A0A087Y0B8_POEFO Loading...

ATP-citrate synthase

Catalyzes the cleavage of citrate into oxaloacetate and acetyl-CoA, the latter serving as common substrate in multiple biochemical reactions in protein, carbohydrate and lipid metabolism.

AlphaFold DB , UniProt , Accession A0A087Y0B8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,091 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
1M55.7Low90.7Very high53 Ų5324.3 Ų24.326%0.26114%0.136SC..  01600-73.2-167.2-77.700109T224 A751M1-T224 HydrophobicContact CB-CG2 3.64Å; M1-T224 WeakPolarHBondContact O-CG2 3.49Å; M1-A751 VanDerWaalsContact O-CB 3.31Å; M1-A751 WeakPolarHBondContact O-CB 3.05Å
2S84.7Confident91.3Very high5 Ų522.3 Ų22.34%0.03512%0.124CC..  trans-151.9177.1-168.764.70000111.9K4 A223S2-K4 PolarHBondContact O-N 3.32Å; S2-A223 VanDerWaalsContact O-CB 3.31Å; S2-A223 WeakPolarHBondContact O-CB 3.46Å; S2-A223 PolarHBondContact O-N 3.38Å; S2-A223 VanDerWaalsContact O-N 3.15Å
3A90.6Very high91.8Very high18 Ų1824.5 Ų24.515%0.14913%0.134CC..EExtended strand (participates in β ladder)trans-51.5121.916000000111.1T198 I221A3-T198 HydrophobicContact CB-CG2 4.1Å; A3-T198 WeakPolarHBondContact CB-OG1 3.39Å; A3-I221 CarbonylContact C-O 3.53Å; A3-I221 WeakPolarHBondContact CA-O 3.24Å
4K92.1Very high92.2Very high70 Ų7023.2 Ų23.230%0.30413%0.126SC..EExtended strand (participates in β ladder)trans-123.5139.8179.4-72.1-172179.7-177.80110.8S2 K220 I221 A223 F238S2-K4 PolarHBondContact O-N 3.32Å; K4-K220 CarbonylContact O-C 3.52Å; K4-K220 WeakPolarHBondContact O-CA 3.35Å; K4-I221 PolarHBondContact N-O 2.91Å; K4-I221 PolarHBondContact O-N 3.49Å; K4-A223 HydrophobicContact CB-CB 4.41Å; K4-A223 HydrophobicContact CD-CB 3.91Å; K4-A223 HydrophobicContact CG-CB 4.07Å; K4-F238 HydrophobicContact CB-CB 4.42Å; K4-F238 HydrophobicContact CB-CD1 3.36Å; K4-F238 HydrophobicContact CB-CE1 3.67Å; K4-F238 HydrophobicContact CB-CG 3.95Å; K4-F238 HydrophobicContact CB-CZ 4.49Å; K4-F238 HydrophobicContact CD-CB 3.93Å; K4-F238 HydrophobicContact CD-CD1 3.83Å; K4-F238 HydrophobicContact CD-CD2 3.73Å; K4-F238 HydrophobicContact CD-CE1 4.23Å; K4-F238 HydrophobicContact CD-CE2 4.15Å; K4-F238 HydrophobicContact CD-CG 3.54Å; K4-F238 HydrophobicContact CD-CZ 4.38Å; K4-F238 HydrophobicContact CG-CD1 4.25Å; K4-F238 HydrophobicContact CG-CG 4.41Å
5A93.7Very high92.5Very high27 Ų2721.7 Ų21.722%0.22312%0.117CC..EExtended strand (participates in β ladder)trans-69.5144.2174.200000110.7L62 A219 K220A5-L62 HydrophobicContact CB-CD1 3.75Å; A5-L62 HydrophobicContact CB-CD2 4.1Å; A5-A219 WeakPolarHBondContact CA-O 3.46Å; A5-K220 HydrophobicContact CB-CG 4.26Å
6I96.4Very high92.8Very high2 Ų220.6 Ų20.61%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-115.6157.9171.457.8173.2000109.2T10 Y14 L62 F197 A219 I221 V236 F238I6-T10 HydrophobicContact CB-CG2 4.22Å; I6-T10 HydrophobicContact CD1-CG2 4.14Å; I6-T10 HydrophobicContact CG2-CG2 4.47Å; I6-Y14 HydrophobicContact CD1-CD2 4.23Å; I6-Y14 HydrophobicContact CD1-CE2 4.36Å; I6-L62 WeakPolarHBondContact O-CD2 3.43Å; I6-F197 HydrophobicContact CD1-CE1 3.93Å; I6-F197 HydrophobicContact CD1-CZ 4.38Å; I6-A219 HydrophobicContact CD1-CB 4.1Å; I6-A219 HydrophobicContact CG1-CB 3.98Å; I6-A219 PolarHBondContact N-O 3.05Å; I6-A219 VanDerWaalsContact N-O 3.14Å; I6-I221 HydrophobicContact CD1-CG2 4.25Å; I6-I221 HydrophobicContact CG2-CD1 3.82Å; I6-I221 HydrophobicContact CG2-CG1 3.93Å; I6-V236 HydrophobicContact CG2-CG2 4.13Å; I6-F238 HydrophobicContact CG2-CD1 4.05Å; I6-F238 HydrophobicContact CG2-CE1 4.04Å
7S96.6Very high93Very high18 Ų1825 Ų2513%0.12613%0.129CC..  trans-63.5159.4174.870.90000111.1Q9 T10 G11 D60S7-Q9 VanDerWaalsContact C-N 3.26Å; S7-Q9 PolarHBondContact O-N 3.31Å; S7-T10 PolarHBondContact O-N 3.32Å; S7-T10 WeakPolarHBondContact OG-CB 3.43Å; S7-T10 PolarHBondContact OG-N 3.42Å; S7-T10 VanDerWaalsContact OG-N 3.11Å; S7-T10 PolarHBondContact OG-OG1 3.33Å; S7-G11 PolarHBondContact O-N 3.22Å; S7-D60 WeakPolarHBondContact CB-OD2 3.37Å
8E97.1Very high93.3Very high6 Ų628.2 Ų28.23%0.02814%0.14CC..Hα-helixtrans-61.3-40.1175.3178.5173.7174.500111G11 K12 K58 D60 R66 L106 D216 M217E8-G11 PolarHBondContact O-N 3.48Å; E8-K12 HydrophobicContact CG-CD 4.09Å; E8-K12 HydrophobicContact CG-CG 4.49Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 PolarHBondContact O-N 3.08Å; E8-K12 VanDerWaalsContact OE1-CE 3.29Å; E8-K12 WeakPolarHBondContact OE1-CE 3.49Å; E8-K12 IonicContact OE1-NZ 3.61Å; E8-K12 PolarHBondContact OE1-NZ 2.77Å; E8-K58 VanDerWaalsContact CD-NZ 3.31Å; E8-K58 WeakPolarHBondContact OE1-CE 3.24Å; E8-K58 IonicContact OE1-NZ 2.91Å; E8-K58 PolarHBondContact OE1-NZ 2.99Å; E8-K58 WeakPolarHBondContact OE2-CE 3.46Å; E8-K58 IonicContact OE2-NZ 2.73Å; E8-K58 PolarHBondContact OE2-NZ 3.32Å; E8-D60 WeakPolarHBondContact CB-OD1 3.45Å; E8-D60 PolarHBondContact N-OD1 3.36Å; E8-D60 PolarHBondContact N-OD2 3.24Å; E8-R66 IonicContact OE2-CZ 2.86Å; E8-R66 IonicContact OE2-NH1 3.4Å; E8-R66 PolarHBondContact OE2-NH1 2.89Å; E8-R66 IonicContact OE2-NH2 2.87Å; E8-R66 PolarHBondContact OE2-NH2 3.35Å; E8-L106 HydrophobicContact CB-CD2 4.49Å; E8-L106 HydrophobicContact CG-CD2 4.14Å; E8-D216 WeakPolarHBondContact OE1-CA 3.28Å; E8-M217 HydrophobicContact CG-CB 4.23Å; E8-M217 WeakPolarHBondContact CG-O 3.29Å; E8-M217 PolarHBondContact OE1-N 3.37Å
9Q97.3Very high93.4Very high44 Ų4427.7 Ų27.721%0.20614%0.138CC..Hα-helixtrans-56-52174.9-178.1-176.9-13.200111.6S7 G11 K12 E13 Y31 D60 L106S7-Q9 VanDerWaalsContact C-N 3.26Å; S7-Q9 PolarHBondContact O-N 3.31Å; Q9-G11 VanDerWaalsContact C-N 3.34Å; Q9-G11 PolarHBondContact O-N 2.72Å; Q9-K12 PolarHBondContact O-N 2.77Å; Q9-E13 WeakPolarHBondContact O-CB 3.47Å; Q9-E13 PolarHBondContact O-N 3.45Å; Q9-Y31 HydrophobicContact CG-CD2 3.84Å; Q9-Y31 HydrophobicContact CG-CE2 3.66Å; Q9-D60 WeakPolarHBondContact CB-OD2 3.33Å; Q9-D60 PolarHBondContact N-OD2 2.89Å; Q9-L106 HydrophobicContact CB-CD1 4.02Å; Q9-L106 HydrophobicContact CG-CD1 4.25Å
10T97.3Very high93.5Very high23 Ų2331.9 Ų31.914%0.14117%0.168CC..Hα-helixtrans-62.4-42.5-179.2-58.90000111.2I6 S7 K12 E13 Y14 V236I6-T10 HydrophobicContact CB-CG2 4.22Å; I6-T10 HydrophobicContact CD1-CG2 4.14Å; I6-T10 HydrophobicContact CG2-CG2 4.47Å; S7-T10 PolarHBondContact O-N 3.32Å; S7-T10 WeakPolarHBondContact OG-CB 3.43Å; S7-T10 PolarHBondContact OG-N 3.42Å; S7-T10 VanDerWaalsContact OG-N 3.11Å; S7-T10 PolarHBondContact OG-OG1 3.33Å; T10-K12 PolarHBondContact O-N 3.38Å; T10-E13 PolarHBondContact O-N 2.92Å; T10-Y14 HydrophobicContact CG2-CD2 4.2Å; T10-Y14 HydrophobicContact CG2-CE1 4.26Å; T10-Y14 HydrophobicContact CG2-CE2 3.64Å; T10-Y14 PolarHBondContact O-N 2.98Å; T10-V236 HydrophobicContact CG2-CG2 4.23Å
11G96.6Very high93.5Very high1 Ų132 Ų321%0.0117%0.17CC..Hα-helixtrans-58.9-48.3175.900000112.3S7 E8 Q9 Y14 L15 M217S7-G11 PolarHBondContact O-N 3.22Å; E8-G11 PolarHBondContact O-N 3.48Å; Q9-G11 VanDerWaalsContact C-N 3.34Å; Q9-G11 PolarHBondContact O-N 2.72Å; G11-Y14 PolarHBondContact O-N 3Å; G11-L15 WeakPolarHBondContact O-CB 3.23Å; G11-L15 PolarHBondContact O-N 2.81Å; G11-M217 WeakPolarHBondContact O-CE 3.2Å; G11-M217 VanDerWaalsContact O-SD 3.4Å
12K97.7Very high95.3Very high0 Ų034.3 Ų34.30%019%0.191CC..Hα-helixtrans-65.1-39.3177.7-79.5179.8169.7171.80112.3E8 Q9 T10 Y14 L15 Y16 E108 V214 L215 M217E8-K12 HydrophobicContact CG-CD 4.09Å; E8-K12 HydrophobicContact CG-CG 4.49Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 PolarHBondContact O-N 3.08Å; E8-K12 VanDerWaalsContact OE1-CE 3.29Å; E8-K12 WeakPolarHBondContact OE1-CE 3.49Å; E8-K12 IonicContact OE1-NZ 3.61Å; E8-K12 PolarHBondContact OE1-NZ 2.77Å; Q9-K12 PolarHBondContact O-N 2.77Å; T10-K12 PolarHBondContact O-N 3.38Å; K12-Y14 PolarHBondContact O-N 2.95Å; K12-L15 PolarHBondContact O-N 2.95Å; K12-Y16 HydrophobicContact CB-CD2 4.29Å; K12-Y16 HydrophobicContact CB-CE2 3.82Å; K12-Y16 HydrophobicContact CG-CE2 4.4Å; K12-Y16 WeakPolarHBondContact O-CB 3.13Å; K12-Y16 WeakPolarHBondContact O-CD2 3.38Å; K12-Y16 PolarHBondContact O-N 2.88Å; K12-E108 WeakPolarHBondContact CD-OE1 3.19Å; K12-E108 IonicContact NZ-OE1 3.59Å; K12-E108 PolarHBondContact NZ-OE1 3.4Å; K12-E108 IonicContact NZ-OE2 3.95Å; K12-E108 PolarHBondContact NZ-OE2 3.38Å; K12-V214 WeakPolarHBondContact CE-O 3.47Å; K12-V214 HydrophobicContact CG-CG1 4.46Å; K12-V214 PolarHBondContact NZ-O 3.48Å; K12-V214 VanDerWaalsContact NZ-O 3.14Å; K12-L215 PolarHBondContact NZ-O 2.89Å; K12-M217 HydrophobicContact CG-CB 4.17Å; K12-M217 HydrophobicContact CG-SD 4.23Å
13E97.3Very high95.6Very high52 Ų5234.3 Ų34.324%0.24319%0.192CC..Hα-helixtrans-59.2-47.3175.6-175.1171168.500111.5Q9 T10 Y16 K17 Y31Q9-E13 WeakPolarHBondContact O-CB 3.47Å; Q9-E13 PolarHBondContact O-N 3.45Å; T10-E13 PolarHBondContact O-N 2.92Å; E13-Y16 PolarHBondContact O-N 2.92Å; E13-K17 HydrophobicContact CG-CD 4.17Å; E13-K17 WeakPolarHBondContact O-CB 3.06Å; E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.42Å; E13-K17 WeakPolarHBondContact OE1-CE 3.21Å; E13-K17 IonicContact OE1-NZ 3.03Å; E13-K17 PolarHBondContact OE1-NZ 3.3Å; E13-Y31 WeakPolarHBondContact CB-OH 3.46Å; E13-Y31 WeakPolarHBondContact CG-OH 3.44Å
14Y97.4Very high95.8Very high6 Ų636.6 Ų36.62%0.02421%0.205CC..Hα-helixtrans-63.1-45.6175.5-69.1-13.6000112.1I6 T10 G11 K12 Y16 K17 Y18 L195 F197 W233 V236I6-Y14 HydrophobicContact CD1-CD2 4.23Å; I6-Y14 HydrophobicContact CD1-CE2 4.36Å; T10-Y14 HydrophobicContact CG2-CD2 4.2Å; T10-Y14 HydrophobicContact CG2-CE1 4.26Å; T10-Y14 HydrophobicContact CG2-CE2 3.64Å; T10-Y14 PolarHBondContact O-N 2.98Å; G11-Y14 PolarHBondContact O-N 3Å; K12-Y14 PolarHBondContact O-N 2.95Å; Y14-Y16 PolarHBondContact O-N 3.38Å; Y14-K17 PolarHBondContact O-N 2.98Å; Y14-Y18 HydrophobicContact CD1-CE2 4.39Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.38Å; Y14-Y18 PolarHBondContact O-N 3.48Å; Y14-L195 HydrophobicContact CD1-CD2 4.48Å; Y14-L195 HydrophobicContact CD2-CD2 4.07Å; Y14-L195 HydrophobicContact CG-CD2 3.87Å; Y14-F197 HydrophobicContact CD2-CZ 4.19Å; Y14-W233 HydrophobicContact CE2-CG 4.42Å; Y14-W233 WeakPolarHBondContact OH-CA 3.42Å; Y14-W233 WeakPolarHBondContact OH-CB 3.39Å; Y14-W233 PolarHBondContact OH-O 3.09Å; Y14-V236 WeakPolarHBondContact OH-CB 3.42Å; Y14-V236 WeakPolarHBondContact OH-CG2 3.3Å
15L97.6Very high96Very high0 Ų034.1 Ų34.10%020%0.196CC..Hα-helixtrans-55.7-52.4175.7-172152.4000110.5G11 K12 K17 Y18 I19 V25 L188 I202 V214 M217G11-L15 WeakPolarHBondContact O-CB 3.23Å; G11-L15 PolarHBondContact O-N 2.81Å; K12-L15 PolarHBondContact O-N 2.95Å; L15-K17 PolarHBondContact O-N 3.35Å; L15-Y18 PolarHBondContact O-N 3.16Å; L15-I19 HydrophobicContact CD2-CB 4.47Å; L15-I19 HydrophobicContact CD2-CD1 4.28Å; L15-I19 HydrophobicContact CD2-CG2 4.08Å; L15-I19 HydrophobicContact CG-CB 4.44Å; L15-I19 HydrophobicContact CG-CD1 4.25Å; L15-I19 WeakPolarHBondContact O-CB 3.28Å; L15-I19 WeakPolarHBondContact O-CG2 3.44Å; L15-I19 PolarHBondContact O-N 2.72Å; L15-V25 HydrophobicContact CD2-CG1 4.49Å; L15-L188 HydrophobicContact CD1-CD1 3.72Å; L15-L188 HydrophobicContact CG-CD1 4.49Å; L15-I202 HydrophobicContact CD1-CD1 3.96Å; L15-V214 HydrophobicContact CD1-CG1 4.44Å; L15-V214 HydrophobicContact CD1-CG2 4.12Å; L15-V214 HydrophobicContact CD2-CG2 4.17Å; L15-M217 HydrophobicContact CB-CE 4.46Å; L15-M217 HydrophobicContact CB-SD 4.34Å; L15-M217 HydrophobicContact CD1-CE 4.35Å; L15-M217 HydrophobicContact CD1-SD 4.12Å
16Y97.3Very high96.1Very high4 Ų435.9 Ų35.92%0.01620%0.199CC..Hα-helixtrans-68.8-30-177.8-60.7-35000113.3K12 E13 Y14 V25 R28 F29 Y31K12-Y16 HydrophobicContact CB-CD2 4.29Å; K12-Y16 HydrophobicContact CB-CE2 3.82Å; K12-Y16 HydrophobicContact CG-CE2 4.4Å; K12-Y16 WeakPolarHBondContact O-CB 3.13Å; K12-Y16 WeakPolarHBondContact O-CD2 3.38Å; K12-Y16 PolarHBondContact O-N 2.88Å; E13-Y16 PolarHBondContact O-N 2.92Å; Y14-Y16 PolarHBondContact O-N 3.38Å; Y16-V25 HydrophobicContact CD1-CG1 4.15Å; Y16-V25 HydrophobicContact CE1-CG1 3.97Å; Y16-R28 HydrophobicContact CD1-CB 4.28Å; Y16-R28 HydrophobicContact CD1-CG 3.83Å; Y16-R28 HydrophobicContact CE1-CG 4.41Å; Y16-R28 HydrophobicContact CG-CB 4.23Å; Y16-R28 HydrophobicContact CG-CG 4.23Å; Y16-R28 PolarHBondContact O-NE 3.48Å; Y16-R28 PolarHBondContact O-NH2 2.78Å; Y16-F29 HydrophobicContact CD2-CD1 4.36Å; Y16-F29 VanDerWaalsContact CD2-N 3.3Å; Y16-Y31 HydrophobicContact CD2-CD1 4.44Å; Y16-Y31 AromaticContact CD2-CE1 3.97Å; Y16-Y31 HydrophobicContact CD2-CE1 3.97Å; Y16-Y31 HydrophobicContact CE2-CD1 4.08Å; Y16-Y31 HydrophobicContact CE2-CE1 4.07Å
17K96.4Very high96.1Very high96 Ų9637.3 Ų37.342%0.41721%0.207SC..Hα-helixtrans-73.2-40.7176-77.2-179.7-174.5174.60112.7E13 Y14 L15 F29E13-K17 HydrophobicContact CG-CD 4.17Å; E13-K17 WeakPolarHBondContact O-CB 3.06Å; E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.42Å; E13-K17 WeakPolarHBondContact OE1-CE 3.21Å; E13-K17 IonicContact OE1-NZ 3.03Å; E13-K17 PolarHBondContact OE1-NZ 3.3Å; Y14-K17 PolarHBondContact O-N 2.98Å; L15-K17 PolarHBondContact O-N 3.35Å; K17-F29 HydrophobicContact CG-CE1 3.78Å; K17-F29 HydrophobicContact CG-CZ 3.76Å
18Y97.1Very high96.1Very high83 Ų8342.2 Ų42.233%0.32522%0.223SC..Hα-helixtrans-118.7-12.7-161.4-58.6-65.8000115.2Y14 L15 C20 L195 K232Y14-Y18 HydrophobicContact CD1-CE2 4.39Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.38Å; Y14-Y18 PolarHBondContact O-N 3.48Å; L15-Y18 PolarHBondContact O-N 3.16Å; Y18-C20 PolarHBondContact O-N 2.93Å; Y18-L195 HydrophobicContact CD2-CD1 4.22Å; Y18-L195 HydrophobicContact CD2-CD2 3.73Å; Y18-L195 HydrophobicContact CE2-CD2 4.24Å; Y18-L195 HydrophobicContact CG-CD1 4.19Å; Y18-L195 HydrophobicContact CG-CD2 4.49Å; Y18-K232 HydrophobicContact CE1-CB 4.48Å; Y18-K232 HydrophobicContact CE1-CG 4.24Å; Y18-K232 HydrophobicContact CE2-CB 4.23Å; Y18-K232 WeakPolarHBondContact OH-CA 3.44Å; Y18-K232 PolarHBondContact OH-O 2.94Å; Y18-K232 VanDerWaalsContact OH-O 3.06Å
19I96.4Very high96Very high19 Ų1946.1 Ų46.110%0.09724%0.24CC..  trans-64.4127.6-179.3-161.4171.5000110.3L15 T21 V25 F184 L188 L191L15-I19 HydrophobicContact CD2-CB 4.47Å; L15-I19 HydrophobicContact CD2-CD1 4.28Å; L15-I19 HydrophobicContact CD2-CG2 4.08Å; L15-I19 HydrophobicContact CG-CB 4.44Å; L15-I19 HydrophobicContact CG-CD1 4.25Å; L15-I19 WeakPolarHBondContact O-CB 3.28Å; L15-I19 WeakPolarHBondContact O-CG2 3.44Å; L15-I19 PolarHBondContact O-N 2.72Å; I19-T21 HydrophobicContact CD1-CG2 4.27Å; I19-T21 HydrophobicContact CG1-CG2 4.2Å; I19-T21 HydrophobicContact CG2-CG2 4.46Å; I19-V25 HydrophobicContact CG2-CG2 4.41Å; I19-F184 HydrophobicContact CD1-CD2 4.04Å; I19-F184 HydrophobicContact CD1-CE2 3.62Å; I19-F184 HydrophobicContact CD1-CZ 4.2Å; I19-L188 HydrophobicContact CD1-CB 4.34Å; I19-L188 HydrophobicContact CD1-CD1 4.27Å; I19-L191 HydrophobicContact CB-CD1 3.9Å; I19-L191 VanDerWaalsContact N-CD1 3.33Å
20C94.9Very high96Very high110 Ų11046.9 Ų46.974%0.74324%0.241SC*.  trans-111.1104.2174.4-167.70000108.8Y18 G187Y18-C20 PolarHBondContact O-N 2.93Å; C20-G187 VanDerWaalsContact O-CA 3.28Å; C20-G187 WeakPolarHBondContact O-CA 3.49Å
21T94.1Very high96Very high36 Ų3646.8 Ų46.822%0.22124%0.238CC..  trans-146.5150.1-178.2179.70000109.9I19 A23 V25 S183 F184I19-T21 HydrophobicContact CD1-CG2 4.27Å; I19-T21 HydrophobicContact CG1-CG2 4.2Å; I19-T21 HydrophobicContact CG2-CG2 4.46Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 HydrophobicContact CG2-CB 4.31Å; T21-A23 WeakPolarHBondContact CG2-O 3.29Å; T21-A23 WeakPolarHBondContact OG1-CB 3.46Å; T21-A23 PolarHBondContact OG1-N 2.78Å; T21-A23 VanDerWaalsContact OG1-N 3.14Å; T21-V25 HydrophobicContact CG2-CG2 3.83Å; T21-S183 VanDerWaalsContact OG1-C 3.23Å; T21-S183 PolarHBondContact OG1-O 3.02Å; T21-S183 PolarHBondContact OG1-OG 3.1Å; T21-F184 HydrophobicContact CG2-CD2 4.41Å; T21-F184 WeakPolarHBondContact OG1-CA 3.37Å; T21-F184 PolarHBondContact OG1-N 3.1Å
22S92.3Very high96Very high100 Ų10046.8 Ų46.870%0.69924%0.238SC*.SBendtrans-80.2-13170.662.40000112.6S183S22-S183 PolarHBondContact N-OG 2.91Å; S22-S183 VanDerWaalsContact N-OG 3.11Å; S22-S183 WeakPolarHBondContact OG-CB 3.47Å; S22-S183 PolarHBondContact OG-OG 2.89Å
23A92.3Very high95.9Very high6 Ų648.9 Ų48.95%0.0525%0.249CC..SBendtrans-68.5127.4173.300000110.4T21 V25 I180 S183 F184 V212T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 HydrophobicContact CG2-CB 4.31Å; T21-A23 WeakPolarHBondContact CG2-O 3.29Å; T21-A23 WeakPolarHBondContact OG1-CB 3.46Å; T21-A23 PolarHBondContact OG1-N 2.78Å; T21-A23 VanDerWaalsContact OG1-N 3.14Å; A23-V25 PolarHBondContact O-N 2.85Å; A23-I180 HydrophobicContact CB-CD1 4.43Å; A23-I180 HydrophobicContact CB-CG1 3.61Å; A23-S183 PolarHBondContact N-OG 3.28Å; A23-F184 HydrophobicContact CB-CB 4.02Å; A23-V212 HydrophobicContact CB-CG2 3.97Å
24P93.8Very high95.8Very high65 Ų6546.4 Ų46.442%0.42224%0.238SC..  trans-68.2103.8176.526.2-32.6000110.1Q26 I180 G211 V212P24-Q26 PolarHBondContact O-N 3.27Å; P24-I180 HydrophobicContact CG-CD1 4.38Å; P24-G211 WeakPolarHBondContact O-CA 3.29Å; P24-V212 PolarHBondContact O-N 3.44Å
25V96.2Very high95.7Very high19 Ų1947.7 Ų47.712%0.11525%0.246CC..BIsolated β-bridgetrans-80.3114.9173.8-176.20000108.8L15 Y16 I19 T21 A23 R28 F184L15-V25 HydrophobicContact CD2-CG1 4.49Å; Y16-V25 HydrophobicContact CD1-CG1 4.15Å; Y16-V25 HydrophobicContact CE1-CG1 3.97Å; I19-V25 HydrophobicContact CG2-CG2 4.41Å; T21-V25 HydrophobicContact CG2-CG2 3.83Å; A23-V25 PolarHBondContact O-N 2.85Å; V25-R28 HydrophobicContact CB-CG 4.4Å; V25-R28 HydrophobicContact CG1-CG 4.14Å; V25-R28 WeakPolarHBondContact O-CG 3.41Å; V25-F184 HydrophobicContact CG2-CD2 4.1Å; V25-F184 HydrophobicContact CG2-CE2 3.95Å
26Q97.1Very high95.3Very high63 Ų6351 Ų5129%0.29427%0.266SS..  trans-89164-176.6-61.3-61.5-20.300111.4P24 R28 D210 V212 Y213P24-Q26 PolarHBondContact O-N 3.27Å; Q26-R28 PolarHBondContact O-N 2.91Å; Q26-R28 VanDerWaalsContact O-N 3.17Å; Q26-D210 PolarHBondContact NE2-O 3Å; Q26-V212 PolarHBondContact N-O 3.41Å; Q26-Y213 HydrophobicContact CB-CD1 3.64Å; Q26-Y213 HydrophobicContact CB-CD2 4.37Å; Q26-Y213 HydrophobicContact CB-CE1 3.26Å; Q26-Y213 HydrophobicContact CB-CE2 4.03Å; Q26-Y213 HydrophobicContact CB-CG 4.19Å; Q26-Y213 VanDerWaalsContact CB-CZ 3.47Å; Q26-Y213 HydrophobicContact CG-CE1 3.98Å; Q26-Y213 HydrophobicContact CG-CE2 3.94Å
27N95.3Very high95.1Very high33 Ų3358 Ų5818%0.17630%0.3CS..SBendtrans55.528.3178.9-67.7-18.7000115.8F29 R30N27-F29 PolarHBondContact O-N 3.3Å; N27-R30 HydrophobicContact CB-CB 4.25Å; N27-R30 HydrophobicContact CB-CG 4.44Å; N27-R30 WeakPolarHBondContact O-CB 3.45Å; N27-R30 PolarHBondContact O-N 3.12Å; N27-R30 VanDerWaalsContact O-N 3.08Å; N27-R30 PolarHBondContact OD1-NH1 3.28Å
28R96.6Very high94.9Very high121 Ų12155.1 Ų55.146%0.45729%0.29SS..THydrogen-bonded Turntrans-56.5129.6176.5-67.6178.370.4-170.93.1111Y16 V25 Q26 R30Y16-R28 HydrophobicContact CD1-CB 4.28Å; Y16-R28 HydrophobicContact CD1-CG 3.83Å; Y16-R28 HydrophobicContact CE1-CG 4.41Å; Y16-R28 HydrophobicContact CG-CB 4.23Å; Y16-R28 HydrophobicContact CG-CG 4.23Å; Y16-R28 PolarHBondContact O-NE 3.48Å; Y16-R28 PolarHBondContact O-NH2 2.78Å; V25-R28 HydrophobicContact CB-CG 4.4Å; V25-R28 HydrophobicContact CG1-CG 4.14Å; V25-R28 WeakPolarHBondContact O-CG 3.41Å; Q26-R28 PolarHBondContact O-N 2.91Å; Q26-R28 VanDerWaalsContact O-N 3.17Å; R28-R30 PolarHBondContact O-N 3.43Å
29F96.3Very high94.8Very high88 Ų8855.5 Ų55.539%0.38630%0.297SS..THydrogen-bonded Turntrans59.718.3-179.1-50.3-69000115Y16 K17 N27 Y31Y16-F29 HydrophobicContact CD2-CD1 4.36Å; Y16-F29 VanDerWaalsContact CD2-N 3.3Å; K17-F29 HydrophobicContact CG-CE1 3.78Å; K17-F29 HydrophobicContact CG-CZ 3.76Å; N27-F29 PolarHBondContact O-N 3.3Å; F29-Y31 HydrophobicContact CD1-CE1 4.42Å; F29-Y31 PolarHBondContact O-N 3.09Å
30R96.7Very high94.6Very high59 Ų5956.9 Ų56.922%0.22330%0.303CS..  trans-96.669.8176.3-54.1-173.879.6-177.715.6110.4N27 R28 W49 E53 P109N27-R30 HydrophobicContact CB-CB 4.25Å; N27-R30 HydrophobicContact CB-CG 4.44Å; N27-R30 WeakPolarHBondContact O-CB 3.45Å; N27-R30 PolarHBondContact O-N 3.12Å; N27-R30 VanDerWaalsContact O-N 3.08Å; N27-R30 PolarHBondContact OD1-NH1 3.28Å; R28-R30 PolarHBondContact O-N 3.43Å; R30-W49 VanDerWaalsContact C-CZ2 3.47Å; R30-W49 HydrophobicContact CB-CD2 4.48Å; R30-W49 HydrophobicContact CB-CZ2 4.23Å; R30-E53 VanDerWaalsContact CZ-CD 3.44Å; R30-E53 IonicContact CZ-OE1 3.53Å; R30-E53 IonicContact CZ-OE2 3.81Å; R30-E53 VanDerWaalsContact NH1-CD 3.28Å; R30-E53 IonicContact NH1-OE1 3.64Å; R30-E53 PolarHBondContact NH1-OE1 2.89Å; R30-E53 IonicContact NH1-OE2 3.75Å; R30-E53 PolarHBondContact NH1-OE2 2.91Å; R30-E53 IonicContact NH2-OE1 3.59Å; R30-E53 PolarHBondContact NH2-OE1 3.19Å; R30-E53 IonicContact NH2-OE2 2.68Å; R30-E53 PolarHBondContact NH2-OE2 2.83Å; R30-P109 HydrophobicContact CB-CG 3.83Å; R30-P109 WeakPolarHBondContact O-CD 3.41Å
31Y96.7Very high94.5Very high22 Ų2258.4 Ų58.49%0.08630%0.299CS..  trans-138.8150.4170.953-100.3000108.9Q9 E13 Y16 F29 H47 L106 I107Q9-Y31 HydrophobicContact CG-CD2 3.84Å; Q9-Y31 HydrophobicContact CG-CE2 3.66Å; E13-Y31 WeakPolarHBondContact CB-OH 3.46Å; E13-Y31 WeakPolarHBondContact CG-OH 3.44Å; Y16-Y31 HydrophobicContact CD2-CD1 4.44Å; Y16-Y31 AromaticContact CD2-CE1 3.97Å; Y16-Y31 HydrophobicContact CD2-CE1 3.97Å; Y16-Y31 HydrophobicContact CE2-CD1 4.08Å; Y16-Y31 HydrophobicContact CE2-CE1 4.07Å; F29-Y31 HydrophobicContact CD1-CE1 4.42Å; F29-Y31 PolarHBondContact O-N 3.09Å; Y31-H47 PolarHBondContact O-CD2 2.92Å; Y31-L106 HydrophobicContact CD2-CD1 4.32Å; Y31-L106 HydrophobicContact CG-CD1 4.42Å; Y31-I107 CarbonylContact C-O 3.5Å; Y31-I107 VanDerWaalsContact CA-O 3.27Å; Y31-I107 WeakPolarHBondContact CA-O 3.2Å
32A96.6Very high94.5Very high1 Ų164.2 Ų64.21%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-136.5128.2177.800000109.4L43 W49 L50 I107A32-L43 HydrophobicContact CB-CD1 4.13Å; A32-L43 HydrophobicContact CB-CD2 4.37Å; A32-L43 HydrophobicContact CB-CG 4.34Å; A32-W49 HydrophobicContact CB-CH2 4.42Å; A32-W49 HydrophobicContact CB-CZ2 4.28Å; A32-L50 HydrophobicContact CB-CD1 4.14Å; A32-L50 HydrophobicContact CB-CD2 4.3Å; A32-I107 HydrophobicContact CB-CB 4.39Å; A32-I107 PolarHBondContact N-O 3.09Å; A32-I107 PolarHBondContact O-N 3.46Å
33N95.6Very high94.6Very high43 Ų4360 Ų6023%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-87.9142.4179.6-166.215.5000110.9N104 F105N33-N104 VanDerWaalsContact CG-OD1 3.25Å; N33-N104 PolarHBondContact ND2-OD1 3.13Å; N33-N104 PolarHBondContact OD1-ND2 2.91Å; N33-N104 PolarHBondContact OD1-OD1 3.12Å; N33-F105 CarbonylContact C-O 3.58Å; N33-F105 WeakPolarHBondContact CA-O 3.49Å; N33-F105 PolarHBondContact OD1-O 2.68Å
34V95.9Very high94.7Very high0 Ų061 Ų610%029%0.292CS..EExtended strand (participates in β ladder)trans-130.5122177.7-176.80000110.4T38 F40 L43 L85 F105 I107V34-T38 HydrophobicContact CG1-CG2 4.26Å; V34-T38 HydrophobicContact CG2-CG2 4.46Å; V34-F40 HydrophobicContact CG1-CE2 4.38Å; V34-F40 HydrophobicContact CG1-CZ 3.95Å; V34-F40 HydrophobicContact CG2-CZ 4.48Å; V34-L43 HydrophobicContact CG2-CD2 3.91Å; V34-L85 HydrophobicContact CB-CD1 4.46Å; V34-L85 HydrophobicContact CG1-CD1 3.98Å; V34-F105 HydrophobicContact CB-CB 4.41Å; V34-F105 PolarHBondContact N-O 2.69Å; V34-F105 PolarHBondContact O-N 3.4Å; V34-I107 HydrophobicContact CG2-CD1 3.43Å; V34-I107 VanDerWaalsContact CG2-CD1 3.43Å; V34-I107 HydrophobicContact CG2-CG1 4.02Å
35T94.3Very high94.7Very high33 Ų3364.9 Ų64.920%0.20231%0.305CS..  trans-122.2-177.217472.60000110.7E37 T38 K103 N104T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 WeakPolarHBondContact CB-OE2 3.45Å; T35-E37 PolarHBondContact O-N 2.98Å; T35-E37 PolarHBondContact OG1-N 3.36Å; T35-E37 PolarHBondContact OG1-OE2 2.86Å; T35-T38 PolarHBondContact N-OG1 3.15Å; T35-T38 WeakPolarHBondContact O-CB 3.27Å; T35-T38 PolarHBondContact O-N 3.23Å; T35-T38 PolarHBondContact O-OG1 3Å; T35-T38 PolarHBondContact OG1-OG1 2.88Å; T35-K103 WeakPolarHBondContact CA-O 3.44Å; T35-N104 WeakPolarHBondContact CG2-OD1 3.42Å
36T89.8Confident94.6Very high69 Ų6968.9 Ų68.942%0.42332%0.322SS..THydrogen-bonded Turntrans-62.5-29.7172.229.30000114.3T38 L89 M90T36-T38 VanDerWaalsContact C-N 3.31Å; T36-L89 HydrophobicContact CG2-CD2 4.49Å; T36-L89 HydrophobicContact CG2-CG 4.4Å; T36-M90 HydrophobicContact CG2-CE 4.42Å; T36-M90 HydrophobicContact CG2-CG 3.16Å; T36-M90 HydrophobicContact CG2-SD 3.42Å; T36-M90 WeakPolarHBondContact CG2-SD 3.29Å
37E92.1Very high94.5Very high153 Ų15367.8 Ų67.872%0.71532%0.317SS*.THydrogen-bonded Turntrans-88.80.7-178.3-51.573.6-14500112.6T35 D39T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 WeakPolarHBondContact CB-OE2 3.45Å; T35-E37 PolarHBondContact O-N 2.98Å; T35-E37 PolarHBondContact OG1-N 3.36Å; T35-E37 PolarHBondContact OG1-OE2 2.86Å; E37-D39 PolarHBondContact O-N 3.31Å
38T93.8Very high94.6Very high35 Ų3570 Ų7022%0.21533%0.333CS..  trans-71.7117.9-172.7-64.10000112.1V34 T35 T36 F40 L43V34-T38 HydrophobicContact CG1-CG2 4.26Å; V34-T38 HydrophobicContact CG2-CG2 4.46Å; T35-T38 PolarHBondContact N-OG1 3.15Å; T35-T38 WeakPolarHBondContact O-CB 3.27Å; T35-T38 PolarHBondContact O-N 3.23Å; T35-T38 PolarHBondContact O-OG1 3Å; T35-T38 PolarHBondContact OG1-OG1 2.88Å; T36-T38 VanDerWaalsContact C-N 3.31Å; T38-F40 PolarHBondContact O-N 3.22Å; T38-L43 HydrophobicContact CG2-CB 4.34Å; T38-L43 HydrophobicContact CG2-CD1 4.37Å; T38-L43 HydrophobicContact CG2-CD2 4.01Å; T38-L43 HydrophobicContact CG2-CG 4.48Å
39D94.5Very high94.5Very high90 Ų9065.7 Ų65.748%0.48132%0.317SS..  trans-83109.2165.5179.7-1.7000109.9E37 Q41 R42 L43E37-D39 PolarHBondContact O-N 3.31Å; D39-Q41 PolarHBondContact O-N 3.36Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.41Å; D39-Q41 PolarHBondContact OD1-N 3.38Å; D39-R42 HydrophobicContact CB-CB 4.15Å; D39-R42 PolarHBondContact O-N 3.35Å; D39-L43 WeakPolarHBondContact O-CB 3.41Å; D39-L43 PolarHBondContact O-N 3.37Å
40F92.6Very high94.5Very high49 Ų4961.5 Ų61.522%0.21530%0.299CS..Hα-helixtrans-62.4-26.3179.1-82.3-88.6000113.8V34 T38 L43 T44 L78 K82 L85V34-F40 HydrophobicContact CG1-CE2 4.38Å; V34-F40 HydrophobicContact CG1-CZ 3.95Å; V34-F40 HydrophobicContact CG2-CZ 4.48Å; T38-F40 PolarHBondContact O-N 3.22Å; F40-L43 HydrophobicContact CD1-CD2 4.27Å; F40-L43 HydrophobicContact CE1-CD2 4.43Å; F40-T44 WeakPolarHBondContact O-CG2 3.31Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 VanDerWaalsContact O-N 3.08Å; F40-T44 PolarHBondContact O-OG1 2.85Å; F40-T44 VanDerWaalsContact O-OG1 3.1Å; F40-L78 HydrophobicContact CD1-CD1 4.31Å; F40-L78 HydrophobicContact CE1-CD1 4.38Å; F40-K82 HydrophobicContact CD1-CD 4.3Å; F40-K82 HydrophobicContact CD1-CG 4.07Å; F40-K82 HydrophobicContact CE1-CD 4.46Å; F40-K82 HydrophobicContact CE1-CG 3.73Å; F40-K82 HydrophobicContact CE2-CG 4.46Å; F40-K82 HydrophobicContact CZ-CG 3.95Å; F40-L85 HydrophobicContact CZ-CD1 4.14Å
41Q92.2Very high94.4Very high142 Ų14264.3 Ų64.366%0.66432%0.317SS*.Hα-helixtrans-66.9-52.3175.9-66.3-172.70.700109.9D39 L43 T44 Q45D39-Q41 PolarHBondContact O-N 3.36Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.41Å; D39-Q41 PolarHBondContact OD1-N 3.38Å; Q41-L43 VanDerWaalsContact C-N 3.32Å; Q41-L43 PolarHBondContact O-N 3.11Å; Q41-T44 PolarHBondContact O-N 3.22Å; Q41-T44 PolarHBondContact O-OG1 2.61Å; Q41-Q45 WeakPolarHBondContact O-CG 3.32Å; Q41-Q45 PolarHBondContact O-N 3.43Å; Q41-Q45 VanDerWaalsContact O-N 3.11Å
42R94Very high94.2Very high157 Ų15768.7 Ų68.759%0.59235%0.346SS*.Hα-helixtrans-58.3-44.2174.4-176.4178.3170.6-179.4-3.4111.8D39 T44 Q45 E46D39-R42 HydrophobicContact CB-CB 4.15Å; D39-R42 PolarHBondContact O-N 3.35Å; R42-T44 VanDerWaalsContact C-N 3.28Å; R42-T44 PolarHBondContact O-N 3Å; R42-Q45 WeakPolarHBondContact O-CB 3.36Å; R42-Q45 PolarHBondContact O-N 3.08Å; R42-E46 HydrophobicContact CG-CG 4.5Å; R42-E46 IonicContact CZ-OE1 3.82Å; R42-E46 IonicContact NE-OE1 3.96Å; R42-E46 PolarHBondContact NE-OE1 2.86Å; R42-E46 IonicContact NH2-OE1 3.18Å; R42-E46 PolarHBondContact NH2-OE1 3.26Å; R42-E46 VanDerWaalsContact NH2-OE1 3.08Å; R42-E46 PolarHBondContact O-N 3.39Å
43L93.8Very high94.1Very high12 Ų1271.5 Ų71.56%0.06336%0.36CS..Hα-helixtrans-57.1-42178.7-166.672.9000112A32 V34 T38 D39 F40 Q41 E46 H47 L50A32-L43 HydrophobicContact CB-CD1 4.13Å; A32-L43 HydrophobicContact CB-CD2 4.37Å; A32-L43 HydrophobicContact CB-CG 4.34Å; V34-L43 HydrophobicContact CG2-CD2 3.91Å; T38-L43 HydrophobicContact CG2-CB 4.34Å; T38-L43 HydrophobicContact CG2-CD1 4.37Å; T38-L43 HydrophobicContact CG2-CD2 4.01Å; T38-L43 HydrophobicContact CG2-CG 4.48Å; D39-L43 WeakPolarHBondContact O-CB 3.41Å; D39-L43 PolarHBondContact O-N 3.37Å; F40-L43 HydrophobicContact CD1-CD2 4.27Å; F40-L43 HydrophobicContact CE1-CD2 4.43Å; Q41-L43 VanDerWaalsContact C-N 3.32Å; Q41-L43 PolarHBondContact O-N 3.11Å; L43-E46 PolarHBondContact O-N 3.47Å; L43-H47 WeakPolarHBondContact O-CB 3.48Å; L43-H47 PolarHBondContact O-N 3.37Å; L43-H47 PolarHBondContact O-ND1 2.85Å; L43-H47 VanDerWaalsContact O-ND1 3.14Å; L43-L50 HydrophobicContact CD2-CD1 4.02Å; L43-L50 HydrophobicContact CG-CD1 3.94Å
44T94.1Very high94.2Very high26 Ų2674.5 Ų74.516%0.1637%0.368CS..Hα-helixtrans-73.2-24.5177550000114.2F40 Q41 R42 H47 P48 L50 L51 L78F40-T44 WeakPolarHBondContact O-CG2 3.31Å; F40-T44 PolarHBondContact O-N 3.37Å; F40-T44 VanDerWaalsContact O-N 3.08Å; F40-T44 PolarHBondContact O-OG1 2.85Å; F40-T44 VanDerWaalsContact O-OG1 3.1Å; Q41-T44 PolarHBondContact O-N 3.22Å; Q41-T44 PolarHBondContact O-OG1 2.61Å; R42-T44 VanDerWaalsContact C-N 3.28Å; R42-T44 PolarHBondContact O-N 3Å; T44-H47 CarbonylContact O-C 3.52Å; T44-P48 WeakPolarHBondContact O-CA 3.37Å; T44-L50 HydrophobicContact CG2-CB 4.44Å; T44-L50 HydrophobicContact CG2-CD1 4.4Å; T44-L51 HydrophobicContact CG2-CD2 3.99Å; T44-L51 HydrophobicContact CG2-CG 4.31Å; T44-L78 HydrophobicContact CG2-CD2 3.42Å; T44-L78 VanDerWaalsContact CG2-CD2 3.42Å
45Q93.8Very high94.3Very high148 Ų14874.5 Ų74.569%0.69237%0.368SS*.Hα-helixtrans-72.3-42.7171.8-69.91754.700111Q41 R42Q41-Q45 WeakPolarHBondContact O-CG 3.32Å; Q41-Q45 PolarHBondContact O-N 3.43Å; Q41-Q45 VanDerWaalsContact O-N 3.11Å; R42-Q45 WeakPolarHBondContact O-CB 3.36Å; R42-Q45 PolarHBondContact O-N 3.08Å
46E94.4Very high94.5Very high103 Ų10374 Ų7448%0.48137%0.365SS..Hα-helixtrans-71.3-31.9177.1-68175.7179.800111.8R42 L43R42-E46 HydrophobicContact CG-CG 4.5Å; R42-E46 IonicContact CZ-OE1 3.82Å; R42-E46 IonicContact NE-OE1 3.96Å; R42-E46 PolarHBondContact NE-OE1 2.86Å; R42-E46 IonicContact NH2-OE1 3.18Å; R42-E46 PolarHBondContact NH2-OE1 3.26Å; R42-E46 VanDerWaalsContact NH2-OE1 3.08Å; R42-E46 PolarHBondContact O-N 3.39Å; L43-E46 PolarHBondContact O-N 3.47Å
47H96.4Very high94.9Very high39 Ų3970.8 Ų70.818%0.18135%0.345CS..  trans-128.474.2-177.6-50.386.3000111.9Y31 L43 T44 W49 L50Y31-H47 PolarHBondContact O-CD2 2.92Å; L43-H47 WeakPolarHBondContact O-CB 3.48Å; L43-H47 PolarHBondContact O-N 3.37Å; L43-H47 PolarHBondContact O-ND1 2.85Å; L43-H47 VanDerWaalsContact O-ND1 3.14Å; T44-H47 CarbonylContact O-C 3.52Å; H47-W49 HydrophobicContact CB-CZ2 4.26Å; H47-W49 PolarHBondContact O-N 2.65Å; H47-L50 HydrophobicContact CB-CD1 3.78Å; H47-L50 HydrophobicContact CB-CG 3.98Å; H47-L50 WeakPolarHBondContact O-CB 3.35Å; H47-L50 WeakPolarHBondContact O-CG 3.48Å; H47-L50 PolarHBondContact O-N 2.96Å; H47-L50 VanDerWaalsContact O-N 3.12Å
48P95.5Very high95.1Very high81 Ų8164 Ų6453%0.52631%0.313SS..G310 helixtrans-59.7-25.6-174.4-26.535.3000114.7T44 L50 L51T44-P48 WeakPolarHBondContact O-CA 3.37Å; P48-L50 PolarHBondContact O-N 3.08Å; P48-L51 PolarHBondContact O-N 3.25Å; P48-L51 VanDerWaalsContact O-N 3.17Å
49W96.3Very high95.2Very high29 Ų2962.3 Ų62.311%0.1130%0.303CS..G310 helixtrans-63.8-19.4179.456.6-94.2000114.3R30 A32 H47 L51 T52 E53 L55 P109R30-W49 VanDerWaalsContact C-CZ2 3.47Å; R30-W49 HydrophobicContact CB-CD2 4.48Å; R30-W49 HydrophobicContact CB-CZ2 4.23Å; A32-W49 HydrophobicContact CB-CH2 4.42Å; A32-W49 HydrophobicContact CB-CZ2 4.28Å; H47-W49 HydrophobicContact CB-CZ2 4.26Å; H47-W49 PolarHBondContact O-N 2.65Å; W49-L51 PolarHBondContact O-N 3.35Å; W49-L51 VanDerWaalsContact O-N 3.17Å; W49-T52 PolarHBondContact O-N 3.11Å; W49-T52 PolarHBondContact O-OG1 3.36Å; W49-E53 PolarHBondContact O-N 3.31Å; W49-L55 HydrophobicContact CE3-CD2 4.08Å; W49-L55 HydrophobicContact CZ3-CD2 3.73Å; W49-P109 HydrophobicContact CE3-CG 3.81Å; W49-P109 HydrophobicContact CH2-CG 4.41Å; W49-P109 VanDerWaalsContact CZ3-CD 3.49Å; W49-P109 HydrophobicContact CZ3-CG 3.71Å
50L95.6Very high95.3Very high1 Ų158.4 Ų58.41%0.00528%0.282CS..G310 helixtrans-58.3-25.7174-70.2174.1000112.7A32 L43 T44 H47 P48 L55 L78 I107A32-L50 HydrophobicContact CB-CD1 4.14Å; A32-L50 HydrophobicContact CB-CD2 4.3Å; L43-L50 HydrophobicContact CD2-CD1 4.02Å; L43-L50 HydrophobicContact CG-CD1 3.94Å; T44-L50 HydrophobicContact CG2-CB 4.44Å; T44-L50 HydrophobicContact CG2-CD1 4.4Å; H47-L50 HydrophobicContact CB-CD1 3.78Å; H47-L50 HydrophobicContact CB-CG 3.98Å; H47-L50 WeakPolarHBondContact O-CB 3.35Å; H47-L50 WeakPolarHBondContact O-CG 3.48Å; H47-L50 PolarHBondContact O-N 2.96Å; H47-L50 VanDerWaalsContact O-N 3.12Å; P48-L50 PolarHBondContact O-N 3.08Å; L50-L55 HydrophobicContact CD2-CD1 4.09Å; L50-L55 HydrophobicContact CD2-CD2 4.11Å; L50-L78 HydrophobicContact CB-CD1 4.44Å; L50-L78 HydrophobicContact CB-CD2 4.5Å; L50-I107 HydrophobicContact CD2-CB 4.37Å; L50-I107 HydrophobicContact CD2-CG2 3.64Å
51L94.9Very high95.4Very high117 Ų11757.9 Ų57.961%0.61328%0.28SS*.G310 helixtrans-87.9-24.1-177.6-61.6174.9000113.4T44 P48 W49 L78T44-L51 HydrophobicContact CG2-CD2 3.99Å; T44-L51 HydrophobicContact CG2-CG 4.31Å; P48-L51 PolarHBondContact O-N 3.25Å; P48-L51 VanDerWaalsContact O-N 3.17Å; W49-L51 PolarHBondContact O-N 3.35Å; W49-L51 VanDerWaalsContact O-N 3.17Å; L51-L78 HydrophobicContact CD2-CD2 3.68Å
52T92.8Very high95.5Very high114 Ų11453.7 Ų53.770%0.69926%0.262SS*.THydrogen-bonded Turntrans-103-23.9-169.953.80000113.3W49W49-T52 PolarHBondContact O-N 3.11Å; W49-T52 PolarHBondContact O-OG1 3.36Å
53E94.2Very high95.3Very high61 Ų6146.5 Ų46.529%0.28524%0.235SC..SBendtrans-110.3160-172.1-62.7-169.7171.100113R30 W49 P109R30-E53 VanDerWaalsContact CZ-CD 3.44Å; R30-E53 IonicContact CZ-OE1 3.53Å; R30-E53 IonicContact CZ-OE2 3.81Å; R30-E53 VanDerWaalsContact NH1-CD 3.28Å; R30-E53 IonicContact NH1-OE1 3.64Å; R30-E53 PolarHBondContact NH1-OE1 2.89Å; R30-E53 IonicContact NH1-OE2 3.75Å; R30-E53 PolarHBondContact NH1-OE2 2.91Å; R30-E53 IonicContact NH2-OE1 3.59Å; R30-E53 PolarHBondContact NH2-OE1 3.19Å; R30-E53 IonicContact NH2-OE2 2.68Å; R30-E53 PolarHBondContact NH2-OE2 2.83Å; W49-E53 PolarHBondContact O-N 3.31Å; E53-P109 VanDerWaalsContact OE2-CB 3.32Å; E53-P109 WeakPolarHBondContact OE2-CB 3.45Å; E53-P109 WeakPolarHBondContact OE2-CG 3.29Å
54R97.6Very high95Very high105 Ų10552.4 Ų52.440%0.39626%0.26SS..  trans-76.5148.5163.1-58.7-61.6-72.6-177.4-2.4108.6N75 L76 D77 F110R54-N75 WeakPolarHBondContact CB-OD1 3.47Å; R54-N75 VanDerWaalsContact CG-OD1 3.31Å; R54-N75 WeakPolarHBondContact CG-OD1 3.28Å; R54-N75 PolarHBondContact NE-O 3.45Å; R54-N75 PolarHBondContact NE-OD1 2.94Å; R54-N75 PolarHBondContact NH2-O 3.41Å; R54-L76 CarbonylContact C-O 3.4Å; R54-L76 WeakPolarHBondContact CA-O 3.1Å; R54-D77 IonicContact NH1-OD2 2.73Å; R54-D77 PolarHBondContact NH1-OD2 3.04Å; R54-F110 HydrophobicContact CB-CB 3.99Å; R54-F110 HydrophobicContact CB-CD1 4.3Å; R54-F110 WeakPolarHBondContact O-CB 3.3Å; R54-F110 PolarHBondContact O-N 2.84Å
55L97.9Very high94.7Very high0 Ų060.7 Ų60.70%029%0.288CS..EExtended strand (participates in β ladder)trans-127.7158.2-164.2-52.8176000111.2W49 L50 N75 L76 L78 V81 I107 E108W49-L55 HydrophobicContact CE3-CD2 4.08Å; W49-L55 HydrophobicContact CZ3-CD2 3.73Å; L50-L55 HydrophobicContact CD2-CD1 4.09Å; L50-L55 HydrophobicContact CD2-CD2 4.11Å; L55-N75 WeakPolarHBondContact O-CA 3.43Å; L55-N75 PolarHBondContact O-N 3.22Å; L55-L76 WeakPolarHBondContact CB-O 3.38Å; L55-L76 PolarHBondContact N-O 3.31Å; L55-L76 PolarHBondContact O-N 3.14Å; L55-L78 HydrophobicContact CD1-CB 4.2Å; L55-L78 HydrophobicContact CD1-CD1 4.37Å; L55-V81 HydrophobicContact CB-CG2 3.87Å; L55-V81 HydrophobicContact CD1-CG2 3.9Å; L55-I107 HydrophobicContact CB-CG2 4.1Å; L55-I107 HydrophobicContact CD1-CG2 4.02Å; L55-I107 HydrophobicContact CD2-CG2 4.29Å; L55-I107 HydrophobicContact CG-CG2 4.37Å; L55-E108 CarbonylContact C-O 3.53Å; L55-E108 WeakPolarHBondContact CA-O 3.49Å
56V97.8Very high94.5Very high24 Ų2454.7 Ų54.715%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-120.6139.2166.4177.10000107.6V72 G73 V74 I107 E108 F110V56-V72 HydrophobicContact CG1-CG1 3.7Å; V56-G73 CarbonylContact C-O 3.57Å; V56-G73 WeakPolarHBondContact CA-O 3.42Å; V56-V74 HydrophobicContact CG2-CG1 4.36Å; V56-I107 CarbonylContact O-C 3.53Å; V56-I107 VanDerWaalsContact O-CA 3.31Å; V56-I107 WeakPolarHBondContact O-CA 3.45Å; V56-E108 PolarHBondContact N-O 3.49Å; V56-E108 PolarHBondContact O-N 2.9Å; V56-F110 HydrophobicContact CG2-CB 3.99Å; V56-F110 HydrophobicContact CG2-CD2 3.84Å; V56-F110 HydrophobicContact CG2-CG 4.43Å
57V97.8Very high94.2Very high0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-128.7134.8175.560.10000110.4V72 G73 L76 V81 W84 L85 F105 L106 I107V57-V72 CarbonylContact O-C 3.53Å; V57-V72 WeakPolarHBondContact O-CA 3.28Å; V57-G73 PolarHBondContact N-O 3.03Å; V57-G73 PolarHBondContact O-N 3.28Å; V57-L76 HydrophobicContact CG1-CD1 4.32Å; V57-V81 HydrophobicContact CB-CG1 3.93Å; V57-V81 HydrophobicContact CB-CG2 4.36Å; V57-V81 HydrophobicContact CG1-CG1 4.11Å; V57-V81 HydrophobicContact CG1-CG2 4.25Å; V57-V81 HydrophobicContact CG2-CG1 4.06Å; V57-W84 HydrophobicContact CB-CE3 4.49Å; V57-W84 HydrophobicContact CG1-CD2 3.79Å; V57-W84 HydrophobicContact CG1-CE3 3.45Å; V57-W84 VanDerWaalsContact CG1-CE3 3.45Å; V57-W84 HydrophobicContact CG1-CG 4.3Å; V57-W84 HydrophobicContact CG1-CH2 4.49Å; V57-W84 HydrophobicContact CG1-CZ3 3.84Å; V57-W84 HydrophobicContact CG2-CE3 4.24Å; V57-W84 HydrophobicContact CG2-CZ3 4.12Å; V57-L85 HydrophobicContact CG2-CD1 4.44Å; V57-L85 HydrophobicContact CG2-CD2 3.94Å; V57-L85 HydrophobicContact CG2-CG 4.24Å; V57-F105 HydrophobicContact CG2-CB 4.24Å; V57-F105 HydrophobicContact CG2-CD1 4.26Å; V57-L106 WeakPolarHBondContact CA-O 3.26Å; V57-I107 HydrophobicContact CB-CG1 4.3Å; V57-I107 HydrophobicContact CG2-CG1 4Å
58K97.1Very high93.8Very high11 Ų1155.7 Ų55.75%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-152.1149.9-177.756.4-175.2171.91750111.5E8 V72 F105 L106 E108 L215 D216E8-K58 VanDerWaalsContact CD-NZ 3.31Å; E8-K58 WeakPolarHBondContact OE1-CE 3.24Å; E8-K58 IonicContact OE1-NZ 2.91Å; E8-K58 PolarHBondContact OE1-NZ 2.99Å; E8-K58 WeakPolarHBondContact OE2-CE 3.46Å; E8-K58 IonicContact OE2-NZ 2.73Å; E8-K58 PolarHBondContact OE2-NZ 3.32Å; K58-V72 HydrophobicContact CB-CG1 4.41Å; K58-V72 HydrophobicContact CB-CG2 4.12Å; K58-F105 CarbonylContact O-C 3.52Å; K58-F105 WeakPolarHBondContact O-CA 3.37Å; K58-L106 PolarHBondContact N-O 3.31Å; K58-L106 PolarHBondContact O-N 2.92Å; K58-E108 WeakPolarHBondContact CE-OE2 3.49Å; K58-E108 IonicContact NZ-OE2 3.7Å; K58-E108 PolarHBondContact NZ-OE2 3.33Å; K58-L215 PolarHBondContact NZ-O 3.29Å; K58-D216 IonicContact NZ-OD1 3.17Å; K58-D216 PolarHBondContact NZ-OD1 3.16Å
59P96.7Very high93.5Very high0 Ų055.5 Ų55.50%027%0.268CS..EExtended strand (participates in β ladder)trans-70.9138.4176.728.8-33.2000110.7I63 R66 L71 L102 N104 F105P59-I63 HydrophobicContact CB-CD1 4.22Å; P59-I63 HydrophobicContact CG-CD1 4.09Å; P59-R66 HydrophobicContact CG-CG 4.27Å; P59-R66 WeakPolarHBondContact O-CD 3.44Å; P59-R66 PolarHBondContact O-NH1 2.94Å; P59-L71 WeakPolarHBondContact CD-O 3.21Å; P59-L71 HydrophobicContact CG-CB 4.01Å; P59-L71 HydrophobicContact CG-CD1 4.3Å; P59-L102 HydrophobicContact CB-CD2 4.08Å; P59-L102 HydrophobicContact CG-CD2 4.43Å; P59-N104 WeakPolarHBondContact CA-O 3.18Å; P59-F105 HydrophobicContact CB-CD1 4.03Å; P59-F105 HydrophobicContact CB-CE1 3.89Å; P59-F105 HydrophobicContact CB-CZ 4.41Å; P59-F105 HydrophobicContact CG-CE1 4.39Å
60D96.5Very high93.4Very high8 Ų856.2 Ų56.24%0.04328%0.284CS..  trans-11576.7175.6-172.312000109.8S7 E8 Q9 N104 L106S7-D60 WeakPolarHBondContact CB-OD2 3.37Å; E8-D60 WeakPolarHBondContact CB-OD1 3.45Å; E8-D60 PolarHBondContact N-OD1 3.36Å; E8-D60 PolarHBondContact N-OD2 3.24Å; Q9-D60 WeakPolarHBondContact CB-OD2 3.33Å; Q9-D60 PolarHBondContact N-OD2 2.89Å; D60-N104 PolarHBondContact N-O 3.22Å; D60-N104 PolarHBondContact O-ND2 3.16Å; D60-N104 VanDerWaalsContact O-ND2 3.08Å; D60-L106 HydrophobicContact CB-CB 4.19Å
61Q94.5Very high93.3Very high37 Ų3756.9 Ų56.917%0.17329%0.287CS..SBendtrans-140.438.3-177.7-68.8-179.3-106.400111I63 I101 L102 N104 F242Q61-I63 HydrophobicContact CB-CG1 4.41Å; Q61-I63 PolarHBondContact O-N 3.43Å; Q61-I63 VanDerWaalsContact O-N 3.13Å; Q61-I101 PolarHBondContact NE2-O 2.88Å; Q61-L102 VanDerWaalsContact OE1-CA 3.23Å; Q61-N104 HydrophobicContact CG-CB 3.94Å; Q61-F242 HydrophobicContact CB-CD2 4.25Å
62L93.1Very high93.4Very high54 Ų5453.2 Ų53.228%0.28327%0.27SS..SBendtrans58.124.6-177.6-51.1-176.7000114.6A5 I6 K64 P239A5-L62 HydrophobicContact CB-CD1 3.75Å; A5-L62 HydrophobicContact CB-CD2 4.1Å; I6-L62 WeakPolarHBondContact O-CD2 3.43Å; L62-K64 PolarHBondContact O-N 2.91Å; L62-P239 HydrophobicContact CD1-CB 4.41Å; L62-P239 HydrophobicContact CD1-CG 4.03Å; L62-P239 WeakPolarHBondContact CD1-O 3.46Å; L62-P239 HydrophobicContact CD2-CG 4.04Å; L62-P239 HydrophobicContact CG-CB 4.46Å; L62-P239 HydrophobicContact CG-CG 4.01Å
63I91.2Very high93.6Very high6 Ų648 Ų483%0.03124%0.239CC..  trans-79.8119.2176.5-59.5174.8000108.8P59 Q61 R66 L69 L71 V95 L102 F242P59-I63 HydrophobicContact CB-CD1 4.22Å; P59-I63 HydrophobicContact CG-CD1 4.09Å; Q61-I63 HydrophobicContact CB-CG1 4.41Å; Q61-I63 PolarHBondContact O-N 3.43Å; Q61-I63 VanDerWaalsContact O-N 3.13Å; I63-R66 HydrophobicContact CB-CG 4Å; I63-R66 HydrophobicContact CG2-CG 3.78Å; I63-R66 WeakPolarHBondContact O-CD 3.47Å; I63-R66 VanDerWaalsContact O-CG 3.25Å; I63-R66 WeakPolarHBondContact O-CG 3.42Å; I63-R66 PolarHBondContact O-NE 3.41Å; I63-L69 HydrophobicContact CG2-CD1 4Å; I63-L71 HydrophobicContact CD1-CD1 4.45Å; I63-L71 HydrophobicContact CG2-CD1 4.37Å; I63-V95 HydrophobicContact CG2-CG1 4.24Å; I63-V95 HydrophobicContact CG2-CG2 4.15Å; I63-L102 HydrophobicContact CD1-CD2 3.55Å; I63-F242 HydrophobicContact CD1-CD2 3.65Å; I63-F242 HydrophobicContact CD1-CE2 3.71Å; I63-F242 HydrophobicContact CD1-CG 4.13Å; I63-F242 HydrophobicContact CD1-CZ 4.23Å; I63-F242 HydrophobicContact CG1-CB 4.05Å; I63-F242 HydrophobicContact CG1-CD1 4.41Å; I63-F242 HydrophobicContact CG1-CD2 3.7Å; I63-F242 HydrophobicContact CG1-CE2 4.28Å; I63-F242 HydrophobicContact CG1-CG 3.77Å
64K87.6Confident93.7Very high137 Ų13748.9 Ų48.960%0.59625%0.248SC*.SBendtrans-85.2158.7172.4-64.4-172.5177.7-172.90111.3L62 R66L62-K64 PolarHBondContact O-N 2.91Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.1Å
65R86.7Confident93.6Very high199 Ų19947.2 Ų47.275%0.75125%0.247SC*.SBendtrans57.832.1176.2-55-179.5177.8-176.4-0.5114.3G67 K68 L69R65-G67 VanDerWaalsContact C-N 3.26Å; R65-G67 PolarHBondContact O-N 2.92Å; R65-G67 VanDerWaalsContact O-N 3.17Å; R65-K68 PolarHBondContact O-N 2.86Å; R65-L69 PolarHBondContact O-N 2.85Å
66R90.5Very high93.6Very high22 Ų2249 Ų498%0.08326%0.257CS..THydrogen-bonded Turntrans-50.1-41.9-178.1-69.6170.2-75.6-175.3-5113.3E8 P59 I63 K64 K68 L69 G70 L71 V72 D216E8-R66 IonicContact OE2-CZ 2.86Å; E8-R66 IonicContact OE2-NH1 3.4Å; E8-R66 PolarHBondContact OE2-NH1 2.89Å; E8-R66 IonicContact OE2-NH2 2.87Å; E8-R66 PolarHBondContact OE2-NH2 3.35Å; P59-R66 HydrophobicContact CG-CG 4.27Å; P59-R66 WeakPolarHBondContact O-CD 3.44Å; P59-R66 PolarHBondContact O-NH1 2.94Å; I63-R66 HydrophobicContact CB-CG 4Å; I63-R66 HydrophobicContact CG2-CG 3.78Å; I63-R66 WeakPolarHBondContact O-CD 3.47Å; I63-R66 VanDerWaalsContact O-CG 3.25Å; I63-R66 WeakPolarHBondContact O-CG 3.42Å; I63-R66 PolarHBondContact O-NE 3.41Å; K64-R66 VanDerWaalsContact C-N 3.25Å; K64-R66 PolarHBondContact O-N 3.1Å; R66-K68 PolarHBondContact O-N 3.4Å; R66-L69 PolarHBondContact O-N 3.06Å; R66-G70 PolarHBondContact O-N 2.76Å; R66-L71 HydrophobicContact CB-CB 4.33Å; R66-L71 PolarHBondContact O-N 3.12Å; R66-V72 HydrophobicContact CB-CG2 3.67Å; R66-D216 IonicContact CZ-OD1 2.72Å; R66-D216 IonicContact NH2-OD1 3.08Å; R66-D216 PolarHBondContact NH2-OD1 3.33Å; R66-D216 IonicContact NH2-OD2 2.78Å
67G87.8Confident93.5Very high41 Ų4151.1 Ų51.142%0.42327%0.267SS..THydrogen-bonded Turntrans-59.2-45.3178.400000113.1R65 L69 G70R65-G67 VanDerWaalsContact C-N 3.26Å; R65-G67 PolarHBondContact O-N 2.92Å; R65-G67 VanDerWaalsContact O-N 3.17Å; G67-L69 PolarHBondContact O-N 3.31Å; G67-G70 PolarHBondContact O-N 3.18Å; G67-G70 VanDerWaalsContact O-N 3.13Å
68K88.1Confident93.4Very high122 Ų12251.7 Ų51.753%0.5327%0.27SS..THydrogen-bonded Turntrans-68.3-23.9178.2-62-163.9171.8-172.60113.2R65 R66 G70 V140 D141R65-K68 PolarHBondContact O-N 2.86Å; R66-K68 PolarHBondContact O-N 3.4Å; K68-G70 VanDerWaalsContact C-N 3.3Å; K68-V140 WeakPolarHBondContact CE-O 3.5Å; K68-V140 HydrophobicContact CG-CG2 3.78Å; K68-V140 PolarHBondContact NZ-O 3.43Å; K68-D141 WeakPolarHBondContact CE-OD1 3.43Å; K68-D141 IonicContact NZ-OD1 2.79Å; K68-D141 PolarHBondContact NZ-OD1 2.57Å
69L89.6Confident93.3Very high78 Ų7856.3 Ų56.341%0.40830%0.295SS..THydrogen-bonded Turntrans-85.8-0.1177-62.9169.2000112.7I63 R65 R66 G67 L71 V95I63-L69 HydrophobicContact CG2-CD1 4Å; R65-L69 PolarHBondContact O-N 2.85Å; R66-L69 PolarHBondContact O-N 3.06Å; G67-L69 PolarHBondContact O-N 3.31Å; L69-L71 HydrophobicContact CB-CD1 3.97Å; L69-L71 HydrophobicContact CB-CG 3.95Å; L69-L71 HydrophobicContact CD1-CD1 4.25Å; L69-L71 PolarHBondContact O-N 3.14Å; L69-V95 HydrophobicContact CD1-CG1 3.94Å; L69-V95 HydrophobicContact CD1-CG2 4.17Å
70G92.6Very high93.3Very high44 Ų4457.3 Ų57.345%0.45431%0.306SS..THydrogen-bonded Turntrans67.222.8-175.500000113.5R66 G67 K68R66-G70 PolarHBondContact O-N 2.76Å; G67-G70 PolarHBondContact O-N 3.18Å; G67-G70 VanDerWaalsContact O-N 3.13Å; K68-G70 VanDerWaalsContact C-N 3.3Å
71L94.9Very high93.3Very high14 Ų1457 Ų577%0.07330%0.304CS..  trans-97.819.4-178.6-64.3177.9000112.6P59 I63 R66 L69 W84 T93 L102P59-L71 WeakPolarHBondContact CD-O 3.21Å; P59-L71 HydrophobicContact CG-CB 4.01Å; P59-L71 HydrophobicContact CG-CD1 4.3Å; I63-L71 HydrophobicContact CD1-CD1 4.45Å; I63-L71 HydrophobicContact CG2-CD1 4.37Å; R66-L71 HydrophobicContact CB-CB 4.33Å; R66-L71 PolarHBondContact O-N 3.12Å; L69-L71 HydrophobicContact CB-CD1 3.97Å; L69-L71 HydrophobicContact CB-CG 3.95Å; L69-L71 HydrophobicContact CD1-CD1 4.25Å; L69-L71 PolarHBondContact O-N 3.14Å; L71-W84 WeakPolarHBondContact O-CH2 3.06Å; L71-T93 HydrophobicContact CD1-CG2 4.43Å; L71-L102 HydrophobicContact CD2-CD1 3.91Å
72V96.6Very high93.3Very high41 Ų4158.3 Ų58.325%0.24831%0.309CS..  trans-126.2115.3175.2-173.20000108.7V56 V57 K58 R66 V74V56-V72 HydrophobicContact CG1-CG1 3.7Å; V57-V72 CarbonylContact O-C 3.53Å; V57-V72 WeakPolarHBondContact O-CA 3.28Å; K58-V72 HydrophobicContact CB-CG1 4.41Å; K58-V72 HydrophobicContact CB-CG2 4.12Å; R66-V72 HydrophobicContact CB-CG2 3.67Å; V72-V74 HydrophobicContact CG1-CG2 3.73Å
73G96.4Very high93.5Very high4 Ų461 Ų614%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-87.4121.9169.600000109.2V56 V57V56-G73 CarbonylContact C-O 3.57Å; V56-G73 WeakPolarHBondContact CA-O 3.42Å; V57-G73 PolarHBondContact N-O 3.03Å; V57-G73 PolarHBondContact O-N 3.28Å
74V95.8Very high93.8Very high80 Ų8062.3 Ų62.349%0.48533%0.325SS..EExtended strand (participates in β ladder)trans-117.1140-171.7-177.80000110.6V56 V72 F110V56-V74 HydrophobicContact CG2-CG1 4.36Å; V72-V74 HydrophobicContact CG1-CG2 3.73Å; V74-F110 HydrophobicContact CG1-CD2 3.64Å; V74-F110 HydrophobicContact CG1-CE2 3.46Å; V74-F110 VanDerWaalsContact CG1-CE2 3.46Å
75N96.7Very high94.2Very high69 Ų6956.1 Ų56.137%0.36930%0.298SS..EExtended strand (participates in β ladder)trans54.355.9176-173.316.4000112.8R54 L55 F110R54-N75 WeakPolarHBondContact CB-OD1 3.47Å; R54-N75 VanDerWaalsContact CG-OD1 3.31Å; R54-N75 WeakPolarHBondContact CG-OD1 3.28Å; R54-N75 PolarHBondContact NE-O 3.45Å; R54-N75 PolarHBondContact NE-OD1 2.94Å; R54-N75 PolarHBondContact NH2-O 3.41Å; L55-N75 WeakPolarHBondContact O-CA 3.43Å; L55-N75 PolarHBondContact O-N 3.22Å; N75-F110 HydrophobicContact CB-CD1 3.92Å; N75-F110 HydrophobicContact CB-CD2 3.98Å; N75-F110 HydrophobicContact CB-CE1 3.97Å; N75-F110 HydrophobicContact CB-CE2 4.04Å; N75-F110 HydrophobicContact CB-CG 3.92Å; N75-F110 HydrophobicContact CB-CZ 4.04Å
76L96.8Very high94.6Very high39 Ų3953.3 Ų53.320%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-109.2155.5177.4-58177.6000110.3R54 L55 V57 V81 W84R54-L76 CarbonylContact C-O 3.4Å; R54-L76 WeakPolarHBondContact CA-O 3.1Å; L55-L76 WeakPolarHBondContact CB-O 3.38Å; L55-L76 PolarHBondContact N-O 3.31Å; L55-L76 PolarHBondContact O-N 3.14Å; V57-L76 HydrophobicContact CG1-CD1 4.32Å; L76-V81 HydrophobicContact CB-CG2 3.88Å; L76-V81 HydrophobicContact CD1-CG2 4.29Å; L76-W84 HydrophobicContact CD1-CB 3.96Å; L76-W84 HydrophobicContact CD1-CG 4.15Å
77D96.9Very high94.8Very high68 Ų6855.6 Ų55.636%0.36431%0.309SS..  trans-85.6175.216050.155.1000109.7R54 N79 G80 V81R54-D77 IonicContact NH1-OD2 2.73Å; R54-D77 PolarHBondContact NH1-OD2 3.04Å; D77-N79 PolarHBondContact O-N 3.27Å; D77-N79 PolarHBondContact OD1-N 3.22Å; D77-G80 CarbonylContact O-C 3.57Å; D77-G80 WeakPolarHBondContact O-CA 3.35Å; D77-G80 PolarHBondContact O-N 2.67Å; D77-G80 VanDerWaalsContact O-N 3.07Å; D77-G80 PolarHBondContact OD1-N 3.46Å; D77-V81 WeakPolarHBondContact O-CG2 3.35Å; D77-V81 PolarHBondContact O-N 3.25Å
78L95.3Very high95.2Very high11 Ų1157 Ų576%0.05830%0.301CS..Hα-helixtrans-57-36-179.1-177.361.5000113.3F40 T44 L50 L51 L55 V81 K82F40-L78 HydrophobicContact CD1-CD1 4.31Å; F40-L78 HydrophobicContact CE1-CD1 4.38Å; T44-L78 HydrophobicContact CG2-CD2 3.42Å; T44-L78 VanDerWaalsContact CG2-CD2 3.42Å; L50-L78 HydrophobicContact CB-CD1 4.44Å; L50-L78 HydrophobicContact CB-CD2 4.5Å; L51-L78 HydrophobicContact CD2-CD2 3.68Å; L55-L78 HydrophobicContact CD1-CB 4.2Å; L55-L78 HydrophobicContact CD1-CD1 4.37Å; L78-V81 PolarHBondContact O-N 2.64Å; L78-K82 WeakPolarHBondContact O-CG 3.36Å; L78-K82 PolarHBondContact O-N 3.29Å
79N95.3Very high95.4Very high108 Ų10853.2 Ų53.258%0.57829%0.287SS*.Hα-helixtrans-69.5-42.2176.9-71.6-24.4000110.7D77 V81 K82 E83D77-N79 PolarHBondContact O-N 3.27Å; D77-N79 PolarHBondContact OD1-N 3.22Å; N79-V81 VanDerWaalsContact C-N 3.31Å; N79-V81 PolarHBondContact O-N 3.34Å; N79-K82 WeakPolarHBondContact O-CB 3.4Å; N79-K82 PolarHBondContact O-N 3.42Å; N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 2.79Å
80G96.4Very high95.6Very high22 Ų2254 Ų5423%0.22729%0.29CS..Hα-helixtrans-58.3-40.2171.600000112.8D77 E83 W84D77-G80 CarbonylContact O-C 3.57Å; D77-G80 WeakPolarHBondContact O-CA 3.35Å; D77-G80 PolarHBondContact O-N 2.67Å; D77-G80 VanDerWaalsContact O-N 3.07Å; D77-G80 PolarHBondContact OD1-N 3.46Å; G80-E83 PolarHBondContact O-N 3.17Å; G80-W84 VanDerWaalsContact O-CB 3.25Å; G80-W84 WeakPolarHBondContact O-CB 3.43Å; G80-W84 PolarHBondContact O-N 3.41Å
81V96.6Very high95.7Very high0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-63.2-45.4173.9171.90000111.2L55 V57 L76 D77 L78 N79 E83 W84 L85 I107L55-V81 HydrophobicContact CB-CG2 3.87Å; L55-V81 HydrophobicContact CD1-CG2 3.9Å; V57-V81 HydrophobicContact CB-CG1 3.93Å; V57-V81 HydrophobicContact CB-CG2 4.36Å; V57-V81 HydrophobicContact CG1-CG1 4.11Å; V57-V81 HydrophobicContact CG1-CG2 4.25Å; V57-V81 HydrophobicContact CG2-CG1 4.06Å; L76-V81 HydrophobicContact CB-CG2 3.88Å; L76-V81 HydrophobicContact CD1-CG2 4.29Å; D77-V81 WeakPolarHBondContact O-CG2 3.35Å; D77-V81 PolarHBondContact O-N 3.25Å; L78-V81 PolarHBondContact O-N 2.64Å; N79-V81 VanDerWaalsContact C-N 3.31Å; N79-V81 PolarHBondContact O-N 3.34Å; V81-E83 PolarHBondContact O-N 2.85Å; V81-W84 PolarHBondContact O-N 2.87Å; V81-L85 HydrophobicContact CG1-CD1 3.85Å; V81-L85 HydrophobicContact CG1-CG 4.36Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.43Å; V81-L85 PolarHBondContact O-N 3.26Å; V81-I107 HydrophobicContact CG1-CD1 3.63Å; V81-I107 HydrophobicContact CG1-CG1 4Å
82K95.5Very high95.5Very high65 Ų6562.2 Ų62.228%0.28331%0.314SS..Hα-helixtrans-59.1-47.1176.4-72.7172-179.5176.70111.8F40 L78 N79 W84 L85 K86F40-K82 HydrophobicContact CD1-CD 4.3Å; F40-K82 HydrophobicContact CD1-CG 4.07Å; F40-K82 HydrophobicContact CE1-CD 4.46Å; F40-K82 HydrophobicContact CE1-CG 3.73Å; F40-K82 HydrophobicContact CE2-CG 4.46Å; F40-K82 HydrophobicContact CZ-CG 3.95Å; L78-K82 WeakPolarHBondContact O-CG 3.36Å; L78-K82 PolarHBondContact O-N 3.29Å; N79-K82 WeakPolarHBondContact O-CB 3.4Å; N79-K82 PolarHBondContact O-N 3.42Å; K82-W84 VanDerWaalsContact C-N 3.32Å; K82-W84 PolarHBondContact O-N 3.4Å; K82-L85 PolarHBondContact O-N 2.88Å; K82-K86 PolarHBondContact O-N 3.3Å; K82-K86 VanDerWaalsContact O-N 3.12Å
83E96.7Very high95.3Very high110 Ų11061.6 Ų61.651%0.51431%0.31SS..Hα-helixtrans-64.7-36.2176.3-66.9-52.713800112.1N79 G80 V81 K86 P87N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 2.79Å; G80-E83 PolarHBondContact O-N 3.17Å; V81-E83 PolarHBondContact O-N 2.85Å; E83-K86 WeakPolarHBondContact OE1-CE 3.43Å; E83-K86 IonicContact OE1-NZ 3.43Å; E83-K86 PolarHBondContact OE1-NZ 2.85Å; E83-K86 WeakPolarHBondContact OE2-CD 3.23Å; E83-K86 IonicContact OE2-NZ 3.01Å; E83-K86 PolarHBondContact OE2-NZ 3.27Å; E83-P87 WeakPolarHBondContact O-CD 3.47Å
84W97.1Very high95Very high35 Ų3567.5 Ų67.513%0.13334%0.338CS..Hα-helixtrans-67.3-35.9176.9-172.697.3000112.5V57 L71 L76 G80 V81 K82 P87 R88 F105V57-W84 HydrophobicContact CB-CE3 4.49Å; V57-W84 HydrophobicContact CG1-CD2 3.79Å; V57-W84 HydrophobicContact CG1-CE3 3.45Å; V57-W84 VanDerWaalsContact CG1-CE3 3.45Å; V57-W84 HydrophobicContact CG1-CG 4.3Å; V57-W84 HydrophobicContact CG1-CH2 4.49Å; V57-W84 HydrophobicContact CG1-CZ3 3.84Å; V57-W84 HydrophobicContact CG2-CE3 4.24Å; V57-W84 HydrophobicContact CG2-CZ3 4.12Å; L71-W84 WeakPolarHBondContact O-CH2 3.06Å; L76-W84 HydrophobicContact CD1-CB 3.96Å; L76-W84 HydrophobicContact CD1-CG 4.15Å; G80-W84 VanDerWaalsContact O-CB 3.25Å; G80-W84 WeakPolarHBondContact O-CB 3.43Å; G80-W84 PolarHBondContact O-N 3.41Å; V81-W84 PolarHBondContact O-N 2.87Å; K82-W84 VanDerWaalsContact C-N 3.32Å; K82-W84 PolarHBondContact O-N 3.4Å; W84-P87 WeakPolarHBondContact O-CD 3.49Å; W84-R88 VanDerWaalsContact CE2-CZ 3.49Å; W84-R88 VanDerWaalsContact CE2-NE 3.34Å; W84-R88 VanDerWaalsContact CZ2-NE 3.26Å; W84-R88 VanDerWaalsContact CZ3-CD 3.47Å; W84-R88 WeakPolarHBondContact O-CD 3.28Å; W84-R88 PolarHBondContact O-NH1 3.41Å; W84-F105 HydrophobicContact CH2-CE1 4.05Å; W84-F105 AromaticContact CZ3-CD1 3.91Å; W84-F105 HydrophobicContact CZ3-CD1 3.91Å; W84-F105 AromaticContact CZ3-CE1 3.61Å; W84-F105 HydrophobicContact CZ3-CE1 3.61Å
85L96.3Very high94.6Very high6 Ų665.1 Ų65.13%0.03132%0.324CS..Hα-helixtrans-73.9-35.6178.7-75.8169.7000113.1V34 F40 V57 V81 K82 R88 L89 F105V34-L85 HydrophobicContact CB-CD1 4.46Å; V34-L85 HydrophobicContact CG1-CD1 3.98Å; F40-L85 HydrophobicContact CZ-CD1 4.14Å; V57-L85 HydrophobicContact CG2-CD1 4.44Å; V57-L85 HydrophobicContact CG2-CD2 3.94Å; V57-L85 HydrophobicContact CG2-CG 4.24Å; V81-L85 HydrophobicContact CG1-CD1 3.85Å; V81-L85 HydrophobicContact CG1-CG 4.36Å; V81-L85 WeakPolarHBondContact O-CB 3.45Å; V81-L85 WeakPolarHBondContact O-CG 3.43Å; V81-L85 PolarHBondContact O-N 3.26Å; K82-L85 PolarHBondContact O-N 2.88Å; L85-R88 PolarHBondContact O-N 3.29Å; L85-L89 PolarHBondContact O-N 3.16Å; L85-F105 HydrophobicContact CD2-CB 3.99Å; L85-F105 HydrophobicContact CD2-CD1 3.62Å; L85-F105 HydrophobicContact CD2-CD2 3.77Å; L85-F105 HydrophobicContact CD2-CE1 3.97Å; L85-F105 HydrophobicContact CD2-CE2 4.1Å; L85-F105 HydrophobicContact CD2-CG 3.51Å; L85-F105 HydrophobicContact CD2-CZ 4.18Å
86K94.4Very high94.2Very high140 Ų14065.3 Ų65.361%0.60934%0.342SS*.THydrogen-bonded Turntrans-45.6-49.4-178.6-82.2-178.7-170.1167.30114.9K82 E83 R88K82-K86 PolarHBondContact O-N 3.3Å; K82-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 WeakPolarHBondContact OE1-CE 3.43Å; E83-K86 IonicContact OE1-NZ 3.43Å; E83-K86 PolarHBondContact OE1-NZ 2.85Å; E83-K86 WeakPolarHBondContact OE2-CD 3.23Å; E83-K86 IonicContact OE2-NZ 3.01Å; E83-K86 PolarHBondContact OE2-NZ 3.27Å; K86-R88 VanDerWaalsContact C-N 3.31Å; K86-R88 PolarHBondContact O-N 2.98Å
87P95Very high93.6Very high70 Ų7071.6 Ų71.646%0.45537%0.368SS..THydrogen-bonded Turntrans-84.83.6179.734.3-38.2000114.3E83 W84 K91E83-P87 WeakPolarHBondContact O-CD 3.47Å; W84-P87 WeakPolarHBondContact O-CD 3.49Å; P87-K91 WeakPolarHBondContact O-CD 3.36Å
88R95.5Very high93.1Very high70 Ų7069 Ų6926%0.26436%0.356SS..THydrogen-bonded Turntrans-123.5-40.2-171.1-70.7176179.177.70.7113.7W84 L85 K86 M90 K91 F105W84-R88 VanDerWaalsContact CE2-CZ 3.49Å; W84-R88 VanDerWaalsContact CE2-NE 3.34Å; W84-R88 VanDerWaalsContact CZ2-NE 3.26Å; W84-R88 VanDerWaalsContact CZ3-CD 3.47Å; W84-R88 WeakPolarHBondContact O-CD 3.28Å; W84-R88 PolarHBondContact O-NH1 3.41Å; L85-R88 PolarHBondContact O-N 3.29Å; K86-R88 VanDerWaalsContact C-N 3.31Å; K86-R88 PolarHBondContact O-N 2.98Å; R88-M90 PolarHBondContact O-N 3.34Å; R88-K91 WeakPolarHBondContact O-CB 3.4Å; R88-K91 PolarHBondContact O-N 3.1Å; R88-F105 HydrophobicContact CB-CZ 4.13Å
89L93.8Very high92.7Very high44 Ų4473.8 Ų73.823%0.2338%0.376CS..THydrogen-bonded Turntrans-62.6132.3175.5-17464.1000109.1T36 L85 K91 F105T36-L89 HydrophobicContact CG2-CD2 4.49Å; T36-L89 HydrophobicContact CG2-CG 4.4Å; L85-L89 PolarHBondContact O-N 3.16Å; L89-K91 PolarHBondContact O-N 3.19Å; L89-F105 HydrophobicContact CB-CE2 4.28Å; L89-F105 HydrophobicContact CD1-CD2 3.79Å; L89-F105 HydrophobicContact CD1-CE2 3.69Å
90M93.8Very high92.5Very high94 Ų9469.1 Ų69.146%0.46335%0.354SS..THydrogen-bonded Turntrans61.612.7-171.7-61.2-58.7-73.100115.7T36 R88 I101 L102 K103T36-M90 HydrophobicContact CG2-CE 4.42Å; T36-M90 HydrophobicContact CG2-CG 3.16Å; T36-M90 HydrophobicContact CG2-SD 3.42Å; T36-M90 WeakPolarHBondContact CG2-SD 3.29Å; R88-M90 PolarHBondContact O-N 3.34Å; M90-I101 HydrophobicContact CE-CG2 4.31Å; M90-I101 HydrophobicContact SD-CG2 4.09Å; M90-L102 WeakPolarHBondContact CA-O 3.47Å; M90-L102 PolarHBondContact N-O 2.82Å; M90-K103 HydrophobicContact SD-CG 3.92Å
91K93.1Very high92.3Very high119 Ų11970.6 Ų70.652%0.51736%0.356SS..  trans-84.2133.3174.7-173166.6175.3178.80111.1P87 R88 L89 T93 L102P87-K91 WeakPolarHBondContact O-CD 3.36Å; R88-K91 WeakPolarHBondContact O-CB 3.4Å; R88-K91 PolarHBondContact O-N 3.1Å; L89-K91 PolarHBondContact O-N 3.19Å; K91-T93 PolarHBondContact O-N 2.98Å; K91-T93 PolarHBondContact O-OG1 3.42Å; K91-L102 PolarHBondContact O-N 3Å
92E92.6Very high92.2Very high112 Ų11270.6 Ų70.652%0.52336%0.356SS..EExtended strand (participates in β ladder)trans-66.4129.1169.2-169.1177.5-107.400110.6K99 G100E92-K99 HydrophobicContact CG-CG 4.22Å; E92-K99 WeakPolarHBondContact OE1-CE 3.3Å; E92-K99 IonicContact OE1-NZ 3.62Å; E92-K99 PolarHBondContact OE1-NZ 3Å; E92-K99 VanDerWaalsContact OE1-NZ 3.11Å; E92-K99 WeakPolarHBondContact OE2-CE 3.09Å; E92-K99 IonicContact OE2-NZ 3.57Å; E92-K99 PolarHBondContact OE2-NZ 3.3Å; E92-G100 CarbonylContact C-O 3.59Å; E92-G100 WeakPolarHBondContact CA-O 3.3Å
93T91.8Very high92.2Very high28 Ų2871.1 Ų71.117%0.17236%0.358CS..EExtended strand (participates in β ladder)trans-136.4139.2-174.1-58.70000110L71 K91 V95 G100 L102 F242L71-T93 HydrophobicContact CD1-CG2 4.43Å; K91-T93 PolarHBondContact O-N 2.98Å; K91-T93 PolarHBondContact O-OG1 3.42Å; T93-V95 HydrophobicContact CG2-CG2 4.23Å; T93-G100 PolarHBondContact N-O 2.77Å; T93-G100 PolarHBondContact O-N 2.95Å; T93-G100 VanDerWaalsContact O-O 3.12Å; T93-L102 WeakPolarHBondContact OG1-CD1 3.44Å; T93-L102 WeakPolarHBondContact OG1-CG 3.4Å; T93-F242 WeakPolarHBondContact O-CE1 3.5Å
94M90.4Very high92.2Very high127 Ų12767.4 Ų67.463%0.62634%0.341SS*.EExtended strand (participates in β ladder)trans-102.5125.3176.2-171.2169-7700109.7A98 K99M94-A98 WeakPolarHBondContact CA-O 3.08Å; M94-K99 HydrophobicContact CE-CD 4.44Å
95V87.3Confident92.2Very high31 Ų3165.7 Ų65.719%0.18834%0.335CS..EExtended strand (participates in β ladder)trans-126.1105.2176.7-1790000108.1I63 L69 T93 K97 A98 F242I63-V95 HydrophobicContact CG2-CG1 4.24Å; I63-V95 HydrophobicContact CG2-CG2 4.15Å; L69-V95 HydrophobicContact CD1-CG1 3.94Å; L69-V95 HydrophobicContact CD1-CG2 4.17Å; T93-V95 HydrophobicContact CG2-CG2 4.23Å; V95-K97 PolarHBondContact O-N 2.94Å; V95-A98 PolarHBondContact N-O 3.35Å; V95-A98 PolarHBondContact O-N 3.45Å; V95-F242 HydrophobicContact CB-CD1 3.97Å; V95-F242 HydrophobicContact CB-CE1 3.95Å; V95-F242 HydrophobicContact CG2-CD1 3.98Å; V95-F242 HydrophobicContact CG2-CE1 3.63Å; V95-F242 HydrophobicContact CG2-CZ 4.31Å
96G87.1Confident92.3Very high72 Ų7265.4 Ų65.474%0.74233%0.334SS*.THydrogen-bonded Turntrans62.4-122.1-169.500000110.5
97K84.7Confident92.5Very high172 Ų17258.8 Ų58.875%0.74831%0.305SS*.THydrogen-bonded Turntrans-91.7-11.4174.1-61.9-176.4-178.6-178.60113.4V95V95-K97 PolarHBondContact O-N 2.94Å
98A85.7Confident92.6Very high14 Ų1456.1 Ų56.112%0.11629%0.286CS..EExtended strand (participates in β ladder)trans-83.1132.5-176.900000110.5M94 V95 F242M94-A98 WeakPolarHBondContact CA-O 3.08Å; V95-A98 PolarHBondContact N-O 3.35Å; V95-A98 PolarHBondContact O-N 3.45Å; A98-F242 HydrophobicContact CB-CD1 4.17Å; A98-F242 WeakPolarHBondContact CB-O 3.34Å
99K88.1Confident92.7Very high111 Ų11153.1 Ų53.148%0.48328%0.276SS..EExtended strand (participates in β ladder)trans-117.1117179.4-175.6-179.3176.7-171.60108.2E92 M94 G243E92-K99 HydrophobicContact CG-CG 4.22Å; E92-K99 WeakPolarHBondContact OE1-CE 3.3Å; E92-K99 IonicContact OE1-NZ 3.62Å; E92-K99 PolarHBondContact OE1-NZ 3Å; E92-K99 VanDerWaalsContact OE1-NZ 3.11Å; E92-K99 WeakPolarHBondContact OE2-CE 3.09Å; E92-K99 IonicContact OE2-NZ 3.57Å; E92-K99 PolarHBondContact OE2-NZ 3.3Å; M94-K99 HydrophobicContact CE-CD 4.44Å; K99-G243 VanDerWaalsContact O-CA 3.26Å; K99-G243 WeakPolarHBondContact O-CA 3.25Å
100G89.9Confident92.9Very high10 Ų1053.6 Ų53.610%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-149.8169.5-174.300000113.2E92 T93E92-G100 CarbonylContact C-O 3.59Å; E92-G100 WeakPolarHBondContact CA-O 3.3Å; T93-G100 PolarHBondContact N-O 2.77Å; T93-G100 PolarHBondContact O-N 2.95Å; T93-G100 VanDerWaalsContact O-O 3.12Å
101I93.4Very high93Very high52 Ų5249.6 Ų49.627%0.26726%0.257SS..EExtended strand (participates in β ladder)trans-100.8135.3179.8-59.1173.8000109.4Q61 M90 K103Q61-I101 PolarHBondContact NE2-O 2.88Å; M90-I101 HydrophobicContact CE-CG2 4.31Å; M90-I101 HydrophobicContact SD-CG2 4.09Å; I101-K103 HydrophobicContact CB-CG 4.2Å; I101-K103 HydrophobicContact CG2-CG 3.82Å; I101-K103 PolarHBondContact O-N 3.38Å
102L94.8Very high93.2Very high1 Ų148.7 Ų48.71%0.00526%0.263CS..  trans-79.5100.7174-60.3178.5000110.5P59 Q61 I63 L71 M90 K91 T93 F105 F242P59-L102 HydrophobicContact CB-CD2 4.08Å; P59-L102 HydrophobicContact CG-CD2 4.43Å; Q61-L102 VanDerWaalsContact OE1-CA 3.23Å; I63-L102 HydrophobicContact CD1-CD2 3.55Å; L71-L102 HydrophobicContact CD2-CD1 3.91Å; M90-L102 WeakPolarHBondContact CA-O 3.47Å; M90-L102 PolarHBondContact N-O 2.82Å; K91-L102 PolarHBondContact O-N 3Å; T93-L102 WeakPolarHBondContact OG1-CD1 3.44Å; T93-L102 WeakPolarHBondContact OG1-CG 3.4Å; L102-F105 HydrophobicContact CB-CE2 3.9Å; L102-F105 HydrophobicContact CB-CZ 3.69Å; L102-F105 HydrophobicContact CD1-CZ 4.01Å; L102-F105 HydrophobicContact CG-CZ 4.4Å; L102-F242 HydrophobicContact CD2-CE2 3.96Å; L102-F242 HydrophobicContact CD2-CZ 4.33Å
103K94.4Very high93.4Very high75 Ų7546.1 Ų46.133%0.32625%0.251SS..  trans-109.3-22.9-174.3-57.7-175-174.1178.30113.6T35 M90 I101 E245T35-K103 WeakPolarHBondContact CA-O 3.44Å; M90-K103 HydrophobicContact SD-CG 3.92Å; I101-K103 HydrophobicContact CB-CG 4.2Å; I101-K103 HydrophobicContact CG2-CG 3.82Å; I101-K103 PolarHBondContact O-N 3.38Å; K103-E245 IonicContact NZ-OE1 3.41Å; K103-E245 PolarHBondContact NZ-OE1 2.97Å
104N96.5Very high93.5Very high32 Ų3252 Ų5217%0.17127%0.274CS..  trans-133.7125.7-169.3-165.767.3000111.1N33 T35 P59 D60 Q61N33-N104 VanDerWaalsContact CG-OD1 3.25Å; N33-N104 PolarHBondContact ND2-OD1 3.13Å; N33-N104 PolarHBondContact OD1-ND2 2.91Å; N33-N104 PolarHBondContact OD1-OD1 3.12Å; T35-N104 WeakPolarHBondContact CG2-OD1 3.42Å; P59-N104 WeakPolarHBondContact CA-O 3.18Å; D60-N104 PolarHBondContact N-O 3.22Å; D60-N104 PolarHBondContact O-ND2 3.16Å; D60-N104 VanDerWaalsContact O-ND2 3.08Å; Q61-N104 HydrophobicContact CG-CB 3.94Å
105F97.6Very high93.5Very high0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-131.3141.4-177.3-69.6-99.3000111.9N33 V34 V57 K58 P59 W84 L85 R88 L89 L102N33-F105 CarbonylContact C-O 3.58Å; N33-F105 WeakPolarHBondContact CA-O 3.49Å; N33-F105 PolarHBondContact OD1-O 2.68Å; V34-F105 HydrophobicContact CB-CB 4.41Å; V34-F105 PolarHBondContact N-O 2.69Å; V34-F105 PolarHBondContact O-N 3.4Å; V57-F105 HydrophobicContact CG2-CB 4.24Å; V57-F105 HydrophobicContact CG2-CD1 4.26Å; K58-F105 CarbonylContact O-C 3.52Å; K58-F105 WeakPolarHBondContact O-CA 3.37Å; P59-F105 HydrophobicContact CB-CD1 4.03Å; P59-F105 HydrophobicContact CB-CE1 3.89Å; P59-F105 HydrophobicContact CB-CZ 4.41Å; P59-F105 HydrophobicContact CG-CE1 4.39Å; W84-F105 HydrophobicContact CH2-CE1 4.05Å; W84-F105 AromaticContact CZ3-CD1 3.91Å; W84-F105 HydrophobicContact CZ3-CD1 3.91Å; W84-F105 AromaticContact CZ3-CE1 3.61Å; W84-F105 HydrophobicContact CZ3-CE1 3.61Å; L85-F105 HydrophobicContact CD2-CB 3.99Å; L85-F105 HydrophobicContact CD2-CD1 3.62Å; L85-F105 HydrophobicContact CD2-CD2 3.77Å; L85-F105 HydrophobicContact CD2-CE1 3.97Å; L85-F105 HydrophobicContact CD2-CE2 4.1Å; L85-F105 HydrophobicContact CD2-CG 3.51Å; L85-F105 HydrophobicContact CD2-CZ 4.18Å; R88-F105 HydrophobicContact CB-CZ 4.13Å; L89-F105 HydrophobicContact CB-CE2 4.28Å; L89-F105 HydrophobicContact CD1-CD2 3.79Å; L89-F105 HydrophobicContact CD1-CE2 3.69Å; L102-F105 HydrophobicContact CB-CE2 3.9Å; L102-F105 HydrophobicContact CB-CZ 3.69Å; L102-F105 HydrophobicContact CD1-CZ 4.01Å; L102-F105 HydrophobicContact CG-CZ 4.4Å
106L98Very high93.8Very high0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-104.2126.3175.3-161.866.9000109.9E8 Q9 Y31 V57 K58 D60 E108E8-L106 HydrophobicContact CB-CD2 4.49Å; E8-L106 HydrophobicContact CG-CD2 4.14Å; Q9-L106 HydrophobicContact CB-CD1 4.02Å; Q9-L106 HydrophobicContact CG-CD1 4.25Å; Y31-L106 HydrophobicContact CD2-CD1 4.32Å; Y31-L106 HydrophobicContact CG-CD1 4.42Å; V57-L106 WeakPolarHBondContact CA-O 3.26Å; K58-L106 PolarHBondContact N-O 3.31Å; K58-L106 PolarHBondContact O-N 2.92Å; D60-L106 HydrophobicContact CB-CB 4.19Å; L106-E108 HydrophobicContact CD2-CG 4.21Å; L106-E108 HydrophobicContact CG-CG 4.12Å
107I98.2Very high94.2Very high0 Ų053.3 Ų53.30%027%0.265CS..EExtended strand (participates in β ladder)trans-102.5132.7170.8-56.4172.3000108.8Y31 A32 V34 L50 L55 V56 V57 V81Y31-I107 CarbonylContact C-O 3.5Å; Y31-I107 VanDerWaalsContact CA-O 3.27Å; Y31-I107 WeakPolarHBondContact CA-O 3.2Å; A32-I107 HydrophobicContact CB-CB 4.39Å; A32-I107 PolarHBondContact N-O 3.09Å; A32-I107 PolarHBondContact O-N 3.46Å; V34-I107 HydrophobicContact CG2-CD1 3.43Å; V34-I107 VanDerWaalsContact CG2-CD1 3.43Å; V34-I107 HydrophobicContact CG2-CG1 4.02Å; L50-I107 HydrophobicContact CD2-CB 4.37Å; L50-I107 HydrophobicContact CD2-CG2 3.64Å; L55-I107 HydrophobicContact CB-CG2 4.1Å; L55-I107 HydrophobicContact CD1-CG2 4.02Å; L55-I107 HydrophobicContact CD2-CG2 4.29Å; L55-I107 HydrophobicContact CG-CG2 4.37Å; V56-I107 CarbonylContact O-C 3.53Å; V56-I107 VanDerWaalsContact O-CA 3.31Å; V56-I107 WeakPolarHBondContact O-CA 3.45Å; V57-I107 HydrophobicContact CB-CG1 4.3Å; V57-I107 HydrophobicContact CG2-CG1 4Å; V81-I107 HydrophobicContact CG1-CD1 3.63Å; V81-I107 HydrophobicContact CG1-CG1 4Å
108E97.9Very high94.8Very high15 Ų1546.1 Ų46.17%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-139.2158.2179.1-58.3-172.396.600110.8K12 L55 V56 K58 L106 F110K12-E108 WeakPolarHBondContact CD-OE1 3.19Å; K12-E108 IonicContact NZ-OE1 3.59Å; K12-E108 PolarHBondContact NZ-OE1 3.4Å; K12-E108 IonicContact NZ-OE2 3.95Å; K12-E108 PolarHBondContact NZ-OE2 3.38Å; L55-E108 CarbonylContact C-O 3.53Å; L55-E108 WeakPolarHBondContact CA-O 3.49Å; V56-E108 PolarHBondContact N-O 3.49Å; V56-E108 PolarHBondContact O-N 2.9Å; K58-E108 WeakPolarHBondContact CE-OE2 3.49Å; K58-E108 IonicContact NZ-OE2 3.7Å; K58-E108 PolarHBondContact NZ-OE2 3.33Å; L106-E108 HydrophobicContact CD2-CG 4.21Å; L106-E108 HydrophobicContact CG-CG 4.12Å; E108-F110 PolarHBondContact O-N 2.9Å
109P97.7Very high95.3Very high7 Ų745.5 Ų45.55%0.04523%0.228CC..EExtended strand (participates in β ladder)trans-58.6136171.5-2635.4000112.6R30 W49 E53 V111R30-P109 HydrophobicContact CB-CG 3.83Å; R30-P109 WeakPolarHBondContact O-CD 3.41Å; W49-P109 HydrophobicContact CE3-CG 3.81Å; W49-P109 HydrophobicContact CH2-CG 4.41Å; W49-P109 VanDerWaalsContact CZ3-CD 3.49Å; W49-P109 HydrophobicContact CZ3-CG 3.71Å; E53-P109 VanDerWaalsContact OE2-CB 3.32Å; E53-P109 WeakPolarHBondContact OE2-CB 3.45Å; E53-P109 WeakPolarHBondContact OE2-CG 3.29Å; P109-V111 PolarHBondContact O-N 2.75Å
110F97.4Very high95.7Very high54 Ų5440.7 Ų40.724%0.23721%0.207CC..  trans-70128.1167.9174.3-109.4000109.8R54 V56 V74 N75 E108 P112R54-F110 HydrophobicContact CB-CB 3.99Å; R54-F110 HydrophobicContact CB-CD1 4.3Å; R54-F110 WeakPolarHBondContact O-CB 3.3Å; R54-F110 PolarHBondContact O-N 2.84Å; V56-F110 HydrophobicContact CG2-CB 3.99Å; V56-F110 HydrophobicContact CG2-CD2 3.84Å; V56-F110 HydrophobicContact CG2-CG 4.43Å; V74-F110 HydrophobicContact CG1-CD2 3.64Å; V74-F110 HydrophobicContact CG1-CE2 3.46Å; V74-F110 VanDerWaalsContact CG1-CE2 3.46Å; N75-F110 HydrophobicContact CB-CD1 3.92Å; N75-F110 HydrophobicContact CB-CD2 3.98Å; N75-F110 HydrophobicContact CB-CE1 3.97Å; N75-F110 HydrophobicContact CB-CE2 4.04Å; N75-F110 HydrophobicContact CB-CG 3.92Å; N75-F110 HydrophobicContact CB-CZ 4.04Å; E108-F110 PolarHBondContact O-N 2.9Å; F110-P112 HydrophobicContact CD1-CG 4.11Å; F110-P112 HydrophobicContact CE1-CB 4.12Å; F110-P112 HydrophobicContact CE1-CG 3.83Å; F110-P112 WeakPolarHBondContact O-CD 3.43Å
111V97.1Very high96Very high9 Ų940.2 Ų40.26%0.05520%0.202CC..  trans-104.7112.1176.5-179.30000107.9P109 H113 V206 Y213 L215P109-V111 PolarHBondContact O-N 2.75Å; V111-H113 PolarHBondContact O-CE1 3.28Å; V111-H113 PolarHBondContact O-N 3.42Å; V111-H113 PolarHBondContact O-ND1 2.82Å; V111-V206 HydrophobicContact CG1-CG1 4.4Å; V111-Y213 HydrophobicContact CB-CD1 4.4Å; V111-Y213 HydrophobicContact CG1-CD1 3.94Å; V111-Y213 HydrophobicContact CG1-CD2 4.17Å; V111-Y213 HydrophobicContact CG1-CE1 4.09Å; V111-Y213 HydrophobicContact CG1-CE2 4.36Å; V111-Y213 HydrophobicContact CG1-CG 3.97Å; V111-Y213 HydrophobicContact CG2-CD1 3.51Å; V111-Y213 HydrophobicContact CG2-CE1 3.96Å; V111-Y213 HydrophobicContact CG2-CG 4.14Å; V111-L215 HydrophobicContact CB-CD2 4.09Å; V111-L215 HydrophobicContact CG2-CD2 3.72Å
112P95.9Very high96.2Very high100 Ų10037.8 Ų37.865%0.64919%0.19SC*.  trans-68.6122.9171.9-16.129.9000110.3F110F110-P112 HydrophobicContact CD1-CG 4.11Å; F110-P112 HydrophobicContact CE1-CB 4.12Å; F110-P112 HydrophobicContact CE1-CG 3.83Å; F110-P112 WeakPolarHBondContact O-CD 3.43Å
113H96.5Very high96.3Very high58 Ų5837.8 Ų37.827%0.26919%0.19SC..  trans-154.3165-179.360.9-80.3000111.6V111 E117 E118 V206 T208V111-H113 PolarHBondContact O-CE1 3.28Å; V111-H113 PolarHBondContact O-N 3.42Å; V111-H113 PolarHBondContact O-ND1 2.82Å; H113-E117 WeakPolarHBondContact CA-OE2 3.22Å; H113-E117 HydrophobicContact CB-CB 4.44Å; H113-E118 IonicContact CD2-OE1 3.64Å; H113-E118 IonicContact NE2-OE1 3.12Å; H113-E118 PolarHBondContact NE2-OE1 3.37Å; H113-V206 HydrophobicContact CB-CG1 3.69Å; H113-T208 HydrophobicContact CB-CG2 4.44Å
114K94.5Very high96.4Very high152 Ų15237.1 Ų37.166%0.66119%0.186SC*.  trans-97.9158.7172-57.6177.2-176.6176.60110.9T116 E117K114-T116 PolarHBondContact O-N 2.88Å; K114-T116 VanDerWaalsContact O-N 3.17Å; K114-E117 HydrophobicContact CB-CG 4.2Å; K114-E117 PolarHBondContact N-OE2 3.18Å; K114-E117 WeakPolarHBondContact O-CA 3.38Å; K114-E117 VanDerWaalsContact O-CB 3.31Å; K114-E117 WeakPolarHBondContact O-CB 3.16Å; K114-E117 PolarHBondContact O-N 3.07Å
115Q91.6Very high96.3Very high117 Ų11735.9 Ų35.955%0.54718%0.18SC..G310 helixtrans-55.3-36175.5-166.163.331.600113.1E117 E118 G138Q115-E117 PolarHBondContact O-N 3.44Å; Q115-E118 PolarHBondContact NE2-OE2 3.35Å; Q115-E118 PolarHBondContact O-N 2.98Å; Q115-E118 PolarHBondContact OE1-OE2 2.95Å; Q115-G138 PolarHBondContact NE2-O 2.8Å
116T92.7Very high96.2Very high103 Ų10336.6 Ų36.663%0.63219%0.186SC*.G310 helixtrans-67.3-4.3176.756.10000113.9K114K114-T116 PolarHBondContact O-N 2.88Å; K114-T116 VanDerWaalsContact O-N 3.17Å
117E95.9Very high96Very high37 Ų3739.6 Ų39.617%0.17320%0.197CC..G310 helixtrans-106.5-4.5176.4-48.7-172.1110.700112.2H113 K114 Q115 F119 K177 V206 V207H113-E117 WeakPolarHBondContact CA-OE2 3.22Å; H113-E117 HydrophobicContact CB-CB 4.44Å; K114-E117 HydrophobicContact CB-CG 4.2Å; K114-E117 PolarHBondContact N-OE2 3.18Å; K114-E117 WeakPolarHBondContact O-CA 3.38Å; K114-E117 VanDerWaalsContact O-CB 3.31Å; K114-E117 WeakPolarHBondContact O-CB 3.16Å; K114-E117 PolarHBondContact O-N 3.07Å; Q115-E117 PolarHBondContact O-N 3.44Å; E117-F119 VanDerWaalsContact O-CD2 3.26Å; E117-F119 WeakPolarHBondContact O-CD2 3.34Å; E117-F119 VanDerWaalsContact O-CE2 3.27Å; E117-F119 WeakPolarHBondContact O-CE2 3.32Å; E117-K177 IonicContact OE1-NZ 2.82Å; E117-V206 HydrophobicContact CB-CG1 4.48Å; E117-V206 WeakPolarHBondContact O-CA 3.46Å; E117-V207 PolarHBondContact O-N 3.36Å
118E96.7Very high95.8Very high21 Ų2144 Ų4410%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-88127.2173.2-62.2-165.5150.400110.8H113 Q115 G138 G139 P204 V206H113-E118 IonicContact CD2-OE1 3.64Å; H113-E118 IonicContact NE2-OE1 3.12Å; H113-E118 PolarHBondContact NE2-OE1 3.37Å; Q115-E118 PolarHBondContact NE2-OE2 3.35Å; Q115-E118 PolarHBondContact O-N 2.98Å; Q115-E118 PolarHBondContact OE1-OE2 2.95Å; E118-G138 PolarHBondContact O-N 3Å; E118-G139 WeakPolarHBondContact OE2-CA 3.47Å; E118-G139 PolarHBondContact OE2-N 3.01Å; E118-P204 HydrophobicContact CB-CB 3.87Å; E118-P204 HydrophobicContact CG-CB 3.9Å; E118-P204 HydrophobicContact CG-CG 4.43Å; E118-V206 HydrophobicContact CG-CG2 4.06Å
119F96.6Very high95.8Very high1 Ų143.2 Ų43.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-122.2161.6177.9-58.8-82.3000110.1E117 F134 K177 L181 L205 V207E117-F119 VanDerWaalsContact O-CD2 3.26Å; E117-F119 WeakPolarHBondContact O-CD2 3.34Å; E117-F119 VanDerWaalsContact O-CE2 3.27Å; E117-F119 WeakPolarHBondContact O-CE2 3.32Å; F119-F134 HydrophobicContact CB-CE2 4.11Å; F119-F134 HydrophobicContact CB-CZ 4.48Å; F119-F134 AromaticContact CD1-CE2 4Å; F119-F134 HydrophobicContact CD1-CE2 4Å; F119-F134 AromaticContact CD1-CZ 3.56Å; F119-F134 HydrophobicContact CD1-CZ 3.56Å; F119-F134 HydrophobicContact CE1-CZ 4.23Å; F119-F134 HydrophobicContact CG-CE2 4.34Å; F119-F134 HydrophobicContact CG-CZ 4.34Å; F119-K177 HydrophobicContact CE2-CD 4.08Å; F119-K177 HydrophobicContact CZ-CD 3.86Å; F119-L181 HydrophobicContact CD1-CD1 4.24Å; F119-L181 HydrophobicContact CD2-CD2 4.32Å; F119-L181 HydrophobicContact CE1-CD1 4.05Å; F119-L181 HydrophobicContact CG-CD2 4.32Å; F119-L181 HydrophobicContact CZ-CD1 4.22Å; F119-L205 HydrophobicContact CB-CB 4.21Å; F119-L205 HydrophobicContact CB-CD2 4.47Å; F119-L205 WeakPolarHBondContact CB-O 3.37Å; F119-L205 PolarHBondContact N-O 3.19Å; F119-L205 PolarHBondContact O-N 2.77Å; F119-V207 HydrophobicContact CD2-CB 4.15Å; F119-V207 HydrophobicContact CD2-CG2 3.89Å; F119-V207 HydrophobicContact CE2-CB 3.84Å; F119-V207 HydrophobicContact CE2-CG2 4.06Å
120Y96.2Very high95.7Very high10 Ų1043 Ų434%0.03921%0.213CC..EExtended strand (participates in β ladder)trans-115132.5171.8176.6-88000109.8C122 L133 F134 H135 V145 E201 N203Y120-C122 HydrophobicContact CE1-CB 3.53Å; Y120-C122 WeakPolarHBondContact OH-CB 3.26Å; Y120-L133 HydrophobicContact CE1-CB 4.06Å; Y120-F134 WeakPolarHBondContact O-CA 3.17Å; Y120-F134 WeakPolarHBondContact O-CD2 3.28Å; Y120-H135 PolarHBondContact N-O 3.09Å; Y120-H135 PolarHBondContact O-N 2.82Å; Y120-V145 HydrophobicContact CD1-CG1 3.49Å; Y120-V145 VanDerWaalsContact CD1-CG1 3.49Å; Y120-V145 HydrophobicContact CD2-CG1 4.18Å; Y120-V145 HydrophobicContact CD2-CG2 4.49Å; Y120-V145 HydrophobicContact CE1-CB 4.33Å; Y120-V145 HydrophobicContact CE1-CG1 3.32Å; Y120-V145 HydrophobicContact CE2-CG1 4.06Å; Y120-V145 HydrophobicContact CE2-CG2 4.17Å; Y120-V145 HydrophobicContact CG-CG1 3.92Å; Y120-E201 HydrophobicContact CE2-CG 3.9Å; Y120-E201 WeakPolarHBondContact CE2-OE1 3.1Å; Y120-E201 PolarHBondContact OH-OE1 3.31Å; Y120-N203 HydrophobicContact CD2-CB 3.73Å; Y120-N203 HydrophobicContact CE2-CB 4.06Å
121V96.9Very high95.7Very high0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-133.4133.6169.6-179.60000109.5L133 F134 I185 L188 I202 L205V121-L133 WeakPolarHBondContact CA-O 3.09Å; V121-F134 HydrophobicContact CG2-CD2 4.02Å; V121-I185 HydrophobicContact CG2-CD1 4.44Å; V121-I185 HydrophobicContact CG2-CG1 4.26Å; V121-L188 HydrophobicContact CG1-CD2 3.85Å; V121-I202 PolarHBondContact N-O 3.34Å; V121-I202 PolarHBondContact O-N 3.06Å; V121-L205 HydrophobicContact CG2-CD2 3.64Å
122C96.7Very high95.7Very high2 Ų242.8 Ų42.81%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-141.4141.5170.8179.10000111.1Y120 V132 L133 Y199 L200 E201Y120-C122 HydrophobicContact CE1-CB 3.53Å; Y120-C122 WeakPolarHBondContact OH-CB 3.26Å; C122-V132 CarbonylContact O-C 3.6Å; C122-V132 WeakPolarHBondContact O-CA 3.34Å; C122-L133 HydrophobicContact CB-CB 4.22Å; C122-L133 PolarHBondContact N-O 3.38Å; C122-L133 PolarHBondContact O-N 2.92Å; C122-Y199 VanDerWaalsContact SG-CE2 3.5Å; C122-L200 CarbonylContact C-O 3.55Å; C122-L200 VanDerWaalsContact CA-O 3.25Å; C122-L200 WeakPolarHBondContact CA-O 3.38Å; C122-E201 HydrophobicContact CB-CB 4.24Å; C122-E201 HydrophobicContact CB-CG 4.31Å
123I97.7Very high95.7Very high0 Ų038.1 Ų38.10%018%0.18CC..EExtended strand (participates in β ladder)trans-124.3127.9173.5-49.6174.7000107.6D130 Y131 V132 L188 F189 Y192 Y199 L200I123-D130 HydrophobicContact CG2-CB 4.46Å; I123-Y131 CarbonylContact C-O 3.4Å; I123-Y131 VanDerWaalsContact CA-O 3.25Å; I123-Y131 WeakPolarHBondContact CA-O 3.47Å; I123-V132 HydrophobicContact CG1-CG1 4.37Å; I123-V132 HydrophobicContact CG1-CG2 4.37Å; I123-V132 HydrophobicContact CG2-CG2 4.41Å; I123-L188 HydrophobicContact CD1-CD2 4.28Å; I123-L188 HydrophobicContact CD1-CG 4.08Å; I123-F189 HydrophobicContact CD1-CB 4.19Å; I123-F189 HydrophobicContact CD1-CD2 4.24Å; I123-F189 HydrophobicContact CG2-CD2 4.15Å; I123-F189 HydrophobicContact CG2-CE2 4.36Å; I123-Y192 HydrophobicContact CB-CD2 3.82Å; I123-Y192 HydrophobicContact CB-CE2 3.97Å; I123-Y192 HydrophobicContact CB-CG 4.28Å; I123-Y192 HydrophobicContact CD1-CG 4.41Å; I123-Y192 HydrophobicContact CG2-CD1 3.86Å; I123-Y192 HydrophobicContact CG2-CD2 3.68Å; I123-Y192 HydrophobicContact CG2-CE1 3.87Å; I123-Y192 HydrophobicContact CG2-CE2 3.68Å; I123-Y192 HydrophobicContact CG2-CG 3.78Å; I123-Y199 CarbonylContact O-C 3.52Å; I123-Y199 WeakPolarHBondContact O-CA 3.43Å; I123-L200 PolarHBondContact N-O 2.68Å; I123-L200 PolarHBondContact O-N 3.43Å
124Y95.6Very high95.8Very high62 Ų6235.5 Ų35.524%0.24317%0.167CC..EExtended strand (participates in β ladder)trans-141.9146.9175.568.8-98.6000113D130 Y131 L133 T198Y124-D130 WeakPolarHBondContact O-CA 3.4Å; Y124-Y131 HydrophobicContact CD2-CD2 4.26Å; Y124-Y131 HydrophobicContact CE1-CG 4.49Å; Y124-Y131 AromaticContact CE2-CD2 3.48Å; Y124-Y131 HydrophobicContact CE2-CD2 3.48Å; Y124-Y131 VanDerWaalsContact CE2-CD2 3.48Å; Y124-Y131 HydrophobicContact CE2-CE2 4.35Å; Y124-Y131 AromaticContact CE2-CG 3.94Å; Y124-Y131 HydrophobicContact CE2-CG 3.94Å; Y124-Y131 AromaticContact CZ-CD2 3.82Å; Y124-Y131 AromaticContact CZ-CG 3.8Å; Y124-Y131 PolarHBondContact N-O 2.79Å; Y124-Y131 PolarHBondContact O-N 3.43Å; Y124-L133 HydrophobicContact CD1-CD1 4.13Å; Y124-L133 HydrophobicContact CE1-CD1 3.44Å; Y124-L133 VanDerWaalsContact CE1-CD1 3.44Å; Y124-L133 HydrophobicContact CE1-CD2 4.14Å; Y124-L133 HydrophobicContact CE1-CG 4.45Å; Y124-T198 WeakPolarHBondContact CA-O 3.39Å
125A95.9Very high95.8Very high6 Ų628.9 Ų28.95%0.0514%0.139CC..EExtended strand (participates in β ladder)trans-81135.7-178.600000111.3D130 Y192 T198 Y682A125-D130 VanDerWaalsContact CA-OD1 3.23Å; A125-D130 WeakPolarHBondContact CA-OD1 3.38Å; A125-D130 WeakPolarHBondContact CB-OD1 2.93Å; A125-Y192 WeakPolarHBondContact CB-OH 3.25Å; A125-Y192 PolarHBondContact N-OH 3.45Å; A125-T198 PolarHBondContact N-O 3.25Å; A125-Y682 PolarHBondContact O-OH 2.92Å
126A94.1Very high95.9Very high14 Ų1425.8 Ų25.812%0.11612%0.124CC..  trans-126.2177165.600000109.9E128 G129 Y131 R597A126-E128 VanDerWaalsContact C-N 3.32Å; A126-E128 HydrophobicContact CB-CG 4.47Å; A126-E128 WeakPolarHBondContact CB-OE2 3.36Å; A126-E128 PolarHBondContact O-N 3.11Å; A126-G129 CarbonylContact C-O 3.54Å; A126-G129 WeakPolarHBondContact CA-O 3.42Å; A126-G129 PolarHBondContact N-O 2.9Å; A126-Y131 HydrophobicContact CB-CD2 3.86Å; A126-Y131 HydrophobicContact CB-CE2 3.62Å; A126-R597 WeakPolarHBondContact O-CD 3.05Å; A126-R597 PolarHBondContact O-NH1 2.85Å
127R94.1Very high95.8Very high63 Ų6326.4 Ų26.424%0.23812%0.12CC..SBendtrans-64.5-40.8-178.1-178.6-175-179.683.1-2.1111.3Y682 P683 G684R127-Y682 HydrophobicContact CB-CD1 3.82Å; R127-Y682 HydrophobicContact CB-CE1 4.08Å; R127-Y682 HydrophobicContact CG-CD1 4.27Å; R127-P683 PolarHBondContact NH1-O 3.31Å; R127-P683 PolarHBondContact NH2-O 3.4Å; R127-P683 VanDerWaalsContact NH2-O 3.07Å; R127-G684 PolarHBondContact NH2-O 3.01Å
128E94.3Very high95.6Very high92 Ų9224.7 Ų24.743%0.4311%0.112SC..SBendtrans-80.5-13.3-174.362.3-88.4-153.400114.2A126 Y131 L153 V156A126-E128 VanDerWaalsContact C-N 3.32Å; A126-E128 HydrophobicContact CB-CG 4.47Å; A126-E128 WeakPolarHBondContact CB-OE2 3.36Å; A126-E128 PolarHBondContact O-N 3.11Å; E128-Y131 HydrophobicContact CG-CE2 4.41Å; E128-Y131 WeakPolarHBondContact OE1-CE2 3.48Å; E128-Y131 PolarHBondContact OE1-OH 3.44Å; E128-L153 HydrophobicContact CG-CD1 4Å; E128-L153 HydrophobicContact CG-CD2 3.79Å; E128-V156 PolarHBondContact O-N 2.74Å
129G96.7Very high95.1Very high0 Ų023.8 Ų23.80%011%0.108CC..EExtended strand (participates in β ladder)trans152.3-155.8-174.900000111.7A126 I154 R597A126-G129 CarbonylContact C-O 3.54Å; A126-G129 WeakPolarHBondContact CA-O 3.42Å; A126-G129 PolarHBondContact N-O 2.9Å; G129-I154 CarbonylContact C-O 3.57Å; G129-I154 VanDerWaalsContact CA-O 3.24Å; G129-I154 WeakPolarHBondContact CA-O 3.49Å; G129-R597 PolarHBondContact O-NH1 3.49Å
130D97.6Very high94.4Very high3 Ų327.3 Ų27.32%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-119.3123.4-176.4-62.2-60.6000109.9I123 Y124 A125 I154 F189 Y192 R597I123-D130 HydrophobicContact CG2-CB 4.46Å; Y124-D130 WeakPolarHBondContact O-CA 3.4Å; A125-D130 VanDerWaalsContact CA-OD1 3.23Å; A125-D130 WeakPolarHBondContact CA-OD1 3.38Å; A125-D130 WeakPolarHBondContact CB-OD1 2.93Å; D130-I154 PolarHBondContact N-O 2.75Å; D130-I154 PolarHBondContact O-N 2.93Å; D130-F189 HydrophobicContact CB-CE2 3.82Å; D130-F189 HydrophobicContact CB-CZ 4.23Å; D130-Y192 HydrophobicContact CB-CE1 4.23Å; D130-Y192 PolarHBondContact OD1-OH 3.31Å; D130-R597 VanDerWaalsContact CG-NH1 3.33Å; D130-R597 IonicContact OD1-CZ 2.95Å; D130-R597 IonicContact OD1-NH1 2.64Å; D130-R597 PolarHBondContact OD1-NH1 3.24Å; D130-R597 IonicContact OD1-NH2 2.77Å; D130-R597 PolarHBondContact OD1-NH2 3.41Å; D130-R597 IonicContact OD2-CZ 3.77Å; D130-R597 IonicContact OD2-NH1 2.98Å; D130-R597 PolarHBondContact OD2-NH1 3.35Å; D130-R597 IonicContact OD2-NH2 2.9Å; D130-R597 PolarHBondContact OD2-NH2 3.34Å
131Y96.7Very high93.8Very high56 Ų5632.3 Ų32.322%0.2216%0.157CC..EExtended strand (participates in β ladder)trans-86.3127.9177.5-74.1-86.4000110.1I123 Y124 A126 E128 L152 L153I123-Y131 CarbonylContact C-O 3.4Å; I123-Y131 VanDerWaalsContact CA-O 3.25Å; I123-Y131 WeakPolarHBondContact CA-O 3.47Å; Y124-Y131 HydrophobicContact CD2-CD2 4.26Å; Y124-Y131 HydrophobicContact CE1-CG 4.49Å; Y124-Y131 AromaticContact CE2-CD2 3.48Å; Y124-Y131 HydrophobicContact CE2-CD2 3.48Å; Y124-Y131 VanDerWaalsContact CE2-CD2 3.48Å; Y124-Y131 HydrophobicContact CE2-CE2 4.35Å; Y124-Y131 AromaticContact CE2-CG 3.94Å; Y124-Y131 HydrophobicContact CE2-CG 3.94Å; Y124-Y131 AromaticContact CZ-CD2 3.82Å; Y124-Y131 AromaticContact CZ-CG 3.8Å; Y124-Y131 PolarHBondContact N-O 2.79Å; Y124-Y131 PolarHBondContact O-N 3.43Å; A126-Y131 HydrophobicContact CB-CD2 3.86Å; A126-Y131 HydrophobicContact CB-CE2 3.62Å; E128-Y131 HydrophobicContact CG-CE2 4.41Å; E128-Y131 WeakPolarHBondContact OE1-CE2 3.48Å; E128-Y131 PolarHBondContact OE1-OH 3.44Å; Y131-L152 CarbonylContact C-O 3.59Å; Y131-L152 WeakPolarHBondContact CA-O 3.31Å; Y131-L153 HydrophobicContact CD1-CB 4.13Å; Y131-L153 HydrophobicContact CD1-CD1 4.27Å; Y131-L153 HydrophobicContact CD2-CD1 4.13Å; Y131-L153 HydrophobicContact CE1-CB 3.94Å; Y131-L153 HydrophobicContact CE1-CD1 4.12Å; Y131-L153 HydrophobicContact CE1-CG 4.42Å; Y131-L153 HydrophobicContact CE2-CD1 3.98Å; Y131-L153 HydrophobicContact CG-CD1 4.28Å
132V97.4Very high93Very high1 Ų133 Ų331%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-104.5120.5170.8-172.30000108.6C122 I123 L152 I154 I160 L169 I185 F189C122-V132 CarbonylContact O-C 3.6Å; C122-V132 WeakPolarHBondContact O-CA 3.34Å; I123-V132 HydrophobicContact CG1-CG1 4.37Å; I123-V132 HydrophobicContact CG1-CG2 4.37Å; I123-V132 HydrophobicContact CG2-CG2 4.41Å; V132-L152 HydrophobicContact CB-CB 4.44Å; V132-L152 PolarHBondContact N-O 2.79Å; V132-L152 PolarHBondContact O-N 3.31Å; V132-I154 HydrophobicContact CG2-CG1 4.19Å; V132-I160 HydrophobicContact CG2-CD1 4.24Å; V132-L169 HydrophobicContact CB-CD1 4.05Å; V132-L169 HydrophobicContact CG1-CD1 3.55Å; V132-L169 WeakPolarHBondContact O-CD2 3.38Å; V132-I185 HydrophobicContact CG1-CG2 3.94Å; V132-F189 HydrophobicContact CG2-CD2 3.72Å; V132-F189 HydrophobicContact CG2-CE2 4.06Å
133L96.3Very high92.1Very high3 Ų335.4 Ų35.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-107.2138179.1-84.563.8000109.9Y120 V121 C122 Y124 A149 Q150 K151Y120-L133 HydrophobicContact CE1-CB 4.06Å; V121-L133 WeakPolarHBondContact CA-O 3.09Å; C122-L133 HydrophobicContact CB-CB 4.22Å; C122-L133 PolarHBondContact N-O 3.38Å; C122-L133 PolarHBondContact O-N 2.92Å; Y124-L133 HydrophobicContact CD1-CD1 4.13Å; Y124-L133 HydrophobicContact CE1-CD1 3.44Å; Y124-L133 VanDerWaalsContact CE1-CD1 3.44Å; Y124-L133 HydrophobicContact CE1-CD2 4.14Å; Y124-L133 HydrophobicContact CE1-CG 4.45Å; L133-A149 HydrophobicContact CB-CB 4.23Å; L133-A149 HydrophobicContact CD2-CB 4.38Å; L133-A149 HydrophobicContact CG-CB 4.3Å; L133-Q150 VanDerWaalsContact CA-O 3.3Å; L133-Q150 WeakPolarHBondContact CA-O 3.3Å; L133-K151 HydrophobicContact CD1-CG 3.88Å; L133-K151 HydrophobicContact CG-CG 3.84Å
134F96.8Very high91.2Very high2 Ų240.2 Ų40.21%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-135.8136.5173.3179.5-95.2000112F119 Y120 V121 H136 A149 Q150 L169 L170 A173 L181 I185F119-F134 HydrophobicContact CB-CE2 4.11Å; F119-F134 HydrophobicContact CB-CZ 4.48Å; F119-F134 AromaticContact CD1-CE2 4Å; F119-F134 HydrophobicContact CD1-CE2 4Å; F119-F134 AromaticContact CD1-CZ 3.56Å; F119-F134 HydrophobicContact CD1-CZ 3.56Å; F119-F134 HydrophobicContact CE1-CZ 4.23Å; F119-F134 HydrophobicContact CG-CE2 4.34Å; F119-F134 HydrophobicContact CG-CZ 4.34Å; Y120-F134 WeakPolarHBondContact O-CA 3.17Å; Y120-F134 WeakPolarHBondContact O-CD2 3.28Å; V121-F134 HydrophobicContact CG2-CD2 4.02Å; F134-H136 HydrophobicContact CE1-CB 4.19Å; F134-A149 CarbonylContact O-C 3.54Å; F134-A149 WeakPolarHBondContact O-CA 3.34Å; F134-A149 WeakPolarHBondContact O-CB 3.31Å; F134-Q150 PolarHBondContact N-O 2.66Å; F134-Q150 PolarHBondContact O-N 3.31Å; F134-L169 HydrophobicContact CB-CB 3.99Å; F134-L169 HydrophobicContact CB-CD2 4.19Å; F134-L169 HydrophobicContact CB-CG 4.49Å; F134-L169 VanDerWaalsContact CD1-O 3.24Å; F134-L169 WeakPolarHBondContact CD1-O 3.39Å; F134-L170 HydrophobicContact CD1-CD2 3.84Å; F134-L170 HydrophobicContact CD2-CD2 3.84Å; F134-L170 HydrophobicContact CE1-CD2 3.62Å; F134-L170 HydrophobicContact CE2-CD2 3.62Å; F134-L170 HydrophobicContact CG-CD2 3.94Å; F134-L170 HydrophobicContact CZ-CD2 3.49Å; F134-L170 VanDerWaalsContact CZ-CD2 3.49Å; F134-A173 HydrophobicContact CE1-CB 4.06Å; F134-A173 HydrophobicContact CZ-CB 4.08Å; F134-L181 HydrophobicContact CE2-CD1 4.24Å; F134-L181 HydrophobicContact CE2-CD2 4.22Å; F134-L181 HydrophobicContact CZ-CD1 4.02Å; F134-I185 HydrophobicContact CD2-CD1 3.98Å; F134-I185 HydrophobicContact CE2-CD1 4.44Å
135H95.2Very high90.5Very high14 Ų1438 Ų387%0.06521%0.205CC..EExtended strand (participates in β ladder)trans-134.8133.3167.3-154.456.2000111.6Y120 E137 K148 A149Y120-H135 PolarHBondContact N-O 3.09Å; Y120-H135 PolarHBondContact O-N 2.82Å; H135-E137 VanDerWaalsContact C-N 3.27Å; H135-E137 PolarHBondContact CD2-O 3.2Å; H135-E137 PolarHBondContact O-N 2.97Å; H135-K148 PolarHBondContact CE1-O 2.83Å; H135-K148 VanDerWaalsContact CE1-O 3.29Å; H135-K148 PolarHBondContact ND1-O 2.8Å; H135-A149 HydrophobicContact CB-CB 4.27Å
136H93.6Very high89.5Confident51 Ų5141.5 Ų41.524%0.23622%0.223CC..SBendtrans-72.8-13.8-179.968.3-37.8000115.1F134 K172F134-H136 HydrophobicContact CE1-CB 4.19Å; H136-K172 HydrophobicContact CB-CB 4.46Å; H136-K172 PolarHBondContact CD2-O 3.36Å
137E91.5Very high88.8Confident116 Ų11644.6 Ų44.654%0.54225%0.249SC..SBendtrans-113.680.4177-66.9175.9177.900108.1H135 V142H135-E137 VanDerWaalsContact C-N 3.27Å; H135-E137 PolarHBondContact CD2-O 3.2Å; H135-E137 PolarHBondContact O-N 2.97Å; E137-V142 WeakPolarHBondContact O-CG2 3.4Å
138G90.1Very high88.5Confident2 Ų246.2 Ų46.22%0.02126%0.257CS..  trans-74.8-168.4177.300000113.3Q115 E118Q115-G138 PolarHBondContact NE2-O 2.8Å; E118-G138 PolarHBondContact O-N 3Å
139G87.7Confident88.2Confident1 Ų142.3 Ų42.31%0.0124%0.241CC..SBendtrans102.5-171.7171.400000114.9E118 D141 N203E118-G139 WeakPolarHBondContact OE2-CA 3.47Å; E118-G139 PolarHBondContact OE2-N 3.01Å; G139-D141 PolarHBondContact O-N 2.7Å; G139-N203 PolarHBondContact N-OD1 3Å; G139-N203 PolarHBondContact O-ND2 3.44Å; G139-N203 PolarHBondContact O-OD1 3.24Å
140V81.5Confident88.1Confident76 Ų7645.2 Ų45.246%0.46125%0.254SS..THydrogen-bonded Turntrans-66.7-21.9-174.9890000112.9K68K68-V140 WeakPolarHBondContact CE-O 3.5Å; K68-V140 HydrophobicContact CG-CG2 3.78Å; K68-V140 PolarHBondContact NZ-O 3.43Å
141D83.4Confident87.9Confident115 Ų11549.2 Ų49.262%0.61527%0.272SS*.THydrogen-bonded Turntrans-110.519.7-173.5-69.3-41.8000114.6K68 G139 G143K68-D141 WeakPolarHBondContact CE-OD1 3.43Å; K68-D141 IonicContact NZ-OD1 2.79Å; K68-D141 PolarHBondContact NZ-OD1 2.57Å; G139-D141 PolarHBondContact O-N 2.7Å; D141-G143 PolarHBondContact O-N 2.82Å
142V79.6Confident87.9Confident14 Ų1446.8 Ų46.89%0.08526%0.262CS..  trans-54.1-29.7176.766.80000113.5E137 V145 K148E137-V142 WeakPolarHBondContact O-CG2 3.4Å; V142-V145 HydrophobicContact CB-CG2 4.15Å; V142-V145 HydrophobicContact CG1-CG2 3.45Å; V142-V145 VanDerWaalsContact CG1-CG2 3.45Å; V142-V145 HydrophobicContact CG2-CB 4.46Å; V142-V145 HydrophobicContact CG2-CG1 4.19Å; V142-V145 HydrophobicContact CG2-CG2 3.63Å; V142-K148 WeakPolarHBondContact O-CD 3.38Å; V142-K148 PolarHBondContact O-NZ 3.38Å
143G78.9Confident87.8Confident52 Ų5249.8 Ų49.854%0.53628%0.278SS..  trans77.1-14117700000113D141 V145D141-G143 PolarHBondContact O-N 2.82Å; G143-V145 WeakPolarHBondContact O-CG2 3.14Å; G143-V145 PolarHBondContact O-N 3.05Å; G143-V145 VanDerWaalsContact O-N 3.13Å
144D78.9Confident87.9Confident101 Ų10149.7 Ų49.754%0.5428%0.278SS..  trans-77.292.9175.9-177.35.9000110.7D146 A147 K148D144-D146 VanDerWaalsContact C-N 3.3Å; D144-D146 PolarHBondContact O-N 3.35Å; D144-D146 PolarHBondContact OD1-N 3.33Å; D144-A147 PolarHBondContact O-N 3.23Å; D144-K148 VanDerWaalsContact O-CG 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.36Å; D144-K148 PolarHBondContact O-N 3.14Å
145V80Confident87.9Confident16 Ų1650.2 Ų50.210%0.09728%0.284CS..Hα-helixtrans-71-29.1-173.8-161.60000111.9Y120 V142 G143 A147 K148 A149Y120-V145 HydrophobicContact CD1-CG1 3.49Å; Y120-V145 VanDerWaalsContact CD1-CG1 3.49Å; Y120-V145 HydrophobicContact CD2-CG1 4.18Å; Y120-V145 HydrophobicContact CD2-CG2 4.49Å; Y120-V145 HydrophobicContact CE1-CB 4.33Å; Y120-V145 HydrophobicContact CE1-CG1 3.32Å; Y120-V145 HydrophobicContact CE2-CG1 4.06Å; Y120-V145 HydrophobicContact CE2-CG2 4.17Å; Y120-V145 HydrophobicContact CG-CG1 3.92Å; V142-V145 HydrophobicContact CB-CG2 4.15Å; V142-V145 HydrophobicContact CG1-CG2 3.45Å; V142-V145 VanDerWaalsContact CG1-CG2 3.45Å; V142-V145 HydrophobicContact CG2-CB 4.46Å; V142-V145 HydrophobicContact CG2-CG1 4.19Å; V142-V145 HydrophobicContact CG2-CG2 3.63Å; G143-V145 WeakPolarHBondContact O-CG2 3.14Å; G143-V145 PolarHBondContact O-N 3.05Å; G143-V145 VanDerWaalsContact O-N 3.13Å; V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 PolarHBondContact O-N 3.43Å; V145-K148 PolarHBondContact O-N 3.32Å; V145-A149 HydrophobicContact CG1-CB 3.76Å; V145-A149 WeakPolarHBondContact O-CB 3.41Å; V145-A149 PolarHBondContact O-N 3.24Å
146D75.1Confident87.9Confident79 Ų7950.2 Ų50.242%0.42229%0.285SS..Hα-helixtrans-65.1-31.6-179.9-90.3-62.3000113.1D144 K151D144-D146 VanDerWaalsContact C-N 3.3Å; D144-D146 PolarHBondContact O-N 3.35Å; D144-D146 PolarHBondContact OD1-N 3.33Å; D146-K151 WeakPolarHBondContact O-CE 3.33Å; D146-K151 PolarHBondContact O-NZ 3.22Å; D146-K151 IonicContact OD1-NZ 2.67Å; D146-K151 PolarHBondContact OD1-NZ 3.36Å
147A79.3Confident87.9Confident80 Ų8051.9 Ų51.966%0.66130%0.295SS*.Hα-helixtrans-85.4-30.2175.300000113.1D144 V145D144-A147 PolarHBondContact O-N 3.23Å; V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 PolarHBondContact O-N 3.43Å
148K87.1Confident88.1Confident96 Ų9651.3 Ų51.342%0.41729%0.292SS..Hα-helixtrans-95.3-33.2-171.6-68.7179.1179.9-174.60114.8H135 V142 D144 V145H135-K148 PolarHBondContact CE1-O 2.83Å; H135-K148 VanDerWaalsContact CE1-O 3.29Å; H135-K148 PolarHBondContact ND1-O 2.8Å; V142-K148 WeakPolarHBondContact O-CD 3.38Å; V142-K148 PolarHBondContact O-NZ 3.38Å; D144-K148 VanDerWaalsContact O-CG 3.32Å; D144-K148 WeakPolarHBondContact O-CG 3.36Å; D144-K148 PolarHBondContact O-N 3.14Å; V145-K148 PolarHBondContact O-N 3.32Å
149A88.9Confident88.3Confident10 Ų1060 Ų608%0.08333%0.33CS..SBendtrans-72.3149.4-17400000112L133 F134 H135 V145L133-A149 HydrophobicContact CB-CB 4.23Å; L133-A149 HydrophobicContact CD2-CB 4.38Å; L133-A149 HydrophobicContact CG-CB 4.3Å; F134-A149 CarbonylContact O-C 3.54Å; F134-A149 WeakPolarHBondContact O-CA 3.34Å; F134-A149 WeakPolarHBondContact O-CB 3.31Å; H135-A149 HydrophobicContact CB-CB 4.27Å; V145-A149 HydrophobicContact CG1-CB 3.76Å; V145-A149 WeakPolarHBondContact O-CB 3.41Å; V145-A149 PolarHBondContact O-N 3.24Å
150Q93.7Very high88.7Confident61 Ų6160.6 Ų60.629%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-69140.4162.8-58.2-57.7-74.800108.4L133 F134 L169L133-Q150 VanDerWaalsContact CA-O 3.3Å; L133-Q150 WeakPolarHBondContact CA-O 3.3Å; F134-Q150 PolarHBondContact N-O 2.66Å; F134-Q150 PolarHBondContact O-N 3.31Å; Q150-L169 HydrophobicContact CB-CD2 3.93Å; Q150-L169 WeakPolarHBondContact CG-O 3.32Å
151K94.3Very high89.4Confident88 Ų8859.5 Ų59.538%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-122.7128.8-177-74.6179.3171.9-179.80109.4L133 D146L133-K151 HydrophobicContact CD1-CG 3.88Å; L133-K151 HydrophobicContact CG-CG 3.84Å; D146-K151 WeakPolarHBondContact O-CE 3.33Å; D146-K151 PolarHBondContact O-NZ 3.22Å; D146-K151 IonicContact OD1-NZ 2.67Å; D146-K151 PolarHBondContact OD1-NZ 3.36Å
152L95.8Very high90Very high4 Ų457.2 Ų57.22%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-124.4125.3173.9173.562.8000108.4Y131 V132 I154 I160 Q164 E168 L169Y131-L152 CarbonylContact C-O 3.59Å; Y131-L152 WeakPolarHBondContact CA-O 3.31Å; V132-L152 HydrophobicContact CB-CB 4.44Å; V132-L152 PolarHBondContact N-O 2.79Å; V132-L152 PolarHBondContact O-N 3.31Å; L152-I154 HydrophobicContact CD1-CD1 4.45Å; L152-I154 HydrophobicContact CD2-CD1 3.85Å; L152-I154 HydrophobicContact CG-CD1 3.86Å; L152-I160 HydrophobicContact CD2-CD1 4.36Å; L152-Q164 HydrophobicContact CD1-CG 4.15Å; L152-Q164 HydrophobicContact CD2-CG 4.11Å; L152-E168 HydrophobicContact CD1-CB 4.42Å; L152-E168 VanDerWaalsContact CD1-OE2 3.25Å; L152-E168 WeakPolarHBondContact CD1-OE2 3.5Å; L152-L169 HydrophobicContact CB-CD1 3.99Å; L152-L169 HydrophobicContact CB-CD2 3.62Å; L152-L169 HydrophobicContact CB-CG 3.78Å; L152-L169 HydrophobicContact CD2-CD1 3.94Å; L152-L169 HydrophobicContact CD2-CG 4.14Å
153L96.7Very high90.8Very high65 Ų6561.2 Ų61.234%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-94.3125.4173175.163000109.1E128 Y131E128-L153 HydrophobicContact CG-CD1 4Å; E128-L153 HydrophobicContact CG-CD2 3.79Å; Y131-L153 HydrophobicContact CD1-CB 4.13Å; Y131-L153 HydrophobicContact CD1-CD1 4.27Å; Y131-L153 HydrophobicContact CD2-CD1 4.13Å; Y131-L153 HydrophobicContact CE1-CB 3.94Å; Y131-L153 HydrophobicContact CE1-CD1 4.12Å; Y131-L153 HydrophobicContact CE1-CG 4.42Å; Y131-L153 HydrophobicContact CE2-CD1 3.98Å; Y131-L153 HydrophobicContact CG-CD1 4.28Å
154I97.8Very high91.5Very high1 Ų160.6 Ų60.61%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-99.1115.4167.1-50.8-57.1000107.4G129 D130 V132 L152 E158 I160 F189G129-I154 CarbonylContact C-O 3.57Å; G129-I154 VanDerWaalsContact CA-O 3.24Å; G129-I154 WeakPolarHBondContact CA-O 3.49Å; D130-I154 PolarHBondContact N-O 2.75Å; D130-I154 PolarHBondContact O-N 2.93Å; V132-I154 HydrophobicContact CG2-CG1 4.19Å; L152-I154 HydrophobicContact CD1-CD1 4.45Å; L152-I154 HydrophobicContact CD2-CD1 3.85Å; L152-I154 HydrophobicContact CG-CD1 3.86Å; I154-E158 HydrophobicContact CG2-CB 4.09Å; I154-I160 HydrophobicContact CD1-CB 3.9Å; I154-I160 HydrophobicContact CD1-CD1 4.1Å; I154-I160 HydrophobicContact CD1-CG1 3.84Å; I154-I160 HydrophobicContact CG1-CB 4.23Å; I154-I160 HydrophobicContact CG1-CD1 4.31Å; I154-I160 HydrophobicContact CG1-CG1 4.42Å; I154-F189 HydrophobicContact CB-CE1 4.46Å; I154-F189 HydrophobicContact CB-CE2 3.91Å; I154-F189 HydrophobicContact CB-CZ 3.63Å; I154-F189 HydrophobicContact CG1-CD2 4.37Å; I154-F189 HydrophobicContact CG1-CE2 3.74Å; I154-F189 HydrophobicContact CG1-CZ 3.84Å; I154-F189 HydrophobicContact CG2-CE1 3.98Å; I154-F189 HydrophobicContact CG2-CE2 4.32Å; I154-F189 HydrophobicContact CG2-CZ 3.55Å
155G96.8Very high92.3Very high13 Ų1355.8 Ų55.813%0.13429%0.292CS..EExtended strand (participates in β ladder)trans-65.2157.9-178.500000112.4D157 E158G155-D157 PolarHBondContact O-N 3.21Å; G155-E158 WeakPolarHBondContact CA-OE2 3.39Å; G155-E158 PolarHBondContact N-OE2 2.78Å; G155-E158 VanDerWaalsContact O-CB 3.29Å; G155-E158 WeakPolarHBondContact O-CB 3.22Å; G155-E158 PolarHBondContact O-N 2.87Å
156V95.9Very high93.1Very high14 Ų1458 Ų589%0.08530%0.3CS..THydrogen-bonded Turntrans-55.1129.9174.8179.90000110.2E128 E158 R597 K598 K601E128-V156 PolarHBondContact O-N 2.74Å; V156-E158 PolarHBondContact O-N 2.94Å; V156-R597 HydrophobicContact CG1-CB 4.21Å; V156-R597 HydrophobicContact CG2-CB 3.88Å; V156-K598 HydrophobicContact CG1-CB 4.36Å; V156-K598 HydrophobicContact CG1-CG 3.74Å; V156-K601 HydrophobicContact CB-CD 4Å; V156-K601 HydrophobicContact CG1-CB 4.37Å; V156-K601 HydrophobicContact CG1-CD 4.17Å; V156-K601 WeakPolarHBondContact O-CD 3.41Å; V156-K601 PolarHBondContact O-NZ 2.87Å
157D93.2Very high94.1Very high86 Ų8662 Ų6246%0.4631%0.31SS..THydrogen-bonded Turntrans63.911-174.3-63.2-43.5000115.8G155 K598G155-D157 PolarHBondContact O-N 3.21Å; D157-K598 VanDerWaalsContact OD1-CD 3.28Å; D157-K598 WeakPolarHBondContact OD1-CD 3.41Å; D157-K598 WeakPolarHBondContact OD1-CE 3.12Å; D157-K598 IonicContact OD1-NZ 2.88Å; D157-K598 PolarHBondContact OD1-NZ 3.29Å
158E95.7Very high94.8Very high103 Ų10362.2 Ų62.248%0.48130%0.297SS..  trans-88.1163.2169.5-60.8-176.5171.100111.3I154 G155 V156I154-E158 HydrophobicContact CG2-CB 4.09Å; G155-E158 WeakPolarHBondContact CA-OE2 3.39Å; G155-E158 PolarHBondContact N-OE2 2.78Å; G155-E158 VanDerWaalsContact O-CB 3.29Å; G155-E158 WeakPolarHBondContact O-CB 3.22Å; G155-E158 PolarHBondContact O-N 2.87Å; V156-E158 PolarHBondContact O-N 2.94Å
159K94.4Very high95.2Very high186 Ų18657.7 Ų57.781%0.80928%0.277SS*.  trans-116139.4177.6-66.7-172.7176.6-174.30110.4
160I96Very high95.5Very high13 Ų1357.2 Ų57.27%0.06727%0.273CS..  trans-77.7146.7169.9-165.7169.1000110.9V132 L152 I154 V165 I185 V186 F189V132-I160 HydrophobicContact CG2-CD1 4.24Å; L152-I160 HydrophobicContact CD2-CD1 4.36Å; I154-I160 HydrophobicContact CD1-CB 3.9Å; I154-I160 HydrophobicContact CD1-CD1 4.1Å; I154-I160 HydrophobicContact CD1-CG1 3.84Å; I154-I160 HydrophobicContact CG1-CB 4.23Å; I154-I160 HydrophobicContact CG1-CD1 4.31Å; I154-I160 HydrophobicContact CG1-CG1 4.42Å; I160-V165 HydrophobicContact CD1-CG2 3.6Å; I160-V165 HydrophobicContact CG1-CG2 3.76Å; I160-I185 HydrophobicContact CD1-CG2 4.34Å; I160-V186 HydrophobicContact CG1-CG2 4.36Å; I160-V186 HydrophobicContact CG2-CB 4.42Å; I160-V186 HydrophobicContact CG2-CG1 4.17Å; I160-V186 HydrophobicContact CG2-CG2 4.25Å; I160-F189 HydrophobicContact CB-CD1 4.05Å; I160-F189 HydrophobicContact CB-CE1 4.44Å; I160-F189 HydrophobicContact CB-CG 4.33Å; I160-F189 HydrophobicContact CD1-CB 4.28Å; I160-F189 HydrophobicContact CD1-CD2 4.48Å; I160-F189 HydrophobicContact CD1-CG 4.28Å; I160-F189 HydrophobicContact CG2-CB 3.86Å; I160-F189 HydrophobicContact CG2-CD1 3.42Å; I160-F189 VanDerWaalsContact CG2-CD1 3.42Å; I160-F189 HydrophobicContact CG2-CE1 4.2Å; I160-F189 HydrophobicContact CG2-CG 3.77Å
161S96.3Very high95.5Very high53 Ų5357.5 Ų57.537%0.37128%0.279SS..  trans-129.8152.9174.266.60000111.9D163 Q164 V165S161-D163 VanDerWaalsContact C-N 3.26Å; S161-D163 PolarHBondContact O-N 3.07Å; S161-Q164 WeakPolarHBondContact O-CB 3.05Å; S161-Q164 PolarHBondContact O-N 2.94Å; S161-Q164 WeakPolarHBondContact OG-CB 3.45Å; S161-Q164 PolarHBondContact OG-N 3.33Å; S161-V165 WeakPolarHBondContact O-CG2 3.3Å; S161-V165 PolarHBondContact O-N 2.65Å; S161-V165 VanDerWaalsContact O-N 3.08Å
162E96Very high95.4Very high67 Ų6759.2 Ų59.231%0.31329%0.287SS..Hα-helixtrans-60.1-37.4179-72.8-168.3-166.300112.6Q164 V165 K166 A182 V186E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-V165 PolarHBondContact O-N 2.85Å; E162-K166 WeakPolarHBondContact O-CB 3.48Å; E162-K166 VanDerWaalsContact O-CG 3.24Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 IonicContact OE2-NZ 3.74Å; E162-K166 PolarHBondContact OE2-NZ 3.06Å; E162-A182 HydrophobicContact CB-CB 4.12Å; E162-A182 HydrophobicContact CG-CB 4.24Å; E162-V186 HydrophobicContact CG-CG2 3.95Å
163D95.4Very high95.3Very high98 Ų9859.3 Ų59.352%0.52429%0.288SS..Hα-helixtrans-66.2-39-179.7-70.7-19.6000111.5S161 K166 R167S161-D163 VanDerWaalsContact C-N 3.26Å; S161-D163 PolarHBondContact O-N 3.07Å; D163-K166 PolarHBondContact O-N 2.83Å; D163-R167 WeakPolarHBondContact O-CB 3.5Å; D163-R167 VanDerWaalsContact O-CG 3.3Å; D163-R167 WeakPolarHBondContact O-CG 3.44Å; D163-R167 PolarHBondContact O-N 2.95Å
164Q94.9Very high95.2Very high38 Ų3858.5 Ų58.518%0.17829%0.287CS..Hα-helixtrans-62.9-47.1173.9-168.4178.916.100111L152 S161 E162 K166 R167 E168L152-Q164 HydrophobicContact CD1-CG 4.15Å; L152-Q164 HydrophobicContact CD2-CG 4.11Å; S161-Q164 WeakPolarHBondContact O-CB 3.05Å; S161-Q164 PolarHBondContact O-N 2.94Å; S161-Q164 WeakPolarHBondContact OG-CB 3.45Å; S161-Q164 PolarHBondContact OG-N 3.33Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; Q164-K166 PolarHBondContact O-N 3.4Å; Q164-R167 PolarHBondContact O-N 3.15Å; Q164-E168 VanDerWaalsContact CG-OE1 3.3Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.17Å; Q164-E168 WeakPolarHBondContact O-CB 3.41Å; Q164-E168 PolarHBondContact O-N 3.47Å
165V96Very high94.8Very high0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-59.3-45176.9172.80000111.5I160 S161 E162 R167 L169 L170 A182 I185 V186I160-V165 HydrophobicContact CD1-CG2 3.6Å; I160-V165 HydrophobicContact CG1-CG2 3.76Å; S161-V165 WeakPolarHBondContact O-CG2 3.3Å; S161-V165 PolarHBondContact O-N 2.65Å; S161-V165 VanDerWaalsContact O-N 3.08Å; E162-V165 PolarHBondContact O-N 2.85Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.29Å; V165-L169 HydrophobicContact CG1-CB 4.35Å; V165-L169 HydrophobicContact CG1-CD1 4.31Å; V165-L169 HydrophobicContact CG2-CD1 4.44Å; V165-L169 WeakPolarHBondContact O-CB 3.5Å; V165-L169 PolarHBondContact O-N 3.09Å; V165-L170 HydrophobicContact CG1-CD1 3.89Å; V165-L170 HydrophobicContact CG1-CG 3.91Å; V165-L170 PolarHBondContact O-N 3.46Å; V165-A182 HydrophobicContact CB-CB 4.45Å; V165-A182 HydrophobicContact CG1-CB 4.15Å; V165-I185 HydrophobicContact CG1-CB 4.17Å; V165-I185 HydrophobicContact CG1-CD1 3.9Å; V165-I185 HydrophobicContact CG1-CG2 4.1Å; V165-I185 HydrophobicContact CG2-CG2 4.03Å; V165-V186 HydrophobicContact CG2-CG2 4.12Å
166K95.6Very high94.6Very high62 Ų6270.2 Ų70.227%0.2735%0.346SS..Hα-helixtrans-61-41.5178.3-73.3165.5-166.6158.50112.2E162 D163 Q164 A182E162-K166 WeakPolarHBondContact O-CB 3.48Å; E162-K166 VanDerWaalsContact O-CG 3.24Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.19Å; E162-K166 IonicContact OE2-NZ 3.74Å; E162-K166 PolarHBondContact OE2-NZ 3.06Å; D163-K166 PolarHBondContact O-N 2.83Å; Q164-K166 PolarHBondContact O-N 3.4Å; K166-A182 HydrophobicContact CD-CB 4.27Å; K166-A182 HydrophobicContact CG-CB 3.76Å
167R95.5Very high94.5Very high165 Ų16570.6 Ų70.662%0.62335%0.347SS*.Hα-helixtrans-76.2-40.5-177.1-72.5-172-50.2-123.71.6113.4D163 Q164 V165 T171D163-R167 WeakPolarHBondContact O-CB 3.5Å; D163-R167 VanDerWaalsContact O-CG 3.3Å; D163-R167 WeakPolarHBondContact O-CG 3.44Å; D163-R167 PolarHBondContact O-N 2.95Å; Q164-R167 PolarHBondContact O-N 3.15Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.29Å; R167-T171 WeakPolarHBondContact O-CG2 3.2Å
168E95.2Very high94.6Very high83 Ų8368.6 Ų68.639%0.38833%0.334SS..Hα-helixtrans-104.1-39.8-167.3-63.7-178.4-129.300112.8L152 Q164L152-E168 HydrophobicContact CD1-CB 4.42Å; L152-E168 VanDerWaalsContact CD1-OE2 3.25Å; L152-E168 WeakPolarHBondContact CD1-OE2 3.5Å; Q164-E168 VanDerWaalsContact CG-OE1 3.3Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.17Å; Q164-E168 WeakPolarHBondContact O-CB 3.41Å; Q164-E168 PolarHBondContact O-N 3.47Å
169L94.9Very high94.6Very high1 Ų166.6 Ų66.61%0.00534%0.335CS..THydrogen-bonded Turntrans-94-43.7-177.4-67.6178.8000112.9V132 F134 Q150 L152 V165 T171 I185V132-L169 HydrophobicContact CB-CD1 4.05Å; V132-L169 HydrophobicContact CG1-CD1 3.55Å; V132-L169 WeakPolarHBondContact O-CD2 3.38Å; F134-L169 HydrophobicContact CB-CB 3.99Å; F134-L169 HydrophobicContact CB-CD2 4.19Å; F134-L169 HydrophobicContact CB-CG 4.49Å; F134-L169 VanDerWaalsContact CD1-O 3.24Å; F134-L169 WeakPolarHBondContact CD1-O 3.39Å; Q150-L169 HydrophobicContact CB-CD2 3.93Å; Q150-L169 WeakPolarHBondContact CG-O 3.32Å; L152-L169 HydrophobicContact CB-CD1 3.99Å; L152-L169 HydrophobicContact CB-CD2 3.62Å; L152-L169 HydrophobicContact CB-CG 3.78Å; L152-L169 HydrophobicContact CD2-CD1 3.94Å; L152-L169 HydrophobicContact CD2-CG 4.14Å; V165-L169 HydrophobicContact CG1-CB 4.35Å; V165-L169 HydrophobicContact CG1-CD1 4.31Å; V165-L169 HydrophobicContact CG2-CD1 4.44Å; V165-L169 WeakPolarHBondContact O-CB 3.5Å; V165-L169 PolarHBondContact O-N 3.09Å; L169-T171 VanDerWaalsContact C-N 3.28Å; L169-T171 PolarHBondContact O-N 3.28Å; L169-I185 HydrophobicContact CD1-CG2 4.44Å
170L95.9Very high94.6Very high0 Ų059.6 Ų59.60%031%0.306CS..  trans-91.123.4-170.2-55.8-177.8000113.7F134 V165 K172 A173 K178 L181 A182 I185F134-L170 HydrophobicContact CD1-CD2 3.84Å; F134-L170 HydrophobicContact CD2-CD2 3.84Å; F134-L170 HydrophobicContact CE1-CD2 3.62Å; F134-L170 HydrophobicContact CE2-CD2 3.62Å; F134-L170 HydrophobicContact CG-CD2 3.94Å; F134-L170 HydrophobicContact CZ-CD2 3.49Å; F134-L170 VanDerWaalsContact CZ-CD2 3.49Å; V165-L170 HydrophobicContact CG1-CD1 3.89Å; V165-L170 HydrophobicContact CG1-CG 3.91Å; V165-L170 PolarHBondContact O-N 3.46Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 2.91Å; L170-A173 HydrophobicContact CB-CB 3.98Å; L170-A173 HydrophobicContact CD2-CB 4.18Å; L170-A173 PolarHBondContact O-N 3.02Å; L170-A173 VanDerWaalsContact O-N 3.17Å; L170-K178 HydrophobicContact CB-CG 4.29Å; L170-K178 HydrophobicContact CD1-CB 4.43Å; L170-K178 WeakPolarHBondContact CD1-O 3.35Å; L170-K178 WeakPolarHBondContact O-CE 3.22Å; L170-K178 PolarHBondContact O-NZ 3.49Å; L170-L181 HydrophobicContact CD1-CB 3.75Å; L170-L181 HydrophobicContact CD2-CB 4.07Å; L170-L181 HydrophobicContact CD2-CD1 4.21Å; L170-A182 HydrophobicContact CD1-CB 3.97Å; L170-I185 HydrophobicContact CD2-CD1 3.96Å
171T93.3Very high94.7Very high67 Ų6759 Ų5941%0.41130%0.303SS..THydrogen-bonded Turntrans-56.4-40.6-177.653.20000112.5R167 L169R167-T171 WeakPolarHBondContact O-CG2 3.2Å; L169-T171 VanDerWaalsContact C-N 3.28Å; L169-T171 PolarHBondContact O-N 3.28Å
172K93.3Very high94.7Very high124 Ų12456.5 Ų56.554%0.53929%0.286SS..THydrogen-bonded Turntrans-98.21.1-179.8-59.4-175.8-179.5-179.30114.6H136 L170H136-K172 HydrophobicContact CB-CB 4.46Å; H136-K172 PolarHBondContact CD2-O 3.36Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 2.91Å
173A93.2Very high94.8Very high6 Ų653.6 Ų53.65%0.0527%0.273CS..SBendtrans-75.7149.4179.100000111.5F134 L170 N175 K178 L181F134-A173 HydrophobicContact CE1-CB 4.06Å; F134-A173 HydrophobicContact CZ-CB 4.08Å; L170-A173 HydrophobicContact CB-CB 3.98Å; L170-A173 HydrophobicContact CD2-CB 4.18Å; L170-A173 PolarHBondContact O-N 3.02Å; L170-A173 VanDerWaalsContact O-N 3.17Å; A173-N175 PolarHBondContact O-N 3.26Å; A173-K178 HydrophobicContact CB-CG 4.26Å; A173-K178 WeakPolarHBondContact O-CE 3.36Å; A173-L181 HydrophobicContact CB-CD1 4.08Å
174P93.1Very high94.9Very high49 Ų4949 Ų4932%0.31825%0.248SC..  trans-56.4133.4173.8-24.334.3000112D176 K177 K178P174-D176 VanDerWaalsContact C-N 3.28Å; P174-D176 WeakPolarHBondContact CB-OD1 3.27Å; P174-D176 PolarHBondContact O-N 3Å; P174-K177 HydrophobicContact CB-CB 4.41Å; P174-K177 HydrophobicContact CB-CG 4.37Å; P174-K177 HydrophobicContact CG-CD 4.47Å; P174-K177 PolarHBondContact O-N 3.39Å; P174-K178 WeakPolarHBondContact O-CG 3.35Å; P174-K178 PolarHBondContact O-N 3.23Å
175N91.2Very high95.1Very high132 Ų13247.1 Ų47.171%0.70624%0.24SC*.G310 helixtrans-59.6-36.6-172.4-75.8-28.5000113.3A173 K177 K178A173-N175 PolarHBondContact O-N 3.26Å; N175-K177 PolarHBondContact O-N 3.08Å; N175-K178 PolarHBondContact O-N 2.95Å; N175-K178 WeakPolarHBondContact OD1-CE 3.2Å; N175-K178 PolarHBondContact OD1-NZ 3.44Å; N175-K178 VanDerWaalsContact OD1-NZ 3.08Å
176D92.3Very high95.2Very high127 Ų12748.2 Ų48.268%0.67925%0.246SC*.G310 helixtrans-64.6-25.1175.760.9-49.7000112.9P174P174-D176 VanDerWaalsContact C-N 3.28Å; P174-D176 WeakPolarHBondContact CB-OD1 3.27Å; P174-D176 PolarHBondContact O-N 3Å
177K93.9Very high95.3Very high22 Ų2245.3 Ų45.310%0.09623%0.234CC..G310 helixtrans-99.9-7.6-179.1-60-172.9-179.7-172.80114.1E117 F119 P174 N175 A179 I180 L181 V207E117-K177 IonicContact OE1-NZ 2.82Å; F119-K177 HydrophobicContact CE2-CD 4.08Å; F119-K177 HydrophobicContact CZ-CD 3.86Å; P174-K177 HydrophobicContact CB-CB 4.41Å; P174-K177 HydrophobicContact CB-CG 4.37Å; P174-K177 HydrophobicContact CG-CD 4.47Å; P174-K177 PolarHBondContact O-N 3.39Å; N175-K177 PolarHBondContact O-N 3.08Å; K177-A179 PolarHBondContact O-N 3.07Å; K177-I180 HydrophobicContact CB-CG2 4.34Å; K177-I180 WeakPolarHBondContact O-CG2 3.35Å; K177-L181 HydrophobicContact CB-CD1 4.12Å; K177-L181 WeakPolarHBondContact O-CB 3.49Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 3.05Å; K177-V207 HydrophobicContact CD-CB 4.43Å; K177-V207 HydrophobicContact CD-CG1 4.32Å; K177-V207 WeakPolarHBondContact CE-O 3.4Å; K177-V207 PolarHBondContact NZ-O 3.44Å
178K95.1Very high95.4Very high45 Ų4537.5 Ų37.520%0.19620%0.204CC..Hα-helixtrans-62-42.4-175.7-73.6-174-175.6-175.70113.5L170 A173 P174 N175 A182L170-K178 HydrophobicContact CB-CG 4.29Å; L170-K178 HydrophobicContact CD1-CB 4.43Å; L170-K178 WeakPolarHBondContact CD1-O 3.35Å; L170-K178 WeakPolarHBondContact O-CE 3.22Å; L170-K178 PolarHBondContact O-NZ 3.49Å; A173-K178 HydrophobicContact CB-CG 4.26Å; A173-K178 WeakPolarHBondContact O-CE 3.36Å; P174-K178 WeakPolarHBondContact O-CG 3.35Å; P174-K178 PolarHBondContact O-N 3.23Å; N175-K178 PolarHBondContact O-N 2.95Å; N175-K178 WeakPolarHBondContact OD1-CE 3.2Å; N175-K178 PolarHBondContact OD1-NZ 3.44Å; N175-K178 VanDerWaalsContact OD1-NZ 3.08Å; K178-A182 VanDerWaalsContact O-CB 3.24Å; K178-A182 WeakPolarHBondContact O-CB 3.22Å; K178-A182 PolarHBondContact O-N 3.37Å
179A94.5Very high95.6Very high61 Ų6133.5 Ų33.550%0.50419%0.186SC..Hα-helixtrans-65.7-46.9-177.500000111.9K177 A182 S183K177-A179 PolarHBondContact O-N 3.07Å; A179-A182 PolarHBondContact O-N 3.42Å; A179-S183 PolarHBondContact O-N 3.46Å; A179-S183 VanDerWaalsContact O-N 3.1Å
180I96.1Very high95.7Very high39 Ų3936.6 Ų36.620%0.220%0.203CC..Hα-helixtrans-66.2-41178.9-169.9171.3000111.7A23 P24 K177 F184 V207 V212A23-I180 HydrophobicContact CB-CD1 4.43Å; A23-I180 HydrophobicContact CB-CG1 3.61Å; P24-I180 HydrophobicContact CG-CD1 4.38Å; K177-I180 HydrophobicContact CB-CG2 4.34Å; K177-I180 WeakPolarHBondContact O-CG2 3.35Å; I180-F184 WeakPolarHBondContact O-CB 3.23Å; I180-F184 PolarHBondContact O-N 3.07Å; I180-V207 HydrophobicContact CD1-CG1 4.2Å; I180-V207 HydrophobicContact CG2-CG1 3.79Å; I180-V212 HydrophobicContact CD1-CG2 3.86Å; I180-V212 HydrophobicContact CG1-CG2 3.8Å
181L97.1Very high95.8Very high0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-64.3-42.9175.5-77.1168.7000112F119 F134 L170 A173 K177 F184 I185 L205 V207F119-L181 HydrophobicContact CD1-CD1 4.24Å; F119-L181 HydrophobicContact CD2-CD2 4.32Å; F119-L181 HydrophobicContact CE1-CD1 4.05Å; F119-L181 HydrophobicContact CG-CD2 4.32Å; F119-L181 HydrophobicContact CZ-CD1 4.22Å; F134-L181 HydrophobicContact CE2-CD1 4.24Å; F134-L181 HydrophobicContact CE2-CD2 4.22Å; F134-L181 HydrophobicContact CZ-CD1 4.02Å; L170-L181 HydrophobicContact CD1-CB 3.75Å; L170-L181 HydrophobicContact CD2-CB 4.07Å; L170-L181 HydrophobicContact CD2-CD1 4.21Å; A173-L181 HydrophobicContact CB-CD1 4.08Å; K177-L181 HydrophobicContact CB-CD1 4.12Å; K177-L181 WeakPolarHBondContact O-CB 3.49Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 3.05Å; L181-F184 PolarHBondContact O-N 2.72Å; L181-I185 WeakPolarHBondContact O-CB 3.47Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.29Å; L181-I185 PolarHBondContact O-N 2.93Å; L181-L205 HydrophobicContact CD2-CD2 4Å; L181-V207 HydrophobicContact CD2-CG2 3.72Å; L181-V207 HydrophobicContact CG-CG2 4.38Å
182A97.3Very high96Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-62.9-47.6179.900000111.8E162 V165 K166 L170 K178 A179 F184 I185 V186E162-A182 HydrophobicContact CB-CB 4.12Å; E162-A182 HydrophobicContact CG-CB 4.24Å; V165-A182 HydrophobicContact CB-CB 4.45Å; V165-A182 HydrophobicContact CG1-CB 4.15Å; K166-A182 HydrophobicContact CD-CB 4.27Å; K166-A182 HydrophobicContact CG-CB 3.76Å; L170-A182 HydrophobicContact CD1-CB 3.97Å; K178-A182 VanDerWaalsContact O-CB 3.24Å; K178-A182 WeakPolarHBondContact O-CB 3.22Å; K178-A182 PolarHBondContact O-N 3.37Å; A179-A182 PolarHBondContact O-N 3.42Å; A182-F184 VanDerWaalsContact C-N 3.32Å; A182-F184 PolarHBondContact O-N 2.96Å; A182-I185 PolarHBondContact O-N 2.66Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 2.94Å
183S97.5Very high96.2Very high7 Ų731 Ų315%0.04917%0.173CC..Hα-helixtrans-61.3-39.9176.3173.70000112.4T21 S22 A23 A179 G187T21-S183 VanDerWaalsContact OG1-C 3.23Å; T21-S183 PolarHBondContact OG1-O 3.02Å; T21-S183 PolarHBondContact OG1-OG 3.1Å; S22-S183 PolarHBondContact N-OG 2.91Å; S22-S183 VanDerWaalsContact N-OG 3.11Å; S22-S183 WeakPolarHBondContact OG-CB 3.47Å; S22-S183 PolarHBondContact OG-OG 2.89Å; A23-S183 PolarHBondContact N-OG 3.28Å; A179-S183 PolarHBondContact O-N 3.46Å; A179-S183 VanDerWaalsContact O-N 3.1Å; S183-G187 PolarHBondContact O-N 3.42Å
184F98.1Very high96.4Very high0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-66.9-47.1176.9-177.7-98.4000112.1I19 T21 A23 V25 I180 L181 A182 V186 G187 L188 I202 L205 V212 V214I19-F184 HydrophobicContact CD1-CD2 4.04Å; I19-F184 HydrophobicContact CD1-CE2 3.62Å; I19-F184 HydrophobicContact CD1-CZ 4.2Å; T21-F184 HydrophobicContact CG2-CD2 4.41Å; T21-F184 WeakPolarHBondContact OG1-CA 3.37Å; T21-F184 PolarHBondContact OG1-N 3.1Å; A23-F184 HydrophobicContact CB-CB 4.02Å; V25-F184 HydrophobicContact CG2-CD2 4.1Å; V25-F184 HydrophobicContact CG2-CE2 3.95Å; I180-F184 WeakPolarHBondContact O-CB 3.23Å; I180-F184 PolarHBondContact O-N 3.07Å; L181-F184 PolarHBondContact O-N 2.72Å; A182-F184 VanDerWaalsContact C-N 3.32Å; A182-F184 PolarHBondContact O-N 2.96Å; F184-V186 VanDerWaalsContact C-N 3.35Å; F184-V186 PolarHBondContact O-N 3.25Å; F184-G187 PolarHBondContact O-N 2.94Å; F184-L188 HydrophobicContact CE1-CD2 4Å; F184-L188 VanDerWaalsContact O-CB 3.27Å; F184-L188 WeakPolarHBondContact O-CB 3.28Å; F184-L188 PolarHBondContact O-N 3.02Å; F184-I202 HydrophobicContact CE1-CD1 4.16Å; F184-I202 HydrophobicContact CZ-CD1 4.11Å; F184-L205 HydrophobicContact CD1-CD1 4.18Å; F184-L205 HydrophobicContact CD1-CD2 3.93Å; F184-L205 HydrophobicContact CE1-CD1 3.52Å; F184-L205 HydrophobicContact CE1-CD2 3.91Å; F184-L205 HydrophobicContact CE1-CG 4.4Å; F184-L205 HydrophobicContact CZ-CD1 3.86Å; F184-V212 HydrophobicContact CB-CG2 4.44Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD2-CB 4.31Å; F184-V212 HydrophobicContact CD2-CG1 3.8Å; F184-V212 HydrophobicContact CD2-CG2 4.37Å; F184-V212 HydrophobicContact CE1-CG1 4.32Å; F184-V212 HydrophobicContact CE2-CG1 3.79Å; F184-V212 HydrophobicContact CG-CG1 4.07Å; F184-V212 HydrophobicContact CG-CG2 4.45Å; F184-V212 HydrophobicContact CZ-CG1 4.06Å; F184-V214 HydrophobicContact CE2-CG2 4.44Å; F184-V214 HydrophobicContact CZ-CG2 3.93Å
185I98.2Very high96.7Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-62.4-41.4-179.4-69.8165.8000111.1V121 V132 F134 I160 V165 L169 L170 L181 A182 L188 F189V121-I185 HydrophobicContact CG2-CD1 4.44Å; V121-I185 HydrophobicContact CG2-CG1 4.26Å; V132-I185 HydrophobicContact CG1-CG2 3.94Å; F134-I185 HydrophobicContact CD2-CD1 3.98Å; F134-I185 HydrophobicContact CE2-CD1 4.44Å; I160-I185 HydrophobicContact CD1-CG2 4.34Å; V165-I185 HydrophobicContact CG1-CB 4.17Å; V165-I185 HydrophobicContact CG1-CD1 3.9Å; V165-I185 HydrophobicContact CG1-CG2 4.1Å; V165-I185 HydrophobicContact CG2-CG2 4.03Å; L169-I185 HydrophobicContact CD1-CG2 4.44Å; L170-I185 HydrophobicContact CD2-CD1 3.96Å; L181-I185 WeakPolarHBondContact O-CB 3.47Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.29Å; L181-I185 PolarHBondContact O-N 2.93Å; A182-I185 PolarHBondContact O-N 2.66Å; I185-L188 PolarHBondContact O-N 3.31Å; I185-F189 WeakPolarHBondContact O-CB 3.36Å; I185-F189 PolarHBondContact O-N 3.44Å
186V98.1Very high97Very high22 Ų2228.2 Ų28.213%0.13315%0.154CC..Hα-helixtrans-63.6-47175.1169.70000111.2I160 E162 V165 A182 F184 L188 F189 N190I160-V186 HydrophobicContact CG1-CG2 4.36Å; I160-V186 HydrophobicContact CG2-CB 4.42Å; I160-V186 HydrophobicContact CG2-CG1 4.17Å; I160-V186 HydrophobicContact CG2-CG2 4.25Å; E162-V186 HydrophobicContact CG-CG2 3.95Å; V165-V186 HydrophobicContact CG2-CG2 4.12Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 2.94Å; F184-V186 VanDerWaalsContact C-N 3.35Å; F184-V186 PolarHBondContact O-N 3.25Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3Å; V186-F189 PolarHBondContact O-N 3.26Å; V186-N190 VanDerWaalsContact O-CG 3.32Å; V186-N190 PolarHBondContact O-N 3.4Å; V186-N190 PolarHBondContact O-ND2 3.33Å
187G97.9Very high97.2Very high2 Ų222.5 Ų22.52%0.02112%0.123CC..Hα-helixtrans-62.1-37.4176.700000113C20 S183 F184 L191C20-G187 VanDerWaalsContact O-CA 3.28Å; C20-G187 WeakPolarHBondContact O-CA 3.49Å; S183-G187 PolarHBondContact O-N 3.42Å; F184-G187 PolarHBondContact O-N 2.94Å; G187-L191 PolarHBondContact O-N 3.08Å; G187-L191 VanDerWaalsContact O-N 3.08Å
188L98.3Very high97.4Very high0 Ų021.8 Ų21.80%012%0.12CC..Hα-helixtrans-67.7-40.2177.1-172.866000112L15 I19 V121 I123 F184 I185 V186 L191 Y192 L200 I202L15-L188 HydrophobicContact CD1-CD1 3.72Å; L15-L188 HydrophobicContact CG-CD1 4.49Å; I19-L188 HydrophobicContact CD1-CB 4.34Å; I19-L188 HydrophobicContact CD1-CD1 4.27Å; V121-L188 HydrophobicContact CG1-CD2 3.85Å; I123-L188 HydrophobicContact CD1-CD2 4.28Å; I123-L188 HydrophobicContact CD1-CG 4.08Å; F184-L188 HydrophobicContact CE1-CD2 4Å; F184-L188 VanDerWaalsContact O-CB 3.27Å; F184-L188 WeakPolarHBondContact O-CB 3.28Å; F184-L188 PolarHBondContact O-N 3.02Å; I185-L188 PolarHBondContact O-N 3.31Å; V186-L188 VanDerWaalsContact C-N 3.3Å; V186-L188 PolarHBondContact O-N 3Å; L188-L191 PolarHBondContact O-N 3.23Å; L188-Y192 WeakPolarHBondContact O-CB 3.49Å; L188-Y192 PolarHBondContact O-N 3.05Å; L188-L200 HydrophobicContact CD1-CD1 4Å; L188-L200 HydrophobicContact CD1-CD2 3.88Å; L188-L200 HydrophobicContact CD2-CD2 3.87Å; L188-L200 HydrophobicContact CG-CD2 4.07Å; L188-I202 HydrophobicContact CD1-CD1 4.12Å; L188-I202 HydrophobicContact CD2-CD1 3.8Å
189F98.2Very high97.5Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-64.8-43.5175.3-175.3-89.8000112I123 D130 V132 I154 I160 I185 V186 L191 Y192 E193I123-F189 HydrophobicContact CD1-CB 4.19Å; I123-F189 HydrophobicContact CD1-CD2 4.24Å; I123-F189 HydrophobicContact CG2-CD2 4.15Å; I123-F189 HydrophobicContact CG2-CE2 4.36Å; D130-F189 HydrophobicContact CB-CE2 3.82Å; D130-F189 HydrophobicContact CB-CZ 4.23Å; V132-F189 HydrophobicContact CG2-CD2 3.72Å; V132-F189 HydrophobicContact CG2-CE2 4.06Å; I154-F189 HydrophobicContact CB-CE1 4.46Å; I154-F189 HydrophobicContact CB-CE2 3.91Å; I154-F189 HydrophobicContact CB-CZ 3.63Å; I154-F189 HydrophobicContact CG1-CD2 4.37Å; I154-F189 HydrophobicContact CG1-CE2 3.74Å; I154-F189 HydrophobicContact CG1-CZ 3.84Å; I154-F189 HydrophobicContact CG2-CE1 3.98Å; I154-F189 HydrophobicContact CG2-CE2 4.32Å; I154-F189 HydrophobicContact CG2-CZ 3.55Å; I160-F189 HydrophobicContact CB-CD1 4.05Å; I160-F189 HydrophobicContact CB-CE1 4.44Å; I160-F189 HydrophobicContact CB-CG 4.33Å; I160-F189 HydrophobicContact CD1-CB 4.28Å; I160-F189 HydrophobicContact CD1-CD2 4.48Å; I160-F189 HydrophobicContact CD1-CG 4.28Å; I160-F189 HydrophobicContact CG2-CB 3.86Å; I160-F189 HydrophobicContact CG2-CD1 3.42Å; I160-F189 VanDerWaalsContact CG2-CD1 3.42Å; I160-F189 HydrophobicContact CG2-CE1 4.2Å; I160-F189 HydrophobicContact CG2-CG 3.77Å; I185-F189 WeakPolarHBondContact O-CB 3.36Å; I185-F189 PolarHBondContact O-N 3.44Å; V186-F189 PolarHBondContact O-N 3.26Å; F189-L191 VanDerWaalsContact C-N 3.3Å; F189-L191 PolarHBondContact O-N 3.17Å; F189-Y192 VanDerWaalsContact O-CB 3.31Å; F189-Y192 WeakPolarHBondContact O-CB 3.24Å; F189-Y192 PolarHBondContact O-N 3.45Å; F189-Y192 VanDerWaalsContact O-N 3.14Å; F189-E193 HydrophobicContact CD1-CG 4.36Å; F189-E193 VanDerWaalsContact CE1-CD 3.5Å; F189-E193 HydrophobicContact CE1-CG 3.84Å; F189-E193 WeakPolarHBondContact CE1-OE2 3.48Å; F189-E193 HydrophobicContact CZ-CG 4.14Å; F189-E193 PolarHBondContact O-N 2.79Å
190N97.6Very high97.6Very high66 Ų6619 Ų1935%0.35310%0.096SC..Hα-helixtrans-61.6-40.9175.9-64.8-27000111.5V186 E193 D194V186-N190 VanDerWaalsContact O-CG 3.32Å; V186-N190 PolarHBondContact O-N 3.4Å; V186-N190 PolarHBondContact O-ND2 3.33Å; N190-E193 PolarHBondContact O-N 3.08Å; N190-D194 VanDerWaalsContact O-CB 3.24Å; N190-D194 WeakPolarHBondContact O-CB 3.43Å; N190-D194 PolarHBondContact O-N 3.11Å
191L97.8Very high97.6Very high3 Ų318.8 Ų18.82%0.0169%0.094CC..Hα-helixtrans-62.7-42.8173.4176136.2000112.1I19 G187 L188 F189 E193 D194 L195 F197 L200I19-L191 HydrophobicContact CB-CD1 3.9Å; I19-L191 VanDerWaalsContact N-CD1 3.33Å; G187-L191 PolarHBondContact O-N 3.08Å; G187-L191 VanDerWaalsContact O-N 3.08Å; L188-L191 PolarHBondContact O-N 3.23Å; F189-L191 VanDerWaalsContact C-N 3.3Å; F189-L191 PolarHBondContact O-N 3.17Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.19Å; L191-D194 PolarHBondContact O-N 3.48Å; L191-L195 HydrophobicContact CG-CD1 4.31Å; L191-L195 PolarHBondContact O-N 3.22Å; L191-L195 VanDerWaalsContact O-N 3.1Å; L191-F197 HydrophobicContact CD2-CD2 4.32Å; L191-F197 HydrophobicContact CD2-CE2 3.75Å; L191-F197 HydrophobicContact CD2-CZ 4.35Å; L191-L200 HydrophobicContact CD2-CD1 4.09Å
192Y98.3Very high97.7Very high2 Ų218.8 Ų18.81%0.0089%0.094CC..Hα-helixtrans-55.6-48176.9171-82.6000110.9I123 A125 D130 L188 F189 F196 F197 T198 L200I123-Y192 HydrophobicContact CB-CD2 3.82Å; I123-Y192 HydrophobicContact CB-CE2 3.97Å; I123-Y192 HydrophobicContact CB-CG 4.28Å; I123-Y192 HydrophobicContact CD1-CG 4.41Å; I123-Y192 HydrophobicContact CG2-CD1 3.86Å; I123-Y192 HydrophobicContact CG2-CD2 3.68Å; I123-Y192 HydrophobicContact CG2-CE1 3.87Å; I123-Y192 HydrophobicContact CG2-CE2 3.68Å; I123-Y192 HydrophobicContact CG2-CG 3.78Å; A125-Y192 WeakPolarHBondContact CB-OH 3.25Å; A125-Y192 PolarHBondContact N-OH 3.45Å; D130-Y192 HydrophobicContact CB-CE1 4.23Å; D130-Y192 PolarHBondContact OD1-OH 3.31Å; L188-Y192 WeakPolarHBondContact O-CB 3.49Å; L188-Y192 PolarHBondContact O-N 3.05Å; F189-Y192 VanDerWaalsContact O-CB 3.31Å; F189-Y192 WeakPolarHBondContact O-CB 3.24Å; F189-Y192 PolarHBondContact O-N 3.45Å; F189-Y192 VanDerWaalsContact O-N 3.14Å; Y192-F196 PolarHBondContact O-N 3.5Å; Y192-F197 HydrophobicContact CD2-CB 3.24Å; Y192-F197 HydrophobicContact CD2-CG 4.21Å; Y192-F197 WeakPolarHBondContact CE1-O 3.35Å; Y192-F197 HydrophobicContact CE2-CB 3.5Å; Y192-F197 HydrophobicContact CG-CB 3.8Å; Y192-F197 PolarHBondContact O-N 3.35Å; Y192-F197 PolarHBondContact OH-O 2.88Å; Y192-T198 WeakPolarHBondContact OH-CA 3.47Å; Y192-T198 PolarHBondContact OH-O 3.3Å; Y192-L200 HydrophobicContact CD2-CB 3.82Å; Y192-L200 HydrophobicContact CE2-CB 4.32Å
193E97.5Very high97.5Very high67 Ų6720.1 Ų20.131%0.31310%0.101SC..Hα-helixtrans-67.7-49.1176.6-70.7-163.9114.300112.6F189 N190 L191 L195 F196F189-E193 HydrophobicContact CD1-CG 4.36Å; F189-E193 VanDerWaalsContact CE1-CD 3.5Å; F189-E193 HydrophobicContact CE1-CG 3.84Å; F189-E193 WeakPolarHBondContact CE1-OE2 3.48Å; F189-E193 HydrophobicContact CZ-CG 4.14Å; F189-E193 PolarHBondContact O-N 2.79Å; N190-E193 PolarHBondContact O-N 3.08Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.19Å; E193-L195 PolarHBondContact O-N 3.2Å; E193-F196 PolarHBondContact O-N 3.39Å
194D97.2Very high97.4Very high97 Ų9720.8 Ų20.852%0.51911%0.105SC..Hα-helixtrans-63.3-25.4-173.6-88.90.7000114.4N190 L191 K232N190-D194 VanDerWaalsContact O-CB 3.24Å; N190-D194 WeakPolarHBondContact O-CB 3.43Å; N190-D194 PolarHBondContact O-N 3.11Å; L191-D194 PolarHBondContact O-N 3.48Å; D194-K232 IonicContact OD2-NZ 3.38Å
195L97.8Very high97.4Very high1 Ų120.8 Ų20.81%0.00511%0.105CC..THydrogen-bonded Turntrans-111.114.5178.7-82.183.1000112.1Y14 Y18 L191 E193 F197 K232 W233Y14-L195 HydrophobicContact CD1-CD2 4.48Å; Y14-L195 HydrophobicContact CD2-CD2 4.07Å; Y14-L195 HydrophobicContact CG-CD2 3.87Å; Y18-L195 HydrophobicContact CD2-CD1 4.22Å; Y18-L195 HydrophobicContact CD2-CD2 3.73Å; Y18-L195 HydrophobicContact CE2-CD2 4.24Å; Y18-L195 HydrophobicContact CG-CD1 4.19Å; Y18-L195 HydrophobicContact CG-CD2 4.49Å; L191-L195 HydrophobicContact CG-CD1 4.31Å; L191-L195 PolarHBondContact O-N 3.22Å; L191-L195 VanDerWaalsContact O-N 3.1Å; E193-L195 PolarHBondContact O-N 3.2Å; L195-F197 VanDerWaalsContact C-N 3.28Å; L195-F197 HydrophobicContact CB-CD2 3.77Å; L195-F197 HydrophobicContact CB-CE2 3.55Å; L195-F197 HydrophobicContact CD2-CE2 4.21Å; L195-F197 HydrophobicContact CG-CE2 4.49Å; L195-F197 PolarHBondContact O-N 3.49Å; L195-K232 HydrophobicContact CD1-CD 4.1Å; L195-K232 HydrophobicContact CG-CD 4.3Å; L195-W233 WeakPolarHBondContact O-CZ2 3.4Å; L195-W233 PolarHBondContact O-NE1 3.47Å
196F97.9Very high97.4Very high31 Ų3120.8 Ų20.814%0.13611%0.105CC..THydrogen-bonded Turntrans52.844.1173.8-73-110.5000112.9Y192 E193 D222 A225 I228 C229 W233 P592 A594 H595Y192-F196 PolarHBondContact O-N 3.5Å; E193-F196 PolarHBondContact O-N 3.39Å; F196-D222 PolarHBondContact O-N 3.25Å; F196-A225 HydrophobicContact CB-CB 3.7Å; F196-A225 HydrophobicContact CD1-CB 3.55Å; F196-A225 HydrophobicContact CD2-CB 4.35Å; F196-A225 HydrophobicContact CE1-CB 4.23Å; F196-A225 HydrophobicContact CG-CB 3.62Å; F196-I228 HydrophobicContact CE1-CD1 3.97Å; F196-I228 HydrophobicContact CE2-CD1 4.39Å; F196-I228 HydrophobicContact CE2-CG2 3.95Å; F196-I228 HydrophobicContact CZ-CD1 3.7Å; F196-I228 HydrophobicContact CZ-CG2 4.23Å; F196-C229 WeakPolarHBondContact CD2-SG 3.23Å; F196-W233 HydrophobicContact CB-CZ2 4.26Å; F196-P592 HydrophobicContact CD1-CB 4.15Å; F196-P592 HydrophobicContact CE1-CB 4.01Å; F196-A594 HydrophobicContact CD1-CB 4.02Å; F196-A594 HydrophobicContact CE1-CB 3.99Å; F196-H595 AromaticContact CZ-NE2 3.91Å
197F97.9Very high97.4Very high7 Ų719.8 Ų19.83%0.03110%0.099CC..EExtended strand (participates in β ladder)trans-66.9148168.1-75.9-94.9000110I6 Y14 L191 Y192 L195 L200 M217 A219 K220 I221I6-F197 HydrophobicContact CD1-CE1 3.93Å; I6-F197 HydrophobicContact CD1-CZ 4.38Å; Y14-F197 HydrophobicContact CD2-CZ 4.19Å; L191-F197 HydrophobicContact CD2-CD2 4.32Å; L191-F197 HydrophobicContact CD2-CE2 3.75Å; L191-F197 HydrophobicContact CD2-CZ 4.35Å; Y192-F197 HydrophobicContact CD2-CB 3.24Å; Y192-F197 HydrophobicContact CD2-CG 4.21Å; Y192-F197 WeakPolarHBondContact CE1-O 3.35Å; Y192-F197 HydrophobicContact CE2-CB 3.5Å; Y192-F197 HydrophobicContact CG-CB 3.8Å; Y192-F197 PolarHBondContact O-N 3.35Å; Y192-F197 PolarHBondContact OH-O 2.88Å; L195-F197 VanDerWaalsContact C-N 3.28Å; L195-F197 HydrophobicContact CB-CD2 3.77Å; L195-F197 HydrophobicContact CB-CE2 3.55Å; L195-F197 HydrophobicContact CD2-CE2 4.21Å; L195-F197 HydrophobicContact CG-CE2 4.49Å; L195-F197 PolarHBondContact O-N 3.49Å; F197-L200 HydrophobicContact CD1-CB 4.38Å; F197-L200 HydrophobicContact CD1-CD1 4.15Å; F197-L200 HydrophobicContact CE1-CD1 4.24Å; F197-L200 HydrophobicContact CG-CD1 4.28Å; F197-L200 HydrophobicContact CZ-CD1 4.45Å; F197-M217 HydrophobicContact CE1-CE 4.34Å; F197-M217 HydrophobicContact CZ-CE 4.46Å; F197-A219 HydrophobicContact CD1-CB 3.88Å; F197-A219 HydrophobicContact CE1-CB 3.59Å; F197-K220 WeakPolarHBondContact CA-O 3.47Å; F197-I221 HydrophobicContact CD1-CG2 3.53Å; F197-I221 HydrophobicContact CD2-CG2 4.24Å; F197-I221 HydrophobicContact CE1-CG2 3.58Å; F197-I221 HydrophobicContact CE2-CG2 4.3Å; F197-I221 HydrophobicContact CG-CG2 3.88Å; F197-I221 HydrophobicContact CZ-CG2 3.99Å
198T96.9Very high97.3Very high7 Ų720.4 Ų20.44%0.04310%0.103CC..EExtended strand (participates in β ladder)trans-113.1-20.6170.757.40000111.4A3 Y124 A125 Y192 K220 D222A3-T198 HydrophobicContact CB-CG2 4.1Å; A3-T198 WeakPolarHBondContact CB-OG1 3.39Å; Y124-T198 WeakPolarHBondContact CA-O 3.39Å; A125-T198 PolarHBondContact N-O 3.25Å; Y192-T198 WeakPolarHBondContact OH-CA 3.47Å; Y192-T198 PolarHBondContact OH-O 3.3Å; T198-K220 PolarHBondContact N-O 3.37Å; T198-K220 WeakPolarHBondContact OG1-CB 3.2Å; T198-K220 PolarHBondContact OG1-O 3.21Å; T198-D222 HydrophobicContact CG2-CB 3.8Å
199Y96.8Very high97Very high49 Ų4929.5 Ų29.519%0.19214%0.142CC..EExtended strand (participates in β ladder)trans-149.8135.1174.2179.2-97.7000109.2C122 I123 E201 A218 A219 K220C122-Y199 VanDerWaalsContact SG-CE2 3.5Å; I123-Y199 CarbonylContact O-C 3.52Å; I123-Y199 WeakPolarHBondContact O-CA 3.43Å; Y199-E201 HydrophobicContact CE1-CB 3.72Å; Y199-E201 WeakPolarHBondContact OH-CB 3.49Å; Y199-E201 PolarHBondContact OH-OE1 2.84Å; Y199-E201 PolarHBondContact OH-OE2 3.01Å; Y199-E201 VanDerWaalsContact OH-OE2 3.14Å; Y199-A218 HydrophobicContact CE1-CB 4.29Å; Y199-A219 CarbonylContact O-C 3.59Å; Y199-A219 WeakPolarHBondContact O-CA 3.29Å; Y199-K220 PolarHBondContact N-O 3.2Å; Y199-K220 PolarHBondContact O-N 3Å
200L97.6Very high96.7Very high0 Ų033.7 Ų33.70%016%0.164CC..EExtended strand (participates in β ladder)trans-147.2117.4174.6-170.5160.3000108.3C122 I123 L188 L191 Y192 F197 I202 M217 A218C122-L200 CarbonylContact C-O 3.55Å; C122-L200 VanDerWaalsContact CA-O 3.25Å; C122-L200 WeakPolarHBondContact CA-O 3.38Å; I123-L200 PolarHBondContact N-O 2.68Å; I123-L200 PolarHBondContact O-N 3.43Å; L188-L200 HydrophobicContact CD1-CD1 4Å; L188-L200 HydrophobicContact CD1-CD2 3.88Å; L188-L200 HydrophobicContact CD2-CD2 3.87Å; L188-L200 HydrophobicContact CG-CD2 4.07Å; L191-L200 HydrophobicContact CD2-CD1 4.09Å; Y192-L200 HydrophobicContact CD2-CB 3.82Å; Y192-L200 HydrophobicContact CE2-CB 4.32Å; F197-L200 HydrophobicContact CD1-CB 4.38Å; F197-L200 HydrophobicContact CD1-CD1 4.15Å; F197-L200 HydrophobicContact CE1-CD1 4.24Å; F197-L200 HydrophobicContact CG-CD1 4.28Å; F197-L200 HydrophobicContact CZ-CD1 4.45Å; L200-I202 HydrophobicContact CD2-CD1 4.12Å; L200-I202 HydrophobicContact CD2-CG1 3.98Å; L200-M217 HydrophobicContact CD1-CE 3.71Å; L200-M217 HydrophobicContact CD2-CE 4.29Å; L200-M217 HydrophobicContact CG-CE 3.75Å; L200-A218 CarbonylContact C-O 3.6Å
201E96.7Very high96.6Very high34 Ų3430.6 Ų30.616%0.15915%0.148CC..EExtended strand (participates in β ladder)trans-124.6135.9178.2176-179.9-112.100109.7Y120 C122 Y199 N203 M217 A218Y120-E201 HydrophobicContact CE2-CG 3.9Å; Y120-E201 WeakPolarHBondContact CE2-OE1 3.1Å; Y120-E201 PolarHBondContact OH-OE1 3.31Å; C122-E201 HydrophobicContact CB-CB 4.24Å; C122-E201 HydrophobicContact CB-CG 4.31Å; Y199-E201 HydrophobicContact CE1-CB 3.72Å; Y199-E201 WeakPolarHBondContact OH-CB 3.49Å; Y199-E201 PolarHBondContact OH-OE1 2.84Å; Y199-E201 PolarHBondContact OH-OE2 3.01Å; Y199-E201 VanDerWaalsContact OH-OE2 3.14Å; E201-N203 HydrophobicContact CG-CB 4.49Å; E201-M217 WeakPolarHBondContact O-CA 3.45Å; E201-A218 HydrophobicContact CB-CB 4.43Å; E201-A218 PolarHBondContact N-O 2.83Å; E201-A218 PolarHBondContact O-N 2.84Å
202I97.2Very high96.6Very high0 Ų030.4 Ų30.40%015%0.147CC..EExtended strand (participates in β ladder)trans-124.2111.3172.7-60.9173.4000107.8L15 V121 F184 L188 L200 L205 V214 D216 M217L15-I202 HydrophobicContact CD1-CD1 3.96Å; V121-I202 PolarHBondContact N-O 3.34Å; V121-I202 PolarHBondContact O-N 3.06Å; F184-I202 HydrophobicContact CE1-CD1 4.16Å; F184-I202 HydrophobicContact CZ-CD1 4.11Å; L188-I202 HydrophobicContact CD1-CD1 4.12Å; L188-I202 HydrophobicContact CD2-CD1 3.8Å; L200-I202 HydrophobicContact CD2-CD1 4.12Å; L200-I202 HydrophobicContact CD2-CG1 3.98Å; I202-L205 HydrophobicContact CG2-CB 3.7Å; I202-L205 HydrophobicContact CG2-CD1 3.94Å; I202-L205 HydrophobicContact CG2-CG 4.45Å; I202-V214 HydrophobicContact CD1-CG1 4.02Å; I202-V214 HydrophobicContact CD1-CG2 4.23Å; I202-V214 HydrophobicContact CG1-CG1 4.12Å; I202-V214 HydrophobicContact CG2-CG1 3.9Å; I202-D216 WeakPolarHBondContact CA-O 3.35Å; I202-D216 WeakPolarHBondContact CG2-O 3.48Å; I202-M217 HydrophobicContact CG1-CG 4.44Å
203N94.9Very high96.6Very high28 Ų2831.5 Ų31.515%0.1515%0.152CC..EExtended strand (participates in β ladder)trans-148.3105.8179-174.627.8000114.2Y120 G139 E201 D216Y120-N203 HydrophobicContact CD2-CB 3.73Å; Y120-N203 HydrophobicContact CE2-CB 4.06Å; G139-N203 PolarHBondContact N-OD1 3Å; G139-N203 PolarHBondContact O-ND2 3.44Å; G139-N203 PolarHBondContact O-OD1 3.24Å; E201-N203 HydrophobicContact CG-CB 4.49Å; N203-D216 WeakPolarHBondContact O-CB 3.28Å
204P95.4Very high96.6Very high21 Ų2128.6 Ų28.614%0.13614%0.138CC..EExtended strand (participates in β ladder)cis-85.9145.64.431.2-32.6000113.3E118 V206 L215E118-P204 HydrophobicContact CB-CB 3.87Å; E118-P204 HydrophobicContact CG-CB 3.9Å; E118-P204 HydrophobicContact CG-CG 4.43Å; P204-V206 HydrophobicContact CB-CG2 4.26Å; P204-V206 HydrophobicContact CG-CG2 4.41Å; P204-L215 HydrophobicContact CG-CB 4.12Å; P204-L215 HydrophobicContact CG-CD1 4.09Å; P204-L215 PolarHBondContact O-N 3.08Å
205L97.4Very high96.5Very high0 Ų025.7 Ų25.70%012%0.123CC..EExtended strand (participates in β ladder)trans-87.6117156.7178.170.8000107.6F119 V121 L181 F184 I202 V207 V212 V214F119-L205 HydrophobicContact CB-CB 4.21Å; F119-L205 HydrophobicContact CB-CD2 4.47Å; F119-L205 WeakPolarHBondContact CB-O 3.37Å; F119-L205 PolarHBondContact N-O 3.19Å; F119-L205 PolarHBondContact O-N 2.77Å; V121-L205 HydrophobicContact CG2-CD2 3.64Å; L181-L205 HydrophobicContact CD2-CD2 4Å; F184-L205 HydrophobicContact CD1-CD1 4.18Å; F184-L205 HydrophobicContact CD1-CD2 3.93Å; F184-L205 HydrophobicContact CE1-CD1 3.52Å; F184-L205 HydrophobicContact CE1-CD2 3.91Å; F184-L205 HydrophobicContact CE1-CG 4.4Å; F184-L205 HydrophobicContact CZ-CD1 3.86Å; I202-L205 HydrophobicContact CG2-CB 3.7Å; I202-L205 HydrophobicContact CG2-CD1 3.94Å; I202-L205 HydrophobicContact CG2-CG 4.45Å; L205-V207 HydrophobicContact CG-CG2 4.45Å; L205-V212 HydrophobicContact CD1-CG1 3.48Å; L205-V212 VanDerWaalsContact CD1-CG1 3.48Å; L205-V212 HydrophobicContact CG-CG1 4.29Å; L205-V214 HydrophobicContact CD1-CG2 4.34Å
206V97.9Very high96.4Very high0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-102.2130.7-179.2171.90000110.6V111 H113 E117 E118 P204 T208 V212 Y213 L215V111-V206 HydrophobicContact CG1-CG1 4.4Å; H113-V206 HydrophobicContact CB-CG1 3.69Å; E117-V206 HydrophobicContact CB-CG1 4.48Å; E117-V206 WeakPolarHBondContact O-CA 3.46Å; E118-V206 HydrophobicContact CG-CG2 4.06Å; P204-V206 HydrophobicContact CB-CG2 4.26Å; P204-V206 HydrophobicContact CG-CG2 4.41Å; V206-T208 HydrophobicContact CG1-CG2 3.86Å; V206-V212 CarbonylContact O-C 3.56Å; V206-Y213 HydrophobicContact CG1-CD2 4.49Å; V206-Y213 PolarHBondContact N-O 3.07Å; V206-Y213 PolarHBondContact O-N 3.42Å; V206-L215 HydrophobicContact CB-CD1 4.23Å; V206-L215 HydrophobicContact CB-CG 4.39Å; V206-L215 HydrophobicContact CG2-CD1 3.44Å; V206-L215 VanDerWaalsContact CG2-CD1 3.44Å; V206-L215 HydrophobicContact CG2-CG 4Å
207V97.3Very high96.3Very high1 Ų125.9 Ų25.91%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-124.7110.2175.9-174.60000109.7E117 F119 K177 I180 L181 L205 G211 V212E117-V207 PolarHBondContact O-N 3.36Å; F119-V207 HydrophobicContact CD2-CB 4.15Å; F119-V207 HydrophobicContact CD2-CG2 3.89Å; F119-V207 HydrophobicContact CE2-CB 3.84Å; F119-V207 HydrophobicContact CE2-CG2 4.06Å; K177-V207 HydrophobicContact CD-CB 4.43Å; K177-V207 HydrophobicContact CD-CG1 4.32Å; K177-V207 WeakPolarHBondContact CE-O 3.4Å; K177-V207 PolarHBondContact NZ-O 3.44Å; I180-V207 HydrophobicContact CD1-CG1 4.2Å; I180-V207 HydrophobicContact CG2-CG1 3.79Å; L181-V207 HydrophobicContact CD2-CG2 3.72Å; L181-V207 HydrophobicContact CG-CG2 4.38Å; L205-V207 HydrophobicContact CG-CG2 4.45Å; V207-G211 WeakPolarHBondContact CA-O 3.21Å; V207-V212 HydrophobicContact CG1-CG2 4.49Å; V207-V212 HydrophobicContact CG2-CG1 4.44Å; V207-V212 HydrophobicContact CG2-CG2 4.19Å
208T95.9Very high96.1Very high15 Ų1526.7 Ų26.79%0.09213%0.133CC..  trans-106.1-173.4176.377.20000110.2H113 V206 D210 G211 Y213H113-T208 HydrophobicContact CB-CG2 4.44Å; V206-T208 HydrophobicContact CG1-CG2 3.86Å; T208-D210 PolarHBondContact O-N 2.87Å; T208-D210 PolarHBondContact OG1-N 2.8Å; T208-D210 VanDerWaalsContact OG1-N 3.09Å; T208-G211 PolarHBondContact N-O 3.25Å; T208-G211 PolarHBondContact O-N 3.04Å; T208-Y213 HydrophobicContact CG2-CD2 4.39Å; T208-Y213 HydrophobicContact CG2-CE2 4.15Å; T208-Y213 WeakPolarHBondContact OG1-CE2 3.5Å
209K91.8Very high96.1Very high191 Ų19126.8 Ų26.883%0.8313%0.134SC*.SBendtrans-61.8-24.2170.265.6179.3-176.1174.60113.6
210D92.6Very high96.1Very high87 Ų8726.6 Ų26.647%0.46513%0.134SC..SBendtrans-88.1-21-174-55.7-51.2000111.6Q26 T208Q26-D210 PolarHBondContact NE2-O 3Å; T208-D210 PolarHBondContact O-N 2.87Å; T208-D210 PolarHBondContact OG1-N 2.8Å; T208-D210 VanDerWaalsContact OG1-N 3.09Å
211G95.5Very high96Very high1 Ų126.6 Ų26.61%0.0113%0.134CC..  trans144.9-154.5175.700000113.9P24 V207 T208P24-G211 WeakPolarHBondContact O-CA 3.29Å; V207-G211 WeakPolarHBondContact CA-O 3.21Å; T208-G211 PolarHBondContact N-O 3.25Å; T208-G211 PolarHBondContact O-N 3.04Å
212V97.8Very high96Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-100.9133.6-177.1-176.60000110.5A23 P24 Q26 I180 F184 L205 V206 V207A23-V212 HydrophobicContact CB-CG2 3.97Å; P24-V212 PolarHBondContact O-N 3.44Å; Q26-V212 PolarHBondContact N-O 3.41Å; I180-V212 HydrophobicContact CD1-CG2 3.86Å; I180-V212 HydrophobicContact CG1-CG2 3.8Å; F184-V212 HydrophobicContact CB-CG2 4.44Å; F184-V212 HydrophobicContact CD1-CG1 4.32Å; F184-V212 HydrophobicContact CD2-CB 4.31Å; F184-V212 HydrophobicContact CD2-CG1 3.8Å; F184-V212 HydrophobicContact CD2-CG2 4.37Å; F184-V212 HydrophobicContact CE1-CG1 4.32Å; F184-V212 HydrophobicContact CE2-CG1 3.79Å; F184-V212 HydrophobicContact CG-CG1 4.07Å; F184-V212 HydrophobicContact CG-CG2 4.45Å; F184-V212 HydrophobicContact CZ-CG1 4.06Å; L205-V212 HydrophobicContact CD1-CG1 3.48Å; L205-V212 VanDerWaalsContact CD1-CG1 3.48Å; L205-V212 HydrophobicContact CG-CG1 4.29Å; V206-V212 CarbonylContact O-C 3.56Å; V207-V212 HydrophobicContact CG1-CG2 4.49Å; V207-V212 HydrophobicContact CG2-CG1 4.44Å; V207-V212 HydrophobicContact CG2-CG2 4.19Å
213Y98.1Very high95.9Very high25 Ų2525.3 Ų25.310%0.09813%0.129CC..EExtended strand (participates in β ladder)trans-123.9123.6178.3-61-98.8000109.8Q26 V111 V206 T208 L215Q26-Y213 HydrophobicContact CB-CD1 3.64Å; Q26-Y213 HydrophobicContact CB-CD2 4.37Å; Q26-Y213 HydrophobicContact CB-CE1 3.26Å; Q26-Y213 HydrophobicContact CB-CE2 4.03Å; Q26-Y213 HydrophobicContact CB-CG 4.19Å; Q26-Y213 VanDerWaalsContact CB-CZ 3.47Å; Q26-Y213 HydrophobicContact CG-CE1 3.98Å; Q26-Y213 HydrophobicContact CG-CE2 3.94Å; V111-Y213 HydrophobicContact CB-CD1 4.4Å; V111-Y213 HydrophobicContact CG1-CD1 3.94Å; V111-Y213 HydrophobicContact CG1-CD2 4.17Å; V111-Y213 HydrophobicContact CG1-CE1 4.09Å; V111-Y213 HydrophobicContact CG1-CE2 4.36Å; V111-Y213 HydrophobicContact CG1-CG 3.97Å; V111-Y213 HydrophobicContact CG2-CD1 3.51Å; V111-Y213 HydrophobicContact CG2-CE1 3.96Å; V111-Y213 HydrophobicContact CG2-CG 4.14Å; V206-Y213 HydrophobicContact CG1-CD2 4.49Å; V206-Y213 PolarHBondContact N-O 3.07Å; V206-Y213 PolarHBondContact O-N 3.42Å; T208-Y213 HydrophobicContact CG2-CD2 4.39Å; T208-Y213 HydrophobicContact CG2-CE2 4.15Å; T208-Y213 WeakPolarHBondContact OG1-CE2 3.5Å; Y213-L215 PolarHBondContact O-N 3.49Å
214V97.7Very high95.9Very high5 Ų524.2 Ų24.23%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-9292.2175.7-1790000107.8K12 L15 F184 I202 L205 M217K12-V214 WeakPolarHBondContact CE-O 3.47Å; K12-V214 HydrophobicContact CG-CG1 4.46Å; K12-V214 PolarHBondContact NZ-O 3.48Å; K12-V214 VanDerWaalsContact NZ-O 3.14Å; L15-V214 HydrophobicContact CD1-CG1 4.44Å; L15-V214 HydrophobicContact CD1-CG2 4.12Å; L15-V214 HydrophobicContact CD2-CG2 4.17Å; F184-V214 HydrophobicContact CE2-CG2 4.44Å; F184-V214 HydrophobicContact CZ-CG2 3.93Å; I202-V214 HydrophobicContact CD1-CG1 4.02Å; I202-V214 HydrophobicContact CD1-CG2 4.23Å; I202-V214 HydrophobicContact CG1-CG1 4.12Å; I202-V214 HydrophobicContact CG2-CG1 3.9Å; L205-V214 HydrophobicContact CD1-CG2 4.34Å; V214-M217 HydrophobicContact CG1-CB 4.37Å
215L96.2Very high95.9Very high37 Ų3723.2 Ų23.219%0.19412%0.117CC..  trans-79.5-32.4-175.3-67.1-170.5000112.7K12 K58 V111 P204 V206 Y213K12-L215 PolarHBondContact NZ-O 2.89Å; K58-L215 PolarHBondContact NZ-O 3.29Å; V111-L215 HydrophobicContact CB-CD2 4.09Å; V111-L215 HydrophobicContact CG2-CD2 3.72Å; P204-L215 HydrophobicContact CG-CB 4.12Å; P204-L215 HydrophobicContact CG-CD1 4.09Å; P204-L215 PolarHBondContact O-N 3.08Å; V206-L215 HydrophobicContact CB-CD1 4.23Å; V206-L215 HydrophobicContact CB-CG 4.39Å; V206-L215 HydrophobicContact CG2-CD1 3.44Å; V206-L215 VanDerWaalsContact CG2-CD1 3.44Å; V206-L215 HydrophobicContact CG2-CG 4Å; Y213-L215 PolarHBondContact O-N 3.49Å
216D94.9Very high95.8Very high32 Ų3225.7 Ų25.717%0.17113%0.131CC..  trans-134.9147.2177.6-158.266000110.2E8 K58 R66 I202 N203E8-D216 WeakPolarHBondContact OE1-CA 3.28Å; K58-D216 IonicContact NZ-OD1 3.17Å; K58-D216 PolarHBondContact NZ-OD1 3.16Å; R66-D216 IonicContact CZ-OD1 2.72Å; R66-D216 IonicContact NH2-OD1 3.08Å; R66-D216 PolarHBondContact NH2-OD1 3.33Å; R66-D216 IonicContact NH2-OD2 2.78Å; I202-D216 WeakPolarHBondContact CA-O 3.35Å; I202-D216 WeakPolarHBondContact CG2-O 3.48Å; N203-D216 WeakPolarHBondContact O-CB 3.28Å
217M95.1Very high95.6Very high4 Ų428.2 Ų28.22%0.0214%0.14CC..  trans-144.8129.9172.4-169.3173.5175.200110.8E8 G11 K12 L15 F197 L200 E201 I202 V214 A219E8-M217 HydrophobicContact CG-CB 4.23Å; E8-M217 WeakPolarHBondContact CG-O 3.29Å; E8-M217 PolarHBondContact OE1-N 3.37Å; G11-M217 WeakPolarHBondContact O-CE 3.2Å; G11-M217 VanDerWaalsContact O-SD 3.4Å; K12-M217 HydrophobicContact CG-CB 4.17Å; K12-M217 HydrophobicContact CG-SD 4.23Å; L15-M217 HydrophobicContact CB-CE 4.46Å; L15-M217 HydrophobicContact CB-SD 4.34Å; L15-M217 HydrophobicContact CD1-CE 4.35Å; L15-M217 HydrophobicContact CD1-SD 4.12Å; F197-M217 HydrophobicContact CE1-CE 4.34Å; F197-M217 HydrophobicContact CZ-CE 4.46Å; L200-M217 HydrophobicContact CD1-CE 3.71Å; L200-M217 HydrophobicContact CD2-CE 4.29Å; L200-M217 HydrophobicContact CG-CE 3.75Å; E201-M217 WeakPolarHBondContact O-CA 3.45Å; I202-M217 HydrophobicContact CG1-CG 4.44Å; V214-M217 HydrophobicContact CG1-CB 4.37Å; M217-A219 HydrophobicContact CE-CB 4.23Å
218A95.1Very high95.5Very high24 Ų2431.1 Ų31.120%0.19816%0.155CC..EExtended strand (participates in β ladder)trans-123.9126.6170.700000108.8Y199 L200 E201Y199-A218 HydrophobicContact CE1-CB 4.29Å; L200-A218 CarbonylContact C-O 3.6Å; E201-A218 HydrophobicContact CB-CB 4.43Å; E201-A218 PolarHBondContact N-O 2.83Å; E201-A218 PolarHBondContact O-N 2.84Å
219A95.8Very high95.6Very high8 Ų830.6 Ų30.67%0.06615%0.152CC..EExtended strand (participates in β ladder)trans-145.5154.2-174.200000113.9A5 I6 F197 Y199 M217A5-A219 WeakPolarHBondContact CA-O 3.46Å; I6-A219 HydrophobicContact CD1-CB 4.1Å; I6-A219 HydrophobicContact CG1-CB 3.98Å; I6-A219 PolarHBondContact N-O 3.05Å; I6-A219 VanDerWaalsContact N-O 3.14Å; F197-A219 HydrophobicContact CD1-CB 3.88Å; F197-A219 HydrophobicContact CE1-CB 3.59Å; Y199-A219 CarbonylContact O-C 3.59Å; Y199-A219 WeakPolarHBondContact O-CA 3.29Å; M217-A219 HydrophobicContact CE-CB 4.23Å
220K96.3Very high95.7Very high45 Ų4525.7 Ų25.720%0.19613%0.131CC..EExtended strand (participates in β ladder)trans-128.5136.8167.9-58.1-176.8176.7-1760109.1K4 A5 F197 T198 Y199K4-K220 CarbonylContact O-C 3.52Å; K4-K220 WeakPolarHBondContact O-CA 3.35Å; A5-K220 HydrophobicContact CB-CG 4.26Å; F197-K220 WeakPolarHBondContact CA-O 3.47Å; T198-K220 PolarHBondContact N-O 3.37Å; T198-K220 WeakPolarHBondContact OG1-CB 3.2Å; T198-K220 PolarHBondContact OG1-O 3.21Å; Y199-K220 PolarHBondContact N-O 3.2Å; Y199-K220 PolarHBondContact O-N 3Å
221I97Very high95.8Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-112.6151172.262.1-179.8000110.1A3 K4 I6 F197 A223 W233 V236 F238A3-I221 CarbonylContact C-O 3.53Å; A3-I221 WeakPolarHBondContact CA-O 3.24Å; K4-I221 PolarHBondContact N-O 2.91Å; K4-I221 PolarHBondContact O-N 3.49Å; I6-I221 HydrophobicContact CD1-CG2 4.25Å; I6-I221 HydrophobicContact CG2-CD1 3.82Å; I6-I221 HydrophobicContact CG2-CG1 3.93Å; F197-I221 HydrophobicContact CD1-CG2 3.53Å; F197-I221 HydrophobicContact CD2-CG2 4.24Å; F197-I221 HydrophobicContact CE1-CG2 3.58Å; F197-I221 HydrophobicContact CE2-CG2 4.3Å; F197-I221 HydrophobicContact CG-CG2 3.88Å; F197-I221 HydrophobicContact CZ-CG2 3.99Å; I221-A223 PolarHBondContact O-N 3.08Å; I221-A223 VanDerWaalsContact O-N 3.13Å; I221-W233 HydrophobicContact CB-CH2 4.15Å; I221-W233 HydrophobicContact CB-CZ2 3.88Å; I221-W233 HydrophobicContact CD1-CD2 3.95Å; I221-W233 HydrophobicContact CD1-CE3 4.01Å; I221-W233 HydrophobicContact CD1-CH2 3.84Å; I221-W233 HydrophobicContact CD1-CZ2 3.78Å; I221-W233 HydrophobicContact CD1-CZ3 3.96Å; I221-W233 HydrophobicContact CG1-CH2 4.11Å; I221-W233 HydrophobicContact CG1-CZ2 4.18Å; I221-W233 HydrophobicContact CG2-CZ2 4.44Å; I221-V236 HydrophobicContact CD1-CG2 4.04Å; I221-F238 HydrophobicContact CD1-CE1 3.72Å; I221-F238 HydrophobicContact CD1-CZ 4.07Å; I221-F238 HydrophobicContact CG1-CE1 3.7Å; I221-F238 HydrophobicContact CG1-CZ 4.31Å
222D96.7Very high95.8Very high3 Ų330 Ų302%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-76.194175.8-179.7-1.2000110.6F196 T198 T224 A225 W233 P592 E593F196-D222 PolarHBondContact O-N 3.25Å; T198-D222 HydrophobicContact CG2-CB 3.8Å; D222-T224 PolarHBondContact O-N 3.11Å; D222-T224 WeakPolarHBondContact OD1-CB 3.5Å; D222-T224 PolarHBondContact OD1-N 2.99Å; D222-T224 VanDerWaalsContact OD1-N 3.12Å; D222-T224 PolarHBondContact OD1-OG1 3.39Å; D222-T224 PolarHBondContact OD2-OG1 2.94Å; D222-A225 WeakPolarHBondContact O-CB 3.13Å; D222-A225 PolarHBondContact O-N 3.4Å; D222-W233 VanDerWaalsContact O-CH2 3.26Å; D222-W233 WeakPolarHBondContact O-CH2 3.44Å; D222-P592 VanDerWaalsContact OD2-CA 3.26Å; D222-P592 WeakPolarHBondContact OD2-CA 3.24Å; D222-E593 PolarHBondContact OD2-N 3.44Å
223A94.6Very high95.7Very high4 Ų430.5 Ų30.53%0.03316%0.161CC..G310 helixtrans-58.2-17.4-174.700000114.3S2 K4 I221 A225 D226 F238S2-A223 VanDerWaalsContact O-CB 3.31Å; S2-A223 WeakPolarHBondContact O-CB 3.46Å; S2-A223 PolarHBondContact O-N 3.38Å; S2-A223 VanDerWaalsContact O-N 3.15Å; K4-A223 HydrophobicContact CB-CB 4.41Å; K4-A223 HydrophobicContact CD-CB 3.91Å; K4-A223 HydrophobicContact CG-CB 4.07Å; I221-A223 PolarHBondContact O-N 3.08Å; I221-A223 VanDerWaalsContact O-N 3.13Å; A223-A225 PolarHBondContact O-N 2.86Å; A223-D226 PolarHBondContact O-N 2.87Å; A223-F238 HydrophobicContact CB-CE1 4.34Å; A223-F238 HydrophobicContact CB-CE2 4.17Å; A223-F238 HydrophobicContact CB-CZ 3.77Å
224T94.6Very high95.5Very high6 Ų630.8 Ų30.84%0.03717%0.172CC..G310 helixtrans-69.7-20.6174.269.50000112.6M1 D222 D226 Y227 P592M1-T224 HydrophobicContact CB-CG2 3.64Å; M1-T224 WeakPolarHBondContact O-CG2 3.49Å; D222-T224 PolarHBondContact O-N 3.11Å; D222-T224 WeakPolarHBondContact OD1-CB 3.5Å; D222-T224 PolarHBondContact OD1-N 2.99Å; D222-T224 VanDerWaalsContact OD1-N 3.12Å; D222-T224 PolarHBondContact OD1-OG1 3.39Å; D222-T224 PolarHBondContact OD2-OG1 2.94Å; T224-D226 PolarHBondContact O-N 3.16Å; T224-Y227 VanDerWaalsContact O-CD1 3.24Å; T224-Y227 WeakPolarHBondContact O-CD1 3.32Å; T224-Y227 WeakPolarHBondContact O-CE1 3.45Å; T224-P592 WeakPolarHBondContact OG1-CA 3.26Å
225A96.4Very high95.2Very high0 Ų037.4 Ų37.40%021%0.207CC..G310 helixtrans-80.35.1177.400000113.8F196 D222 A223 Y227 I228 C229 W233 P592F196-A225 HydrophobicContact CB-CB 3.7Å; F196-A225 HydrophobicContact CD1-CB 3.55Å; F196-A225 HydrophobicContact CD2-CB 4.35Å; F196-A225 HydrophobicContact CE1-CB 4.23Å; F196-A225 HydrophobicContact CG-CB 3.62Å; D222-A225 WeakPolarHBondContact O-CB 3.13Å; D222-A225 PolarHBondContact O-N 3.4Å; A223-A225 PolarHBondContact O-N 2.86Å; A225-Y227 PolarHBondContact O-N 3.24Å; A225-Y227 VanDerWaalsContact O-N 3.17Å; A225-I228 WeakPolarHBondContact O-CA 3.41Å; A225-I228 WeakPolarHBondContact O-CB 3.44Å; A225-I228 PolarHBondContact O-N 3.12Å; A225-C229 PolarHBondContact O-N 3.47Å; A225-W233 HydrophobicContact CB-CH2 4.06Å; A225-P592 HydrophobicContact CB-CB 4.24Å; A225-P592 HydrophobicContact CB-CG 4.1Å
226D94.3Very high95Very high52 Ų5236.8 Ų36.828%0.27820%0.204SC..Hα-helixtrans-51.1-42.2177.9177.669.1000111.8A223 T224 I228 C229 K230 W233A223-D226 PolarHBondContact O-N 2.87Å; T224-D226 PolarHBondContact O-N 3.16Å; D226-I228 PolarHBondContact O-N 3.48Å; D226-C229 PolarHBondContact O-N 3.34Å; D226-K230 WeakPolarHBondContact O-CA 3.19Å; D226-K230 VanDerWaalsContact O-CB 3.26Å; D226-K230 WeakPolarHBondContact O-CB 3.21Å; D226-K230 PolarHBondContact O-N 2.86Å; D226-K230 WeakPolarHBondContact OD1-CD 3.47Å; D226-W233 HydrophobicContact CB-CE3 4.44Å; D226-W233 HydrophobicContact CB-CZ3 4.14Å
227Y93.9Very high94.8Very high52 Ų5242.7 Ų42.720%0.20423%0.231CC..Hα-helixtrans-64.1-17.8179.877.4-89000115.1T224 A225 L565 R566 P592T224-Y227 VanDerWaalsContact O-CD1 3.24Å; T224-Y227 WeakPolarHBondContact O-CD1 3.32Å; T224-Y227 WeakPolarHBondContact O-CE1 3.45Å; A225-Y227 PolarHBondContact O-N 3.24Å; A225-Y227 VanDerWaalsContact O-N 3.17Å; Y227-L565 HydrophobicContact CD1-CD1 3.76Å; Y227-L565 HydrophobicContact CE1-CD1 3.69Å; Y227-L565 HydrophobicContact CG-CD1 4.47Å; Y227-R566 VanDerWaalsContact CB-CZ 3.44Å; Y227-R566 HydrophobicContact CD2-CB 4.5Å; Y227-R566 HydrophobicContact CD2-CG 3.93Å; Y227-R566 HydrophobicContact CE2-CB 4.27Å; Y227-R566 HydrophobicContact CE2-CG 4.11Å; Y227-R566 HydrophobicContact CG-CG 4.21Å; Y227-P592 HydrophobicContact CE1-CG 3.76Å
228I96Very high94.7Very high62 Ų6245.5 Ų45.532%0.31824%0.243SC..Hα-helixtrans-93.7-46.9175-55.1174.8000109.2F196 A225 D226 P592 H595F196-I228 HydrophobicContact CE1-CD1 3.97Å; F196-I228 HydrophobicContact CE2-CD1 4.39Å; F196-I228 HydrophobicContact CE2-CG2 3.95Å; F196-I228 HydrophobicContact CZ-CD1 3.7Å; F196-I228 HydrophobicContact CZ-CG2 4.23Å; A225-I228 WeakPolarHBondContact O-CA 3.41Å; A225-I228 WeakPolarHBondContact O-CB 3.44Å; A225-I228 PolarHBondContact O-N 3.12Å; D226-I228 PolarHBondContact O-N 3.48Å; I228-P592 HydrophobicContact CD1-CG 3.99Å; I228-H595 WeakPolarHBondContact CD1-CE1 3.17Å
229C96.6Very high94.5Very high4 Ų446.2 Ų46.23%0.02725%0.246CC..Hα-helixtrans-94.9-0.9-168.2-64.60000114.6F196 A225 D226 S231 K232 W233F196-C229 WeakPolarHBondContact CD2-SG 3.23Å; A225-C229 PolarHBondContact O-N 3.47Å; D226-C229 PolarHBondContact O-N 3.34Å; C229-S231 PolarHBondContact O-N 2.88Å; C229-K232 CarbonylContact O-C 3.48Å; C229-K232 WeakPolarHBondContact O-CA 3.41Å; C229-K232 PolarHBondContact O-N 2.95Å; C229-W233 HydrophobicContact CB-CD2 3.48Å; C229-W233 VanDerWaalsContact CB-CD2 3.48Å; C229-W233 HydrophobicContact CB-CE3 4.04Å; C229-W233 HydrophobicContact CB-CG 3.78Å; C229-W233 HydrophobicContact CB-CH2 4.3Å; C229-W233 HydrophobicContact CB-CZ2 3.79Å; C229-W233 HydrophobicContact CB-CZ3 4.43Å; C229-W233 PolarHBondContact O-N 2.78Å
230K93.7Very high94.2Very high88 Ų8847.7 Ų47.738%0.38326%0.255SS..Hα-helixtrans-49.6-39.6-174.9-170.667.2-175.4163.10113.4D226 K232 G234 D235D226-K230 WeakPolarHBondContact O-CA 3.19Å; D226-K230 VanDerWaalsContact O-CB 3.26Å; D226-K230 WeakPolarHBondContact O-CB 3.21Å; D226-K230 PolarHBondContact O-N 2.86Å; D226-K230 WeakPolarHBondContact OD1-CD 3.47Å; K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 2.82Å; K230-G234 PolarHBondContact NZ-O 2.83Å; K230-G234 WeakPolarHBondContact O-CA 3.41Å; K230-G234 PolarHBondContact O-N 3.02Å; K230-D235 IonicContact NZ-OD1 3.55Å; K230-D235 PolarHBondContact NZ-OD1 3.08Å
231S95.1Very high93.8Very high112 Ų11247.4 Ų47.478%0.78326%0.258SS*.Hα-helixtrans-68.3-27.3178.959.70000114.2C229C229-S231 PolarHBondContact O-N 2.88Å
232K95.1Very high93.5Very high68 Ų6848.4 Ų48.430%0.29626%0.262SS..Hα-helixtrans-93.2-41176.5-67.3-174.4-179.2178.40112.1Y18 D194 L195 C229 K230Y18-K232 HydrophobicContact CE1-CB 4.48Å; Y18-K232 HydrophobicContact CE1-CG 4.24Å; Y18-K232 HydrophobicContact CE2-CB 4.23Å; Y18-K232 WeakPolarHBondContact OH-CA 3.44Å; Y18-K232 PolarHBondContact OH-O 2.94Å; Y18-K232 VanDerWaalsContact OH-O 3.06Å; D194-K232 IonicContact OD2-NZ 3.38Å; L195-K232 HydrophobicContact CD1-CD 4.1Å; L195-K232 HydrophobicContact CG-CD 4.3Å; C229-K232 CarbonylContact O-C 3.48Å; C229-K232 WeakPolarHBondContact O-CA 3.41Å; C229-K232 PolarHBondContact O-N 2.95Å; K230-K232 VanDerWaalsContact C-N 3.33Å; K230-K232 PolarHBondContact O-N 2.82Å
233W96.2Very high93Very high10 Ų1049.6 Ų49.64%0.03828%0.275CS..Hα-helixtrans-75.2-33.1-177.2-69.5-4.4000113Y14 L195 F196 I221 D222 A225 D226 C229 V236Y14-W233 HydrophobicContact CE2-CG 4.42Å; Y14-W233 WeakPolarHBondContact OH-CA 3.42Å; Y14-W233 WeakPolarHBondContact OH-CB 3.39Å; Y14-W233 PolarHBondContact OH-O 3.09Å; L195-W233 WeakPolarHBondContact O-CZ2 3.4Å; L195-W233 PolarHBondContact O-NE1 3.47Å; F196-W233 HydrophobicContact CB-CZ2 4.26Å; I221-W233 HydrophobicContact CB-CH2 4.15Å; I221-W233 HydrophobicContact CB-CZ2 3.88Å; I221-W233 HydrophobicContact CD1-CD2 3.95Å; I221-W233 HydrophobicContact CD1-CE3 4.01Å; I221-W233 HydrophobicContact CD1-CH2 3.84Å; I221-W233 HydrophobicContact CD1-CZ2 3.78Å; I221-W233 HydrophobicContact CD1-CZ3 3.96Å; I221-W233 HydrophobicContact CG1-CH2 4.11Å; I221-W233 HydrophobicContact CG1-CZ2 4.18Å; I221-W233 HydrophobicContact CG2-CZ2 4.44Å; D222-W233 VanDerWaalsContact O-CH2 3.26Å; D222-W233 WeakPolarHBondContact O-CH2 3.44Å; A225-W233 HydrophobicContact CB-CH2 4.06Å; D226-W233 HydrophobicContact CB-CE3 4.44Å; D226-W233 HydrophobicContact CB-CZ3 4.14Å; C229-W233 HydrophobicContact CB-CD2 3.48Å; C229-W233 VanDerWaalsContact CB-CD2 3.48Å; C229-W233 HydrophobicContact CB-CE3 4.04Å; C229-W233 HydrophobicContact CB-CG 3.78Å; C229-W233 HydrophobicContact CB-CH2 4.3Å; C229-W233 HydrophobicContact CB-CZ2 3.79Å; C229-W233 HydrophobicContact CB-CZ3 4.43Å; C229-W233 PolarHBondContact O-N 2.78Å; W233-V236 HydrophobicContact CB-CB 4.43Å; W233-V236 HydrophobicContact CB-CG1 4.48Å; W233-V236 HydrophobicContact CE3-CG1 4.13Å
234G94.3Very high92.7Very high31 Ų3151.3 Ų51.332%0.3228%0.281SS..  trans68.5-141.2-170.900000111.8K230 V236K230-G234 PolarHBondContact NZ-O 2.83Å; K230-G234 WeakPolarHBondContact O-CA 3.41Å; K230-G234 PolarHBondContact O-N 3.02Å; G234-V236 PolarHBondContact O-N 2.74Å
235D90.6Very high92.3Very high143 Ų14355 Ų5577%0.76530%0.298SS*.SBendtrans-91.979.4173.3-65-40.1000109.3K230K230-D235 IonicContact NZ-OD1 3.55Å; K230-D235 PolarHBondContact NZ-OD1 3.08Å
236V92.4Very high91.9Very high24 Ų2458.5 Ų58.515%0.14533%0.327CS..  trans-69.9131.8-179.962.80000111.2I6 T10 Y14 I221 W233 G234 F238I6-V236 HydrophobicContact CG2-CG2 4.13Å; T10-V236 HydrophobicContact CG2-CG2 4.23Å; Y14-V236 WeakPolarHBondContact OH-CB 3.42Å; Y14-V236 WeakPolarHBondContact OH-CG2 3.3Å; I221-V236 HydrophobicContact CD1-CG2 4.04Å; W233-V236 HydrophobicContact CB-CB 4.43Å; W233-V236 HydrophobicContact CB-CG1 4.48Å; W233-V236 HydrophobicContact CE3-CG1 4.13Å; G234-V236 PolarHBondContact O-N 2.74Å; V236-F238 HydrophobicContact CG1-CE1 4.39Å; V236-F238 HydrophobicContact CG1-CE2 3.78Å; V236-F238 HydrophobicContact CG1-CZ 3.62Å; V236-F238 HydrophobicContact CG2-CE1 4.2Å; V236-F238 HydrophobicContact CG2-CZ 4.25Å
237E90.7Very high91.7Very high156 Ų15658.8 Ų58.873%0.72932%0.324SS*.  trans-97137.1171.6-66.1-173.317500110.6P239E237-P239 WeakPolarHBondContact O-CD 3.26Å
238F92.4Very high91.7Very high64 Ų6460.9 Ų60.928%0.28134%0.344SS..  trans-108.695.7176.2-62.2-69.7000109.2K4 I6 I221 A223 V236K4-F238 HydrophobicContact CB-CB 4.42Å; K4-F238 HydrophobicContact CB-CD1 3.36Å; K4-F238 HydrophobicContact CB-CE1 3.67Å; K4-F238 HydrophobicContact CB-CG 3.95Å; K4-F238 HydrophobicContact CB-CZ 4.49Å; K4-F238 HydrophobicContact CD-CB 3.93Å; K4-F238 HydrophobicContact CD-CD1 3.83Å; K4-F238 HydrophobicContact CD-CD2 3.73Å; K4-F238 HydrophobicContact CD-CE1 4.23Å; K4-F238 HydrophobicContact CD-CE2 4.15Å; K4-F238 HydrophobicContact CD-CG 3.54Å; K4-F238 HydrophobicContact CD-CZ 4.38Å; K4-F238 HydrophobicContact CG-CD1 4.25Å; K4-F238 HydrophobicContact CG-CG 4.41Å; I6-F238 HydrophobicContact CG2-CD1 4.05Å; I6-F238 HydrophobicContact CG2-CE1 4.04Å; I221-F238 HydrophobicContact CD1-CE1 3.72Å; I221-F238 HydrophobicContact CD1-CZ 4.07Å; I221-F238 HydrophobicContact CG1-CE1 3.7Å; I221-F238 HydrophobicContact CG1-CZ 4.31Å; A223-F238 HydrophobicContact CB-CE1 4.34Å; A223-F238 HydrophobicContact CB-CE2 4.17Å; A223-F238 HydrophobicContact CB-CZ 3.77Å; V236-F238 HydrophobicContact CG1-CE1 4.39Å; V236-F238 HydrophobicContact CG1-CE2 3.78Å; V236-F238 HydrophobicContact CG1-CZ 3.62Å; V236-F238 HydrophobicContact CG2-CE1 4.2Å; V236-F238 HydrophobicContact CG2-CZ 4.25Å
239P91.3Very high91.8Very high39 Ų3959.2 Ų59.225%0.25334%0.335SS..PPolyproline II helixtrans-62.7142.1-177.323.2-31.3000111L62 E237L62-P239 HydrophobicContact CD1-CB 4.41Å; L62-P239 HydrophobicContact CD1-CG 4.03Å; L62-P239 WeakPolarHBondContact CD1-O 3.46Å; L62-P239 HydrophobicContact CD2-CG 4.04Å; L62-P239 HydrophobicContact CG-CB 4.46Å; L62-P239 HydrophobicContact CG-CG 4.01Å; E237-P239 WeakPolarHBondContact O-CD 3.26Å
240P90Very high91.6Very high39 Ų3960.3 Ų60.325%0.25334%0.34SS..PPolyproline II helixtrans-66158.2173.430.5-36000110.6R244 A246P240-R244 HydrophobicContact CB-CB 4.34Å; P240-A246 HydrophobicContact CG-CB 4.07Å
241P89Confident91.6Very high39 Ų3959.1 Ų59.125%0.25335%0.346SS..PPolyproline II helixtrans-55.4145.2170.1-23.233.5000111.6G243 R244P241-G243 PolarHBondContact O-N 2.79Å; P241-R244 PolarHBondContact O-N 3Å; P241-R244 VanDerWaalsContact O-N 3.1Å
242F89.6Confident91.5Very high20 Ų2057.6 Ų57.69%0.08832%0.324CS..THydrogen-bonded Turntrans-53.9135176.5-176.9-101.6000111.4Q61 I63 T93 V95 A98 L102Q61-F242 HydrophobicContact CB-CD2 4.25Å; I63-F242 HydrophobicContact CD1-CD2 3.65Å; I63-F242 HydrophobicContact CD1-CE2 3.71Å; I63-F242 HydrophobicContact CD1-CG 4.13Å; I63-F242 HydrophobicContact CD1-CZ 4.23Å; I63-F242 HydrophobicContact CG1-CB 4.05Å; I63-F242 HydrophobicContact CG1-CD1 4.41Å; I63-F242 HydrophobicContact CG1-CD2 3.7Å; I63-F242 HydrophobicContact CG1-CE2 4.28Å; I63-F242 HydrophobicContact CG1-CG 3.77Å; T93-F242 WeakPolarHBondContact O-CE1 3.5Å; V95-F242 HydrophobicContact CB-CD1 3.97Å; V95-F242 HydrophobicContact CB-CE1 3.95Å; V95-F242 HydrophobicContact CG2-CD1 3.98Å; V95-F242 HydrophobicContact CG2-CE1 3.63Å; V95-F242 HydrophobicContact CG2-CZ 4.31Å; A98-F242 HydrophobicContact CB-CD1 4.17Å; A98-F242 WeakPolarHBondContact CB-O 3.34Å; L102-F242 HydrophobicContact CD2-CE2 3.96Å; L102-F242 HydrophobicContact CD2-CZ 4.33Å
243G86.9Confident91.6Very high29 Ų2954.4 Ų54.430%0.29931%0.31SS..THydrogen-bonded Turntrans95.7-8.5-175.700000114.7K99 P241K99-G243 VanDerWaalsContact O-CA 3.26Å; K99-G243 WeakPolarHBondContact O-CA 3.25Å; P241-G243 PolarHBondContact O-N 2.79Å
244R87.5Confident91.3Very high40 Ų4056.1 Ų56.115%0.15133%0.326CS..  trans-110.6144.2167.4-69.8-172.860.6-124.9-16.4111P240 P241 E250 L268 S744P240-R244 HydrophobicContact CB-CB 4.34Å; P241-R244 PolarHBondContact O-N 3Å; P241-R244 VanDerWaalsContact O-N 3.1Å; R244-E250 IonicContact CZ-OE1 3.47Å; R244-E250 IonicContact NH2-OE1 2.73Å; R244-E250 PolarHBondContact NH2-OE1 2.83Å; R244-L268 PolarHBondContact NE-O 3.03Å; R244-L268 VanDerWaalsContact NE-O 3.12Å; R244-L268 PolarHBondContact NH2-O 3.4Å; R244-S744 WeakPolarHBondContact CD-OG 3.46Å; R244-S744 VanDerWaalsContact CG-OG 3.3Å; R244-S744 WeakPolarHBondContact CG-OG 3.39Å
245E86.9Confident91.2Very high83 Ų8357.8 Ų57.839%0.38833%0.328SS..  trans-90.7149.5171.3-57.7-158.8136.100110.1K103 Y247K103-E245 IonicContact NZ-OE1 3.41Å; K103-E245 PolarHBondContact NZ-OE1 2.97Å; E245-Y247 HydrophobicContact CB-CE2 3.96Å; E245-Y247 VanDerWaalsContact O-CD2 3.3Å; E245-Y247 WeakPolarHBondContact O-CD2 3.43Å; E245-Y247 WeakPolarHBondContact O-CE2 3.22Å
246A87.9Confident91.2Very high74 Ų7452.2 Ų52.261%0.61230%0.298SS*.  trans-84.1132.6170.100000108.9P240P240-A246 HydrophobicContact CG-CB 4.07Å
247Y90.8Very high91.2Very high58 Ų5851.8 Ų51.823%0.22730%0.295CS..  trans-112.7142.2178.9-64.7-87.7000111.6E245 E249 E250 A251 L268 P271E245-Y247 HydrophobicContact CB-CE2 3.96Å; E245-Y247 VanDerWaalsContact O-CD2 3.3Å; E245-Y247 WeakPolarHBondContact O-CD2 3.43Å; E245-Y247 WeakPolarHBondContact O-CE2 3.22Å; Y247-E249 PolarHBondContact O-N 3.46Å; Y247-E250 PolarHBondContact N-OE2 2.59Å; Y247-E250 WeakPolarHBondContact O-CB 3.4Å; Y247-E250 PolarHBondContact O-N 3.27Å; Y247-E250 VanDerWaalsContact O-N 3.09Å; Y247-A251 PolarHBondContact O-N 3.09Å; Y247-L268 HydrophobicContact CD1-CD1 4.05Å; Y247-L268 HydrophobicContact CD2-CB 3.92Å; Y247-L268 HydrophobicContact CD2-CD1 3.73Å; Y247-L268 HydrophobicContact CD2-CG 4.33Å; Y247-L268 HydrophobicContact CE2-CB 4.01Å; Y247-L268 HydrophobicContact CE2-CD1 4.24Å; Y247-L268 HydrophobicContact CG-CD1 3.62Å; Y247-P271 HydrophobicContact CE1-CG 4.2Å; Y247-P271 HydrophobicContact CE2-CG 4.34Å
248P93.9Very high91.1Very high96 Ų9646.9 Ų46.962%0.62328%0.281SS*.Hα-helixtrans-61.2-28.417923.8-31.8000112.4A251 Y252P248-A251 PolarHBondContact O-N 2.98Å; P248-Y252 PolarHBondContact O-N 3.45Å
249E96.3Very high90.9Very high26 Ų2651.2 Ų51.212%0.12130%0.3CS..Hα-helixtrans-68.8-35.9176.2-62.281.1-173.800112.6Y247 A251 Y252 I253 T322 L326 R329Y247-E249 PolarHBondContact O-N 3.46Å; E249-A251 VanDerWaalsContact C-N 3.35Å; E249-Y252 PolarHBondContact O-N 3.41Å; E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.22Å; E249-I253 VanDerWaalsContact O-N 3.09Å; E249-T322 HydrophobicContact CB-CG2 3.68Å; E249-T322 HydrophobicContact CG-CG2 4.01Å; E249-L326 HydrophobicContact CB-CD1 3.87Å; E249-L326 HydrophobicContact CB-CD2 4.27Å; E249-L326 HydrophobicContact CB-CG 4.34Å; E249-L326 HydrophobicContact CG-CD1 4.04Å; E249-L326 HydrophobicContact CG-CD2 3.8Å; E249-L326 HydrophobicContact CG-CG 3.95Å; E249-R329 IonicContact OE1-CZ 2.69Å; E249-R329 VanDerWaalsContact OE1-CZ 3.28Å; E249-R329 IonicContact OE1-NH1 3.66Å; E249-R329 PolarHBondContact OE1-NH1 2.92Å; E249-R329 VanDerWaalsContact OE1-NH1 3.07Å; E249-R329 IonicContact OE1-NH2 2.71Å; E249-R329 PolarHBondContact OE1-NH2 2.88Å
250E94.1Very high90.7Very high27 Ų2751.1 Ų51.113%0.12630%0.301CS..Hα-helixtrans-65.3-42173.4-65.4176.7134.700110.6R244 Y247 I253 A254 T267 L268R244-E250 IonicContact CZ-OE1 3.47Å; R244-E250 IonicContact NH2-OE1 2.73Å; R244-E250 PolarHBondContact NH2-OE1 2.83Å; Y247-E250 PolarHBondContact N-OE2 2.59Å; Y247-E250 WeakPolarHBondContact O-CB 3.4Å; Y247-E250 PolarHBondContact O-N 3.27Å; Y247-E250 VanDerWaalsContact O-N 3.09Å; E250-I253 PolarHBondContact O-N 3.34Å; E250-A254 WeakPolarHBondContact O-CB 3.42Å; E250-A254 PolarHBondContact O-N 2.87Å; E250-T267 VanDerWaalsContact OE1-CA 3.25Å; E250-T267 WeakPolarHBondContact OE1-CA 3.5Å; E250-L268 HydrophobicContact CG-CG 4.42Å; E250-L268 PolarHBondContact OE1-N 3.3Å
251A91.8Very high90.5Very high63 Ų6352.3 Ų52.352%0.52132%0.32SS..Hα-helixtrans-63.4-41.5176.300000112.1Y247 P248 E249 A254 D255Y247-A251 PolarHBondContact O-N 3.09Å; P248-A251 PolarHBondContact O-N 2.98Å; E249-A251 VanDerWaalsContact C-N 3.35Å; A251-A254 PolarHBondContact O-N 2.89Å; A251-D255 PolarHBondContact O-N 2.75Å
252Y94.7Very high90.6Very high80 Ų8050.8 Ų50.831%0.31431%0.311SS..Hα-helixtrans-60.8-45.7175.5176.3-115.3000112.2P248 E249 D255 L256 K321P248-Y252 PolarHBondContact O-N 3.45Å; E249-Y252 PolarHBondContact O-N 3.41Å; Y252-D255 PolarHBondContact O-N 3.13Å; Y252-L256 HydrophobicContact CD1-CD1 4.37Å; Y252-L256 HydrophobicContact CE1-CD1 3.86Å; Y252-L256 HydrophobicContact CE2-CD2 4.47Å; Y252-L256 HydrophobicContact CE2-CG 4.45Å; Y252-L256 WeakPolarHBondContact O-CG 3.44Å; Y252-L256 PolarHBondContact O-N 2.62Å; Y252-L256 VanDerWaalsContact O-N 3.14Å; Y252-K321 PolarHBondContact OH-NZ 3.41Å
253I96Very high90.7Very high1 Ų150 Ų501%0.00531%0.307CS..Hα-helixtrans-66.8-38.5176.9-63.3-50.4000111.6E249 E250 D255 L256 D257 L264 L266 Y319 T322E249-I253 WeakPolarHBondContact O-CG1 3.48Å; E249-I253 PolarHBondContact O-N 3.22Å; E249-I253 VanDerWaalsContact O-N 3.09Å; E250-I253 PolarHBondContact O-N 3.34Å; I253-D255 VanDerWaalsContact C-N 3.29Å; I253-D255 PolarHBondContact O-N 2.92Å; I253-L256 HydrophobicContact CD1-CD1 4.04Å; I253-L256 PolarHBondContact O-N 2.77Å; I253-D257 PolarHBondContact O-N 2.87Å; I253-L264 HydrophobicContact CG2-CB 4.05Å; I253-L266 HydrophobicContact CB-CB 4.04Å; I253-L266 HydrophobicContact CG1-CB 3.98Å; I253-L266 HydrophobicContact CG1-CD2 3.84Å; I253-L266 HydrophobicContact CG2-CB 3.92Å; I253-Y319 HydrophobicContact CD1-CD2 3.83Å; I253-Y319 HydrophobicContact CD1-CG 4.42Å; I253-Y319 HydrophobicContact CG1-CD2 4.3Å; I253-Y319 HydrophobicContact CG2-CD2 3.86Å; I253-Y319 HydrophobicContact CG2-CE2 3.75Å; I253-T322 HydrophobicContact CD1-CG2 4.23Å; I253-T322 HydrophobicContact CG1-CG2 4.23Å
254A91Very high91.1Very high46 Ų4648.6 Ų48.638%0.3829%0.293SS..Hα-helixtrans-62.8-34.8175.700000112.7E250 A251 D257 A258E250-A254 WeakPolarHBondContact O-CB 3.42Å; E250-A254 PolarHBondContact O-N 2.87Å; A251-A254 PolarHBondContact O-N 2.89Å; A254-D257 WeakPolarHBondContact O-CB 3.42Å; A254-D257 PolarHBondContact O-N 2.86Å; A254-A258 WeakPolarHBondContact O-CB 3.4Å; A254-A258 PolarHBondContact O-N 3.47Å
255D90.9Very high91.5Very high66 Ų6648.2 Ų48.235%0.35329%0.293SS..Hα-helixtrans-67.8-41.9174178.675.1000112.2A251 Y252 I253 D257 A258 K259A251-D255 PolarHBondContact O-N 2.75Å; Y252-D255 PolarHBondContact O-N 3.13Å; I253-D255 VanDerWaalsContact C-N 3.29Å; I253-D255 PolarHBondContact O-N 2.92Å; D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 PolarHBondContact O-N 3.34Å; D255-A258 PolarHBondContact O-N 2.84Å; D255-K259 WeakPolarHBondContact O-CG 3.44Å; D255-K259 PolarHBondContact O-N 3.25Å; D255-K259 WeakPolarHBondContact OD1-CE 3.22Å; D255-K259 IonicContact OD1-NZ 3.71Å; D255-K259 PolarHBondContact OD1-NZ 3.13Å; D255-K259 WeakPolarHBondContact OD2-CE 3.43Å; D255-K259 IonicContact OD2-NZ 2.78Å; D255-K259 PolarHBondContact OD2-NZ 2.7Å
256L91.3Very high91.9Very high27 Ų2744.9 Ų44.914%0.14128%0.277CS..Hα-helixtrans-61.8-39.4174.6-66.6178.3000112.1Y252 I253 L264 D318Y252-L256 HydrophobicContact CD1-CD1 4.37Å; Y252-L256 HydrophobicContact CE1-CD1 3.86Å; Y252-L256 HydrophobicContact CE2-CD2 4.47Å; Y252-L256 HydrophobicContact CE2-CG 4.45Å; Y252-L256 WeakPolarHBondContact O-CG 3.44Å; Y252-L256 PolarHBondContact O-N 2.62Å; Y252-L256 VanDerWaalsContact O-N 3.14Å; I253-L256 HydrophobicContact CD1-CD1 4.04Å; I253-L256 PolarHBondContact O-N 2.77Å; L256-L264 HydrophobicContact CB-CD1 3.69Å; L256-D318 HydrophobicContact CD1-CB 3.91Å
257D91.7Very high92.2Very high14 Ų1442.5 Ų42.58%0.07526%0.255CS..Hα-helixtrans-62.3-50.7175.6-172.557.4000111.8I253 A254 D255 K259 S260 S263 L264 K265I253-D257 PolarHBondContact O-N 2.87Å; A254-D257 WeakPolarHBondContact O-CB 3.42Å; A254-D257 PolarHBondContact O-N 2.86Å; D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 PolarHBondContact O-N 3.34Å; D257-K259 PolarHBondContact O-N 3.49Å; D257-S260 PolarHBondContact O-N 3.31Å; D257-S260 VanDerWaalsContact O-N 3.14Å; D257-S263 WeakPolarHBondContact OD1-CA 3.43Å; D257-L264 HydrophobicContact CB-CB 4.2Å; D257-L264 VanDerWaalsContact CB-O 3.3Å; D257-L264 WeakPolarHBondContact CB-O 2.92Å; D257-L264 VanDerWaalsContact CG-O 3.31Å; D257-L264 PolarHBondContact OD1-N 2.86Å; D257-K265 IonicContact OD1-NZ 2.78Å; D257-K265 PolarHBondContact OD1-NZ 2.67Å; D257-K265 WeakPolarHBondContact OD2-CE 3.31Å; D257-K265 IonicContact OD2-NZ 3.8Å; D257-K265 PolarHBondContact OD2-NZ 2.92Å
258A88.3Confident92.4Very high54 Ų5439.9 Ų39.945%0.44625%0.245SC..Hα-helixtrans-63.4-25.6-177.500000113.5A254 D255A254-A258 WeakPolarHBondContact O-CB 3.4Å; A254-A258 PolarHBondContact O-N 3.47Å; D255-A258 PolarHBondContact O-N 2.84Å
259K88.5Confident92.4Very high154 Ų15437.6 Ų37.667%0.6723%0.227SC*.THydrogen-bonded Turntrans-90.63.6-179.5-69171.8-178.3165.90113.8D255 D257D255-K259 WeakPolarHBondContact O-CG 3.44Å; D255-K259 PolarHBondContact O-N 3.25Å; D255-K259 WeakPolarHBondContact OD1-CE 3.22Å; D255-K259 IonicContact OD1-NZ 3.71Å; D255-K259 PolarHBondContact OD1-NZ 3.13Å; D255-K259 WeakPolarHBondContact OD2-CE 3.43Å; D255-K259 IonicContact OD2-NZ 2.78Å; D255-K259 PolarHBondContact OD2-NZ 2.7Å; D257-K259 PolarHBondContact O-N 3.49Å
260S87.8Confident92.2Very high38 Ų3839 Ų3927%0.26624%0.235SC..SBendtrans-134.2162.5-176.5-160.50000113.5D257 A262 Q315D257-S260 PolarHBondContact O-N 3.31Å; D257-S260 VanDerWaalsContact O-N 3.14Å; S260-A262 VanDerWaalsContact C-N 3.35Å; S260-A262 PolarHBondContact OG-N 2.89Å; S260-Q315 PolarHBondContact OG-NE2 3.16Å
261G85.4Confident92.3Very high64 Ų6439.9 Ų39.966%0.6624%0.244SC*.SBendtrans-86-8.5164.700000113.3
262A91.1Very high92.5Very high7 Ų744.8 Ų44.86%0.05825%0.249CC..SBendtrans-77.3155.5168.500000110.2S260 S308 P311S260-A262 VanDerWaalsContact C-N 3.35Å; S260-A262 PolarHBondContact OG-N 2.89Å; A262-S308 WeakPolarHBondContact CA-O 3.49Å; A262-S308 WeakPolarHBondContact CB-O 3.24Å; A262-P311 HydrophobicContact CB-CB 3.91Å
263S92.3Very high92.6Very high2 Ų241 Ų411%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-100.2125.6175.7-136.50000109.1D257 K265 E306 Y307 S308 E589D257-S263 WeakPolarHBondContact OD1-CA 3.43Å; S263-K265 PolarHBondContact OG-NZ 3.05Å; S263-E306 WeakPolarHBondContact CB-OE1 3.46Å; S263-Y307 CarbonylContact O-C 3.57Å; S263-Y307 VanDerWaalsContact O-CA 3.32Å; S263-Y307 WeakPolarHBondContact O-CA 3.21Å; S263-S308 WeakPolarHBondContact CB-OG 3.48Å; S263-S308 PolarHBondContact N-O 3.27Å; S263-S308 PolarHBondContact O-N 3.23Å; S263-E589 PolarHBondContact OG-OE1 2.79Å
264L95.7Very high92.7Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-130.1118.5175.4-59.8170.4000108.1I253 L256 D257 P311 Q315 Y319I253-L264 HydrophobicContact CG2-CB 4.05Å; L256-L264 HydrophobicContact CB-CD1 3.69Å; D257-L264 HydrophobicContact CB-CB 4.2Å; D257-L264 VanDerWaalsContact CB-O 3.3Å; D257-L264 WeakPolarHBondContact CB-O 2.92Å; D257-L264 VanDerWaalsContact CG-O 3.31Å; D257-L264 PolarHBondContact OD1-N 2.86Å; L264-P311 HydrophobicContact CD2-CB 4.34Å; L264-Q315 HydrophobicContact CD1-CB 4.39Å; L264-Y319 HydrophobicContact CB-CD2 4.24Å; L264-Y319 HydrophobicContact CD2-CD2 4.04Å; L264-Y319 HydrophobicContact CD2-CG 4.46Å
265K94.6Very high93Very high33 Ų3341.2 Ų41.214%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-132.2136.3-177.9-56.4-69.4176.5-71.80110.3D257 S263 G305 E306 Y319D257-K265 IonicContact OD1-NZ 2.78Å; D257-K265 PolarHBondContact OD1-NZ 2.67Å; D257-K265 WeakPolarHBondContact OD2-CE 3.31Å; D257-K265 IonicContact OD2-NZ 3.8Å; D257-K265 PolarHBondContact OD2-NZ 2.92Å; S263-K265 PolarHBondContact OG-NZ 3.05Å; K265-G305 CarbonylContact O-C 3.51Å; K265-G305 WeakPolarHBondContact O-CA 3.45Å; K265-E306 HydrophobicContact CB-CG 4.17Å; K265-E306 HydrophobicContact CG-CG 4.21Å; K265-E306 WeakPolarHBondContact CG-OE1 3.45Å; K265-E306 PolarHBondContact N-O 3.33Å; K265-E306 PolarHBondContact O-N 3.13Å; K265-Y319 WeakPolarHBondContact O-CE2 3.42Å; K265-Y319 PolarHBondContact O-OH 2.79Å
266L96.4Very high93.4Very high13 Ų1338.1 Ų38.17%0.06821%0.208CC..EExtended strand (participates in β ladder)trans-141.8136172.8-17961.7000109.1I253 N303 Y319 T322 I323 L326I253-L266 HydrophobicContact CB-CB 4.04Å; I253-L266 HydrophobicContact CG1-CB 3.98Å; I253-L266 HydrophobicContact CG1-CD2 3.84Å; I253-L266 HydrophobicContact CG2-CB 3.92Å; L266-N303 HydrophobicContact CD1-CB 4.1Å; L266-Y319 HydrophobicContact CB-CE2 4.46Å; L266-T322 HydrophobicContact CD2-CG2 4.09Å; L266-I323 HydrophobicContact CD1-CG1 4.38Å; L266-L326 HydrophobicContact CD2-CD1 4.01Å
267T94.4Very high93.7Very high23 Ų2336.9 Ų36.914%0.14120%0.202CC..EExtended strand (participates in β ladder)trans-144.4116.5-179.9-61.80000108.3E250 L269 N303 Y304E250-T267 VanDerWaalsContact OE1-CA 3.25Å; E250-T267 WeakPolarHBondContact OE1-CA 3.5Å; T267-L269 HydrophobicContact CG2-CD2 4.26Å; T267-N303 CarbonylContact O-C 3.49Å; T267-N303 VanDerWaalsContact O-CA 3.29Å; T267-N303 WeakPolarHBondContact O-CA 3.41Å; T267-Y304 WeakPolarHBondContact CA-O 3.37Å; T267-Y304 PolarHBondContact N-O 3.44Å; T267-Y304 PolarHBondContact O-N 2.8Å; T267-Y304 VanDerWaalsContact O-O 3.12Å
268L95.1Very high94.1Very high4 Ų436.2 Ų36.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-82.7124.7178.2-67.7-179.2000110.4R244 Y247 E250 P271 W276 N303 L326R244-L268 PolarHBondContact NE-O 3.03Å; R244-L268 VanDerWaalsContact NE-O 3.12Å; R244-L268 PolarHBondContact NH2-O 3.4Å; Y247-L268 HydrophobicContact CD1-CD1 4.05Å; Y247-L268 HydrophobicContact CD2-CB 3.92Å; Y247-L268 HydrophobicContact CD2-CD1 3.73Å; Y247-L268 HydrophobicContact CD2-CG 4.33Å; Y247-L268 HydrophobicContact CE2-CB 4.01Å; Y247-L268 HydrophobicContact CE2-CD1 4.24Å; Y247-L268 HydrophobicContact CG-CD1 3.62Å; E250-L268 HydrophobicContact CG-CG 4.42Å; E250-L268 PolarHBondContact OE1-N 3.3Å; L268-P271 HydrophobicContact CB-CG 4.39Å; L268-P271 HydrophobicContact CD1-CG 4.44Å; L268-W276 HydrophobicContact CD2-CH2 3.86Å; L268-W276 HydrophobicContact CD2-CZ3 3.83Å; L268-N303 HydrophobicContact CD2-CB 3.99Å; L268-L326 HydrophobicContact CD1-CD1 4.29Å; L268-L326 HydrophobicContact CD1-CD2 3.9Å; L268-L326 HydrophobicContact CD2-CD1 4.17Å
269L92.1Very high94.6Very high48 Ų4833.7 Ų33.725%0.25118%0.178SC..SBendtrans-101.7-55.3-179.6-57.2179.2000109.9T267 L301 A302 F742 V746T267-L269 HydrophobicContact CG2-CD2 4.26Å; L269-L301 HydrophobicContact CD1-CD2 3.9Å; L269-L301 HydrophobicContact CD1-CG 4.07Å; L269-A302 PolarHBondContact N-O 3.14Å; L269-F742 HydrophobicContact CD1-CD1 4.48Å; L269-F742 HydrophobicContact CD1-CE1 3.93Å; L269-F742 HydrophobicContact CD1-CZ 3.99Å; L269-V746 HydrophobicContact CD2-CG2 3.79Å
270N93.9Very high95Very high54 Ų5426.4 Ų26.429%0.28915%0.146SC..  trans-138.494.3174.5177.27.8000109.6R272 G273 D299 A302N270-R272 PolarHBondContact O-N 3.46Å; N270-R272 PolarHBondContact OD1-N 3.44Å; N270-R272 VanDerWaalsContact OD1-N 3.11Å; N270-G273 PolarHBondContact O-N 3.25Å; N270-G273 PolarHBondContact OD1-N 2.92Å; N270-D299 PolarHBondContact ND2-O 3.39Å; N270-A302 PolarHBondContact N-O 3.42Å; N270-A302 WeakPolarHBondContact O-CA 3.45Å; N270-A302 VanDerWaalsContact O-CB 3.28Å; N270-A302 WeakPolarHBondContact O-CB 3.25Å
271P94.7Very high95.2Very high47 Ų4725.1 Ų25.131%0.30514%0.138SC..THydrogen-bonded Turntrans-56.9-19.4-179-25.433.8000115.1Y247 L268Y247-P271 HydrophobicContact CE1-CG 4.2Å; Y247-P271 HydrophobicContact CE2-CG 4.34Å; L268-P271 HydrophobicContact CB-CG 4.39Å; L268-P271 HydrophobicContact CD1-CG 4.44Å
272R95.8Very high95.4Very high166 Ų16622.2 Ų22.263%0.62611%0.109SC*.THydrogen-bonded Turntrans-90.5-11.2176.4-65.8-171.8167.8158.35.6114N270 E330N270-R272 PolarHBondContact O-N 3.46Å; N270-R272 PolarHBondContact OD1-N 3.44Å; N270-R272 VanDerWaalsContact OD1-N 3.11Å; R272-E330 WeakPolarHBondContact CD-OE2 3.5Å; R272-E330 WeakPolarHBondContact CG-OE2 3.42Å; R272-E330 IonicContact CZ-OE2 3.44Å; R272-E330 IonicContact NE-OE1 3.65Å; R272-E330 IonicContact NE-OE2 3.27Å; R272-E330 PolarHBondContact NE-OE2 2.99Å; R272-E330 IonicContact NH2-OE1 3.76Å; R272-E330 IonicContact NH2-OE2 2.77Å
273G96.9Very high95.5Very high0 Ų021.9 Ų21.90%011%0.106CC..  trans-59.8147.3179.300000112N270 W276 E300N270-G273 PolarHBondContact O-N 3.25Å; N270-G273 PolarHBondContact OD1-N 2.92Å; G273-W276 PolarHBondContact O-NE1 3.4Å; G273-E300 CarbonylContact C-O 3.46Å; G273-E300 WeakPolarHBondContact CA-O 3.48Å; G273-E300 WeakPolarHBondContact CA-OE2 3.05Å
274R98.1Very high95.7Very high47 Ų4721.8 Ų21.818%0.17711%0.106CC..SBendtrans-85.4-17.5-179.275.9-177.2-70.7-84.82.2114E300 H332 D334 G335 K336 V337R274-E300 HydrophobicContact CG-CB 4.11Å; R274-E300 HydrophobicContact CG-CG 4.17Å; R274-E300 VanDerWaalsContact CG-OE2 3.3Å; R274-E300 WeakPolarHBondContact CG-OE2 3.47Å; R274-E300 PolarHBondContact N-O 3.5Å; R274-E300 PolarHBondContact N-OE2 2.87Å; R274-H332 HydrophobicContact CB-CB 4.37Å; R274-D334 PolarHBondContact NH2-O 2.72Å; R274-G335 PolarHBondContact NE-O 3.36Å; R274-G335 VanDerWaalsContact NE-O 3.12Å; R274-K336 HydrophobicContact CB-CG 4.21Å; R274-K336 WeakPolarHBondContact O-CA 3.4Å; R274-K336 WeakPolarHBondContact O-CB 3.35Å; R274-V337 PolarHBondContact O-N 2.96Å
275I98.6Very high95.8Very high4 Ų421.9 Ų21.92%0.02111%0.106CC..EExtended strand (participates in β ladder)trans-99.6107.1-175.4-52.6164.9000109.6I292 E300 L301 A302 I339 L419I275-I292 HydrophobicContact CD1-CG2 3.98Å; I275-I292 HydrophobicContact CG2-CD1 4.07Å; I275-I292 HydrophobicContact CG2-CG1 4.45Å; I275-I292 HydrophobicContact CG2-CG2 4.2Å; I275-E300 WeakPolarHBondContact CB-O 3.31Å; I275-E300 HydrophobicContact CD1-CB 3.69Å; I275-E300 HydrophobicContact CG1-CB 4.03Å; I275-E300 PolarHBondContact N-O 2.9Å; I275-L301 HydrophobicContact CG2-CD1 4.39Å; I275-A302 WeakPolarHBondContact O-CB 3.43Å; I275-A302 PolarHBondContact O-N 3.37Å; I275-I339 HydrophobicContact CG2-CD1 4.18Å; I275-L419 HydrophobicContact CD1-CD2 3.56Å; I275-L419 HydrophobicContact CG1-CD2 3.99Å
276W98.8Very high95.8Very high1 Ų120.3 Ų20.30%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-106.4142.2178.2-70.975.4000111L268 G273 A302 N303 I323 L326 M327 V337 L338 I339L268-W276 HydrophobicContact CD2-CH2 3.86Å; L268-W276 HydrophobicContact CD2-CZ3 3.83Å; G273-W276 PolarHBondContact O-NE1 3.4Å; W276-A302 HydrophobicContact CD2-CB 3.61Å; W276-A302 HydrophobicContact CE3-CB 4.15Å; W276-A302 HydrophobicContact CG-CB 3.99Å; W276-A302 HydrophobicContact CH2-CB 4.14Å; W276-A302 HydrophobicContact CZ2-CB 3.6Å; W276-A302 HydrophobicContact CZ3-CB 4.4Å; W276-N303 WeakPolarHBondContact CA-OD1 3.38Å; W276-N303 HydrophobicContact CE3-CB 4.23Å; W276-N303 HydrophobicContact CZ3-CB 4.18Å; W276-I323 HydrophobicContact CE3-CG2 4Å; W276-L326 HydrophobicContact CH2-CB 3.53Å; W276-L326 HydrophobicContact CZ2-CB 4.41Å; W276-L326 HydrophobicContact CZ3-CB 3.73Å; W276-L326 HydrophobicContact CZ3-CD1 4.3Å; W276-M327 HydrophobicContact CB-CE 4.13Å; W276-M327 HydrophobicContact CD2-CB 3.56Å; W276-M327 VanDerWaalsContact CE2-CB 3.44Å; W276-M327 HydrophobicContact CE3-CB 4.23Å; W276-M327 HydrophobicContact CG-CB 3.75Å; W276-M327 HydrophobicContact CG-CE 4.05Å; W276-M327 HydrophobicContact CG-SD 4.47Å; W276-M327 HydrophobicContact CZ2-CB 4Å; W276-V337 PolarHBondContact N-O 3.38Å; W276-L338 HydrophobicContact CB-CD1 3.87Å; W276-L338 WeakPolarHBondContact O-CA 3.43Å; W276-I339 PolarHBondContact O-N 2.96Å
277T98.6Very high95.9Very high2 Ų219.7 Ų19.71%0.01210%0.096CC..EExtended strand (participates in β ladder)trans-123.2133.1-179.166.70000111.3I292 L301 N303 I339T277-I292 HydrophobicContact CG2-CD1 3.55Å; T277-L301 HydrophobicContact CG2-CD1 3.94Å; T277-N303 PolarHBondContact N-OD1 3.17Å; T277-N303 PolarHBondContact O-ND2 3.26Å; T277-N303 PolarHBondContact OG1-O 2.84Å; T277-I339 HydrophobicContact CG2-CB 4.46Å
278M98.6Very high96.1Very high0 Ų018.6 Ų18.60%09%0.089CC..  trans-131.770.9171.5-179.2163.662.500107.7Y307 Y319 A320 I323 L338 I339 I340 I357M278-Y307 HydrophobicContact CG-CD1 4.25Å; M278-Y307 HydrophobicContact CG-CE1 3.84Å; M278-Y319 HydrophobicContact CG-CD1 4.21Å; M278-Y319 HydrophobicContact CG-CE1 3.98Å; M278-Y319 HydrophobicContact SD-CD1 4.11Å; M278-Y319 HydrophobicContact SD-CE1 4.4Å; M278-A320 HydrophobicContact CE-CB 4.13Å; M278-A320 HydrophobicContact SD-CB 3.68Å; M278-I323 HydrophobicContact CB-CD1 3.89Å; M278-I323 HydrophobicContact CG-CD1 4.05Å; M278-I323 HydrophobicContact SD-CD1 4.2Å; M278-L338 HydrophobicContact CB-CD1 4.33Å; M278-I339 PolarHBondContact N-O 2.95Å; M278-I340 HydrophobicContact CE-CD1 3.6Å; M278-I340 HydrophobicContact CE-CG1 3.81Å; M278-I340 HydrophobicContact CE-CG2 4.24Å; M278-I340 WeakPolarHBondContact O-CA 3.26Å; M278-I357 HydrophobicContact CE-CB 4.42Å; M278-I357 HydrophobicContact CE-CD1 3.95Å; M278-I357 HydrophobicContact CE-CG1 3.91Å; M278-I357 HydrophobicContact CE-CG2 3.68Å; M278-I357 HydrophobicContact SD-CD1 4.49Å; M278-I357 HydrophobicContact SD-CG1 4.37Å
279V98.3Very high96.2Very high1 Ų118.4 Ų18.41%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-99.1137.1-170.6177.60000110.3A284 Y288 E306 Y307 G341V279-A284 HydrophobicContact CG1-CB 3.99Å; V279-Y288 HydrophobicContact CB-CD2 4.44Å; V279-Y288 HydrophobicContact CG1-CD2 3.55Å; V279-Y288 HydrophobicContact CG1-CE2 3.91Å; V279-Y288 HydrophobicContact CG1-CG 4.31Å; V279-Y288 HydrophobicContact CG2-CD1 4.46Å; V279-Y288 HydrophobicContact CG2-CD2 3.98Å; V279-Y288 HydrophobicContact CG2-CG 3.92Å; V279-E306 VanDerWaalsContact O-CA 3.22Å; V279-E306 WeakPolarHBondContact O-CA 3.49Å; V279-Y307 PolarHBondContact O-N 3.01Å; V279-G341 WeakPolarHBondContact CA-O 3.47Å
280A97.5Very high96.4Very high1 Ų116.3 Ų16.31%0.0088%0.077CC..EExtended strand (participates in β ladder)trans-94.4124.3177.700000114.1Y307 G341 R379A280-Y307 CarbonylContact C-O 3.6Å; A280-Y307 WeakPolarHBondContact CA-O 3.3Å; A280-Y307 HydrophobicContact CB-CD1 4.11Å; A280-Y307 HydrophobicContact CB-CD2 3.96Å; A280-Y307 HydrophobicContact CB-CE1 3.73Å; A280-Y307 HydrophobicContact CB-CE2 3.58Å; A280-Y307 HydrophobicContact CB-CG 4.21Å; A280-Y307 VanDerWaalsContact CB-CZ 3.45Å; A280-Y307 VanDerWaalsContact CB-O 3.26Å; A280-Y307 WeakPolarHBondContact CB-O 3.47Å; A280-G341 PolarHBondContact N-O 2.83Å; A280-R379 VanDerWaalsContact CB-NH1 3.27Å; A280-R379 PolarHBondContact O-NH1 3.28Å
281G92.8Very high96.6Very high10 Ų1014.1 Ų14.110%0.1037%0.066CC..SBendtrans101.2125.5-179.800000113G283 A284 S285 Y307G281-G283 VanDerWaalsContact C-N 3.33Å; G281-G283 PolarHBondContact O-N 3.25Å; G281-A284 PolarHBondContact O-N 3Å; G281-S285 PolarHBondContact O-N 3.47Å; G281-S285 PolarHBondContact O-OG 3.42Å; G281-Y307 PolarHBondContact N-O 2.91Å
282G89.9Confident96.8Very high4 Ų411.9 Ų11.94%0.0415%0.052CC..Hα-helixtrans-55.2-38.3-179.600000115.6S285 V286 E306G282-S285 WeakPolarHBondContact CA-OG 3.3Å; G282-S285 PolarHBondContact O-OG 2.73Å; G282-V286 VanDerWaalsContact O-CG2 3.27Å; G282-V286 WeakPolarHBondContact O-CG2 3.28Å; G282-V286 PolarHBondContact O-N 2.98Å; G282-E306 PolarHBondContact N-OE2 3.26Å
283G92.4Very high96.8Very high0 Ų04.3 Ų4.30%02%0.024CC..Hα-helixtrans-70.9-36.8174.500000113G281 V287G281-G283 VanDerWaalsContact C-N 3.33Å; G281-G283 PolarHBondContact O-N 3.25Å; G283-V287 WeakPolarHBondContact O-CG2 3.34Å; G283-V287 PolarHBondContact O-N 3.36Å
284A96.8Very high96.7Very high0 Ų07.8 Ų7.80%04%0.042CC..Hα-helixtrans-70.3-46.1179.300000110.6V279 G281 V286 V287 Y288 M411 M656V279-A284 HydrophobicContact CG1-CB 3.99Å; G281-A284 PolarHBondContact O-N 3Å; A284-V286 VanDerWaalsContact C-N 3.26Å; A284-V286 PolarHBondContact O-N 3.26Å; A284-V287 PolarHBondContact O-N 2.91Å; A284-Y288 VanDerWaalsContact O-CD2 3.25Å; A284-Y288 WeakPolarHBondContact O-CD2 3.14Å; A284-Y288 PolarHBondContact O-N 2.77Å; A284-M411 HydrophobicContact CB-SD 4.18Å; A284-M656 HydrophobicContact CB-SD 4.08Å
285S96.9Very high96.6Very high1 Ų18.3 Ų8.31%0.0075%0.049CC..Hα-helixtrans-54.6-43.2178.455.70000111.9G281 G282 Y288 S289 Y304 G305G281-S285 PolarHBondContact O-N 3.47Å; G281-S285 PolarHBondContact O-OG 3.42Å; G282-S285 WeakPolarHBondContact CA-OG 3.3Å; G282-S285 PolarHBondContact O-OG 2.73Å; S285-Y288 PolarHBondContact O-N 2.74Å; S285-S289 PolarHBondContact O-N 3.06Å; S285-S289 PolarHBondContact O-OG 3.3Å; S285-Y304 PolarHBondContact OG-OH 3.11Å; S285-Y304 VanDerWaalsContact OG-OH 3.05Å; S285-G305 WeakPolarHBondContact CB-O 3.34Å
286V96.4Very high96.4Very high0 Ų011 Ų110%08%0.077CC..Hα-helixtrans-60.8-46.1174.9175.40000111.6G282 A284 Y288 S289 D290 Y304 I735 G736 F748G282-V286 VanDerWaalsContact O-CG2 3.27Å; G282-V286 WeakPolarHBondContact O-CG2 3.28Å; G282-V286 PolarHBondContact O-N 2.98Å; A284-V286 VanDerWaalsContact C-N 3.26Å; A284-V286 PolarHBondContact O-N 3.26Å; V286-Y288 PolarHBondContact O-N 3.34Å; V286-S289 PolarHBondContact O-N 3.05Å; V286-D290 PolarHBondContact O-N 3.16Å; V286-Y304 HydrophobicContact CG2-CE2 4.12Å; V286-I735 HydrophobicContact CB-CD1 4.25Å; V286-I735 HydrophobicContact CG1-CB 4.16Å; V286-I735 HydrophobicContact CG1-CD1 4.2Å; V286-I735 HydrophobicContact CG1-CG1 4.01Å; V286-G736 VanDerWaalsContact CG1-N 3.32Å; V286-F748 HydrophobicContact CG2-CB 3.85Å; V286-F748 HydrophobicContact CG2-CD1 3.73Å; V286-F748 HydrophobicContact CG2-CD2 4.35Å; V286-F748 HydrophobicContact CG2-CE1 4.3Å; V286-F748 HydrophobicContact CG2-CG 3.72Å
287V97.8Very high96.2Very high0 Ų011.3 Ų11.30%08%0.08CC..Hα-helixtrans-64.1-39.6178.2174.40000112.1G283 A284 D290 T291 M411 T412 M656 I735 F780G283-V287 WeakPolarHBondContact O-CG2 3.34Å; G283-V287 PolarHBondContact O-N 3.36Å; A284-V287 PolarHBondContact O-N 2.91Å; V287-D290 PolarHBondContact O-N 2.87Å; V287-T291 PolarHBondContact O-N 2.87Å; V287-T291 PolarHBondContact O-OG1 3.44Å; V287-M411 HydrophobicContact CB-CE 3.68Å; V287-M411 HydrophobicContact CG1-CE 3.31Å; V287-M411 HydrophobicContact CG2-CE 4.33Å; V287-T412 HydrophobicContact CG1-CG2 3.59Å; V287-M656 HydrophobicContact CG2-CE 4.18Å; V287-I735 HydrophobicContact CG2-CB 4.03Å; V287-I735 HydrophobicContact CG2-CD1 4.2Å; V287-I735 HydrophobicContact CG2-CG2 3.55Å; V287-F780 HydrophobicContact CG1-CB 3.86Å; V287-F780 HydrophobicContact CG1-CD1 3.52Å; V287-F780 HydrophobicContact CG1-CD2 4.36Å; V287-F780 HydrophobicContact CG1-CE1 4.18Å; V287-F780 HydrophobicContact CG1-CG 3.63Å; V287-F780 HydrophobicContact CG2-CD2 4.29Å; V287-F780 HydrophobicContact CG2-CG 4.33Å
288Y98.3Very high96Very high0 Ų013 Ų130%09%0.09CC..Hα-helixtrans-63.7-42.6173.9-83.9-88000111.5V279 A284 S285 V286 T291 I292 I339 G342 M411 I414 V415V279-Y288 HydrophobicContact CB-CD2 4.44Å; V279-Y288 HydrophobicContact CG1-CD2 3.55Å; V279-Y288 HydrophobicContact CG1-CE2 3.91Å; V279-Y288 HydrophobicContact CG1-CG 4.31Å; V279-Y288 HydrophobicContact CG2-CD1 4.46Å; V279-Y288 HydrophobicContact CG2-CD2 3.98Å; V279-Y288 HydrophobicContact CG2-CG 3.92Å; A284-Y288 VanDerWaalsContact O-CD2 3.25Å; A284-Y288 WeakPolarHBondContact O-CD2 3.14Å; A284-Y288 PolarHBondContact O-N 2.77Å; S285-Y288 PolarHBondContact O-N 2.74Å; V286-Y288 PolarHBondContact O-N 3.34Å; Y288-T291 PolarHBondContact O-N 2.73Å; Y288-I292 WeakPolarHBondContact O-CD1 3.48Å; Y288-I292 VanDerWaalsContact O-CG1 3.22Å; Y288-I292 WeakPolarHBondContact O-CG1 3.4Å; Y288-I292 PolarHBondContact O-N 3.27Å; Y288-I339 HydrophobicContact CD1-CG2 3.88Å; Y288-I339 HydrophobicContact CE1-CG2 3.98Å; Y288-G342 PolarHBondContact OH-N 2.98Å; Y288-G342 VanDerWaalsContact OH-N 3.13Å; Y288-M411 HydrophobicContact CE2-CE 4.38Å; Y288-M411 HydrophobicContact CE2-CG 3.63Å; Y288-M411 HydrophobicContact CE2-SD 4.14Å; Y288-M411 VanDerWaalsContact CZ-O 3.24Å; Y288-M411 PolarHBondContact OH-O 3.14Å; Y288-I414 HydrophobicContact CE1-CD1 3.87Å; Y288-I414 HydrophobicContact CE1-CG1 3.78Å; Y288-V415 HydrophobicContact CD1-CG2 3.52Å; Y288-V415 HydrophobicContact CE1-CG2 4.03Å
289S97.4Very high95.7Very high1 Ų119.1 Ų19.11%0.00712%0.124CC..Hα-helixtrans-62-43.4174.8-65.20000112.1S285 V286 T291 I292 C293S285-S289 PolarHBondContact O-N 3.06Å; S285-S289 PolarHBondContact O-OG 3.3Å; V286-S289 PolarHBondContact O-N 3.05Å; S289-T291 PolarHBondContact O-N 3.3Å; S289-I292 PolarHBondContact O-N 2.93Å; S289-C293 WeakPolarHBondContact O-CB 3.42Å; S289-C293 PolarHBondContact O-N 3.43Å; S289-C293 PolarHBondContact O-SG 3.37Å; S289-C293 VanDerWaalsContact O-SG 3.34Å
290D97.3Very high95.7Very high3 Ų322.1 Ų22.12%0.01614%0.137CC..Hα-helixtrans-54.8-51.1173-73.5-8.2000110.6V286 V287 I292 C293 D294 G736 T737 C738V286-D290 PolarHBondContact O-N 3.16Å; V287-D290 PolarHBondContact O-N 2.87Å; D290-I292 PolarHBondContact O-N 3.47Å; D290-C293 PolarHBondContact O-N 3.11Å; D290-D294 WeakPolarHBondContact O-CB 3.35Å; D290-D294 PolarHBondContact O-N 3.42Å; D290-G736 WeakPolarHBondContact OD1-CA 3.13Å; D290-G736 PolarHBondContact OD2-N 3.45Å; D290-T737 PolarHBondContact OD1-N 2.85Å; D290-T737 PolarHBondContact OD1-OG1 3.32Å; D290-T737 PolarHBondContact OD2-N 2.86Å; D290-T737 PolarHBondContact OD2-OG1 3.14Å; D290-C738 WeakPolarHBondContact OD1-CB 3.44Å; D290-C738 PolarHBondContact OD1-N 3.3Å; D290-C738 PolarHBondContact OD1-SG 3.44Å
291T97.7Very high95.7Very high9 Ų922.1 Ų22.16%0.05514%0.137CC..Hα-helixtrans-64-39.1-179.8-50.80000113.2V287 Y288 S289 C293 D294 L295 T412 V415V287-T291 PolarHBondContact O-N 2.87Å; V287-T291 PolarHBondContact O-OG1 3.44Å; Y288-T291 PolarHBondContact O-N 2.73Å; S289-T291 PolarHBondContact O-N 3.3Å; T291-C293 VanDerWaalsContact C-N 3.33Å; T291-D294 PolarHBondContact O-N 3.2Å; T291-L295 HydrophobicContact CG2-CD1 4.03Å; T291-L295 HydrophobicContact CG2-CG 4.49Å; T291-L295 WeakPolarHBondContact O-CB 3.43Å; T291-L295 VanDerWaalsContact O-CG 3.32Å; T291-L295 WeakPolarHBondContact O-CG 3.5Å; T291-L295 PolarHBondContact O-N 3.26Å; T291-L295 VanDerWaalsContact O-N 3.11Å; T291-T412 VanDerWaalsContact OG1-CG2 3.26Å; T291-T412 WeakPolarHBondContact OG1-CG2 3.48Å; T291-V415 HydrophobicContact CG2-CB 3.86Å; T291-V415 HydrophobicContact CG2-CG1 3.94Å; T291-V415 HydrophobicContact CG2-CG2 4.2Å
292I97.7Very high95.9Very high0 Ų021.6 Ų21.60%013%0.132CC..Hα-helixtrans-62-45.7176.9-68.1160.1000109.9I275 T277 Y288 S289 D290 L295 G296 G297 L301 I339 V415I275-I292 HydrophobicContact CD1-CG2 3.98Å; I275-I292 HydrophobicContact CG2-CD1 4.07Å; I275-I292 HydrophobicContact CG2-CG1 4.45Å; I275-I292 HydrophobicContact CG2-CG2 4.2Å; T277-I292 HydrophobicContact CG2-CD1 3.55Å; Y288-I292 WeakPolarHBondContact O-CD1 3.48Å; Y288-I292 VanDerWaalsContact O-CG1 3.22Å; Y288-I292 WeakPolarHBondContact O-CG1 3.4Å; Y288-I292 PolarHBondContact O-N 3.27Å; S289-I292 PolarHBondContact O-N 2.93Å; D290-I292 PolarHBondContact O-N 3.47Å; I292-L295 PolarHBondContact O-N 2.95Å; I292-G296 PolarHBondContact O-N 3.27Å; I292-G297 WeakPolarHBondContact O-CA 3.32Å; I292-G297 PolarHBondContact O-N 3.46Å; I292-L301 HydrophobicContact CD1-CD1 3.92Å; I292-L301 HydrophobicContact CG2-CB 4.35Å; I292-L301 HydrophobicContact CG2-CD1 4.29Å; I292-I339 HydrophobicContact CD1-CD1 4Å; I292-I339 HydrophobicContact CG1-CD1 4.25Å; I292-V415 HydrophobicContact CB-CG1 4.34Å; I292-V415 HydrophobicContact CG1-CG1 3.53Å; I292-V415 HydrophobicContact CG1-CG2 4.37Å
293C96.2Very high96.3Very high6 Ų621.4 Ų21.44%0.04113%0.13CC..Hα-helixtrans-66-43.3178.4-72.70000112.3S289 D290 T291 L295 G296 C738 M741S289-C293 WeakPolarHBondContact O-CB 3.42Å; S289-C293 PolarHBondContact O-N 3.43Å; S289-C293 PolarHBondContact O-SG 3.37Å; S289-C293 VanDerWaalsContact O-SG 3.34Å; D290-C293 PolarHBondContact O-N 3.11Å; T291-C293 VanDerWaalsContact C-N 3.33Å; C293-L295 PolarHBondContact O-N 2.91Å; C293-G296 PolarHBondContact O-N 3.31Å; C293-C738 HydrophobicContact CB-CB 3.87Å; C293-C738 VanDerWaalsContact SG-CB 3.55Å; C293-M741 HydrophobicContact CB-CE 4.32Å; C293-M741 HydrophobicContact CB-SD 3.64Å
294D94.4Very high96.5Very high73 Ų7321.5 Ų21.539%0.3913%0.13SC..Hα-helixtrans-61-30.2177.1-72.4-15.2000112.3D290 T291 G296D290-D294 WeakPolarHBondContact O-CB 3.35Å; D290-D294 PolarHBondContact O-N 3.42Å; T291-D294 PolarHBondContact O-N 3.2Å; D294-G296 VanDerWaalsContact C-N 3.3Å
295L95.9Very high96.3Very high59 Ų5921.5 Ų21.531%0.30913%0.13SC..THydrogen-bonded Turntrans-9013177-66177.4000113.8T291 I292 C293 V415 L419 H421T291-L295 HydrophobicContact CG2-CD1 4.03Å; T291-L295 HydrophobicContact CG2-CG 4.49Å; T291-L295 WeakPolarHBondContact O-CB 3.43Å; T291-L295 VanDerWaalsContact O-CG 3.32Å; T291-L295 WeakPolarHBondContact O-CG 3.5Å; T291-L295 PolarHBondContact O-N 3.26Å; T291-L295 VanDerWaalsContact O-N 3.11Å; I292-L295 PolarHBondContact O-N 2.95Å; C293-L295 PolarHBondContact O-N 2.91Å; L295-V415 HydrophobicContact CD1-CG1 4.01Å; L295-L419 HydrophobicContact CB-CD1 3.88Å; L295-L419 HydrophobicContact CD1-CD1 4.27Å; L295-H421 PolarHBondContact O-NE2 2.79Å
296G94.1Very high96.3Very high60 Ų6021.5 Ų21.562%0.61913%0.131SC*.THydrogen-bonded Turntrans83.610174.800000115.2I292 C293 D294 V298I292-G296 PolarHBondContact O-N 3.27Å; C293-G296 PolarHBondContact O-N 3.31Å; D294-G296 VanDerWaalsContact C-N 3.3Å; G296-V298 VanDerWaalsContact C-N 3.33Å; G296-V298 PolarHBondContact O-N 2.94Å
297G94.9Very high96.4Very high7 Ų721.6 Ų21.67%0.07213%0.131CC..  trans-8713.3-177.300000115.5I292 D299 E300 L301I292-G297 WeakPolarHBondContact O-CA 3.32Å; I292-G297 PolarHBondContact O-N 3.46Å; G297-D299 PolarHBondContact O-N 3.38Å; G297-E300 CarbonylContact O-C 3.59Å; G297-E300 PolarHBondContact O-N 3.38Å; G297-L301 PolarHBondContact O-N 2.81Å
298V93.9Very high96.2Very high37 Ų3722.7 Ų22.722%0.22414%0.138CC..THydrogen-bonded Turntrans-60.2-44.1-172.461.80000113.3G296 E300 L301 M741 F742G296-V298 VanDerWaalsContact C-N 3.33Å; G296-V298 PolarHBondContact O-N 2.94Å; V298-E300 VanDerWaalsContact C-N 3.27Å; V298-E300 PolarHBondContact O-N 3.29Å; V298-L301 PolarHBondContact O-N 2.89Å; V298-M741 HydrophobicContact CG2-CB 3.88Å; V298-F742 HydrophobicContact CG2-CD1 4.33Å; V298-F742 HydrophobicContact CG2-CE1 4.41Å
299D93.6Very high95.9Very high130 Ų13023.9 Ų23.970%0.69515%0.151SC*.THydrogen-bonded Turntrans-72.8-24.4-178-64-41.3000112N270 G297N270-D299 PolarHBondContact ND2-O 3.39Å; G297-D299 PolarHBondContact O-N 3.38Å
300E96.9Very high95.8Very high63 Ų6325.8 Ų25.829%0.29417%0.167SC..THydrogen-bonded Turntrans-94.5-5.8179.8-75.5-59.2152.900113.7G273 R274 I275 G297 V298 A302 H332G273-E300 CarbonylContact C-O 3.46Å; G273-E300 WeakPolarHBondContact CA-O 3.48Å; G273-E300 WeakPolarHBondContact CA-OE2 3.05Å; R274-E300 HydrophobicContact CG-CB 4.11Å; R274-E300 HydrophobicContact CG-CG 4.17Å; R274-E300 VanDerWaalsContact CG-OE2 3.3Å; R274-E300 WeakPolarHBondContact CG-OE2 3.47Å; R274-E300 PolarHBondContact N-O 3.5Å; R274-E300 PolarHBondContact N-OE2 2.87Å; I275-E300 WeakPolarHBondContact CB-O 3.31Å; I275-E300 HydrophobicContact CD1-CB 3.69Å; I275-E300 HydrophobicContact CG1-CB 4.03Å; I275-E300 PolarHBondContact N-O 2.9Å; G297-E300 CarbonylContact O-C 3.59Å; G297-E300 PolarHBondContact O-N 3.38Å; V298-E300 VanDerWaalsContact C-N 3.27Å; V298-E300 PolarHBondContact O-N 3.29Å; E300-A302 PolarHBondContact O-N 3.4Å; E300-H332 IonicContact OE1-NE2 2.8Å; E300-H332 IonicContact OE2-NE2 3.62Å
301L97.7Very high95.7Very high1 Ų126 Ų261%0.00517%0.168CC..BIsolated β-bridgetrans-72.5109.7177.5-179.961.9000110L269 I275 T277 I292 G297 V298 N303 F742L269-L301 HydrophobicContact CD1-CD2 3.9Å; L269-L301 HydrophobicContact CD1-CG 4.07Å; I275-L301 HydrophobicContact CG2-CD1 4.39Å; T277-L301 HydrophobicContact CG2-CD1 3.94Å; I292-L301 HydrophobicContact CD1-CD1 3.92Å; I292-L301 HydrophobicContact CG2-CB 4.35Å; I292-L301 HydrophobicContact CG2-CD1 4.29Å; G297-L301 PolarHBondContact O-N 2.81Å; V298-L301 PolarHBondContact O-N 2.89Å; L301-N303 WeakPolarHBondContact CD1-O 3.41Å; L301-F742 HydrophobicContact CD2-CE1 4.09Å; L301-F742 HydrophobicContact CD2-CZ 4.13Å
302A97.6Very high95.6Very high0 Ų028.1 Ų28.10%018%0.183CC..  trans-78.8-37.2-170.400000113.6L269 N270 I275 W276 E300L269-A302 PolarHBondContact N-O 3.14Å; N270-A302 PolarHBondContact N-O 3.42Å; N270-A302 WeakPolarHBondContact O-CA 3.45Å; N270-A302 VanDerWaalsContact O-CB 3.28Å; N270-A302 WeakPolarHBondContact O-CB 3.25Å; I275-A302 WeakPolarHBondContact O-CB 3.43Å; I275-A302 PolarHBondContact O-N 3.37Å; W276-A302 HydrophobicContact CD2-CB 3.61Å; W276-A302 HydrophobicContact CE3-CB 4.15Å; W276-A302 HydrophobicContact CG-CB 3.99Å; W276-A302 HydrophobicContact CH2-CB 4.14Å; W276-A302 HydrophobicContact CZ2-CB 3.6Å; W276-A302 HydrophobicContact CZ3-CB 4.4Å; E300-A302 PolarHBondContact O-N 3.4Å
303N97.7Very high95.5Very high0 Ų031.1 Ų31.10%020%0.197CC..EExtended strand (participates in β ladder)trans-145.5151.8-174.974.6-61.4000112.1L266 T267 L268 W276 T277 L301L266-N303 HydrophobicContact CD1-CB 4.1Å; T267-N303 CarbonylContact O-C 3.49Å; T267-N303 VanDerWaalsContact O-CA 3.29Å; T267-N303 WeakPolarHBondContact O-CA 3.41Å; L268-N303 HydrophobicContact CD2-CB 3.99Å; W276-N303 WeakPolarHBondContact CA-OD1 3.38Å; W276-N303 HydrophobicContact CE3-CB 4.23Å; W276-N303 HydrophobicContact CZ3-CB 4.18Å; T277-N303 PolarHBondContact N-OD1 3.17Å; T277-N303 PolarHBondContact O-ND2 3.26Å; T277-N303 PolarHBondContact OG1-O 2.84Å; L301-N303 WeakPolarHBondContact CD1-O 3.41Å
304Y96.5Very high95.4Very high1 Ų134.3 Ų34.30%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-104.1134.2154.7170.4-95.8000108.3T267 S285 V286 V746 F748 G749T267-Y304 WeakPolarHBondContact CA-O 3.37Å; T267-Y304 PolarHBondContact N-O 3.44Å; T267-Y304 PolarHBondContact O-N 2.8Å; T267-Y304 VanDerWaalsContact O-O 3.12Å; S285-Y304 PolarHBondContact OG-OH 3.11Å; S285-Y304 VanDerWaalsContact OG-OH 3.05Å; V286-Y304 HydrophobicContact CG2-CE2 4.12Å; Y304-V746 HydrophobicContact CD1-CG1 4.31Å; Y304-V746 HydrophobicContact CG-CG1 4.44Å; Y304-F748 HydrophobicContact CD1-CD1 4.25Å; Y304-F748 AromaticContact CD2-CD1 3.81Å; Y304-F748 HydrophobicContact CD2-CD1 3.81Å; Y304-F748 HydrophobicContact CD2-CE1 4.01Å; Y304-F748 HydrophobicContact CE1-CB 4.38Å; Y304-F748 AromaticContact CE1-CD1 3.95Å; Y304-F748 HydrophobicContact CE1-CD1 3.95Å; Y304-F748 AromaticContact CE2-CD1 3.46Å; Y304-F748 HydrophobicContact CE2-CD1 3.46Å; Y304-F748 VanDerWaalsContact CE2-CD1 3.46Å; Y304-F748 HydrophobicContact CE2-CE1 4.04Å; Y304-F748 HydrophobicContact CE2-CG 4.49Å; Y304-F748 HydrophobicContact CG-CD1 4.2Å; Y304-F748 HydrophobicContact CG-CE1 4.47Å; Y304-F748 AromaticContact CZ-CD1 3.56Å; Y304-G749 PolarHBondContact OH-N 3.28Å
305G94.3Very high95.5Very high0 Ų032.6 Ų32.60%020%0.201CC..EExtended strand (participates in β ladder)trans-166.1155.7177.500000112.3K265 S285 Y319K265-G305 CarbonylContact O-C 3.51Å; K265-G305 WeakPolarHBondContact O-CA 3.45Å; S285-G305 WeakPolarHBondContact CB-O 3.34Å; G305-Y319 WeakPolarHBondContact CA-OH 3.29Å
306E97Very high95.6Very high2 Ų229.8 Ų29.81%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-145.6158.3172.269.283.2-134.900112.6S263 K265 V279 G282 S308 Y319S263-E306 WeakPolarHBondContact CB-OE1 3.46Å; K265-E306 HydrophobicContact CB-CG 4.17Å; K265-E306 HydrophobicContact CG-CG 4.21Å; K265-E306 WeakPolarHBondContact CG-OE1 3.45Å; K265-E306 PolarHBondContact N-O 3.33Å; K265-E306 PolarHBondContact O-N 3.13Å; V279-E306 VanDerWaalsContact O-CA 3.22Å; V279-E306 WeakPolarHBondContact O-CA 3.49Å; G282-E306 PolarHBondContact N-OE2 3.26Å; E306-S308 WeakPolarHBondContact OE2-CB 3.45Å; E306-S308 PolarHBondContact OE2-OG 3.2Å; E306-Y319 PolarHBondContact N-OH 2.8Å
307Y97.6Very high95.8Very high1 Ų128.9 Ų28.90%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-132131.3164.767.1-81.8000110.8S263 M278 V279 A280 G281 P311 T316 Y319 T353S263-Y307 CarbonylContact O-C 3.57Å; S263-Y307 VanDerWaalsContact O-CA 3.32Å; S263-Y307 WeakPolarHBondContact O-CA 3.21Å; M278-Y307 HydrophobicContact CG-CD1 4.25Å; M278-Y307 HydrophobicContact CG-CE1 3.84Å; V279-Y307 PolarHBondContact O-N 3.01Å; A280-Y307 CarbonylContact C-O 3.6Å; A280-Y307 WeakPolarHBondContact CA-O 3.3Å; A280-Y307 HydrophobicContact CB-CD1 4.11Å; A280-Y307 HydrophobicContact CB-CD2 3.96Å; A280-Y307 HydrophobicContact CB-CE1 3.73Å; A280-Y307 HydrophobicContact CB-CE2 3.58Å; A280-Y307 HydrophobicContact CB-CG 4.21Å; A280-Y307 VanDerWaalsContact CB-CZ 3.45Å; A280-Y307 VanDerWaalsContact CB-O 3.26Å; A280-Y307 WeakPolarHBondContact CB-O 3.47Å; G281-Y307 PolarHBondContact N-O 2.91Å; Y307-P311 HydrophobicContact CD2-CG 3.89Å; Y307-T316 HydrophobicContact CD2-CG2 4.29Å; Y307-T316 HydrophobicContact CE2-CG2 4.05Å; Y307-Y319 HydrophobicContact CD1-CD1 4.47Å; Y307-Y319 HydrophobicContact CD1-CE1 4.28Å; Y307-T353 HydrophobicContact CE2-CG2 4.27Å
308S94.3Very high96Very high23 Ų2329.5 Ų29.516%0.16117%0.167CC..EExtended strand (participates in β ladder)trans-158.1-174.7-177.865.60000112.4A262 S263 E306 A310 P311A262-S308 WeakPolarHBondContact CA-O 3.49Å; A262-S308 WeakPolarHBondContact CB-O 3.24Å; S263-S308 WeakPolarHBondContact CB-OG 3.48Å; S263-S308 PolarHBondContact N-O 3.27Å; S263-S308 PolarHBondContact O-N 3.23Å; E306-S308 WeakPolarHBondContact OE2-CB 3.45Å; E306-S308 PolarHBondContact OE2-OG 3.2Å; S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 2.78Å; S308-P311 WeakPolarHBondContact O-CD 3.3Å
309G91.8Very high96.2Very high25 Ų2527.8 Ų27.826%0.25816%0.156SC..SBendtrans71.726.8-175.500000114.3
310A94.6Very high96.4Very high42 Ų4221.6 Ų21.635%0.34712%0.123SC..  trans53.562.4-178.700000114.6S308 F347 T348S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 2.78Å; A310-F347 HydrophobicContact CB-CD2 3.59Å; A310-F347 HydrophobicContact CB-CE2 3.73Å; A310-T348 PolarHBondContact N-OG1 2.86Å
311P96.1Very high96.5Very high6 Ų620.9 Ų20.94%0.03912%0.119CC..  trans-62.5153.6174.529-32.6000110.7A262 L264 Y307 S308 Q315 T353A262-P311 HydrophobicContact CB-CB 3.91Å; L264-P311 HydrophobicContact CD2-CB 4.34Å; Y307-P311 HydrophobicContact CD2-CG 3.89Å; S308-P311 WeakPolarHBondContact O-CD 3.3Å; P311-Q315 HydrophobicContact CB-CB 4.03Å; P311-T353 HydrophobicContact CG-CG2 4.18Å
312S95.4Very high96.5Very high54 Ų5421.4 Ų21.438%0.37812%0.122SC..  trans-68.2165.9175.170.40000112Q314 Q315 T316S312-Q314 PolarHBondContact O-N 2.9Å; S312-Q315 PolarHBondContact O-N 3.26Å; S312-Q315 WeakPolarHBondContact OG-CG 3.45Å; S312-Q315 PolarHBondContact OG-N 3.26Å; S312-Q315 VanDerWaalsContact OG-N 3.14Å; S312-Q315 PolarHBondContact OG-OE1 3.22Å; S312-T316 PolarHBondContact O-N 3.39Å; S312-T316 PolarHBondContact O-OG1 3.04Å
313E95.5Very high96.6Very high63 Ų6321.4 Ų21.429%0.29412%0.122SC..Hα-helixtrans-53.1-44.4170.7-176.9-175146.900111.2T316 Y317 K355 G356 R359E313-T316 PolarHBondContact O-N 2.62Å; E313-Y317 WeakPolarHBondContact O-CB 3.37Å; E313-Y317 PolarHBondContact O-N 3.42Å; E313-K355 HydrophobicContact CG-CB 4.12Å; E313-G356 WeakPolarHBondContact O-CA 3.47Å; E313-R359 IonicContact OE1-NH1 3.54Å
314Q94.4Very high96.6Very high74 Ų7421.4 Ų21.435%0.34612%0.122SC..Hα-helixtrans-65.6-47-179.3-177.5594300112.1S312 T316 Y317 D318S312-Q314 PolarHBondContact O-N 2.9Å; Q314-T316 VanDerWaalsContact C-N 3.27Å; Q314-T316 PolarHBondContact O-N 3.29Å; Q314-Y317 WeakPolarHBondContact O-CB 3.27Å; Q314-Y317 PolarHBondContact O-N 3.13Å; Q314-D318 VanDerWaalsContact NE2-CG 3.32Å; Q314-D318 PolarHBondContact NE2-OD1 3.41Å; Q314-D318 PolarHBondContact NE2-OD2 2.94Å; Q314-D318 PolarHBondContact O-N 2.77Å
315Q96.4Very high96.7Very high36 Ų3623.1 Ų23.117%0.16813%0.134CC..Hα-helixtrans-61.4-39.5177.2-71.8172.7-64.300111.6S260 L264 P311 S312 D318 Y319S260-Q315 PolarHBondContact OG-NE2 3.16Å; L264-Q315 HydrophobicContact CD1-CB 4.39Å; P311-Q315 HydrophobicContact CB-CB 4.03Å; S312-Q315 PolarHBondContact O-N 3.26Å; S312-Q315 WeakPolarHBondContact OG-CG 3.45Å; S312-Q315 PolarHBondContact OG-N 3.26Å; S312-Q315 VanDerWaalsContact OG-N 3.14Å; S312-Q315 PolarHBondContact OG-OE1 3.22Å; Q315-D318 PolarHBondContact O-N 3.48Å; Q315-Y319 WeakPolarHBondContact O-CB 3.48Å; Q315-Y319 PolarHBondContact O-N 3.37Å
316T98.2Very high96.9Very high0 Ų023.4 Ų23.40%014%0.136CC..Hα-helixtrans-68.4-38.2177.4-43.70000111.2Y307 S312 E313 Q314 Y319 A320 T353 I357Y307-T316 HydrophobicContact CD2-CG2 4.29Å; Y307-T316 HydrophobicContact CE2-CG2 4.05Å; S312-T316 PolarHBondContact O-N 3.39Å; S312-T316 PolarHBondContact O-OG1 3.04Å; E313-T316 PolarHBondContact O-N 2.62Å; Q314-T316 VanDerWaalsContact C-N 3.27Å; Q314-T316 PolarHBondContact O-N 3.29Å; T316-Y319 PolarHBondContact O-N 3.08Å; T316-A320 WeakPolarHBondContact O-CB 3.28Å; T316-A320 PolarHBondContact O-N 2.96Å; T316-T353 WeakPolarHBondContact CG2-O 3.34Å; T316-I357 HydrophobicContact CG2-CD1 4.04Å; T316-I357 HydrophobicContact CG2-CG1 3.72Å
317Y98.3Very high97Very high42 Ų4223.3 Ų23.317%0.16514%0.135CC..Hα-helixtrans-60.5-46.8171.9166.3-96.3000111.9E313 Q314 Y319 A320 K321 R359 A360 D363E313-Y317 WeakPolarHBondContact O-CB 3.37Å; E313-Y317 PolarHBondContact O-N 3.42Å; Q314-Y317 WeakPolarHBondContact O-CB 3.27Å; Q314-Y317 PolarHBondContact O-N 3.13Å; Y317-Y319 VanDerWaalsContact C-N 3.33Å; Y317-Y319 PolarHBondContact O-N 3.38Å; Y317-A320 PolarHBondContact O-N 3.3Å; Y317-K321 HydrophobicContact CD1-CD 4.41Å; Y317-K321 HydrophobicContact CE1-CD 3.88Å; Y317-K321 WeakPolarHBondContact O-CB 3.34Å; Y317-K321 PolarHBondContact O-N 3.27Å; Y317-R359 VanDerWaalsContact CD1-NH2 3.34Å; Y317-R359 HydrophobicContact CD2-CB 3.9Å; Y317-R359 HydrophobicContact CD2-CG 3.91Å; Y317-R359 VanDerWaalsContact CD2-NE 3.33Å; Y317-R359 HydrophobicContact CE2-CB 4.3Å; Y317-R359 HydrophobicContact CE2-CG 3.89Å; Y317-A360 HydrophobicContact CD2-CB 3.8Å; Y317-A360 HydrophobicContact CE2-CB 4.01Å; Y317-D363 VanDerWaalsContact CE2-OD2 3.26Å; Y317-D363 WeakPolarHBondContact CE2-OD2 3.27Å; Y317-D363 PolarHBondContact OH-OD2 3.17Å; Y317-D363 VanDerWaalsContact OH-OD2 3.08Å
318D97.6Very high97Very high20 Ų2024.2 Ų24.211%0.10714%0.141CC..Hα-helixtrans-67.2-33.2179.9-71.2-39.3000112.6L256 Q314 Q315 K321 T322L256-D318 HydrophobicContact CD1-CB 3.91Å; Q314-D318 VanDerWaalsContact NE2-CG 3.32Å; Q314-D318 PolarHBondContact NE2-OD1 3.41Å; Q314-D318 PolarHBondContact NE2-OD2 2.94Å; Q314-D318 PolarHBondContact O-N 2.77Å; Q315-D318 PolarHBondContact O-N 3.48Å; D318-K321 WeakPolarHBondContact O-CG 3.42Å; D318-K321 WeakPolarHBondContact OD1-CE 3.4Å; D318-K321 IonicContact OD1-NZ 3.94Å; D318-K321 PolarHBondContact OD1-NZ 3.39Å; D318-T322 PolarHBondContact O-OG1 3.09Å
319Y98.4Very high97.2Very high0 Ų029.7 Ų29.70%016%0.158CC..Hα-helixtrans-68.6-47.8171.1-172.7-87000111.6I253 L264 K265 L266 M278 G305 E306 Y307 Q315 T316 Y317 T322 I323I253-Y319 HydrophobicContact CD1-CD2 3.83Å; I253-Y319 HydrophobicContact CD1-CG 4.42Å; I253-Y319 HydrophobicContact CG1-CD2 4.3Å; I253-Y319 HydrophobicContact CG2-CD2 3.86Å; I253-Y319 HydrophobicContact CG2-CE2 3.75Å; L264-Y319 HydrophobicContact CB-CD2 4.24Å; L264-Y319 HydrophobicContact CD2-CD2 4.04Å; L264-Y319 HydrophobicContact CD2-CG 4.46Å; K265-Y319 WeakPolarHBondContact O-CE2 3.42Å; K265-Y319 PolarHBondContact O-OH 2.79Å; L266-Y319 HydrophobicContact CB-CE2 4.46Å; M278-Y319 HydrophobicContact CG-CD1 4.21Å; M278-Y319 HydrophobicContact CG-CE1 3.98Å; M278-Y319 HydrophobicContact SD-CD1 4.11Å; M278-Y319 HydrophobicContact SD-CE1 4.4Å; G305-Y319 WeakPolarHBondContact CA-OH 3.29Å; E306-Y319 PolarHBondContact N-OH 2.8Å; Y307-Y319 HydrophobicContact CD1-CD1 4.47Å; Y307-Y319 HydrophobicContact CD1-CE1 4.28Å; Q315-Y319 WeakPolarHBondContact O-CB 3.48Å; Q315-Y319 PolarHBondContact O-N 3.37Å; T316-Y319 PolarHBondContact O-N 3.08Å; Y317-Y319 VanDerWaalsContact C-N 3.33Å; Y317-Y319 PolarHBondContact O-N 3.38Å; Y319-T322 PolarHBondContact O-N 2.97Å; Y319-I323 HydrophobicContact CD1-CD1 3.95Å; Y319-I323 HydrophobicContact CE1-CD1 3.31Å; Y319-I323 HydrophobicContact CE1-CG1 4.28Å; Y319-I323 PolarHBondContact O-N 2.87Å
320A98.6Very high97.4Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-63.3-49.1-178.400000111.9M278 T316 Y317 T322 I323 L324 I357 A360M278-A320 HydrophobicContact CE-CB 4.13Å; M278-A320 HydrophobicContact SD-CB 3.68Å; T316-A320 WeakPolarHBondContact O-CB 3.28Å; T316-A320 PolarHBondContact O-N 2.96Å; Y317-A320 PolarHBondContact O-N 3.3Å; A320-T322 PolarHBondContact O-N 3.22Å; A320-T322 VanDerWaalsContact O-N 3.16Å; A320-I323 PolarHBondContact O-N 3.42Å; A320-I323 VanDerWaalsContact O-N 3.09Å; A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.45Å; A320-L324 PolarHBondContact O-N 2.87Å; A320-I357 HydrophobicContact CB-CG1 4.17Å; A320-A360 HydrophobicContact CB-CB 3.76Å
321K98.1Very high97.5Very high49 Ų4937.2 Ų37.221%0.21318%0.177CC..Hα-helixtrans-56.9-34.8179.880.4-175.3-175-168.30111.8Y252 Y317 D318 S325 A360 Y364Y252-K321 PolarHBondContact OH-NZ 3.41Å; Y317-K321 HydrophobicContact CD1-CD 4.41Å; Y317-K321 HydrophobicContact CE1-CD 3.88Å; Y317-K321 WeakPolarHBondContact O-CB 3.34Å; Y317-K321 PolarHBondContact O-N 3.27Å; D318-K321 WeakPolarHBondContact O-CG 3.42Å; D318-K321 WeakPolarHBondContact OD1-CE 3.4Å; D318-K321 IonicContact OD1-NZ 3.94Å; D318-K321 PolarHBondContact OD1-NZ 3.39Å; K321-S325 VanDerWaalsContact O-CB 3.24Å; K321-S325 WeakPolarHBondContact O-CB 3.12Å; K321-S325 PolarHBondContact O-N 2.78Å; K321-A360 HydrophobicContact CB-CB 4.22Å; K321-Y364 HydrophobicContact CB-CE2 3.89Å
322T98.6Very high97.6Very high11 Ų1138.6 Ų38.67%0.06718%0.183CC..Hα-helixtrans-66.1-47.3177.6-63.50000111.1E249 I253 L266 D318 Y319 A320 S325 L326E249-T322 HydrophobicContact CB-CG2 3.68Å; E249-T322 HydrophobicContact CG-CG2 4.01Å; I253-T322 HydrophobicContact CD1-CG2 4.23Å; I253-T322 HydrophobicContact CG1-CG2 4.23Å; L266-T322 HydrophobicContact CD2-CG2 4.09Å; D318-T322 PolarHBondContact O-OG1 3.09Å; Y319-T322 PolarHBondContact O-N 2.97Å; A320-T322 PolarHBondContact O-N 3.22Å; A320-T322 VanDerWaalsContact O-N 3.16Å; T322-S325 PolarHBondContact O-N 3.38Å; T322-L326 HydrophobicContact CG2-CD1 4.06Å; T322-L326 WeakPolarHBondContact O-CD1 3.24Å; T322-L326 WeakPolarHBondContact O-CG 3.24Å; T322-L326 PolarHBondContact O-N 2.86Å
323I98.7Very high97.6Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-62-46.5175.3-69-179000111.1L266 W276 M278 Y319 A320 S325 L326 M327 L338L266-I323 HydrophobicContact CD1-CG1 4.38Å; W276-I323 HydrophobicContact CE3-CG2 4Å; M278-I323 HydrophobicContact CB-CD1 3.89Å; M278-I323 HydrophobicContact CG-CD1 4.05Å; M278-I323 HydrophobicContact SD-CD1 4.2Å; Y319-I323 HydrophobicContact CD1-CD1 3.95Å; Y319-I323 HydrophobicContact CE1-CD1 3.31Å; Y319-I323 HydrophobicContact CE1-CG1 4.28Å; Y319-I323 PolarHBondContact O-N 2.87Å; A320-I323 PolarHBondContact O-N 3.42Å; A320-I323 VanDerWaalsContact O-N 3.09Å; I323-S325 VanDerWaalsContact C-N 3.31Å; I323-S325 PolarHBondContact O-N 3.38Å; I323-L326 PolarHBondContact O-N 2.91Å; I323-M327 PolarHBondContact O-N 2.98Å; I323-L338 HydrophobicContact CG2-CD1 4.07Å
324L98.7Very high97.6Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-61.5-42.2179.6-59.9-179.9000110.9A320 L326 M327 T328 L338 A360 I361 Y364 L368A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.45Å; A320-L324 PolarHBondContact O-N 2.87Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.15Å; L324-M327 HydrophobicContact CD2-SD 4.01Å; L324-M327 WeakPolarHBondContact O-CG 3.34Å; L324-M327 PolarHBondContact O-N 3.31Å; L324-T328 WeakPolarHBondContact O-CG2 3.48Å; L324-T328 PolarHBondContact O-N 2.94Å; L324-T328 PolarHBondContact O-OG1 3.32Å; L324-L338 HydrophobicContact CD2-CD2 3.69Å; L324-A360 VanDerWaalsContact CD1-C 3.5Å; L324-A360 HydrophobicContact CD1-CB 3.83Å; L324-A360 WeakPolarHBondContact CD1-O 3Å; L324-I361 HydrophobicContact CD1-CG1 4.12Å; L324-Y364 HydrophobicContact CB-CD1 4.11Å; L324-Y364 HydrophobicContact CB-CD2 4.33Å; L324-Y364 HydrophobicContact CB-CG 3.91Å; L324-Y364 HydrophobicContact CD1-CD2 4.44Å; L324-Y364 HydrophobicContact CD1-CG 4.39Å; L324-L368 HydrophobicContact CD1-CD1 4.38Å; L324-L368 HydrophobicContact CD2-CD1 4.28Å; L324-L368 HydrophobicContact CD2-CD2 4.01Å
325S98.6Very high97.8Very high37 Ų3740.6 Ų40.626%0.25920%0.201SC..Hα-helixtrans-63.3-36175.9-174.10000113.5K321 T322 I323 R329K321-S325 VanDerWaalsContact O-CB 3.24Å; K321-S325 WeakPolarHBondContact O-CB 3.12Å; K321-S325 PolarHBondContact O-N 2.78Å; T322-S325 PolarHBondContact O-N 3.38Å; I323-S325 VanDerWaalsContact C-N 3.31Å; I323-S325 PolarHBondContact O-N 3.38Å; S325-R329 WeakPolarHBondContact O-CG 3.34Å
326L98.4Very high97.9Very high7 Ų739 Ų394%0.03719%0.193CC..Hα-helixtrans-72.2-44.5179.2-78.5162000111.4E249 L266 L268 W276 T322 I323 L324 T328 R329E249-L326 HydrophobicContact CB-CD1 3.87Å; E249-L326 HydrophobicContact CB-CD2 4.27Å; E249-L326 HydrophobicContact CB-CG 4.34Å; E249-L326 HydrophobicContact CG-CD1 4.04Å; E249-L326 HydrophobicContact CG-CD2 3.8Å; E249-L326 HydrophobicContact CG-CG 3.95Å; L266-L326 HydrophobicContact CD2-CD1 4.01Å; L268-L326 HydrophobicContact CD1-CD1 4.29Å; L268-L326 HydrophobicContact CD1-CD2 3.9Å; L268-L326 HydrophobicContact CD2-CD1 4.17Å; W276-L326 HydrophobicContact CH2-CB 3.53Å; W276-L326 HydrophobicContact CZ2-CB 4.41Å; W276-L326 HydrophobicContact CZ3-CB 3.73Å; W276-L326 HydrophobicContact CZ3-CD1 4.3Å; T322-L326 HydrophobicContact CG2-CD1 4.06Å; T322-L326 WeakPolarHBondContact O-CD1 3.24Å; T322-L326 WeakPolarHBondContact O-CG 3.24Å; T322-L326 PolarHBondContact O-N 2.86Å; I323-L326 PolarHBondContact O-N 2.91Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.15Å; L326-T328 VanDerWaalsContact C-N 3.28Å; L326-T328 PolarHBondContact O-N 3.39Å; L326-R329 WeakPolarHBondContact O-CG 3.16Å
327M98.3Very high97.9Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-72.4-20.1-176.474.9-177.2-58.400113.4W276 I323 L324 K336 L338 L368 V373W276-M327 HydrophobicContact CB-CE 4.13Å; W276-M327 HydrophobicContact CD2-CB 3.56Å; W276-M327 VanDerWaalsContact CE2-CB 3.44Å; W276-M327 HydrophobicContact CE3-CB 4.23Å; W276-M327 HydrophobicContact CG-CB 3.75Å; W276-M327 HydrophobicContact CG-CE 4.05Å; W276-M327 HydrophobicContact CG-SD 4.47Å; W276-M327 HydrophobicContact CZ2-CB 4Å; I323-M327 PolarHBondContact O-N 2.98Å; L324-M327 HydrophobicContact CD2-SD 4.01Å; L324-M327 WeakPolarHBondContact O-CG 3.34Å; L324-M327 PolarHBondContact O-N 3.31Å; M327-K336 HydrophobicContact CE-CB 4.16Å; M327-K336 WeakPolarHBondContact O-CD 3.32Å; M327-K336 WeakPolarHBondContact O-CE 3.49Å; M327-K336 PolarHBondContact O-NZ 3.13Å; M327-L338 HydrophobicContact CE-CB 4.08Å; M327-L338 HydrophobicContact SD-CB 4.39Å; M327-L338 HydrophobicContact SD-CD1 4.26Å; M327-L338 HydrophobicContact SD-CD2 4.28Å; M327-L368 HydrophobicContact SD-CD2 4.18Å; M327-V373 HydrophobicContact CE-CB 4.32Å; M327-V373 HydrophobicContact CE-CG1 3.47Å; M327-V373 VanDerWaalsContact CE-CG1 3.47Å; M327-V373 HydrophobicContact CE-CG2 3.82Å; M327-V373 HydrophobicContact SD-CG1 4.34Å
328T98.3Very high97.9Very high20 Ų2037.2 Ų37.212%0.12319%0.187CC..THydrogen-bonded Turntrans-99.930.5178.965.50000113.7L324 L326 P367 L368 H371L324-T328 WeakPolarHBondContact O-CG2 3.48Å; L324-T328 PolarHBondContact O-N 2.94Å; L324-T328 PolarHBondContact O-OG1 3.32Å; L326-T328 VanDerWaalsContact C-N 3.28Å; L326-T328 PolarHBondContact O-N 3.39Å; T328-P367 HydrophobicContact CG2-CB 3.87Å; T328-L368 HydrophobicContact CG2-CD2 3.78Å; T328-L368 HydrophobicContact CG2-CG 4.32Å; T328-H371 VanDerWaalsContact C-NE2 3.3Å; T328-H371 PolarHBondContact O-CE1 3.44Å; T328-H371 PolarHBondContact O-NE2 3.35Å
329R97.4Very high98Very high138 Ų13836.3 Ų36.352%0.52118%0.182SC..SBendtrans-88.7-41.3176.3-68.9-167.7171.1167.10.6114.3E249 S325 L326E249-R329 IonicContact OE1-CZ 2.69Å; E249-R329 VanDerWaalsContact OE1-CZ 3.28Å; E249-R329 IonicContact OE1-NH1 3.66Å; E249-R329 PolarHBondContact OE1-NH1 2.92Å; E249-R329 VanDerWaalsContact OE1-NH1 3.07Å; E249-R329 IonicContact OE1-NH2 2.71Å; E249-R329 PolarHBondContact OE1-NH2 2.88Å; S325-R329 WeakPolarHBondContact O-CG 3.34Å; L326-R329 WeakPolarHBondContact O-CG 3.16Å
330E96.2Very high98Very high96 Ų9636.3 Ų36.345%0.44918%0.182SC..SBendtrans-134.2139.4-179.2-65-176.517600109R272 K336 H371R272-E330 WeakPolarHBondContact CD-OE2 3.5Å; R272-E330 WeakPolarHBondContact CG-OE2 3.42Å; R272-E330 IonicContact CZ-OE2 3.44Å; R272-E330 IonicContact NE-OE1 3.65Å; R272-E330 IonicContact NE-OE2 3.27Å; R272-E330 PolarHBondContact NE-OE2 2.99Å; R272-E330 IonicContact NH2-OE1 3.76Å; R272-E330 IonicContact NH2-OE2 2.77Å; E330-K336 WeakPolarHBondContact O-CE 3.28Å; E330-K336 PolarHBondContact O-NZ 3.49Å; E330-H371 PolarHBondContact O-CD2 2.97Å
331K96.9Very high97.9Very high128 Ų12836.3 Ų36.356%0.55718%0.182SC*.  trans-74.5150.1177.1-67.1-174.4-176.8179.50111.5E370K331-E370 VanDerWaalsContact CE-O 3.25Å; K331-E370 WeakPolarHBondContact CE-O 3.46Å; K331-E370 WeakPolarHBondContact CE-OE1 3.21Å; K331-E370 IonicContact NZ-OE1 2.62Å; K331-E370 PolarHBondContact NZ-OE1 2.91Å
332H97.9Very high97.9Very high36 Ų3634 Ų3417%0.16717%0.172CC..  trans-116.7138.1172.1-170.8-82.1000108.9R274 E300 D334 G335 K336R274-H332 HydrophobicContact CB-CB 4.37Å; E300-H332 IonicContact OE1-NE2 2.8Å; E300-H332 IonicContact OE2-NE2 3.62Å; H332-D334 VanDerWaalsContact C-N 3.28Å; H332-D334 IonicContact CE1-OD2 3.71Å; H332-D334 PolarHBondContact CE1-OD2 3.48Å; H332-D334 PolarHBondContact ND1-N 2.94Å; H332-D334 VanDerWaalsContact ND1-N 3.18Å; H332-D334 IonicContact ND1-OD2 3.54Å; H332-D334 PolarHBondContact O-N 3.17Å; H332-G335 PolarHBondContact ND1-O 3.17Å; H332-G335 PolarHBondContact O-N 3.35Å; H332-K336 HydrophobicContact CB-CG 4.02Å
333P96.4Very high97.8Very high115 Ų11533.5 Ų33.575%0.74717%0.169SC*.THydrogen-bonded Turntrans-56.3-37.1-176.9-27.635.5000114.6G335P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 3.4Å
334D96.1Very high97.8Very high115 Ų11533.6 Ų33.662%0.61517%0.169SC*.THydrogen-bonded Turntrans-93.420.9179.5-52.5-52.3000113.6R274 H332R274-D334 PolarHBondContact NH2-O 2.72Å; H332-D334 VanDerWaalsContact C-N 3.28Å; H332-D334 IonicContact CE1-OD2 3.71Å; H332-D334 PolarHBondContact CE1-OD2 3.48Å; H332-D334 PolarHBondContact ND1-N 2.94Å; H332-D334 VanDerWaalsContact ND1-N 3.18Å; H332-D334 IonicContact ND1-OD2 3.54Å; H332-D334 PolarHBondContact O-N 3.17Å
335G97.4Very high97.7Very high2 Ų233.9 Ų33.92%0.02117%0.171CC..  trans59.5-170.2-168.200000112.9R274 H332 P333R274-G335 PolarHBondContact NE-O 3.36Å; R274-G335 VanDerWaalsContact NE-O 3.12Å; H332-G335 PolarHBondContact ND1-O 3.17Å; H332-G335 PolarHBondContact O-N 3.35Å; P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 3.4Å
336K98.5Very high97.6Very high4 Ų432.5 Ų32.52%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-125.3158.7179.8-60.7-169.8-179.1-175.70112.3R274 M327 E330 H332 E372 V373 T374R274-K336 HydrophobicContact CB-CG 4.21Å; R274-K336 WeakPolarHBondContact O-CA 3.4Å; R274-K336 WeakPolarHBondContact O-CB 3.35Å; M327-K336 HydrophobicContact CE-CB 4.16Å; M327-K336 WeakPolarHBondContact O-CD 3.32Å; M327-K336 WeakPolarHBondContact O-CE 3.49Å; M327-K336 PolarHBondContact O-NZ 3.13Å; E330-K336 WeakPolarHBondContact O-CE 3.28Å; E330-K336 PolarHBondContact O-NZ 3.49Å; H332-K336 HydrophobicContact CB-CG 4.02Å; K336-E372 PolarHBondContact N-O 3.1Å; K336-V373 HydrophobicContact CB-CG2 4.26Å; K336-V373 CarbonylContact O-C 3.6Å; K336-V373 WeakPolarHBondContact O-CA 3.39Å; K336-T374 PolarHBondContact O-N 3.41Å
337V98.3Very high97.5Very high4 Ų435.9 Ų35.92%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-118.8133.2179.4173.60000109.2R274 W276 I339 T374 F376 A418R274-V337 PolarHBondContact O-N 2.96Å; W276-V337 PolarHBondContact N-O 3.38Å; V337-I339 HydrophobicContact CG1-CD1 4.46Å; V337-I339 HydrophobicContact CG1-CG1 3.86Å; V337-T374 CarbonylContact C-O 3.53Å; V337-T374 WeakPolarHBondContact CA-O 3.4Å; V337-F376 HydrophobicContact CG1-CD2 4.11Å; V337-F376 HydrophobicContact CG1-CE2 4.44Å; V337-A418 HydrophobicContact CG1-CB 3.64Å
338L98.8Very high97.3Very high0 Ų036.3 Ų36.30%018%0.179CC..EExtended strand (participates in β ladder)trans-114.2117.4168.3-177.360.9000110.6W276 M278 I323 L324 M327 I340 V373 T374 I375 F376W276-L338 HydrophobicContact CB-CD1 3.87Å; W276-L338 WeakPolarHBondContact O-CA 3.43Å; M278-L338 HydrophobicContact CB-CD1 4.33Å; I323-L338 HydrophobicContact CG2-CD1 4.07Å; L324-L338 HydrophobicContact CD2-CD2 3.69Å; M327-L338 HydrophobicContact CE-CB 4.08Å; M327-L338 HydrophobicContact SD-CB 4.39Å; M327-L338 HydrophobicContact SD-CD1 4.26Å; M327-L338 HydrophobicContact SD-CD2 4.28Å; L338-I340 HydrophobicContact CD2-CD1 3.86Å; L338-I340 HydrophobicContact CD2-CG1 4Å; L338-I340 HydrophobicContact CG-CD1 4.25Å; L338-I340 HydrophobicContact CG-CG1 3.83Å; L338-V373 HydrophobicContact CB-CG1 4.18Å; L338-T374 PolarHBondContact N-O 3.11Å; L338-I375 HydrophobicContact CB-CG1 4.19Å; L338-I375 HydrophobicContact CB-CG2 4.44Å; L338-I375 HydrophobicContact CD2-CD1 4.26Å; L338-I375 HydrophobicContact CD2-CG1 4.35Å; L338-I375 HydrophobicContact CD2-CG2 4.41Å; L338-I375 WeakPolarHBondContact O-CA 3.34Å; L338-F376 PolarHBondContact O-N 3.44Å
339I98.8Very high97.3Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-98.5103.2177.4-55.8-177.5000109I275 W276 T277 M278 Y288 I292 V337 G341 I414 V415I275-I339 HydrophobicContact CG2-CD1 4.18Å; W276-I339 PolarHBondContact O-N 2.96Å; T277-I339 HydrophobicContact CG2-CB 4.46Å; M278-I339 PolarHBondContact N-O 2.95Å; Y288-I339 HydrophobicContact CD1-CG2 3.88Å; Y288-I339 HydrophobicContact CE1-CG2 3.98Å; I292-I339 HydrophobicContact CD1-CD1 4Å; I292-I339 HydrophobicContact CG1-CD1 4.25Å; V337-I339 HydrophobicContact CG1-CD1 4.46Å; V337-I339 HydrophobicContact CG1-CG1 3.86Å; I339-G341 PolarHBondContact O-N 2.99Å; I339-I414 HydrophobicContact CG2-CD1 3.76Å; I339-I414 HydrophobicContact CG2-CG1 4.35Å; I339-V415 HydrophobicContact CD1-CG2 4.27Å
340I98.6Very high97.2Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-96.779.2175.2-50.7-177.7000108.3M278 L338 F354 I357 I361 I375 F376 V377 R378 M391M278-I340 HydrophobicContact CE-CD1 3.6Å; M278-I340 HydrophobicContact CE-CG1 3.81Å; M278-I340 HydrophobicContact CE-CG2 4.24Å; M278-I340 WeakPolarHBondContact O-CA 3.26Å; L338-I340 HydrophobicContact CD2-CD1 3.86Å; L338-I340 HydrophobicContact CD2-CG1 4Å; L338-I340 HydrophobicContact CG-CD1 4.25Å; L338-I340 HydrophobicContact CG-CG1 3.83Å; I340-F354 HydrophobicContact CG2-CE1 4.33Å; I340-F354 HydrophobicContact CG2-CZ 4.3Å; I340-I357 HydrophobicContact CD1-CG2 3.93Å; I340-I357 HydrophobicContact CG2-CD1 4.06Å; I340-I361 HydrophobicContact CD1-CD1 4.47Å; I340-I375 HydrophobicContact CD1-CG2 3.52Å; I340-I375 HydrophobicContact CG1-CG2 3.9Å; I340-F376 PolarHBondContact N-O 2.64Å; I340-V377 HydrophobicContact CB-CG2 4.27Å; I340-V377 VanDerWaalsContact O-CA 3.3Å; I340-V377 WeakPolarHBondContact O-CA 3.45Å; I340-R378 PolarHBondContact O-N 3.22Å; I340-R378 VanDerWaalsContact O-N 3.14Å; I340-M391 HydrophobicContact CD1-CE 3.72Å
341G97.4Very high97.1Very high0 Ų026.9 Ų26.90%014%0.141CC..  trans-106.8-178.2-168.900000115.5V279 A280 I339 R378V279-G341 WeakPolarHBondContact CA-O 3.47Å; A280-G341 PolarHBondContact N-O 2.83Å; I339-G341 PolarHBondContact O-N 2.99Å; G341-R378 CarbonylContact C-O 3.56Å; G341-R378 WeakPolarHBondContact CA-O 3.49Å
342G97.1Very high97Very high0 Ų022.1 Ų22.10%013%0.126CC..BIsolated β-bridgetrans147176.8157.200000113.4Y288 R378 R379Y288-G342 PolarHBondContact OH-N 2.98Å; Y288-G342 VanDerWaalsContact OH-N 3.13Å; G342-R378 PolarHBondContact N-O 3.14Å; G342-R378 VanDerWaalsContact N-O 3.16Å; G342-R378 PolarHBondContact O-NH1 3.42Å; G342-R379 VanDerWaalsContact C-NH1 3.31Å
343S96.8Very high97Very high2 Ų220.5 Ų20.51%0.01412%0.118CC..  trans-73.7177.4-178.757.20000113.2A345 R379 G655 E659S343-A345 PolarHBondContact O-N 3.09Å; S343-R379 PolarHBondContact O-NH1 3.16Å; S343-G655 VanDerWaalsContact OG-C 3.28Å; S343-G655 PolarHBondContact OG-O 2.86Å; S343-E659 VanDerWaalsContact CA-OE2 3.29Å; S343-E659 WeakPolarHBondContact CA-OE2 3.44Å; S343-E659 WeakPolarHBondContact CB-OE2 3.36Å
344I98Very high97.1Very high2 Ų215 Ų151%0.018%0.083CC..BIsolated β-bridgetrans-67.6110.7168.9-52178.7000109.4T407 N658 E659 N662I344-T407 HydrophobicContact CD1-CG2 3.95Å; I344-T407 HydrophobicContact CG1-CG2 3.96Å; I344-N658 VanDerWaalsContact CG2-ND2 3.34Å; I344-N658 WeakPolarHBondContact CG2-ND2 3.47Å; I344-N658 WeakPolarHBondContact O-CB 3.46Å; I344-N658 PolarHBondContact O-ND2 2.89Å; I344-E659 PolarHBondContact N-OE2 2.93Å; I344-E659 VanDerWaalsContact N-OE2 3.15Å; I344-N662 HydrophobicContact CD1-CB 3.66Å
345A96.8Very high97.2Very high5 Ų513.3 Ų13.34%0.0417%0.07CC..  trans-66.5150-178.700000112.4S343 G380 G381 P382 N658S343-A345 PolarHBondContact O-N 3.09Å; A345-G380 PolarHBondContact N-O 3.06Å; A345-G381 VanDerWaalsContact O-CA 3.31Å; A345-G381 WeakPolarHBondContact O-CA 3.1Å; A345-P382 WeakPolarHBondContact O-CD 3.24Å; A345-N658 PolarHBondContact O-ND2 2.83Å
346N97.5Very high97.2Very high8 Ų813.2 Ų13.24%0.0437%0.069CC..SBendtrans-87.3-48.2174.3-67.8-82.1000111.5P382 V616 N628 G630 G631 G654N346-P382 WeakPolarHBondContact O-CG 3.41Å; N346-V616 HydrophobicContact CB-CG2 3.67Å; N346-N628 WeakPolarHBondContact CB-O 3.49Å; N346-G630 PolarHBondContact OD1-N 3.18Å; N346-G631 WeakPolarHBondContact O-CA 3.39Å; N346-G654 PolarHBondContact ND2-O 2.93Å
347F95.4Very high97.2Very high79 Ų7913 Ų1335%0.3467%0.068SC..SBendtrans-134.3-17.1-174.457.3-85.2000114.9A310 N349 V616 N628A310-F347 HydrophobicContact CB-CD2 3.59Å; A310-F347 HydrophobicContact CB-CE2 3.73Å; F347-N349 PolarHBondContact O-N 2.95Å; F347-V616 HydrophobicContact CD1-CG2 4.12Å; F347-V616 HydrophobicContact CE1-CG2 4.22Å; F347-N628 HydrophobicContact CB-CB 3.78Å; F347-N628 HydrophobicContact CD1-CB 4.06Å; F347-N628 HydrophobicContact CG-CB 4.26Å
348T95.3Very high97.2Very high9 Ų913.3 Ų13.36%0.0557%0.07CC..  trans-61120.7172.6-58.50000109.6A310 V350 T353 P382A310-T348 PolarHBondContact N-OG1 2.86Å; T348-V350 PolarHBondContact O-N 2.81Å; T348-T353 HydrophobicContact CG2-CG2 3.63Å; T348-P382 WeakPolarHBondContact O-CD 3.47Å
349N96.8Very high97.1Very high53 Ų5316 Ų1628%0.2838%0.08SC..  trans-73.9105.4175.8-178.3-24.5000109.7F347 A351 A352 T353F347-N349 PolarHBondContact O-N 2.95Å; N349-A351 VanDerWaalsContact C-N 3.31Å; N349-A351 PolarHBondContact O-N 2.84Å; N349-A351 WeakPolarHBondContact OD1-CB 3.48Å; N349-A351 PolarHBondContact OD1-N 3.47Å; N349-A352 HydrophobicContact CB-CB 4.09Å; N349-A352 PolarHBondContact O-N 3.32Å; N349-A352 PolarHBondContact OD1-N 2.99Å; N349-A352 VanDerWaalsContact OD1-N 3.12Å; N349-T353 PolarHBondContact O-N 3.49Å; N349-T353 VanDerWaalsContact O-N 3.08Å; N349-T353 PolarHBondContact O-OG1 2.98Å
350V96.8Very high97.1Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-64.5-37.3-175.2178.40000111.1T348 T353 F354 R379 G380 P382T348-V350 PolarHBondContact O-N 2.81Å; V350-T353 WeakPolarHBondContact CA-OG1 3.38Å; V350-T353 PolarHBondContact O-N 2.94Å; V350-T353 PolarHBondContact O-OG1 3.19Å; V350-F354 HydrophobicContact CG1-CD1 4.13Å; V350-F354 HydrophobicContact CG1-CD2 4.1Å; V350-F354 HydrophobicContact CG1-CE1 4.2Å; V350-F354 HydrophobicContact CG1-CE2 4.16Å; V350-F354 HydrophobicContact CG1-CG 4.11Å; V350-F354 HydrophobicContact CG1-CZ 4.24Å; V350-F354 VanDerWaalsContact O-CB 3.24Å; V350-F354 WeakPolarHBondContact O-CB 3.35Å; V350-F354 WeakPolarHBondContact O-CG 3.47Å; V350-F354 PolarHBondContact O-N 2.87Å; V350-R379 HydrophobicContact CG1-CB 4.36Å; V350-R379 HydrophobicContact CG1-CG 3.72Å; V350-R379 HydrophobicContact CG2-CG 3.97Å; V350-G380 WeakPolarHBondContact CG2-O 3.49Å; V350-P382 WeakPolarHBondContact CB-O 3.46Å; V350-P382 PolarHBondContact N-O 2.8Å
351A94.1Very high97.1Very high2 Ų216 Ų162%0.0178%0.08CC..Hα-helixtrans-61.5-45.7176.800000111.8N349 K355 N383 E386N349-A351 VanDerWaalsContact C-N 3.31Å; N349-A351 PolarHBondContact O-N 2.84Å; N349-A351 WeakPolarHBondContact OD1-CB 3.48Å; N349-A351 PolarHBondContact OD1-N 3.47Å; A351-K355 WeakPolarHBondContact O-CB 3.03Å; A351-K355 VanDerWaalsContact O-CG 3.25Å; A351-K355 WeakPolarHBondContact O-CG 3.49Å; A351-K355 PolarHBondContact O-N 3.34Å; A351-N383 HydrophobicContact CB-CB 3.81Å; A351-E386 HydrophobicContact CB-CB 4.05Å; A351-E386 HydrophobicContact CB-CG 4.04Å
352A94.9Very high97.1Very high29 Ų2921.3 Ų21.324%0.2410%0.1CC..Hα-helixtrans-65-46.7178.500000111.9N349 F354 K355 G356N349-A352 HydrophobicContact CB-CB 4.09Å; N349-A352 PolarHBondContact O-N 3.32Å; N349-A352 PolarHBondContact OD1-N 2.99Å; N349-A352 VanDerWaalsContact OD1-N 3.12Å; A352-F354 VanDerWaalsContact C-N 3.35Å; A352-F354 PolarHBondContact O-N 3.02Å; A352-K355 PolarHBondContact O-N 3.02Å; A352-G356 PolarHBondContact O-N 3.28Å
353T97.8Very high97.2Very high1 Ų125.8 Ų25.81%0.00612%0.124CC..Hα-helixtrans-64.1-41178.552.90000111.7Y307 P311 T316 T348 N349 V350 G356 I357Y307-T353 HydrophobicContact CE2-CG2 4.27Å; P311-T353 HydrophobicContact CG-CG2 4.18Å; T316-T353 WeakPolarHBondContact CG2-O 3.34Å; T348-T353 HydrophobicContact CG2-CG2 3.63Å; N349-T353 PolarHBondContact O-N 3.49Å; N349-T353 VanDerWaalsContact O-N 3.08Å; N349-T353 PolarHBondContact O-OG1 2.98Å; V350-T353 WeakPolarHBondContact CA-OG1 3.38Å; V350-T353 PolarHBondContact O-N 2.94Å; V350-T353 PolarHBondContact O-OG1 3.19Å; T353-G356 PolarHBondContact O-N 3.39Å; T353-I357 PolarHBondContact O-N 2.9Å; T353-I357 VanDerWaalsContact O-N 3.15Å
354F98.3Very high97.2Very high0 Ų028.4 Ų28.40%013%0.134CC..Hα-helixtrans-73.6-29.9-178.7-79.620.4000112.1I340 V350 A352 G356 I357 V358 V377 R379 G387 L388 V390 M391I340-F354 HydrophobicContact CG2-CE1 4.33Å; I340-F354 HydrophobicContact CG2-CZ 4.3Å; V350-F354 HydrophobicContact CG1-CD1 4.13Å; V350-F354 HydrophobicContact CG1-CD2 4.1Å; V350-F354 HydrophobicContact CG1-CE1 4.2Å; V350-F354 HydrophobicContact CG1-CE2 4.16Å; V350-F354 HydrophobicContact CG1-CG 4.11Å; V350-F354 HydrophobicContact CG1-CZ 4.24Å; V350-F354 VanDerWaalsContact O-CB 3.24Å; V350-F354 WeakPolarHBondContact O-CB 3.35Å; V350-F354 WeakPolarHBondContact O-CG 3.47Å; V350-F354 PolarHBondContact O-N 2.87Å; A352-F354 VanDerWaalsContact C-N 3.35Å; A352-F354 PolarHBondContact O-N 3.02Å; F354-G356 VanDerWaalsContact C-N 3.28Å; F354-G356 PolarHBondContact O-N 2.82Å; F354-I357 HydrophobicContact CD1-CD1 3.81Å; F354-I357 HydrophobicContact CE1-CD1 4.07Å; F354-I357 PolarHBondContact O-N 3.06Å; F354-V358 WeakPolarHBondContact O-CB 3.46Å; F354-V358 WeakPolarHBondContact O-CG2 3.45Å; F354-V358 PolarHBondContact O-N 2.92Å; F354-V377 HydrophobicContact CE2-CG1 3.53Å; F354-V377 HydrophobicContact CZ-CG1 3.8Å; F354-R379 HydrophobicContact CE1-CB 4.43Å; F354-R379 HydrophobicContact CE1-CG 4.17Å; F354-R379 HydrophobicContact CE2-CB 4.07Å; F354-R379 HydrophobicContact CZ-CB 3.57Å; F354-R379 HydrophobicContact CZ-CG 3.78Å; F354-G387 WeakPolarHBondContact CD2-O 2.95Å; F354-L388 HydrophobicContact CE2-CD2 3.94Å; F354-V390 HydrophobicContact CB-CG2 4.5Å; F354-M391 HydrophobicContact CB-CG 4.24Å; F354-M391 HydrophobicContact CD2-CB 4.5Å; F354-M391 HydrophobicContact CD2-CG 3.36Å; F354-M391 HydrophobicContact CD2-SD 4.41Å; F354-M391 HydrophobicContact CE2-CG 3.9Å; F354-M391 HydrophobicContact CG-CG 4.06Å
355K97.4Very high97.2Very high79 Ų7931.9 Ų31.934%0.34315%0.15SC..Hα-helixtrans-58.1-41.4169-78.8169.9-179.21740111.8E313 A351 A352 V358 R359E313-K355 HydrophobicContact CG-CB 4.12Å; A351-K355 WeakPolarHBondContact O-CB 3.03Å; A351-K355 VanDerWaalsContact O-CG 3.25Å; A351-K355 WeakPolarHBondContact O-CG 3.49Å; A351-K355 PolarHBondContact O-N 3.34Å; A352-K355 PolarHBondContact O-N 3.02Å; K355-V358 PolarHBondContact O-N 2.82Å; K355-R359 WeakPolarHBondContact O-CB 3.43Å; K355-R359 PolarHBondContact O-N 2.87Å
356G97.6Very high97.3Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-62.7-45.2174.700000112.5E313 A352 T353 F354 R359 A360E313-G356 WeakPolarHBondContact O-CA 3.47Å; A352-G356 PolarHBondContact O-N 3.28Å; T353-G356 PolarHBondContact O-N 3.39Å; F354-G356 VanDerWaalsContact C-N 3.28Å; F354-G356 PolarHBondContact O-N 2.82Å; G356-R359 PolarHBondContact O-N 3.28Å; G356-A360 PolarHBondContact O-N 3.1Å; G356-A360 VanDerWaalsContact O-N 3.15Å
357I98.6Very high97.3Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-62.8-47.7175.9-66169000111.4M278 T316 A320 I340 T353 F354 R359 A360 I361 M391M278-I357 HydrophobicContact CE-CB 4.42Å; M278-I357 HydrophobicContact CE-CD1 3.95Å; M278-I357 HydrophobicContact CE-CG1 3.91Å; M278-I357 HydrophobicContact CE-CG2 3.68Å; M278-I357 HydrophobicContact SD-CD1 4.49Å; M278-I357 HydrophobicContact SD-CG1 4.37Å; T316-I357 HydrophobicContact CG2-CD1 4.04Å; T316-I357 HydrophobicContact CG2-CG1 3.72Å; A320-I357 HydrophobicContact CB-CG1 4.17Å; I340-I357 HydrophobicContact CD1-CG2 3.93Å; I340-I357 HydrophobicContact CG2-CD1 4.06Å; T353-I357 PolarHBondContact O-N 2.9Å; T353-I357 VanDerWaalsContact O-N 3.15Å; F354-I357 HydrophobicContact CD1-CD1 3.81Å; F354-I357 HydrophobicContact CE1-CD1 4.07Å; F354-I357 PolarHBondContact O-N 3.06Å; I357-R359 VanDerWaalsContact C-N 3.27Å; I357-R359 PolarHBondContact O-N 2.79Å; I357-A360 PolarHBondContact O-N 3.44Å; I357-A360 VanDerWaalsContact O-N 3.14Å; I357-I361 HydrophobicContact CG2-CD1 3.76Å; I357-I361 HydrophobicContact CG2-CG1 4.33Å; I357-I361 WeakPolarHBondContact O-CG1 3.31Å; I357-I361 PolarHBondContact O-N 3.03Å; I357-M391 HydrophobicContact CG2-CE 4.24Å; I357-M391 HydrophobicContact CG2-SD 4.01Å
358V98.4Very high97.5Very high10 Ų1031.8 Ų31.86%0.06117%0.165CC..Hα-helixtrans-57.5-42.5178.4164.50000110.8F354 K355 I361 R362 V390 M391 V394F354-V358 WeakPolarHBondContact O-CB 3.46Å; F354-V358 WeakPolarHBondContact O-CG2 3.45Å; F354-V358 PolarHBondContact O-N 2.92Å; K355-V358 PolarHBondContact O-N 2.82Å; V358-I361 PolarHBondContact O-N 3.32Å; V358-R362 WeakPolarHBondContact O-CG 3.12Å; V358-R362 PolarHBondContact O-N 2.86Å; V358-V390 HydrophobicContact CG2-CB 4.24Å; V358-V390 HydrophobicContact CG2-CG2 3.93Å; V358-M391 HydrophobicContact CG2-CG 4.22Å; V358-M391 HydrophobicContact CG2-SD 3.52Å; V358-M391 VanDerWaalsContact CG2-SD 3.52Å; V358-V394 HydrophobicContact CG1-CB 3.9Å; V358-V394 HydrophobicContact CG1-CG1 4.26Å; V358-V394 HydrophobicContact CG1-CG2 4.09Å; V358-V394 HydrophobicContact CG2-CB 4.43Å; V358-V394 HydrophobicContact CG2-CG1 3.95Å
359R97.8Very high97.6Very high56 Ų5636.4 Ų36.421%0.21118%0.184CC..Hα-helixtrans-60.5-47.5176.1-171.2170.868.3-177.37.2111.2E313 Y317 K355 G356 I357 I361 R362 D363E313-R359 IonicContact OE1-NH1 3.54Å; Y317-R359 VanDerWaalsContact CD1-NH2 3.34Å; Y317-R359 HydrophobicContact CD2-CB 3.9Å; Y317-R359 HydrophobicContact CD2-CG 3.91Å; Y317-R359 VanDerWaalsContact CD2-NE 3.33Å; Y317-R359 HydrophobicContact CE2-CB 4.3Å; Y317-R359 HydrophobicContact CE2-CG 3.89Å; K355-R359 WeakPolarHBondContact O-CB 3.43Å; K355-R359 PolarHBondContact O-N 2.87Å; G356-R359 PolarHBondContact O-N 3.28Å; I357-R359 VanDerWaalsContact C-N 3.27Å; I357-R359 PolarHBondContact O-N 2.79Å; R359-I361 PolarHBondContact O-N 3.07Å; R359-R362 WeakPolarHBondContact O-CB 3.42Å; R359-R362 PolarHBondContact O-N 3.21Å; R359-R362 VanDerWaalsContact O-N 3.16Å; R359-D363 VanDerWaalsContact O-CG 3.3Å; R359-D363 PolarHBondContact O-N 3.48Å
360A98.3Very high97.7Very high0 Ų039.1 Ų39.10%020%0.195CC..Hα-helixtrans-62.4-39.5176.600000112.6Y317 A320 K321 L324 G356 I357 R362 D363 Y364Y317-A360 HydrophobicContact CD2-CB 3.8Å; Y317-A360 HydrophobicContact CE2-CB 4.01Å; A320-A360 HydrophobicContact CB-CB 3.76Å; K321-A360 HydrophobicContact CB-CB 4.22Å; L324-A360 VanDerWaalsContact CD1-C 3.5Å; L324-A360 HydrophobicContact CD1-CB 3.83Å; L324-A360 WeakPolarHBondContact CD1-O 3Å; G356-A360 PolarHBondContact O-N 3.1Å; G356-A360 VanDerWaalsContact O-N 3.15Å; I357-A360 PolarHBondContact O-N 3.44Å; I357-A360 VanDerWaalsContact O-N 3.14Å; A360-R362 VanDerWaalsContact C-N 3.33Å; A360-R362 PolarHBondContact O-N 2.91Å; A360-D363 PolarHBondContact O-N 3.41Å; A360-Y364 WeakPolarHBondContact O-CD2 3.16Å; A360-Y364 PolarHBondContact O-N 2.95Å
361I98.6Very high97.7Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-62.1-40.5175.1-68.5169.1000111.1L324 I340 I357 V358 R359 D363 Y364 Q365 L368 I375 M391 V394 I400 I402L324-I361 HydrophobicContact CD1-CG1 4.12Å; I340-I361 HydrophobicContact CD1-CD1 4.47Å; I357-I361 HydrophobicContact CG2-CD1 3.76Å; I357-I361 HydrophobicContact CG2-CG1 4.33Å; I357-I361 WeakPolarHBondContact O-CG1 3.31Å; I357-I361 PolarHBondContact O-N 3.03Å; V358-I361 PolarHBondContact O-N 3.32Å; R359-I361 PolarHBondContact O-N 3.07Å; I361-D363 VanDerWaalsContact C-N 3.34Å; I361-Y364 CarbonylContact O-C 3.46Å; I361-Y364 PolarHBondContact O-N 3.06Å; I361-Q365 WeakPolarHBondContact O-CA 3.44Å; I361-Q365 WeakPolarHBondContact O-CB 3.49Å; I361-Q365 PolarHBondContact O-N 3.4Å; I361-L368 HydrophobicContact CG2-CD1 4.25Å; I361-I375 HydrophobicContact CD1-CD1 4.02Å; I361-I375 HydrophobicContact CG1-CD1 4.44Å; I361-M391 HydrophobicContact CD1-CE 3.86Å; I361-M391 HydrophobicContact CD1-SD 4.25Å; I361-V394 HydrophobicContact CB-CG2 4.44Å; I361-V394 HydrophobicContact CG2-CG1 4.43Å; I361-V394 HydrophobicContact CG2-CG2 3.93Å; I361-I400 HydrophobicContact CG2-CD1 4.04Å; I361-I402 HydrophobicContact CD1-CD1 4.47Å
362R97.9Very high97.9Very high113 Ų11345.9 Ų45.943%0.42623%0.226SC..Hα-helixtrans-63.4-41.5176.1-73.1178.1-180-172.9-1.1111.6V358 R359 A360 Y364 Q365 V394V358-R362 WeakPolarHBondContact O-CG 3.12Å; V358-R362 PolarHBondContact O-N 2.86Å; R359-R362 WeakPolarHBondContact O-CB 3.42Å; R359-R362 PolarHBondContact O-N 3.21Å; R359-R362 VanDerWaalsContact O-N 3.16Å; A360-R362 VanDerWaalsContact C-N 3.33Å; A360-R362 PolarHBondContact O-N 2.91Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; R362-Q365 VanDerWaalsContact O-CG 3.3Å; R362-Q365 WeakPolarHBondContact O-CG 3.41Å; R362-Q365 PolarHBondContact O-N 3Å; R362-Q365 PolarHBondContact O-NE2 3.31Å; R362-V394 HydrophobicContact CG-CG2 3.7Å
363D97.5Very high98.1Very high93 Ų9344.6 Ų44.650%0.49722%0.216SC..Hα-helixtrans-69.5-34-179.6-62.3-18.3000111.8Y317 R359 A360 I361Y317-D363 VanDerWaalsContact CE2-OD2 3.26Å; Y317-D363 WeakPolarHBondContact CE2-OD2 3.27Å; Y317-D363 PolarHBondContact OH-OD2 3.17Å; Y317-D363 VanDerWaalsContact OH-OD2 3.08Å; R359-D363 VanDerWaalsContact O-CG 3.3Å; R359-D363 PolarHBondContact O-N 3.48Å; A360-D363 PolarHBondContact O-N 3.41Å; I361-D363 VanDerWaalsContact C-N 3.34Å
364Y98.3Very high98.1Very high58 Ų5846.4 Ų46.423%0.22723%0.227CC..THydrogen-bonded Turntrans-98.514179-77.1-100.5000114.1K321 L324 A360 I361 R362 G366 P367 L368K321-Y364 HydrophobicContact CB-CE2 3.89Å; L324-Y364 HydrophobicContact CB-CD1 4.11Å; L324-Y364 HydrophobicContact CB-CD2 4.33Å; L324-Y364 HydrophobicContact CB-CG 3.91Å; L324-Y364 HydrophobicContact CD1-CD2 4.44Å; L324-Y364 HydrophobicContact CD1-CG 4.39Å; A360-Y364 WeakPolarHBondContact O-CD2 3.16Å; A360-Y364 PolarHBondContact O-N 2.95Å; I361-Y364 CarbonylContact O-C 3.46Å; I361-Y364 PolarHBondContact O-N 3.06Å; R362-Y364 VanDerWaalsContact C-N 3.35Å; Y364-G366 VanDerWaalsContact C-N 3.26Å; Y364-G366 PolarHBondContact O-N 3.14Å; Y364-G366 VanDerWaalsContact O-N 3.15Å; Y364-P367 WeakPolarHBondContact O-CD 3.44Å; Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 VanDerWaalsContact O-CG 3.24Å; Y364-L368 WeakPolarHBondContact O-CG 3.21Å; Y364-L368 PolarHBondContact O-N 3.4Å
365Q97.8Very high98.2Very high75 Ų7546.4 Ų46.435%0.3523%0.227SC..Hα-helixtrans-60.7-32-171.170.1-177-80.600114.2I361 R362 K369 T398 I400I361-Q365 WeakPolarHBondContact O-CA 3.44Å; I361-Q365 WeakPolarHBondContact O-CB 3.49Å; I361-Q365 PolarHBondContact O-N 3.4Å; R362-Q365 VanDerWaalsContact O-CG 3.3Å; R362-Q365 WeakPolarHBondContact O-CG 3.41Å; R362-Q365 PolarHBondContact O-N 3Å; R362-Q365 PolarHBondContact O-NE2 3.31Å; Q365-K369 VanDerWaalsContact O-CG 3.32Å; Q365-K369 WeakPolarHBondContact O-CG 3.36Å; Q365-K369 PolarHBondContact O-N 3.3Å; Q365-T398 HydrophobicContact CB-CG2 4.01Å; Q365-I400 HydrophobicContact CB-CD1 4.25Å
366G97.9Very high98.2Very high42 Ų4243 Ų4343%0.43321%0.212SC..Hα-helixtrans-67.2-62.6177.700000111.5Y364 L368 K369 E370Y364-G366 VanDerWaalsContact C-N 3.26Å; Y364-G366 PolarHBondContact O-N 3.14Å; Y364-G366 VanDerWaalsContact O-N 3.15Å; G366-L368 VanDerWaalsContact C-N 3.26Å; G366-L368 PolarHBondContact O-N 2.71Å; G366-K369 PolarHBondContact O-N 3.07Å; G366-K369 VanDerWaalsContact O-N 3.16Å; G366-E370 PolarHBondContact O-N 3.44Å; G366-E370 VanDerWaalsContact O-N 3.15Å
367P98.3Very high98.3Very high48 Ų4843 Ų4331%0.31221%0.212SC..Hα-helixtrans-54.7-36.8177.2-29.135.7000114.2T328 Y364 K369 E370 H371T328-P367 HydrophobicContact CG2-CB 3.87Å; Y364-P367 WeakPolarHBondContact O-CD 3.44Å; P367-K369 PolarHBondContact O-N 3.26Å; P367-E370 WeakPolarHBondContact O-CB 3.43Å; P367-E370 PolarHBondContact O-N 3.39Å; P367-H371 PolarHBondContact O-N 2.89Å; P367-H371 VanDerWaalsContact O-N 3.11Å; P367-H371 PolarHBondContact O-ND1 2.94Å
368L98.5Very high98.2Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-63.8-39.9178.6-70.9172.4000113.2L324 M327 T328 I361 Y364 G366 E372 V373 I400L324-L368 HydrophobicContact CD1-CD1 4.38Å; L324-L368 HydrophobicContact CD2-CD1 4.28Å; L324-L368 HydrophobicContact CD2-CD2 4.01Å; M327-L368 HydrophobicContact SD-CD2 4.18Å; T328-L368 HydrophobicContact CG2-CD2 3.78Å; T328-L368 HydrophobicContact CG2-CG 4.32Å; I361-L368 HydrophobicContact CG2-CD1 4.25Å; Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 VanDerWaalsContact O-CG 3.24Å; Y364-L368 WeakPolarHBondContact O-CG 3.21Å; Y364-L368 PolarHBondContact O-N 3.4Å; G366-L368 VanDerWaalsContact C-N 3.26Å; G366-L368 PolarHBondContact O-N 2.71Å; L368-E372 PolarHBondContact O-N 3.03Å; L368-V373 HydrophobicContact CB-CB 4.45Å; L368-V373 HydrophobicContact CB-CG2 4.49Å; L368-V373 HydrophobicContact CD2-CB 4.03Å; L368-V373 HydrophobicContact CD2-CG1 4.14Å; L368-V373 HydrophobicContact CD2-CG2 3.77Å; L368-V373 WeakPolarHBondContact O-CG2 3.34Å; L368-V373 PolarHBondContact O-N 3.4Å; L368-I400 HydrophobicContact CB-CD1 3.78Å; L368-I400 HydrophobicContact CB-CG1 4.49Å; L368-I400 HydrophobicContact CD1-CD1 3.82Å; L368-I400 HydrophobicContact CG-CD1 4.47Å
369K98.3Very high98.2Very high105 Ų10542.9 Ų42.946%0.45721%0.21SC..Hα-helixtrans-66.9-41.2174-69.1170.7-172.1-179.70111.4Q365 G366 P367 H371 E372 T398 I400Q365-K369 VanDerWaalsContact O-CG 3.32Å; Q365-K369 WeakPolarHBondContact O-CG 3.36Å; Q365-K369 PolarHBondContact O-N 3.3Å; G366-K369 PolarHBondContact O-N 3.07Å; G366-K369 VanDerWaalsContact O-N 3.16Å; P367-K369 PolarHBondContact O-N 3.26Å; K369-H371 PolarHBondContact O-N 3.02Å; K369-E372 PolarHBondContact O-N 3.44Å; K369-E372 VanDerWaalsContact O-N 3.08Å; K369-T398 WeakPolarHBondContact CE-O 3.33Å; K369-T398 PolarHBondContact NZ-O 3.26Å; K369-I400 HydrophobicContact CG-CG1 4Å
370E97.9Very high98.1Very high110 Ų11040.2 Ų40.251%0.51420%0.2SC..Hα-helixtrans-63-28.4-178.4-154-156.3147.600113.1K331 G366 P367K331-E370 VanDerWaalsContact CE-O 3.25Å; K331-E370 WeakPolarHBondContact CE-O 3.46Å; K331-E370 WeakPolarHBondContact CE-OE1 3.21Å; K331-E370 IonicContact NZ-OE1 2.62Å; K331-E370 PolarHBondContact NZ-OE1 2.91Å; G366-E370 PolarHBondContact O-N 3.44Å; G366-E370 VanDerWaalsContact O-N 3.15Å; P367-E370 WeakPolarHBondContact O-CB 3.43Å; P367-E370 PolarHBondContact O-N 3.39Å
371H98.3Very high98Very high14 Ų1440.5 Ų40.57%0.06520%0.203CC..THydrogen-bonded Turntrans-98.79.6178.5-67.675.6000113T328 E330 P367 K369 V373T328-H371 VanDerWaalsContact C-NE2 3.3Å; T328-H371 PolarHBondContact O-CE1 3.44Å; T328-H371 PolarHBondContact O-NE2 3.35Å; E330-H371 PolarHBondContact O-CD2 2.97Å; P367-H371 PolarHBondContact O-N 2.89Å; P367-H371 VanDerWaalsContact O-N 3.11Å; P367-H371 PolarHBondContact O-ND1 2.94Å; K369-H371 PolarHBondContact O-N 3.02Å; H371-V373 VanDerWaalsContact C-N 3.25Å; H371-V373 HydrophobicContact CB-CG2 3.97Å; H371-V373 PolarHBondContact O-N 3.03Å
372E98.4Very high97.8Very high131 Ų13141.1 Ų41.161%0.61221%0.207SC*.THydrogen-bonded Turntrans50.944.8178.3-59.1-177.3159.300112.5K336 L368 K369 T374K336-E372 PolarHBondContact N-O 3.1Å; L368-E372 PolarHBondContact O-N 3.03Å; K369-E372 PolarHBondContact O-N 3.44Å; K369-E372 VanDerWaalsContact O-N 3.08Å; E372-T374 PolarHBondContact O-N 3.36Å
373V98.6Very high97.6Very high2 Ų236.7 Ų36.71%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-74.8125.3-177.5-177.70000110.7M327 K336 L338 L368 H371 I375M327-V373 HydrophobicContact CE-CB 4.32Å; M327-V373 HydrophobicContact CE-CG1 3.47Å; M327-V373 VanDerWaalsContact CE-CG1 3.47Å; M327-V373 HydrophobicContact CE-CG2 3.82Å; M327-V373 HydrophobicContact SD-CG1 4.34Å; K336-V373 HydrophobicContact CB-CG2 4.26Å; K336-V373 CarbonylContact O-C 3.6Å; K336-V373 WeakPolarHBondContact O-CA 3.39Å; L338-V373 HydrophobicContact CB-CG1 4.18Å; L368-V373 HydrophobicContact CB-CB 4.45Å; L368-V373 HydrophobicContact CB-CG2 4.49Å; L368-V373 HydrophobicContact CD2-CB 4.03Å; L368-V373 HydrophobicContact CD2-CG1 4.14Å; L368-V373 HydrophobicContact CD2-CG2 3.77Å; L368-V373 WeakPolarHBondContact O-CG2 3.34Å; L368-V373 PolarHBondContact O-N 3.4Å; H371-V373 VanDerWaalsContact C-N 3.25Å; H371-V373 HydrophobicContact CB-CG2 3.97Å; H371-V373 PolarHBondContact O-N 3.03Å; V373-I375 HydrophobicContact CG1-CG1 4.19Å
374T98.5Very high97.5Very high39 Ų3933.2 Ų33.224%0.23917%0.172CC..EExtended strand (participates in β ladder)trans-106129.8169.9-54.50000110.9K336 V337 L338 E372 F376 P401K336-T374 PolarHBondContact O-N 3.41Å; V337-T374 CarbonylContact C-O 3.53Å; V337-T374 WeakPolarHBondContact CA-O 3.4Å; L338-T374 PolarHBondContact N-O 3.11Å; E372-T374 PolarHBondContact O-N 3.36Å; T374-F376 HydrophobicContact CG2-CD2 4.25Å; T374-F376 HydrophobicContact CG2-CE2 3.51Å; T374-F376 HydrophobicContact CG2-CZ 4.01Å; T374-P401 HydrophobicContact CG2-CB 4.18Å; T374-P401 HydrophobicContact CG2-CG 4.15Å
375I98.8Very high97.1Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-108.7131-173.3-51.1-176.3000110.3L338 I340 I361 V373 V377 I400 P401 I402 H403L338-I375 HydrophobicContact CB-CG1 4.19Å; L338-I375 HydrophobicContact CB-CG2 4.44Å; L338-I375 HydrophobicContact CD2-CD1 4.26Å; L338-I375 HydrophobicContact CD2-CG1 4.35Å; L338-I375 HydrophobicContact CD2-CG2 4.41Å; L338-I375 WeakPolarHBondContact O-CA 3.34Å; I340-I375 HydrophobicContact CD1-CG2 3.52Å; I340-I375 HydrophobicContact CG1-CG2 3.9Å; I361-I375 HydrophobicContact CD1-CD1 4.02Å; I361-I375 HydrophobicContact CG1-CD1 4.44Å; V373-I375 HydrophobicContact CG1-CG1 4.19Å; I375-V377 HydrophobicContact CG2-CG2 4.01Å; I375-I400 HydrophobicContact CD1-CG2 3.96Å; I375-I400 HydrophobicContact CG1-CG2 4.16Å; I375-P401 PolarHBondContact N-O 2.77Å; I375-I402 HydrophobicContact CB-CB 4.38Å; I375-I402 HydrophobicContact CB-CG1 4.04Å; I375-I402 HydrophobicContact CB-CG2 4.17Å; I375-I402 HydrophobicContact CD1-CD1 4.02Å; I375-I402 HydrophobicContact CD1-CG1 4.11Å; I375-I402 HydrophobicContact CG1-CG1 4.35Å; I375-I402 HydrophobicContact CG2-CG2 4.17Å; I375-I402 CarbonylContact O-C 3.59Å; I375-I402 WeakPolarHBondContact O-CA 3.46Å; I375-H403 PolarHBondContact O-N 2.93Å
376F98.6Very high96.7Very high8 Ų830.1 Ų30.14%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-118126.3174.9-69.6-96.6000110.3V337 L338 I340 T374 H403 F405 I414 M417 A418 I424V337-F376 HydrophobicContact CG1-CD2 4.11Å; V337-F376 HydrophobicContact CG1-CE2 4.44Å; L338-F376 PolarHBondContact O-N 3.44Å; I340-F376 PolarHBondContact N-O 2.64Å; T374-F376 HydrophobicContact CG2-CD2 4.25Å; T374-F376 HydrophobicContact CG2-CE2 3.51Å; T374-F376 HydrophobicContact CG2-CZ 4.01Å; F376-H403 HydrophobicContact CD1-CB 3.94Å; F376-H403 HydrophobicContact CE1-CB 4.14Å; F376-H403 AromaticContact CE1-CD2 3.63Å; F376-H403 AromaticContact CZ-CD2 3.71Å; F376-F405 HydrophobicContact CD1-CE2 4.4Å; F376-I414 HydrophobicContact CB-CB 4.21Å; F376-I414 HydrophobicContact CB-CD1 4.31Å; F376-M417 HydrophobicContact CD1-CB 4.24Å; F376-M417 HydrophobicContact CE1-CB 3.89Å; F376-A418 HydrophobicContact CD1-CB 4.27Å; F376-A418 HydrophobicContact CD2-CB 3.47Å; F376-A418 VanDerWaalsContact CD2-CB 3.47Å; F376-A418 HydrophobicContact CE1-CB 4.32Å; F376-A418 HydrophobicContact CE2-CB 3.51Å; F376-A418 HydrophobicContact CG-CB 3.87Å; F376-A418 HydrophobicContact CZ-CB 3.96Å; F376-I424 HydrophobicContact CE1-CD1 3.93Å; F376-I424 HydrophobicContact CE1-CG1 4.22Å; F376-I424 HydrophobicContact CZ-CD1 4.15Å
377V98.4Very high96.5Very high0 Ų028.1 Ų28.10%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8123.7-173.1-1720000110I340 F354 I375 L388 M391 I402 H403 V404 F405I340-V377 HydrophobicContact CB-CG2 4.27Å; I340-V377 VanDerWaalsContact O-CA 3.3Å; I340-V377 WeakPolarHBondContact O-CA 3.45Å; F354-V377 HydrophobicContact CE2-CG1 3.53Å; F354-V377 HydrophobicContact CZ-CG1 3.8Å; I375-V377 HydrophobicContact CG2-CG2 4.01Å; V377-L388 HydrophobicContact CG1-CD2 4.01Å; V377-M391 HydrophobicContact CG2-CE 3.49Å; V377-M391 VanDerWaalsContact CG2-CE 3.49Å; V377-I402 HydrophobicContact CG2-CG2 3.79Å; V377-H403 PolarHBondContact N-O 3.24Å; V377-V404 HydrophobicContact CB-CG1 4.47Å; V377-V404 HydrophobicContact CB-CG2 4.37Å; V377-V404 HydrophobicContact CG2-CG2 4.36Å; V377-F405 WeakPolarHBondContact O-CB 3.48Å; V377-F405 WeakPolarHBondContact O-CD2 3.48Å; V377-F405 PolarHBondContact O-N 3.32Å
378R98.1Very high96.4Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-135.4120.2168.2-171.9-79.2-175.6170.25109.5I340 G341 G342 F405 G406 T409 M411 I414 E659I340-R378 PolarHBondContact O-N 3.22Å; I340-R378 VanDerWaalsContact O-N 3.14Å; G341-R378 CarbonylContact C-O 3.56Å; G341-R378 WeakPolarHBondContact CA-O 3.49Å; G342-R378 PolarHBondContact N-O 3.14Å; G342-R378 VanDerWaalsContact N-O 3.16Å; G342-R378 PolarHBondContact O-NH1 3.42Å; R378-F405 WeakPolarHBondContact CA-O 3.44Å; R378-F405 HydrophobicContact CB-CB 4.32Å; R378-F405 HydrophobicContact CG-CB 4.26Å; R378-G406 PolarHBondContact NE-O 3.4Å; R378-T409 PolarHBondContact NE-O 3.24Å; R378-T409 PolarHBondContact NH2-O 2.81Å; R378-M411 VanDerWaalsContact CZ-CA 3.49Å; R378-I414 HydrophobicContact CB-CD1 3.65Å; R378-I414 HydrophobicContact CB-CG1 4.14Å; R378-I414 HydrophobicContact CB-CG2 3.88Å; R378-E659 IonicContact CZ-OE1 2.63Å; R378-E659 IonicContact CZ-OE2 3.97Å; R378-E659 IonicContact NH1-OE1 2.78Å; R378-E659 IonicContact NH1-OE2 2.63Å; R378-E659 PolarHBondContact NH1-OE2 3.24Å; R378-E659 IonicContact NH2-OE1 3.07Å; R378-E659 PolarHBondContact NH2-OE1 3.41Å; R378-E659 IonicContact NH2-OE2 3.91Å; R378-E659 PolarHBondContact NH2-OE2 3.49Å
379R97.8Very high96.2Very high7 Ų732.8 Ų32.83%0.02615%0.152CC..  trans-154.3150.2179.5-161.662.4-178.7173.71.1113.7A280 G342 S343 V350 F354 L388 F405A280-R379 VanDerWaalsContact CB-NH1 3.27Å; A280-R379 PolarHBondContact O-NH1 3.28Å; G342-R379 VanDerWaalsContact C-NH1 3.31Å; S343-R379 PolarHBondContact O-NH1 3.16Å; V350-R379 HydrophobicContact CG1-CB 4.36Å; V350-R379 HydrophobicContact CG1-CG 3.72Å; V350-R379 HydrophobicContact CG2-CG 3.97Å; F354-R379 HydrophobicContact CE1-CB 4.43Å; F354-R379 HydrophobicContact CE1-CG 4.17Å; F354-R379 HydrophobicContact CE2-CB 4.07Å; F354-R379 HydrophobicContact CZ-CB 3.57Å; F354-R379 HydrophobicContact CZ-CG 3.78Å; R379-L388 HydrophobicContact CB-CD2 4.44Å; R379-F405 PolarHBondContact N-O 3.06Å
380G95.6Very high96Very high0 Ų028.6 Ų28.60%014%0.135CC..BIsolated β-bridgetrans-137.6174.2168.100000112.1A345 V350A345-G380 PolarHBondContact N-O 3.06Å; V350-G380 WeakPolarHBondContact CG2-O 3.49Å
381G95.8Very high95.9Very high5 Ų523.3 Ų23.35%0.05211%0.11CC..SBendtrans118.1-166.6177.800000113A345 N383 Y384A345-G381 VanDerWaalsContact O-CA 3.31Å; A345-G381 WeakPolarHBondContact O-CA 3.1Å; G381-N383 PolarHBondContact O-N 3.24Å; G381-Y384 WeakPolarHBondContact O-CB 3.49Å; G381-Y384 VanDerWaalsContact O-CD1 3.24Å; G381-Y384 WeakPolarHBondContact O-CD1 3.43Å; G381-Y384 PolarHBondContact O-N 2.93Å; G381-Y384 VanDerWaalsContact O-N 3.11Å
382P94.8Very high95.7Very high13 Ų1323.8 Ų23.88%0.08412%0.119CC..THydrogen-bonded Turntrans-52.1123.9-175.3-28.834.7000113.1A345 N346 T348 V350 Y384 M632A345-P382 WeakPolarHBondContact O-CD 3.24Å; N346-P382 WeakPolarHBondContact O-CG 3.41Å; T348-P382 WeakPolarHBondContact O-CD 3.47Å; V350-P382 WeakPolarHBondContact CB-O 3.46Å; V350-P382 PolarHBondContact N-O 2.8Å; P382-Y384 VanDerWaalsContact C-N 3.25Å; P382-Y384 PolarHBondContact O-N 2.98Å; P382-M632 HydrophobicContact CB-CG 4.19Å; P382-M632 HydrophobicContact CB-SD 3.7Å; P382-M632 HydrophobicContact CG-CG 4.28Å; P382-M632 HydrophobicContact CG-SD 4.41Å
383N94Very high95.5Very high20 Ų2021.2 Ų21.211%0.10711%0.107CC..THydrogen-bonded Turntrans57.528178.9-52.8-8000115.3A351 G381 Q385 E386 G387 W817A351-N383 HydrophobicContact CB-CB 3.81Å; G381-N383 PolarHBondContact O-N 3.24Å; N383-Q385 PolarHBondContact O-N 3.5Å; N383-E386 PolarHBondContact O-N 3.48Å; N383-G387 PolarHBondContact O-N 2.5Å; N383-W817 HydrophobicContact CB-CH2 3.82Å; N383-W817 HydrophobicContact CB-CZ3 3.62Å; N383-W817 WeakPolarHBondContact OD1-CZ3 3.45Å
384Y94.1Very high95.4Very high20 Ų2021.1 Ų21.18%0.07811%0.106CC..Hα-helixtrans-61.6-29.6-177.180.4-79.2000113.8G381 P382 E386 G387 L388 T407G381-Y384 WeakPolarHBondContact O-CB 3.49Å; G381-Y384 VanDerWaalsContact O-CD1 3.24Å; G381-Y384 WeakPolarHBondContact O-CD1 3.43Å; G381-Y384 PolarHBondContact O-N 2.93Å; G381-Y384 VanDerWaalsContact O-N 3.11Å; P382-Y384 VanDerWaalsContact C-N 3.25Å; P382-Y384 PolarHBondContact O-N 2.98Å; Y384-E386 PolarHBondContact O-N 3.05Å; Y384-G387 PolarHBondContact O-N 3.03Å; Y384-L388 HydrophobicContact CD2-CD1 3.59Å; Y384-L388 HydrophobicContact CD2-CG 4.31Å; Y384-L388 HydrophobicContact CE2-CD1 4.02Å; Y384-L388 WeakPolarHBondContact O-CB 3.46Å; Y384-L388 VanDerWaalsContact O-CG 3.29Å; Y384-L388 WeakPolarHBondContact O-CG 3.37Å; Y384-L388 PolarHBondContact O-N 3.46Å; Y384-T407 HydrophobicContact CE2-CG2 4.21Å
385Q90.9Very high95.3Very high43 Ų4319.7 Ų19.720%0.20110%0.099CC..Hα-helixtrans-59.6-46.6-179.9-55.785.9-16.300111N383 R389N383-Q385 PolarHBondContact O-N 3.5Å; Q385-R389 WeakPolarHBondContact O-CB 3.35Å; Q385-R389 PolarHBondContact O-N 3.26Å
386E89.6Confident95.1Very high25 Ų2528.4 Ų28.412%0.11714%0.137CC..Hα-helixtrans-68.1-41.2177.1176.358.1-168.200111.4A351 N383 Y384 L388 R389 V390A351-E386 HydrophobicContact CB-CB 4.05Å; A351-E386 HydrophobicContact CB-CG 4.04Å; N383-E386 PolarHBondContact O-N 3.48Å; Y384-E386 PolarHBondContact O-N 3.05Å; E386-L388 PolarHBondContact O-N 3.33Å; E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 3.42Å; E386-R389 IonicContact OE1-CZ 3.89Å; E386-R389 IonicContact OE1-NE 3.35Å; E386-R389 IonicContact OE1-NH2 3.91Å; E386-R389 PolarHBondContact OE1-NH2 3.02Å; E386-R389 IonicContact OE2-CZ 3.94Å; E386-R389 IonicContact OE2-NE 4Å; E386-R389 PolarHBondContact OE2-NE 3.22Å; E386-R389 IonicContact OE2-NH2 3.09Å; E386-R389 PolarHBondContact OE2-NH2 3.24Å; E386-V390 WeakPolarHBondContact O-CG2 3.23Å; E386-V390 PolarHBondContact O-N 3.23Å; E386-V390 WeakPolarHBondContact OE1-CG1 3.28Å
387G94Very high95Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-56.8-50.2174.600000112.6F354 N383 Y384 R389 V390 M391F354-G387 WeakPolarHBondContact CD2-O 2.95Å; N383-G387 PolarHBondContact O-N 2.5Å; Y384-G387 PolarHBondContact O-N 3.03Å; G387-R389 VanDerWaalsContact C-N 3.33Å; G387-R389 PolarHBondContact O-N 2.81Å; G387-V390 WeakPolarHBondContact O-CG2 3.47Å; G387-V390 PolarHBondContact O-N 3.47Å; G387-M391 WeakPolarHBondContact O-CG 3.47Å; G387-M391 PolarHBondContact O-N 2.84Å; G387-M391 VanDerWaalsContact O-N 3.11Å
388L94.8Very high94.9Very high23 Ų2332.6 Ų32.612%0.1216%0.163CC..Hα-helixtrans-64.5-37.6178.1-65.4179.7000111.8F354 V377 R379 Y384 E386 M391 G392 V404F354-L388 HydrophobicContact CE2-CD2 3.94Å; V377-L388 HydrophobicContact CG1-CD2 4.01Å; R379-L388 HydrophobicContact CB-CD2 4.44Å; Y384-L388 HydrophobicContact CD2-CD1 3.59Å; Y384-L388 HydrophobicContact CD2-CG 4.31Å; Y384-L388 HydrophobicContact CE2-CD1 4.02Å; Y384-L388 WeakPolarHBondContact O-CB 3.46Å; Y384-L388 VanDerWaalsContact O-CG 3.29Å; Y384-L388 WeakPolarHBondContact O-CG 3.37Å; Y384-L388 PolarHBondContact O-N 3.46Å; E386-L388 PolarHBondContact O-N 3.33Å; L388-M391 PolarHBondContact O-N 3.01Å; L388-G392 PolarHBondContact O-N 2.82Å; L388-V404 HydrophobicContact CB-CG1 3.65Å; L388-V404 HydrophobicContact CD1-CG1 4.48Å; L388-V404 HydrophobicContact CD2-CG1 3.44Å; L388-V404 VanDerWaalsContact CD2-CG1 3.44Å; L388-V404 HydrophobicContact CG-CG1 4Å
389R94.5Very high94.7Very high124 Ų12435.3 Ų35.347%0.46819%0.191SC..Hα-helixtrans-58.7-50.5176.1-168.1-165.167.969.73111.4Q385 E386 G387 M391 G392 E393Q385-R389 WeakPolarHBondContact O-CB 3.35Å; Q385-R389 PolarHBondContact O-N 3.26Å; E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 3.42Å; E386-R389 IonicContact OE1-CZ 3.89Å; E386-R389 IonicContact OE1-NE 3.35Å; E386-R389 IonicContact OE1-NH2 3.91Å; E386-R389 PolarHBondContact OE1-NH2 3.02Å; E386-R389 IonicContact OE2-CZ 3.94Å; E386-R389 IonicContact OE2-NE 4Å; E386-R389 PolarHBondContact OE2-NE 3.22Å; E386-R389 IonicContact OE2-NH2 3.09Å; E386-R389 PolarHBondContact OE2-NH2 3.24Å; G387-R389 VanDerWaalsContact C-N 3.33Å; G387-R389 PolarHBondContact O-N 2.81Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.15Å; R389-G392 PolarHBondContact O-N 3.01Å; R389-E393 IonicContact CZ-OE2 2.74Å; R389-E393 IonicContact NH1-OE2 2.91Å; R389-E393 PolarHBondContact NH1-OE2 3.4Å; R389-E393 IonicContact NH2-OE2 3.56Å; R389-E393 PolarHBondContact O-N 3.18Å
390V94.2Very high94.7Very high16 Ų1635.2 Ų35.210%0.09719%0.191CC..Hα-helixtrans-68-30.8-179.8-62.70000112.9F354 V358 E386 G387 E393 V394F354-V390 HydrophobicContact CB-CG2 4.5Å; V358-V390 HydrophobicContact CG2-CB 4.24Å; V358-V390 HydrophobicContact CG2-CG2 3.93Å; E386-V390 WeakPolarHBondContact O-CG2 3.23Å; E386-V390 PolarHBondContact O-N 3.23Å; E386-V390 WeakPolarHBondContact OE1-CG1 3.28Å; G387-V390 WeakPolarHBondContact O-CG2 3.47Å; G387-V390 PolarHBondContact O-N 3.47Å; V390-E393 PolarHBondContact O-N 3.29Å; V390-V394 PolarHBondContact O-N 3.06Å
391M96.9Very high94.8Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-66.4-41.1172.3-76-62.9-67.600112.2I340 F354 I357 V358 I361 V377 G387 L388 R389 V394 G395 I402 V404I340-M391 HydrophobicContact CD1-CE 3.72Å; F354-M391 HydrophobicContact CB-CG 4.24Å; F354-M391 HydrophobicContact CD2-CB 4.5Å; F354-M391 HydrophobicContact CD2-CG 3.36Å; F354-M391 HydrophobicContact CD2-SD 4.41Å; F354-M391 HydrophobicContact CE2-CG 3.9Å; F354-M391 HydrophobicContact CG-CG 4.06Å; I357-M391 HydrophobicContact CG2-CE 4.24Å; I357-M391 HydrophobicContact CG2-SD 4.01Å; V358-M391 HydrophobicContact CG2-CG 4.22Å; V358-M391 HydrophobicContact CG2-SD 3.52Å; V358-M391 VanDerWaalsContact CG2-SD 3.52Å; I361-M391 HydrophobicContact CD1-CE 3.86Å; I361-M391 HydrophobicContact CD1-SD 4.25Å; V377-M391 HydrophobicContact CG2-CE 3.49Å; V377-M391 VanDerWaalsContact CG2-CE 3.49Å; G387-M391 WeakPolarHBondContact O-CG 3.47Å; G387-M391 PolarHBondContact O-N 2.84Å; G387-M391 VanDerWaalsContact O-N 3.11Å; L388-M391 PolarHBondContact O-N 3.01Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.15Å; M391-V394 VanDerWaalsContact O-CG1 3.28Å; M391-V394 WeakPolarHBondContact O-CG1 3.4Å; M391-G395 PolarHBondContact O-N 3.46Å; M391-I402 HydrophobicContact CE-CG2 4.35Å; M391-V404 HydrophobicContact CB-CG2 4.17Å
392G94Very high94.9Very high24 Ų2439.1 Ų39.125%0.24721%0.214CC..Hα-helixtrans-67.1-37.3174.500000112.5L388 R389 K396L388-G392 PolarHBondContact O-N 2.82Å; R389-G392 PolarHBondContact O-N 3.01Å; G392-K396 PolarHBondContact O-N 3.31Å
393E94.4Very high95Very high77 Ų7741.1 Ų41.136%0.3622%0.222SC..Hα-helixtrans-64.3-46.8177.2-168.8-180156.600111.8R389 V390 G395 K396 T397R389-E393 IonicContact CZ-OE2 2.74Å; R389-E393 IonicContact NH1-OE2 2.91Å; R389-E393 PolarHBondContact NH1-OE2 3.4Å; R389-E393 IonicContact NH2-OE2 3.56Å; R389-E393 PolarHBondContact O-N 3.18Å; V390-E393 PolarHBondContact O-N 3.29Å; E393-G395 VanDerWaalsContact C-N 3.29Å; E393-G395 PolarHBondContact O-N 3.28Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.12Å; E393-T397 HydrophobicContact CG-CG2 4.31Å; E393-T397 WeakPolarHBondContact O-CG2 3.17Å; E393-T397 PolarHBondContact O-N 2.89Å; E393-T397 PolarHBondContact O-OG1 2.76Å
394V96.8Very high95.1Very high0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-63.7-34.8-179.971.70000112.5V358 I361 R362 V390 M391 K396 T397 T398 I402V358-V394 HydrophobicContact CG1-CB 3.9Å; V358-V394 HydrophobicContact CG1-CG1 4.26Å; V358-V394 HydrophobicContact CG1-CG2 4.09Å; V358-V394 HydrophobicContact CG2-CB 4.43Å; V358-V394 HydrophobicContact CG2-CG1 3.95Å; I361-V394 HydrophobicContact CB-CG2 4.44Å; I361-V394 HydrophobicContact CG2-CG1 4.43Å; I361-V394 HydrophobicContact CG2-CG2 3.93Å; R362-V394 HydrophobicContact CG-CG2 3.7Å; V390-V394 PolarHBondContact O-N 3.06Å; M391-V394 VanDerWaalsContact O-CG1 3.28Å; M391-V394 WeakPolarHBondContact O-CG1 3.4Å; V394-K396 VanDerWaalsContact C-N 3.35Å; V394-K396 PolarHBondContact O-N 2.87Å; V394-T397 WeakPolarHBondContact CA-OG1 3.25Å; V394-T397 PolarHBondContact O-N 3.47Å; V394-T397 PolarHBondContact O-OG1 2.89Å; V394-T398 HydrophobicContact CG2-CG2 3.76Å; V394-T398 VanDerWaalsContact O-CB 3.31Å; V394-T398 WeakPolarHBondContact O-CB 3.47Å; V394-T398 VanDerWaalsContact O-CG2 3.31Å; V394-T398 WeakPolarHBondContact O-CG2 3.44Å; V394-T398 PolarHBondContact O-N 3Å; V394-T398 PolarHBondContact O-OG1 3.4Å; V394-I402 HydrophobicContact CG1-CD1 3.78Å
395G94.6Very high95.2Very high8 Ų841.3 Ų41.38%0.08223%0.226CC..Hα-helixtrans-60-44.7173.600000111.9M391 E393 G399 I400M391-G395 PolarHBondContact O-N 3.46Å; E393-G395 VanDerWaalsContact C-N 3.29Å; E393-G395 PolarHBondContact O-N 3.28Å; G395-G399 WeakPolarHBondContact O-CA 3.39Å; G395-G399 PolarHBondContact O-N 2.89Å; G395-I400 WeakPolarHBondContact CA-O 3.4Å; G395-I400 PolarHBondContact O-N 2.87Å
396K94.9Very high95.3Very high183 Ų18339.5 Ų39.580%0.79622%0.218SC*.Hα-helixtrans-67-46.5177-66.8176.2-177179.60112.8G392 E393 V394G392-K396 PolarHBondContact O-N 3.31Å; E393-K396 PolarHBondContact O-N 3.18Å; E393-K396 VanDerWaalsContact O-N 3.12Å; V394-K396 VanDerWaalsContact C-N 3.35Å; V394-K396 PolarHBondContact O-N 2.87Å
397T96.3Very high95.5Very high90 Ų9039.3 Ų39.355%0.55222%0.219SC*.Hα-helixtrans-72-32.5-175.558.60000112.6E393 V394E393-T397 HydrophobicContact CG-CG2 4.31Å; E393-T397 WeakPolarHBondContact O-CG2 3.17Å; E393-T397 PolarHBondContact O-N 2.89Å; E393-T397 PolarHBondContact O-OG1 2.76Å; V394-T397 WeakPolarHBondContact CA-OG1 3.25Å; V394-T397 PolarHBondContact O-N 3.47Å; V394-T397 PolarHBondContact O-OG1 2.89Å
398T96.2Very high95.3Very high7 Ų741.5 Ų41.54%0.04323%0.229CC..Hα-helixtrans-87.5-30.7177.662.80000111.6Q365 K369 V394 I400Q365-T398 HydrophobicContact CB-CG2 4.01Å; K369-T398 WeakPolarHBondContact CE-O 3.33Å; K369-T398 PolarHBondContact NZ-O 3.26Å; V394-T398 HydrophobicContact CG2-CG2 3.76Å; V394-T398 VanDerWaalsContact O-CB 3.31Å; V394-T398 WeakPolarHBondContact O-CB 3.47Å; V394-T398 VanDerWaalsContact O-CG2 3.31Å; V394-T398 WeakPolarHBondContact O-CG2 3.44Å; V394-T398 PolarHBondContact O-N 3Å; V394-T398 PolarHBondContact O-OG1 3.4Å; T398-I400 PolarHBondContact OG1-N 3.48Å
399G95.6Very high95.2Very high57 Ų5741.1 Ų41.159%0.58823%0.227SC*.  trans84.78.9-171.800000114G395G395-G399 WeakPolarHBondContact O-CA 3.39Å; G395-G399 PolarHBondContact O-N 2.89Å
400I97.6Very high95.2Very high5 Ų538.1 Ų38.13%0.02622%0.219CC..  trans-77134.4171.4-63167.7000108.3I361 Q365 L368 K369 I375 G395 T398 I402I361-I400 HydrophobicContact CG2-CD1 4.04Å; Q365-I400 HydrophobicContact CB-CD1 4.25Å; L368-I400 HydrophobicContact CB-CD1 3.78Å; L368-I400 HydrophobicContact CB-CG1 4.49Å; L368-I400 HydrophobicContact CD1-CD1 3.82Å; L368-I400 HydrophobicContact CG-CD1 4.47Å; K369-I400 HydrophobicContact CG-CG1 4Å; I375-I400 HydrophobicContact CD1-CG2 3.96Å; I375-I400 HydrophobicContact CG1-CG2 4.16Å; G395-I400 WeakPolarHBondContact CA-O 3.4Å; G395-I400 PolarHBondContact O-N 2.87Å; T398-I400 PolarHBondContact OG1-N 3.48Å; I400-I402 HydrophobicContact CB-CG1 4.44Å; I400-I402 HydrophobicContact CG2-CG1 4.12Å; I400-I402 PolarHBondContact O-N 3.41Å; I400-I402 VanDerWaalsContact O-N 3.1Å
401P97.3Very high95.3Very high62 Ų6237.4 Ų37.440%0.40321%0.214SC..  trans-70.6108.4177.526.1-30000110.6T374 I375T374-P401 HydrophobicContact CG2-CB 4.18Å; T374-P401 HydrophobicContact CG2-CG 4.15Å; I375-P401 PolarHBondContact N-O 2.77Å
402I97.8Very high95.3Very high25 Ų2537.4 Ų37.413%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-120.8118.5178.3-50.1-170.2000109.7I361 I375 V377 M391 V394 I400 V404I361-I402 HydrophobicContact CD1-CD1 4.47Å; I375-I402 HydrophobicContact CB-CB 4.38Å; I375-I402 HydrophobicContact CB-CG1 4.04Å; I375-I402 HydrophobicContact CB-CG2 4.17Å; I375-I402 HydrophobicContact CD1-CD1 4.02Å; I375-I402 HydrophobicContact CD1-CG1 4.11Å; I375-I402 HydrophobicContact CG1-CG1 4.35Å; I375-I402 HydrophobicContact CG2-CG2 4.17Å; I375-I402 CarbonylContact O-C 3.59Å; I375-I402 WeakPolarHBondContact O-CA 3.46Å; V377-I402 HydrophobicContact CG2-CG2 3.79Å; M391-I402 HydrophobicContact CE-CG2 4.35Å; V394-I402 HydrophobicContact CG1-CD1 3.78Å; I400-I402 HydrophobicContact CB-CG1 4.44Å; I400-I402 HydrophobicContact CG2-CG1 4.12Å; I400-I402 PolarHBondContact O-N 3.41Å; I400-I402 VanDerWaalsContact O-N 3.1Å; I402-V404 HydrophobicContact CG2-CG2 3.83Å
403H97.1Very high95.4Very high55 Ų5536.7 Ų36.726%0.25521%0.206SC..EExtended strand (participates in β ladder)trans-102.6120.4177.1-57.1-74000110.3I375 F376 V377 F405I375-H403 PolarHBondContact O-N 2.93Å; F376-H403 HydrophobicContact CD1-CB 3.94Å; F376-H403 HydrophobicContact CE1-CB 4.14Å; F376-H403 AromaticContact CE1-CD2 3.63Å; F376-H403 AromaticContact CZ-CD2 3.71Å; V377-H403 PolarHBondContact N-O 3.24Å; H403-F405 HydrophobicContact CB-CE2 3.72Å; H403-F405 HydrophobicContact CB-CZ 4.11Å
404V96.2Very high95.5Very high36 Ų3633 Ų3322%0.21819%0.189CC..EExtended strand (participates in β ladder)trans-117.7127.5-168.3-174.30000111.7V377 L388 M391 I402V377-V404 HydrophobicContact CB-CG1 4.47Å; V377-V404 HydrophobicContact CB-CG2 4.37Å; V377-V404 HydrophobicContact CG2-CG2 4.36Å; L388-V404 HydrophobicContact CB-CG1 3.65Å; L388-V404 HydrophobicContact CD1-CG1 4.48Å; L388-V404 HydrophobicContact CD2-CG1 3.44Å; L388-V404 VanDerWaalsContact CD2-CG1 3.44Å; L388-V404 HydrophobicContact CG-CG1 4Å; M391-V404 HydrophobicContact CB-CG2 4.17Å; I402-V404 HydrophobicContact CG2-CG2 3.83Å
405F95.9Very high95.6Very high8 Ų833 Ų334%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-132.7145.1-175.6-55-81.8000112.2F376 V377 R378 R379 H403 T409 I414 M417 I424 P425F376-F405 HydrophobicContact CD1-CE2 4.4Å; V377-F405 WeakPolarHBondContact O-CB 3.48Å; V377-F405 WeakPolarHBondContact O-CD2 3.48Å; V377-F405 PolarHBondContact O-N 3.32Å; R378-F405 WeakPolarHBondContact CA-O 3.44Å; R378-F405 HydrophobicContact CB-CB 4.32Å; R378-F405 HydrophobicContact CG-CB 4.26Å; R379-F405 PolarHBondContact N-O 3.06Å; H403-F405 HydrophobicContact CB-CE2 3.72Å; H403-F405 HydrophobicContact CB-CZ 4.11Å; F405-T409 HydrophobicContact CB-CG2 4.09Å; F405-T409 HydrophobicContact CD1-CG2 4.28Å; F405-T409 HydrophobicContact CG-CG2 4.27Å; F405-I414 HydrophobicContact CB-CG2 4.46Å; F405-I414 HydrophobicContact CD2-CG2 3.34Å; F405-I414 HydrophobicContact CE2-CG2 3.74Å; F405-I414 HydrophobicContact CG-CG2 4.05Å; F405-M417 HydrophobicContact CE1-CE 4.36Å; F405-M417 HydrophobicContact CE1-SD 4.03Å; F405-M417 HydrophobicContact CE2-SD 3.85Å; F405-M417 HydrophobicContact CZ-CE 4.4Å; F405-M417 HydrophobicContact CZ-SD 3.49Å; F405-M417 WeakPolarHBondContact CZ-SD 3.32Å; F405-I424 HydrophobicContact CZ-CG2 4.24Å; F405-P425 HydrophobicContact CE1-CG 3.76Å
406G93.6Very high95.6Very high4 Ų432.8 Ų32.84%0.04119%0.187CC..  trans-101.6-153.2179.800000114.4R378 E408 T409R378-G406 PolarHBondContact NE-O 3.4Å; G406-E408 VanDerWaalsContact C-N 3.33Å; G406-E408 VanDerWaalsContact C-OE2 3.24Å; G406-E408 VanDerWaalsContact CA-OE1 3.29Å; G406-E408 WeakPolarHBondContact CA-OE1 3.47Å; G406-E408 VanDerWaalsContact CA-OE2 3.31Å; G406-E408 WeakPolarHBondContact CA-OE2 3.48Å; G406-E408 PolarHBondContact N-OE1 3.23Å; G406-T409 PolarHBondContact O-N 3.07Å
407T93.3Very high95.7Very high22 Ų2225.2 Ų25.214%0.13515%0.154CC..THydrogen-bonded Turntrans-77.8-17.8-175.255.80000113.6I344 Y384 T409I344-T407 HydrophobicContact CD1-CG2 3.95Å; I344-T407 HydrophobicContact CG1-CG2 3.96Å; Y384-T407 HydrophobicContact CE2-CG2 4.21Å; T407-T409 PolarHBondContact O-N 2.73Å
408E90.1Very high95.7Very high46 Ų4621.5 Ų21.522%0.21513%0.133CC..THydrogen-bonded Turntrans-67.2-26.6171.671.6-71154.300112.9G406 P429G406-E408 VanDerWaalsContact C-N 3.33Å; G406-E408 VanDerWaalsContact C-OE2 3.24Å; G406-E408 VanDerWaalsContact CA-OE1 3.29Å; G406-E408 WeakPolarHBondContact CA-OE1 3.47Å; G406-E408 VanDerWaalsContact CA-OE2 3.31Å; G406-E408 WeakPolarHBondContact CA-OE2 3.48Å; G406-E408 PolarHBondContact N-OE1 3.23Å; E408-P429 HydrophobicContact CB-CB 4.2Å; E408-P429 HydrophobicContact CB-CG 4.46Å; E408-P429 HydrophobicContact CG-CB 3.83Å; E408-P429 HydrophobicContact CG-CG 3.87Å; E408-P429 VanDerWaalsContact CG-O 3.26Å; E408-P429 WeakPolarHBondContact CG-O 3.29Å
409T93.2Very high95.7Very high14 Ų1422.9 Ų22.99%0.08614%0.14CC..SBendtrans-89.6131.9-178.9-59.10000109.1R378 F405 G406 T407 A413 M417R378-T409 PolarHBondContact NE-O 3.24Å; R378-T409 PolarHBondContact NH2-O 2.81Å; F405-T409 HydrophobicContact CB-CG2 4.09Å; F405-T409 HydrophobicContact CD1-CG2 4.28Å; F405-T409 HydrophobicContact CG-CG2 4.27Å; G406-T409 PolarHBondContact O-N 3.07Å; T407-T409 PolarHBondContact O-N 2.73Å; T409-A413 HydrophobicContact CG2-CB 3.99Å; T409-M417 HydrophobicContact CG2-CE 4.42Å
410H93.9Very high95.5Very high62 Ų6223.3 Ų23.329%0.28714%0.144SC..  trans-57.1140.8176.2-168.6-92.7000110.5T412 A413H410-T412 PolarHBondContact CE1-OG1 3.44Å; H410-T412 PolarHBondContact ND1-OG1 3.23Å; H410-T412 PolarHBondContact O-N 2.96Å; H410-A413 HydrophobicContact CB-CB 4.22Å; H410-A413 WeakPolarHBondContact O-CB 3.47Å; H410-A413 PolarHBondContact O-N 3.22Å; H410-A413 VanDerWaalsContact O-N 3.09Å
411M95.9Very high95.2Very high0 Ų028.5 Ų28.50%017%0.168CC..THydrogen-bonded Turntrans-49.4-54.2-169-173.1178.775.100113.1A284 V287 Y288 R378 M656 E659 F780A284-M411 HydrophobicContact CB-SD 4.18Å; V287-M411 HydrophobicContact CB-CE 3.68Å; V287-M411 HydrophobicContact CG1-CE 3.31Å; V287-M411 HydrophobicContact CG2-CE 4.33Å; Y288-M411 HydrophobicContact CE2-CE 4.38Å; Y288-M411 HydrophobicContact CE2-CG 3.63Å; Y288-M411 HydrophobicContact CE2-SD 4.14Å; Y288-M411 VanDerWaalsContact CZ-O 3.24Å; Y288-M411 PolarHBondContact OH-O 3.14Å; R378-M411 VanDerWaalsContact CZ-CA 3.49Å; M411-M656 HydrophobicContact CE-CE 3.65Å; M411-M656 HydrophobicContact CE-SD 3.95Å; M411-M656 HydrophobicContact SD-CE 4.05Å; M411-M656 HydrophobicContact SD-SD 3.9Å; M411-E659 HydrophobicContact SD-CG 4.31Å; M411-F780 HydrophobicContact CE-CD1 4.26Å; M411-F780 HydrophobicContact CE-CE1 3.85Å; M411-F780 HydrophobicContact CE-CZ 4.46Å
412T96.4Very high95Very high0 Ų031.3 Ų31.30%017%0.17CC..THydrogen-bonded Turntrans-85.2-3.4-174.546.80000114.2V287 T291 H410 I414 V415 F780 D781V287-T412 HydrophobicContact CG1-CG2 3.59Å; T291-T412 VanDerWaalsContact OG1-CG2 3.26Å; T291-T412 WeakPolarHBondContact OG1-CG2 3.48Å; H410-T412 PolarHBondContact CE1-OG1 3.44Å; H410-T412 PolarHBondContact ND1-OG1 3.23Å; H410-T412 PolarHBondContact O-N 2.96Å; T412-I414 PolarHBondContact O-N 2.97Å; T412-I414 VanDerWaalsContact O-N 3.16Å; T412-V415 WeakPolarHBondContact O-CB 3.47Å; T412-V415 WeakPolarHBondContact O-CG2 3.31Å; T412-V415 PolarHBondContact O-N 2.95Å; T412-F780 HydrophobicContact CG2-CD1 4.5Å; T412-D781 VanDerWaalsContact CB-OD1 3.25Å; T412-D781 WeakPolarHBondContact CB-OD1 3.38Å; T412-D781 VanDerWaalsContact OG1-CG 3.24Å; T412-D781 PolarHBondContact OG1-OD1 2.67Å
413A96.3Very high94.7Very high10 Ų1035.5 Ų35.58%0.08320%0.2CC..Hα-helixtrans-59.9-33.4-175.500000112.7T409 H410 V415 G416 M417T409-A413 HydrophobicContact CG2-CB 3.99Å; H410-A413 HydrophobicContact CB-CB 4.22Å; H410-A413 WeakPolarHBondContact O-CB 3.47Å; H410-A413 PolarHBondContact O-N 3.22Å; H410-A413 VanDerWaalsContact O-N 3.09Å; A413-V415 PolarHBondContact O-N 3.31Å; A413-G416 PolarHBondContact O-N 2.83Å; A413-M417 HydrophobicContact CB-CE 4.08Å; A413-M417 WeakPolarHBondContact O-CG 3.23Å; A413-M417 PolarHBondContact O-N 3.45Å; A413-M417 VanDerWaalsContact O-N 3.13Å
414I97.4Very high94.5Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-65.3-20.5178.262.4165.3000113.5Y288 I339 F376 R378 F405 T412 M417 A418Y288-I414 HydrophobicContact CE1-CD1 3.87Å; Y288-I414 HydrophobicContact CE1-CG1 3.78Å; I339-I414 HydrophobicContact CG2-CD1 3.76Å; I339-I414 HydrophobicContact CG2-CG1 4.35Å; F376-I414 HydrophobicContact CB-CB 4.21Å; F376-I414 HydrophobicContact CB-CD1 4.31Å; R378-I414 HydrophobicContact CB-CD1 3.65Å; R378-I414 HydrophobicContact CB-CG1 4.14Å; R378-I414 HydrophobicContact CB-CG2 3.88Å; F405-I414 HydrophobicContact CB-CG2 4.46Å; F405-I414 HydrophobicContact CD2-CG2 3.34Å; F405-I414 HydrophobicContact CE2-CG2 3.74Å; F405-I414 HydrophobicContact CG-CG2 4.05Å; T412-I414 PolarHBondContact O-N 2.97Å; T412-I414 VanDerWaalsContact O-N 3.16Å; I414-M417 HydrophobicContact CG2-SD 4.26Å; I414-A418 WeakPolarHBondContact O-CB 3.41Å; I414-A418 PolarHBondContact O-N 3.12Å
415V97.8Very high94Very high0 Ų036.6 Ų36.60%021%0.208CC..Hα-helixtrans-68.4-49173.2-1750000109.7Y288 T291 I292 L295 I339 T412 A413 M417 A418 L419Y288-V415 HydrophobicContact CD1-CG2 3.52Å; Y288-V415 HydrophobicContact CE1-CG2 4.03Å; T291-V415 HydrophobicContact CG2-CB 3.86Å; T291-V415 HydrophobicContact CG2-CG1 3.94Å; T291-V415 HydrophobicContact CG2-CG2 4.2Å; I292-V415 HydrophobicContact CB-CG1 4.34Å; I292-V415 HydrophobicContact CG1-CG1 3.53Å; I292-V415 HydrophobicContact CG1-CG2 4.37Å; L295-V415 HydrophobicContact CD1-CG1 4.01Å; I339-V415 HydrophobicContact CD1-CG2 4.27Å; T412-V415 WeakPolarHBondContact O-CB 3.47Å; T412-V415 WeakPolarHBondContact O-CG2 3.31Å; T412-V415 PolarHBondContact O-N 2.95Å; A413-V415 PolarHBondContact O-N 3.31Å; V415-M417 VanDerWaalsContact C-N 3.27Å; V415-M417 PolarHBondContact O-N 2.71Å; V415-A418 PolarHBondContact O-N 3.33Å; V415-L419 HydrophobicContact CG1-CD1 3.89Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.26Å; V415-L419 PolarHBondContact O-N 2.84Å
416G95.7Very high92.5Very high3 Ų344.4 Ų44.43%0.03125%0.25CC..Hα-helixtrans-61.4-35.9175.800000112.7A413 G420 H421 R422A413-G416 PolarHBondContact O-N 2.83Å; G416-G420 PolarHBondContact O-N 3.22Å; G416-H421 PolarHBondContact O-N 2.81Å; G416-R422 PolarHBondContact O-N 2.75Å
417M96.8Very high90.9Very high23 Ų2352 Ų5211%0.11329%0.285CS..Hα-helixtrans-65.6-46174.1-63.6171.6-167.700111.9F376 F405 T409 A413 I414 V415 L419 G420 R422 I424 P425F376-M417 HydrophobicContact CD1-CB 4.24Å; F376-M417 HydrophobicContact CE1-CB 3.89Å; F405-M417 HydrophobicContact CE1-CE 4.36Å; F405-M417 HydrophobicContact CE1-SD 4.03Å; F405-M417 HydrophobicContact CE2-SD 3.85Å; F405-M417 HydrophobicContact CZ-CE 4.4Å; F405-M417 HydrophobicContact CZ-SD 3.49Å; F405-M417 WeakPolarHBondContact CZ-SD 3.32Å; T409-M417 HydrophobicContact CG2-CE 4.42Å; A413-M417 HydrophobicContact CB-CE 4.08Å; A413-M417 WeakPolarHBondContact O-CG 3.23Å; A413-M417 PolarHBondContact O-N 3.45Å; A413-M417 VanDerWaalsContact O-N 3.13Å; I414-M417 HydrophobicContact CG2-SD 4.26Å; V415-M417 VanDerWaalsContact C-N 3.27Å; V415-M417 PolarHBondContact O-N 2.71Å; M417-L419 VanDerWaalsContact C-N 3.33Å; M417-L419 PolarHBondContact O-N 3.22Å; M417-G420 PolarHBondContact O-N 2.6Å; M417-R422 WeakPolarHBondContact CA-O 3.34Å; M417-I424 HydrophobicContact CB-CG1 4.25Å; M417-P425 HydrophobicContact CE-CG 4.3Å
418A95.9Very high89Confident13 Ų1354.1 Ų54.111%0.10730%0.298CS..Hα-helixtrans-69.8-30.1-176.700000113.8V337 F376 I414 V415V337-A418 HydrophobicContact CG1-CB 3.64Å; F376-A418 HydrophobicContact CD1-CB 4.27Å; F376-A418 HydrophobicContact CD2-CB 3.47Å; F376-A418 VanDerWaalsContact CD2-CB 3.47Å; F376-A418 HydrophobicContact CE1-CB 4.32Å; F376-A418 HydrophobicContact CE2-CB 3.51Å; F376-A418 HydrophobicContact CG-CB 3.87Å; F376-A418 HydrophobicContact CZ-CB 3.96Å; I414-A418 WeakPolarHBondContact O-CB 3.41Å; I414-A418 PolarHBondContact O-N 3.12Å; V415-A418 PolarHBondContact O-N 3.33Å
419L95.1Very high87.2Confident36 Ų3655.7 Ų55.719%0.18831%0.313CS..THydrogen-bonded Turntrans-933.4178.2-58.3-177000113.2I275 L295 V415 M417 H421I275-L419 HydrophobicContact CD1-CD2 3.56Å; I275-L419 HydrophobicContact CG1-CD2 3.99Å; L295-L419 HydrophobicContact CB-CD1 3.88Å; L295-L419 HydrophobicContact CD1-CD1 4.27Å; V415-L419 HydrophobicContact CG1-CD1 3.89Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.26Å; V415-L419 PolarHBondContact O-N 2.84Å; M417-L419 VanDerWaalsContact C-N 3.33Å; M417-L419 PolarHBondContact O-N 3.22Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 2.9Å
420G92.8Very high85.1Confident65 Ų6561.7 Ų61.767%0.6735%0.349SS*.THydrogen-bonded Turntrans7710.7176.300000115.5G416 M417G416-G420 PolarHBondContact O-N 3.22Å; M417-G420 PolarHBondContact O-N 2.6Å
421H91.8Very high83.1Confident114 Ų11460.6 Ų60.653%0.52835%0.351SS..SBendtrans-82.5-18.8177.3-69.1-70.3000113.3L295 G416 L419L295-H421 PolarHBondContact O-NE2 2.79Å; G416-H421 PolarHBondContact O-N 2.81Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 2.9Å
422R91.8Very high80.4Confident121 Ų12163.7 Ų63.746%0.45738%0.376SS..SBendtrans-138.2143.7177.2-65.4-176.7-175.71575.7110.4G416 M417 D781G416-R422 PolarHBondContact O-N 2.75Å; M417-R422 WeakPolarHBondContact CA-O 3.34Å; R422-D781 IonicContact NH1-OD2 3.38Å; R422-D781 IonicContact NH2-OD2 3.51Å
423P92Very high78Confident114 Ų11469.9 Ų69.974%0.7441%0.405SS*.PPolyproline II helixtrans-69148.6177.829-34.4000111.5
424I92.6Very high75.5Confident64 Ų6471.4 Ų71.433%0.32841%0.413SS..PPolyproline II helixtrans-72.7122.7168.5-59.5173.2000107.3F376 F405 M417 N426F376-I424 HydrophobicContact CE1-CD1 3.93Å; F376-I424 HydrophobicContact CE1-CG1 4.22Å; F376-I424 HydrophobicContact CZ-CD1 4.15Å; F405-I424 HydrophobicContact CZ-CG2 4.24Å; M417-I424 HydrophobicContact CB-CG1 4.25Å; I424-N426 PolarHBondContact O-N 3.34Å
425P85.6Confident72.4Confident50 Ų5074.1 Ų74.133%0.32544%0.435SS..PPolyproline II helixtrans-67.3134.5-178.227.2-33.5000110.8F405 M417 Q427F405-P425 HydrophobicContact CE1-CG 3.76Å; M417-P425 HydrophobicContact CE-CG 4.3Å; P425-Q427 PolarHBondContact O-N 2.9Å
426N65.1Low69.4Low171 Ų17179.1 Ų79.191%0.91446%0.462SS*.SBendtrans-62.4-24.2-177.6-74.3-16.7000113.6I424I424-N426 PolarHBondContact O-N 3.34Å
427Q58.8Low66.8Low165 Ų16583.6 Ų83.677%0.77148%0.481SS*.SBendtrans-140.2128.9168.8-71.8-175.7-5.400109.2P425P425-Q427 PolarHBondContact O-N 2.9Å
428P55.3Low64.1Low65 Ų6585.5 Ų85.542%0.42249%0.491SS..PPolyproline II helixtrans-64.5137.316925.4-29.4000108.9V430P428-V430 PolarHBondContact O-N 3.05Å
429P51Low61.3Low79 Ų7989.6 Ų89.651%0.51351%0.511SS..PPolyproline II helixtrans-56.5126.9175.4-15.524.4000109.8E408 A431E408-P429 HydrophobicContact CB-CB 4.2Å; E408-P429 HydrophobicContact CB-CG 4.46Å; E408-P429 HydrophobicContact CG-CB 3.83Å; E408-P429 HydrophobicContact CG-CG 3.87Å; E408-P429 VanDerWaalsContact CG-O 3.26Å; E408-P429 WeakPolarHBondContact CG-O 3.29Å; P429-A431 PolarHBondContact O-N 3.48Å
430V49.8Very low58.2Low140 Ų14094.4 Ų94.485%0.84854%0.537SS*.PPolyproline II helixtrans-75.7125177.4-174.80000108.3P428 A432P428-V430 PolarHBondContact O-N 3.05Å; V430-A432 PolarHBondContact O-N 2.98Å; V430-A432 VanDerWaalsContact O-N 3.14Å
431A51.7Low55.3Low39 Ų3996.7 Ų96.732%0.32254%0.543SS..  trans-61.9115.2176.500000110.6P429 H433P429-A431 PolarHBondContact O-N 3.48Å; A431-H433 PolarHBondContact O-N 2.72Å
432A38.9Very low52.5Low65 Ų6595.9 Ų95.954%0.53755%0.55SS..SBendtrans-70.5-10.6-175.500000114.9V430V430-A432 PolarHBondContact O-N 2.98Å; V430-A432 VanDerWaalsContact O-N 3.14Å
433H46.5Very low49.7Very low130 Ų13095.5 Ų95.560%0.60257%0.566SS**SBendtrans-102.3-27-159.7-63.9-63.4000115.9A431A431-H433 PolarHBondContact O-N 2.72Å
434T42.7Very low46.6Very low43 Ų4395.6 Ų95.626%0.26457%0.569SS.*THydrogen-bonded Turntrans-77.6-29.9-167.2-26.70000113.7D634T434-D634 HydrophobicContact CG2-CB 4.39Å
435A33.9Very low43.4Very low56 Ų5699.6 Ų99.646%0.46360%0.597SS.*THydrogen-bonded Turntrans-94.4-42.7-179.700000112.8F437 L439A435-F437 PolarHBondContact O-N 3.31Å; A435-L439 HydrophobicContact CB-CD1 4.25Å; A435-L439 VanDerWaalsContact O-CB 3.3Å; A435-L439 WeakPolarHBondContact O-CB 3.41Å; A435-L439 VanDerWaalsContact O-CD1 3.3Å; A435-L439 WeakPolarHBondContact O-CD1 3.4Å; A435-L439 VanDerWaalsContact O-CG 3.22Å; A435-L439 WeakPolarHBondContact O-CG 3.13Å; A435-L439 PolarHBondContact O-N 3.3Å
436N34.3Very low40.7Very low105 Ų105102.1 Ų102.156%0.56162%0.615SS**Hα-helixtrans-74.6-28.5-168.6-76.7-12.6000114.6N440N436-N440 WeakPolarHBondContact O-CB 3.26Å
437F40.9Very low38.8Very low98 Ų98100.5 Ų100.543%0.4361%0.612SS.*Hα-helixtrans-82.7-30.2-178.5-149.1-91.3000113A435 P808A435-F437 PolarHBondContact O-N 3.31Å; F437-P808 HydrophobicContact CE1-CG 4.26Å; F437-P808 HydrophobicContact CZ-CG 4.33Å
438L40.3Very low37.4Very low62 Ų6298.4 Ų98.433%0.32561%0.612SS.*Hα-helixtrans-85.6-19179.1-68169.9000113M813L438-M813 HydrophobicContact CB-CE 3.93Å; L438-M813 HydrophobicContact CD1-CE 3.48Å; L438-M813 VanDerWaalsContact CD1-CE 3.48Å; L438-M813 HydrophobicContact CG-CE 4.29Å
439L35.9Very low36Very low99 Ų99101.7 Ų101.752%0.51863%0.632SS.*Hα-helixtrans-98.6-17.7-177.5-68169.9000114.4A435 S441A435-L439 HydrophobicContact CB-CD1 4.25Å; A435-L439 VanDerWaalsContact O-CB 3.3Å; A435-L439 WeakPolarHBondContact O-CB 3.41Å; A435-L439 VanDerWaalsContact O-CD1 3.3Å; A435-L439 WeakPolarHBondContact O-CD1 3.4Å; A435-L439 VanDerWaalsContact O-CG 3.22Å; A435-L439 WeakPolarHBondContact O-CG 3.13Å; A435-L439 PolarHBondContact O-N 3.3Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.88Å
440N29.9Very low34.8Very low137 Ų137102.9 Ų102.973%0.73364%0.642SS**  trans-81.667.7179.1-84.3-4.3000112.2N436N436-N440 WeakPolarHBondContact O-CB 3.26Å
441S32.8Very low33.7Very low114 Ų114108 Ų10880%0.79765%0.646SS**  trans-107.18.5167.160.20000113.3L439L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.88Å
442S33.2Very low32.5Very low97 Ų97117 Ų11768%0.67867%0.672SS**SBendtrans-125.864.2-173.155.60000113.6
443S31.6Very low31.9Very low113 Ų113123.7 Ų123.779%0.7969%0.689SS**SBendtrans17891.915135.60000112.1
444S26.9Very low30.9Very low115 Ų115124.9 Ų124.980%0.80470%0.699SS**  trans172.580.1144.740.70000110.4S446S444-S446 PolarHBondContact O-N 3.48Å
445T27.1Very low30.4Very low149 Ų149128.7 Ų128.791%0.91473%0.725SS**  trans-78.297.7160.524.20000109
446S28Very low30Very low102 Ų102131.4 Ų131.471%0.71374%0.741SS**  trans-142.5103.815762.40000110.1S444 P448S444-S446 PolarHBondContact O-N 3.48Å; S446-P448 WeakPolarHBondContact O-CD 3.3Å
447T26Very low29.7Very low137 Ų137134.4 Ų134.484%0.8475%0.751SS**PPolyproline II helixtrans-68.3129.5177.9-21.50000110.9
448P28.5Very low29Very low121 Ų121137.8 Ų137.879%0.78677%0.774SS**PPolyproline II helixtrans-97.3125.2160.42.118.1000110.2S446S446-P448 WeakPolarHBondContact O-CD 3.3Å
449T25.5Very low28.4Very low134 Ų134144 Ų14482%0.82280%0.798SS**PPolyproline II helixtrans-63.2136.1175.943.20000113.4
450S27Very low28Very low105 Ų105143.7 Ų143.773%0.73481%0.81SS**PPolyproline II helixtrans-47.2129.6167.2169.20000113.8
451R26.1Very low27.9Very low248 Ų248147 Ų14794%0.93682%0.818SS**  trans-129.6109151.2-80.8-172.6-177.8-179.31.4109.2
452R27.2Very low27.7Very low227 Ų227148.5 Ų148.586%0.85782%0.822SS**  trans-62.2135.9165.1-75.1177.2172.7174.7-3.4109.8
453K25.3Very low27.4Very low206 Ų206153 Ų15390%0.89683%0.833SS**  trans-130.8118.9153.4-92.5-173.3173.2-177.30107.7
454D26.6Very low27.3Very low154 Ų154150.7 Ų150.782%0.82483%0.826SS**PPolyproline II helixtrans-61.5144.5169.6-67.4-49.5000110.7
455P30.5Very low27.2Very low124 Ų124151.1 Ų151.181%0.80583%0.829SS**PPolyproline II helixtrans-94.5117.4163.119.7-3.1000110.1
456S27.1Very low27.4Very low113 Ų113149.7 Ų149.779%0.7982%0.822SS**PPolyproline II helixtrans-64138.6165.252.80000111.4
457E26.8Very low27.6Very low168 Ų168150 Ų15079%0.78583%0.831SS**PPolyproline II helixtrans-51.3143.5170.9-64.9178.1127.200113.2
458N26.4Very low27.6Very low168 Ų168153 Ų15390%0.89883%0.832SS**  trans-145.7114.9147.7-104.5-23.2000110.3
459K29.1Very low27.7Very low192 Ų192157.2 Ų157.284%0.83584%0.838SS**  trans-81132.7171.6-77.4173173.91680110.1
460A27Very low27.8Very low94 Ų94157.3 Ų157.378%0.77784%0.839SS**  trans-158104.1147.900000109.2
461K26.6Very low27.8Very low206 Ų206161.9 Ų161.990%0.89685%0.845SS**  84.5105.5109.9-83.2-170.5176.1-176.30114.7
462V30.2Very low28.2Very low146 Ų146157 Ų15789%0.88584%0.843SS**  trans-77.8123.5165.41750000108.1
463E26.3Very low28.5Very low192 Ų192150.2 Ų150.290%0.89784%0.844SS**  trans-122.8115.8157.5-85.7-174.5173.600108.6
464G29.3Very low28.7Very low63 Ų63144.9 Ų144.965%0.64984%0.838SS**  trans-87.6145.3170.100000110.8
465S25.5Very low29.2Very low124 Ų124142.7 Ų142.787%0.86784%0.835SS**  trans-165.8153.8163.8-870000110
466P29.7Very low30.1Very low120 Ų120141 Ų14178%0.77982%0.822SS**  -103.5165.1-123.123.6-11.3000115.6K468P466-K468 PolarHBondContact O-N 3.13Å
467A32.1Very low31.8Very low108 Ų108141.7 Ų141.789%0.89382%0.821SS**  trans-44.9120.2173.600000113.2
468K27.6Very low34.4Very low200 Ų200137 Ų13787%0.8780%0.798SS**PPolyproline II helixtrans-92.6121.2164.5-84.8-177.1176.6175.80109.7P466 V470P466-K468 PolarHBondContact O-N 3.13Å; K468-V470 PolarHBondContact O-N 3.45Å
469K29.2Very low37.2Very low210 Ų210131.4 Ų131.491%0.91378%0.776SS**PPolyproline II helixtrans-49.4124.2169.2-75.6176.5172.3178.20110.7
470V28Very low39.9Very low136 Ų136125.2 Ų125.282%0.82476%0.757SS**PPolyproline II helixtrans-76.6124171.6175.50000108.8K468K468-V470 PolarHBondContact O-N 3.45Å
471K26.8Very low43.2Very low200 Ų200124 Ų12487%0.8774%0.739SS**PPolyproline II helixtrans-73.5132.1167.8-80.1-179.1173.3-1790109.2
472T34.5Very low46.6Very low147 Ų147114.5 Ų114.590%0.90270%0.699SS**SBendtrans-66131.7171.644.10000111.5
473G33.7Very low49.8Very low84 Ų84107.7 Ų107.787%0.86666%0.657SS**  trans133.842.216400000118
474A28.9Very low53.2Low93 Ų93101.2 Ų101.277%0.76963%0.631SS**  trans-131.5139.6169.700000111.2V476A474-V476 PolarHBondContact O-N 2.91Å
475S37.3Very low56.5Low108 Ų108103.5 Ų103.576%0.75562%0.623SS**  trans-51.3126.5171.2161.50000110.4T477S475-T477 PolarHBondContact O-N 3.4Å; S475-T477 VanDerWaalsContact O-N 3.08Å
476V50.7Low60Low90 Ų90103.2 Ų103.255%0.54561%0.608SS.*  trans-67.9105.2178.6-178.10000108.3A474A474-V476 PolarHBondContact O-N 2.91Å
477T62.8Low63.2Low126 Ų12697.7 Ų97.777%0.77357%0.571SS**PPolyproline II helixtrans-80.6129.3-179.638.50000110.6S475S475-T477 PolarHBondContact O-N 3.4Å; S475-T477 VanDerWaalsContact O-N 3.08Å
478K81.5Confident66.4Low69 Ų6993.4 Ų93.430%0.353%0.533SS..PPolyproline II helixtrans-66.6150.5174.5-68.6-177-177.8174.80110.7D604 V608K478-D604 VanDerWaalsContact CE-OD1 3.23Å; K478-D604 WeakPolarHBondContact CE-OD1 3.22Å; K478-D604 IonicContact NZ-OD1 2.72Å; K478-D604 PolarHBondContact NZ-OD1 3.25Å; K478-V608 WeakPolarHBondContact CE-O 3.3Å
479A83.9Confident69.8Low52 Ų5283.9 Ų83.943%0.4349%0.491SS..PPolyproline II helixtrans-67.5139.9-174.200000112.9
480S86.1Confident73.1Confident62 Ų6273.9 Ų73.943%0.43445%0.448SS..SBendtrans-72.7-38.8174.456.90000112.4R693S480-R693 WeakPolarHBondContact O-CD 3.26Å; S480-R693 PolarHBondContact O-NH1 3.29Å
481T96.1Very high76.5Confident67 Ų6767.4 Ų67.441%0.41141%0.409SS..  trans-102.5119.2175.4-60.70000110.1T484T481-T484 HydrophobicContact CG2-CG2 4.05Å
482L97.6Very high79.9Confident8 Ų859.4 Ų59.44%0.04237%0.373CS..  trans-91.8-39.8178.5-58.5-179.6000112.5T609 I611L482-T609 HydrophobicContact CD1-CG2 3.95Å; L482-T609 HydrophobicContact CD2-CG2 3.86Å; L482-I611 HydrophobicContact CD1-CD1 4.23Å
483F98.4Very high82.9Confident3 Ų352.6 Ų52.61%0.01333%0.332CS..  trans-130.6143.6-172.9-45.7-59.4000112.1T487 V558 T583 I611 K620 F624 I626F483-T487 HydrophobicContact CD1-CG2 4.21Å; F483-V558 HydrophobicContact CD1-CG2 4.16Å; F483-V558 HydrophobicContact CE1-CG2 3.98Å; F483-T583 HydrophobicContact CE1-CG2 4.04Å; F483-T583 HydrophobicContact CZ-CG2 4.02Å; F483-I611 HydrophobicContact CE2-CD1 4.06Å; F483-I611 HydrophobicContact CZ-CD1 3.73Å; F483-K620 HydrophobicContact CB-CD 4.07Å; F483-K620 VanDerWaalsContact O-CD 3.28Å; F483-K620 WeakPolarHBondContact O-CD 3.4Å; F483-K620 WeakPolarHBondContact O-CE 3.24Å; F483-K620 PolarHBondContact O-NZ 3.05Å; F483-F624 HydrophobicContact CB-CB 3.86Å; F483-F624 HydrophobicContact CB-CD1 4.21Å; F483-F624 HydrophobicContact CB-CG 4.39Å; F483-F624 AromaticContact CD1-CD1 3.51Å; F483-F624 HydrophobicContact CD1-CD1 3.51Å; F483-F624 AromaticContact CD1-CE1 3.89Å; F483-F624 HydrophobicContact CD1-CE1 3.89Å; F483-F624 HydrophobicContact CD1-CG 4.32Å; F483-F624 HydrophobicContact CD2-CD1 4.3Å; F483-F624 AromaticContact CE1-CD1 3.93Å; F483-F624 HydrophobicContact CE1-CD1 3.93Å; F483-F624 AromaticContact CE1-CE1 3.91Å; F483-F624 HydrophobicContact CE1-CE1 3.91Å; F483-F624 HydrophobicContact CG-CB 4.29Å; F483-F624 AromaticContact CG-CD1 3.73Å; F483-F624 HydrophobicContact CG-CD1 3.73Å; F483-F624 HydrophobicContact CG-CG 4.38Å; F483-I626 HydrophobicContact CE2-CD1 4.11Å; F483-I626 HydrophobicContact CZ-CD1 3.7Å; F483-I626 HydrophobicContact CZ-CG1 4.28Å
484T98.2Very high86Confident56 Ų5651.2 Ų51.234%0.34430%0.304SS..  trans-134.2171.5174.9740000109.8T481 H486 T487T481-T484 HydrophobicContact CG2-CG2 4.05Å; T484-H486 PolarHBondContact O-N 2.75Å; T484-H486 VanDerWaalsContact O-N 3.14Å; T484-H486 PolarHBondContact OG1-N 2.83Å; T484-H486 VanDerWaalsContact OG1-N 3.12Å; T484-T487 PolarHBondContact N-OG1 3.18Å; T484-T487 WeakPolarHBondContact O-CB 3.25Å; T484-T487 PolarHBondContact O-N 3.07Å; T484-T487 PolarHBondContact O-OG1 3.1Å; T484-T487 PolarHBondContact OG1-N 2.87Å; T484-T487 PolarHBondContact OG1-OG1 3.41Å
485K97.8Very high89.3Confident111 Ų11150.1 Ų50.148%0.48328%0.283SS..THydrogen-bonded Turntrans-62.8-12.5171.366.5175.2-176.5167.80114.3R511K485-R511 PolarHBondContact O-NE 3.04Å; K485-R511 PolarHBondContact O-NH2 2.85Å
486H98.3Very high92.1Very high118 Ų11847.5 Ų47.555%0.54626%0.262SS..THydrogen-bonded Turntrans-102.5-6.7178.7-57.8-65.1000113.2T484 K488T484-H486 PolarHBondContact O-N 2.75Å; T484-H486 VanDerWaalsContact O-N 3.14Å; T484-H486 PolarHBondContact OG1-N 2.83Å; T484-H486 VanDerWaalsContact OG1-N 3.12Å; H486-K488 PolarHBondContact O-N 3.05Å
487T98.7Very high94.3Very high3 Ų353.5 Ų53.52%0.01828%0.275CS..  trans-57.2136.9-179.5-71.10000111.3F483 T484 R511 V558 F624F483-T487 HydrophobicContact CD1-CG2 4.21Å; T484-T487 PolarHBondContact N-OG1 3.18Å; T484-T487 WeakPolarHBondContact O-CB 3.25Å; T484-T487 PolarHBondContact O-N 3.07Å; T484-T487 PolarHBondContact O-OG1 3.1Å; T484-T487 PolarHBondContact OG1-N 2.87Å; T484-T487 PolarHBondContact OG1-OG1 3.41Å; T487-R511 PolarHBondContact O-NH1 2.99Å; T487-R511 PolarHBondContact O-NH2 2.94Å; T487-V558 HydrophobicContact CG2-CB 4.32Å; T487-V558 HydrophobicContact CG2-CG2 3.45Å; T487-V558 VanDerWaalsContact CG2-CG2 3.45Å; T487-F624 HydrophobicContact CG2-CD2 4.1Å; T487-F624 HydrophobicContact CG2-CE2 4.2Å; T487-F624 HydrophobicContact CG2-CG 4.27Å; T487-F624 HydrophobicContact CG2-CZ 4.44Å
488K98.8Very high96Very high18 Ų1847.6 Ų47.68%0.07824%0.239CC..  trans-123.7139.9-179.9-67.2-65.8-168.71600110.3H486 E513 P514 S515 V556 D557 V558H486-K488 PolarHBondContact O-N 3.05Å; K488-E513 WeakPolarHBondContact CE-OE2 3.26Å; K488-E513 VanDerWaalsContact NZ-CB 3.27Å; K488-E513 IonicContact NZ-OE2 3.62Å; K488-E513 PolarHBondContact NZ-OE2 3.17Å; K488-P514 WeakPolarHBondContact CD-O 3.41Å; K488-P514 WeakPolarHBondContact CE-O 3.34Å; K488-P514 PolarHBondContact NZ-O 3.28Å; K488-S515 CarbonylContact C-O 3.52Å; K488-S515 WeakPolarHBondContact CA-O 2.96Å; K488-V556 HydrophobicContact CB-CG2 4.01Å; K488-V556 WeakPolarHBondContact O-CG1 3.39Å; K488-D557 PolarHBondContact N-OD1 3.34Å; K488-D557 PolarHBondContact O-N 2.91Å; K488-D557 VanDerWaalsContact O-OD1 3.11Å; K488-V558 PolarHBondContact O-N 3.46Å
489A98.9Very high96.8Very high0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-127.1144.5-172.700000112.8S515 S517 V558 I560 F624A489-S515 PolarHBondContact N-O 3.06Å; A489-S517 PolarHBondContact O-N 2.83Å; A489-V558 CarbonylContact C-O 3.52Å; A489-V558 VanDerWaalsContact CA-O 3.22Å; A489-V558 WeakPolarHBondContact CA-O 3.5Å; A489-V558 HydrophobicContact CB-CB 4.02Å; A489-V558 HydrophobicContact CB-CG1 4.16Å; A489-I560 HydrophobicContact CB-CD1 4.31Å; A489-I560 HydrophobicContact CB-CG1 4.45Å; A489-F624 HydrophobicContact CB-CE2 4.03Å; A489-F624 HydrophobicContact CB-CZ 3.89Å
490L98.9Very high97.5Very high0 Ų043.1 Ų43.10%021%0.21CC..EExtended strand (participates in β ladder)trans-96.7138160.8-68.4178.8000108.8A518 I520 A549 M550 V556 V558 L559 I560L490-A518 WeakPolarHBondContact CA-O 3.4Å; L490-A518 HydrophobicContact CD2-CB 3.56Å; L490-I520 HydrophobicContact CB-CD1 4.4Å; L490-I520 HydrophobicContact CD1-CD1 4.18Å; L490-A549 HydrophobicContact CD1-CB 4.07Å; L490-A549 HydrophobicContact CD2-CB 4.26Å; L490-M550 HydrophobicContact CD1-CE 3.76Å; L490-M550 HydrophobicContact CD1-CG 4.32Å; L490-M550 HydrophobicContact CD1-SD 3.57Å; L490-M550 VanDerWaalsContact CD1-SD 3.57Å; L490-V556 HydrophobicContact CB-CG1 4.26Å; L490-V556 HydrophobicContact CD1-CG1 4.28Å; L490-V556 HydrophobicContact CD2-CG2 4.3Å; L490-V556 HydrophobicContact CG-CB 4.27Å; L490-V556 HydrophobicContact CG-CG1 3.66Å; L490-V556 HydrophobicContact CG-CG2 4.17Å; L490-V558 PolarHBondContact N-O 2.9Å; L490-L559 HydrophobicContact CB-CD1 4.28Å; L490-L559 WeakPolarHBondContact O-CA 3.29Å; L490-I560 PolarHBondContact O-N 3.43Å
491V98.9Very high98.1Very high1 Ų140.9 Ų40.91%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-108.1117.1174.8177.70000109.3Q495 V499 V516 A518 L519 I520 I560 F562V491-Q495 HydrophobicContact CG1-CB 4.4Å; V491-V499 HydrophobicContact CB-CG2 4.26Å; V491-V499 HydrophobicContact CG1-CG2 4.24Å; V491-V499 HydrophobicContact CG2-CG2 3.99Å; V491-V516 HydrophobicContact CG2-CG1 4.02Å; V491-V516 HydrophobicContact CG2-CG2 4.14Å; V491-A518 PolarHBondContact N-O 3.43Å; V491-L519 HydrophobicContact CB-CG 4.31Å; V491-L519 CarbonylContact O-C 3.55Å; V491-L519 VanDerWaalsContact O-CA 3.24Å; V491-L519 WeakPolarHBondContact O-CA 3.37Å; V491-I520 PolarHBondContact O-N 2.89Å; V491-I560 WeakPolarHBondContact CA-O 3.37Å; V491-I560 HydrophobicContact CG2-CB 4.42Å; V491-I560 HydrophobicContact CG2-CD1 4.45Å; V491-F562 HydrophobicContact CG1-CD2 3.85Å; V491-F562 HydrophobicContact CG1-CE2 4.01Å
492W98.6Very high98.2Very high31 Ų3137.8 Ų37.812%0.11718%0.178CC..EExtended strand (participates in β ladder)trans-85.4119172.3-164.1108.8000109P522 L559 I560 F562 A563W492-P522 HydrophobicContact CH2-CG 4.3Å; W492-P522 HydrophobicContact CZ2-CG 4.08Å; W492-L559 HydrophobicContact CB-CD2 4.48Å; W492-I560 PolarHBondContact N-O 3.4Å; W492-F562 WeakPolarHBondContact O-CA 3.42Å; W492-F562 WeakPolarHBondContact O-CB 3.36Å; W492-F562 PolarHBondContact O-N 3.08Å; W492-A563 HydrophobicContact CD2-CB 4.2Å; W492-A563 HydrophobicContact CE3-CB 3.64Å; W492-A563 HydrophobicContact CH2-CB 4.13Å; W492-A563 HydrophobicContact CZ3-CB 3.64Å
493G97.6Very high98.3Very high4 Ų437.4 Ų37.44%0.04118%0.176CC..SBendtrans110.1152.9-17700000113.5Q495 I520G493-Q495 VanDerWaalsContact C-N 3.3Å; G493-Q495 PolarHBondContact O-N 3.41Å; G493-I520 PolarHBondContact N-O 2.81Å
494M97.9Very high98.3Very high56 Ų5638.4 Ų38.428%0.27618%0.181SC..  trans-80.571.7179.9-171.760.17200111.6T496 L519 Y521 V542M494-T496 HydrophobicContact SD-CG2 4.18Å; M494-L519 HydrophobicContact SD-CD2 4.43Å; M494-Y521 HydrophobicContact CB-CD1 4.22Å; M494-Y521 HydrophobicContact CB-CD2 3.76Å; M494-Y521 HydrophobicContact CB-CE1 4.28Å; M494-Y521 HydrophobicContact CB-CE2 3.83Å; M494-Y521 HydrophobicContact CB-CG 3.96Å; M494-Y521 HydrophobicContact CE-CD1 3.68Å; M494-Y521 HydrophobicContact CE-CE1 4.35Å; M494-Y521 HydrophobicContact CE-CG 3.99Å; M494-V542 HydrophobicContact CE-CG1 3.98Å
495Q97.6Very high98.3Very high70 Ų7035.7 Ų35.733%0.32717%0.165SC..  trans-107.465.8-173.8-65.6-63.7-23.700112.9V491 G493 R497 A498 V499 F562V491-Q495 HydrophobicContact CG1-CB 4.4Å; G493-Q495 VanDerWaalsContact C-N 3.3Å; G493-Q495 PolarHBondContact O-N 3.41Å; Q495-R497 VanDerWaalsContact C-N 3.35Å; Q495-R497 PolarHBondContact O-N 3.03Å; Q495-A498 HydrophobicContact CB-CB 4.01Å; Q495-A498 PolarHBondContact O-N 2.77Å; Q495-V499 WeakPolarHBondContact O-CG2 3.35Å; Q495-V499 PolarHBondContact O-N 2.9Å; Q495-F562 HydrophobicContact CB-CD2 4.24Å; Q495-F562 HydrophobicContact CB-CE2 4.33Å; Q495-F562 HydrophobicContact CB-CG 4.44Å; Q495-F562 HydrophobicContact CG-CB 3.66Å; Q495-F562 HydrophobicContact CG-CD1 3.84Å; Q495-F562 HydrophobicContact CG-CD2 3.75Å; Q495-F562 HydrophobicContact CG-CE1 4.33Å; Q495-F562 HydrophobicContact CG-CE2 4.24Å; Q495-F562 HydrophobicContact CG-CG 3.51Å
496T97.8Very high98.4Very high53 Ų5330.4 Ų30.433%0.32514%0.142SC..Hα-helixtrans-59.3-40.6-174.955.10000113.3M494 V499 Q500 Q529 F531M494-T496 HydrophobicContact SD-CG2 4.18Å; T496-V499 PolarHBondContact O-N 2.92Å; T496-Q500 WeakPolarHBondContact O-CB 3.46Å; T496-Q500 PolarHBondContact O-N 3.27Å; T496-Q529 HydrophobicContact CG2-CG 4.15Å; T496-F531 HydrophobicContact CG2-CZ 4.37Å; T496-F531 WeakPolarHBondContact O-CE1 3.39Å
497R96.8Very high98.4Very high215 Ų21527.4 Ų27.481%0.81113%0.126SC*.Hα-helixtrans-66.8-41178.3-64.6-178.2-171.8159.42.8112.7Q495 G501Q495-R497 VanDerWaalsContact C-N 3.35Å; Q495-R497 PolarHBondContact O-N 3.03Å; R497-G501 PolarHBondContact O-N 3.01Å
498A97.9Very high98.3Very high2 Ų227.4 Ų27.42%0.01713%0.126CC..Hα-helixtrans-66-44.6177.800000110.8Q495 G501 M502 F562 N628Q495-A498 HydrophobicContact CB-CB 4.01Å; Q495-A498 PolarHBondContact O-N 2.77Å; A498-G501 PolarHBondContact O-N 3.14Å; A498-M502 WeakPolarHBondContact O-CG 3.49Å; A498-M502 PolarHBondContact O-N 3.49Å; A498-F562 HydrophobicContact CB-CE1 4.49Å; A498-F562 HydrophobicContact CB-CE2 4.35Å; A498-F562 HydrophobicContact CB-CZ 3.82Å; A498-N628 WeakPolarHBondContact CA-OD1 3.08Å; A498-N628 VanDerWaalsContact CB-OD1 3.27Å; A498-N628 WeakPolarHBondContact CB-OD1 3.47Å
499V98.8Very high98.3Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-61.6-48176173.30000110.7V491 Q495 T496 G501 M502 L503 V516 L519 F531 I540V491-V499 HydrophobicContact CB-CG2 4.26Å; V491-V499 HydrophobicContact CG1-CG2 4.24Å; V491-V499 HydrophobicContact CG2-CG2 3.99Å; Q495-V499 WeakPolarHBondContact O-CG2 3.35Å; Q495-V499 PolarHBondContact O-N 2.9Å; T496-V499 PolarHBondContact O-N 2.92Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 3.02Å; V499-M502 WeakPolarHBondContact O-CB 3.27Å; V499-M502 PolarHBondContact O-N 3.22Å; V499-M502 VanDerWaalsContact O-N 3.13Å; V499-L503 HydrophobicContact CG1-CD1 4.12Å; V499-L503 HydrophobicContact CG1-CG 4.42Å; V499-L503 VanDerWaalsContact O-CG 3.31Å; V499-L503 WeakPolarHBondContact O-CG 3.26Å; V499-L503 PolarHBondContact O-N 3.27Å; V499-V516 HydrophobicContact CG1-CB 4.13Å; V499-V516 HydrophobicContact CG1-CG1 4.04Å; V499-V516 HydrophobicContact CG1-CG2 4.11Å; V499-V516 HydrophobicContact CG2-CG1 4.3Å; V499-V516 HydrophobicContact CG2-CG2 4.43Å; V499-L519 HydrophobicContact CG2-CD1 4.33Å; V499-L519 HydrophobicContact CG2-CD2 4.2Å; V499-L519 HydrophobicContact CG2-CG 4.31Å; V499-F531 HydrophobicContact CB-CD1 4.44Å; V499-F531 HydrophobicContact CB-CE1 3.66Å; V499-F531 HydrophobicContact CB-CZ 3.83Å; V499-F531 HydrophobicContact CG1-CD1 3.9Å; V499-F531 HydrophobicContact CG1-CD2 4.4Å; V499-F531 HydrophobicContact CG1-CE1 3.46Å; V499-F531 VanDerWaalsContact CG1-CE1 3.46Å; V499-F531 HydrophobicContact CG1-CE2 3.98Å; V499-F531 HydrophobicContact CG1-CG 4.35Å; V499-F531 HydrophobicContact CG1-CZ 3.5Å; V499-F531 VanDerWaalsContact CG1-CZ 3.5Å; V499-I540 HydrophobicContact CG1-CD1 4.08Å
500Q98.6Very high98.3Very high28 Ų2831.2 Ų31.213%0.13116%0.155CC..Hα-helixtrans-58.9-45.2176.6-17257.958.700111.2T496 M502 L503 D504 F531 Y532T496-Q500 WeakPolarHBondContact O-CB 3.46Å; T496-Q500 PolarHBondContact O-N 3.27Å; Q500-M502 VanDerWaalsContact C-N 3.3Å; Q500-M502 PolarHBondContact O-N 3.04Å; Q500-L503 WeakPolarHBondContact O-CB 3.45Å; Q500-L503 PolarHBondContact O-N 2.8Å; Q500-L503 VanDerWaalsContact O-N 3.09Å; Q500-D504 PolarHBondContact NE2-OD1 2.98Å; Q500-D504 PolarHBondContact O-N 3.35Å; Q500-F531 HydrophobicContact CB-CD1 4.25Å; Q500-Y532 PolarHBondContact NE2-O 3.2Å
501G98.1Very high98.3Very high15 Ų1532 Ų3216%0.15516%0.158CC..Hα-helixtrans-60.4-36.2176.500000113.5R497 A498 V499 F505 K625R497-G501 PolarHBondContact O-N 3.01Å; A498-G501 PolarHBondContact O-N 3.14Å; V499-G501 VanDerWaalsContact C-N 3.32Å; V499-G501 PolarHBondContact O-N 3.02Å; G501-F505 WeakPolarHBondContact O-CB 3.12Å; G501-F505 PolarHBondContact O-N 3.16Å; G501-F505 VanDerWaalsContact O-N 3.12Å; G501-K625 VanDerWaalsContact C-NZ 3.32Å; G501-K625 WeakPolarHBondContact O-CE 3.31Å; G501-K625 PolarHBondContact O-NZ 3.32Å
502M98.8Very high98.2Very high1 Ų139.4 Ų39.41%0.00519%0.193CC..Hα-helixtrans-63.3-46.8171.7-70.917266.100111.5A498 V499 Q500 D504 F505 D506 V516 I560 F624 K625 G627A498-M502 WeakPolarHBondContact O-CG 3.49Å; A498-M502 PolarHBondContact O-N 3.49Å; V499-M502 WeakPolarHBondContact O-CB 3.27Å; V499-M502 PolarHBondContact O-N 3.22Å; V499-M502 VanDerWaalsContact O-N 3.13Å; Q500-M502 VanDerWaalsContact C-N 3.3Å; Q500-M502 PolarHBondContact O-N 3.04Å; M502-D504 PolarHBondContact O-N 3.25Å; M502-F505 WeakPolarHBondContact O-CB 3.08Å; M502-F505 PolarHBondContact O-N 3.19Å; M502-D506 WeakPolarHBondContact O-CB 3.48Å; M502-D506 PolarHBondContact O-N 3.09Å; M502-D506 VanDerWaalsContact O-OD2 3.13Å; M502-V516 HydrophobicContact CB-CG2 4.31Å; M502-V516 HydrophobicContact CE-CG2 3.45Å; M502-V516 VanDerWaalsContact CE-CG2 3.45Å; M502-V516 HydrophobicContact SD-CG2 3.85Å; M502-I560 HydrophobicContact CE-CD1 3.46Å; M502-I560 VanDerWaalsContact CE-CD1 3.46Å; M502-I560 HydrophobicContact SD-CD1 3.74Å; M502-F624 HydrophobicContact CE-CE2 3.75Å; M502-F624 HydrophobicContact CE-CZ 3.92Å; M502-K625 WeakPolarHBondContact CE-O 3.49Å; M502-K625 HydrophobicContact CG-CG 4.07Å; M502-G627 PolarHBondContact SD-N 2.9Å; M502-G627 VanDerWaalsContact SD-N 3.41Å
503L98.7Very high98.2Very high0 Ų043.2 Ų43.20%021%0.212CC..Hα-helixtrans-64-39178.5-61.9173.4000112.7V499 Q500 F505 D506 Y507 P514 F531 W533 I538 I540V499-L503 HydrophobicContact CG1-CD1 4.12Å; V499-L503 HydrophobicContact CG1-CG 4.42Å; V499-L503 VanDerWaalsContact O-CG 3.31Å; V499-L503 WeakPolarHBondContact O-CG 3.26Å; V499-L503 PolarHBondContact O-N 3.27Å; Q500-L503 WeakPolarHBondContact O-CB 3.45Å; Q500-L503 PolarHBondContact O-N 2.8Å; Q500-L503 VanDerWaalsContact O-N 3.09Å; L503-F505 VanDerWaalsContact C-N 3.33Å; L503-D506 PolarHBondContact O-N 3.13Å; L503-Y507 WeakPolarHBondContact O-CB 3.36Å; L503-Y507 PolarHBondContact O-N 3.11Å; L503-P514 HydrophobicContact CD2-CB 3.43Å; L503-P514 VanDerWaalsContact CD2-CB 3.43Å; L503-P514 HydrophobicContact CD2-CG 3.99Å; L503-F531 HydrophobicContact CD1-CB 3.54Å; L503-F531 HydrophobicContact CD1-CD1 4.07Å; L503-F531 HydrophobicContact CD1-CG 3.86Å; L503-W533 HydrophobicContact CB-CE3 4.36Å; L503-W533 HydrophobicContact CD2-CE3 4.35Å; L503-W533 HydrophobicContact CD2-CZ3 4.35Å; L503-W533 WeakPolarHBondContact O-CZ3 3.44Å; L503-I538 HydrophobicContact CD1-CD1 4.36Å; L503-I540 HydrophobicContact CD1-CD1 3.86Å; L503-I540 HydrophobicContact CD2-CD1 4.3Å
504D98.4Very high98.2Very high24 Ų2444.3 Ų44.313%0.12822%0.218CC..Hα-helixtrans-64.1-42.8175.9-60.6-25.8000110.6Q500 M502 Y507 V508 L633Q500-D504 PolarHBondContact NE2-OD1 2.98Å; Q500-D504 PolarHBondContact O-N 3.35Å; M502-D504 PolarHBondContact O-N 3.25Å; D504-Y507 PolarHBondContact O-N 3.26Å; D504-V508 WeakPolarHBondContact O-CG2 3.43Å; D504-V508 PolarHBondContact O-N 3.31Å; D504-L633 HydrophobicContact CB-CD1 4.27Å
505F98.7Very high98.3Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-60.9-47.2174.2169.7-93.1000111.7G501 M502 L503 Y507 V508 C509 I619 F624 K625 I636 L641G501-F505 WeakPolarHBondContact O-CB 3.12Å; G501-F505 PolarHBondContact O-N 3.16Å; G501-F505 VanDerWaalsContact O-N 3.12Å; M502-F505 WeakPolarHBondContact O-CB 3.08Å; M502-F505 PolarHBondContact O-N 3.19Å; L503-F505 VanDerWaalsContact C-N 3.33Å; F505-Y507 VanDerWaalsContact C-N 3.28Å; F505-Y507 PolarHBondContact O-N 3.02Å; F505-V508 VanDerWaalsContact O-CG2 3.3Å; F505-V508 WeakPolarHBondContact O-CG2 3.31Å; F505-V508 PolarHBondContact O-N 2.65Å; F505-C509 VanDerWaalsContact CE1-SG 3.56Å; F505-C509 VanDerWaalsContact CE2-SG 3.52Å; F505-C509 WeakPolarHBondContact CZ-SG 3.35Å; F505-C509 VanDerWaalsContact O-CB 3.3Å; F505-C509 WeakPolarHBondContact O-CB 3.37Å; F505-C509 PolarHBondContact O-N 3.13Å; F505-C509 PolarHBondContact O-SG 3.32Å; F505-I619 HydrophobicContact CD2-CD1 4.28Å; F505-I619 HydrophobicContact CE2-CD1 3.71Å; F505-I619 HydrophobicContact CE2-CG1 4.03Å; F505-I619 HydrophobicContact CZ-CD1 4.27Å; F505-I619 HydrophobicContact CZ-CG1 4.07Å; F505-F624 VanDerWaalsContact CE1-C 3.46Å; F505-K625 HydrophobicContact CB-CD 3.55Å; F505-K625 HydrophobicContact CB-CG 4.06Å; F505-K625 HydrophobicContact CD1-CB 3.9Å; F505-K625 HydrophobicContact CD1-CD 4.12Å; F505-K625 HydrophobicContact CD1-CG 3.82Å; F505-K625 HydrophobicContact CD2-CB 4.45Å; F505-K625 HydrophobicContact CD2-CD 3.96Å; F505-K625 HydrophobicContact CD2-CG 4.47Å; F505-K625 HydrophobicContact CE1-CB 3.97Å; F505-K625 HydrophobicContact CE1-CG 4.4Å; F505-K625 HydrophobicContact CE2-CB 4.48Å; F505-K625 HydrophobicContact CG-CB 4.15Å; F505-K625 HydrophobicContact CG-CD 3.6Å; F505-K625 HydrophobicContact CG-CG 3.86Å; F505-K625 HydrophobicContact CZ-CB 4.25Å; F505-I636 HydrophobicContact CD2-CD1 4.12Å; F505-I636 HydrophobicContact CD2-CG1 4.47Å; F505-I636 HydrophobicContact CD2-CG2 3.93Å; F505-L641 VanDerWaalsContact CE2-O 3.28Å; F505-L641 WeakPolarHBondContact CE2-O 3.36Å
506D98.8Very high98.3Very high0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-59.1-42.7178.9-65.8-31.7000111.2M502 L503 C509 S510 R511 S515 W533M502-D506 WeakPolarHBondContact O-CB 3.48Å; M502-D506 PolarHBondContact O-N 3.09Å; M502-D506 VanDerWaalsContact O-OD2 3.13Å; L503-D506 PolarHBondContact O-N 3.13Å; D506-C509 PolarHBondContact O-N 3.47Å; D506-S510 PolarHBondContact O-N 3.24Å; D506-R511 HydrophobicContact CB-CB 4.3Å; D506-R511 HydrophobicContact CB-CG 4.45Å; D506-R511 WeakPolarHBondContact O-CB 3.22Å; D506-R511 PolarHBondContact O-N 3.16Å; D506-R511 WeakPolarHBondContact OD1-CD 3.39Å; D506-R511 IonicContact OD1-CZ 3.34Å; D506-R511 IonicContact OD1-NE 2.81Å; D506-R511 IonicContact OD1-NH1 3Å; D506-S515 WeakPolarHBondContact OD1-CB 3.21Å; D506-S515 PolarHBondContact OD1-OG 3.37Å; D506-S515 WeakPolarHBondContact OD2-CA 3.49Å; D506-S515 WeakPolarHBondContact OD2-CB 3.34Å; D506-S515 PolarHBondContact OD2-N 3.34Å; D506-S515 PolarHBondContact OD2-OG 3.45Å; D506-W533 HydrophobicContact CB-CH2 3.6Å; D506-W533 HydrophobicContact CB-CZ3 3.52Å
507Y98.4Very high98.4Very high55 Ų5536.6 Ų36.622%0.21618%0.179CC..Hα-helixtrans-64.5-47.6178.9-170.9-93.7000112L503 D504 F505 C509 S510 W533 P809 V811L503-Y507 WeakPolarHBondContact O-CB 3.36Å; L503-Y507 PolarHBondContact O-N 3.11Å; D504-Y507 PolarHBondContact O-N 3.26Å; F505-Y507 VanDerWaalsContact C-N 3.28Å; F505-Y507 PolarHBondContact O-N 3.02Å; Y507-C509 VanDerWaalsContact C-N 3.25Å; Y507-C509 PolarHBondContact O-N 3.49Å; Y507-S510 WeakPolarHBondContact O-CA 3.38Å; Y507-S510 PolarHBondContact O-N 3.27Å; Y507-W533 AromaticContact CD2-CD2 3.97Å; Y507-W533 HydrophobicContact CD2-CD2 3.97Å; Y507-W533 AromaticContact CD2-CE2 3.78Å; Y507-W533 HydrophobicContact CD2-CG 4.17Å; Y507-W533 HydrophobicContact CD2-CZ2 4.24Å; Y507-W533 AromaticContact CD2-NE1 3.82Å; Y507-P809 HydrophobicContact CD1-CB 4.05Å; Y507-P809 HydrophobicContact CE1-CB 3.73Å; Y507-V811 HydrophobicContact CD1-CG2 3.57Å; Y507-V811 HydrophobicContact CE1-CG2 4.16Å; Y507-V811 HydrophobicContact CG-CG2 4.44Å
508V98.1Very high98.5Very high3 Ų326.4 Ų26.42%0.01814%0.141CC..Hα-helixtrans-71.1-21.8177.4-58.60000113.1D504 F505 S510 L633 I636 P808 P809 V811D504-V508 WeakPolarHBondContact O-CG2 3.43Å; D504-V508 PolarHBondContact O-N 3.31Å; F505-V508 VanDerWaalsContact O-CG2 3.3Å; F505-V508 WeakPolarHBondContact O-CG2 3.31Å; F505-V508 PolarHBondContact O-N 2.65Å; V508-S510 PolarHBondContact O-N 3.11Å; V508-L633 HydrophobicContact CB-CD1 4.44Å; V508-L633 HydrophobicContact CG1-CD1 3.79Å; V508-L633 HydrophobicContact CG1-CD2 4.17Å; V508-L633 HydrophobicContact CG1-CG 4.48Å; V508-L633 HydrophobicContact CG2-CD1 3.81Å; V508-I636 HydrophobicContact CG2-CG2 4.18Å; V508-P808 HydrophobicContact CB-CB 4.23Å; V508-P809 WeakPolarHBondContact CG1-O 3.48Å; V508-P809 WeakPolarHBondContact O-CD 3.37Å; V508-V811 HydrophobicContact CG1-CG2 3.76Å
509C98.2Very high98.5Very high15 Ų1526.3 Ų26.310%0.10114%0.14CC..THydrogen-bonded Turntrans-75.70168.3-70.50000113F505 D506 Y507 R511 G622 Y642F505-C509 VanDerWaalsContact CE1-SG 3.56Å; F505-C509 VanDerWaalsContact CE2-SG 3.52Å; F505-C509 WeakPolarHBondContact CZ-SG 3.35Å; F505-C509 VanDerWaalsContact O-CB 3.3Å; F505-C509 WeakPolarHBondContact O-CB 3.37Å; F505-C509 PolarHBondContact O-N 3.13Å; F505-C509 PolarHBondContact O-SG 3.32Å; D506-C509 PolarHBondContact O-N 3.47Å; Y507-C509 VanDerWaalsContact C-N 3.25Å; Y507-C509 PolarHBondContact O-N 3.49Å; C509-R511 HydrophobicContact CB-CG 4.43Å; C509-R511 PolarHBondContact O-N 2.99Å; C509-G622 VanDerWaalsContact SG-CA 3.59Å; C509-G622 PolarHBondContact SG-N 2.96Å; C509-G622 VanDerWaalsContact SG-N 3.44Å; C509-Y642 PolarHBondContact SG-O 3Å
510S98.2Very high98.5Very high83 Ų8326.4 Ų26.458%0.5814%0.141SC*.THydrogen-bonded Turntrans56.835.6-175.7-50.90000113.2D506 Y507 V508 P809D506-S510 PolarHBondContact O-N 3.24Å; Y507-S510 WeakPolarHBondContact O-CA 3.38Å; Y507-S510 PolarHBondContact O-N 3.27Å; V508-S510 PolarHBondContact O-N 3.11Å; S510-P809 WeakPolarHBondContact OG-CD 3.48Å; S510-P809 VanDerWaalsContact OG-CG 3.31Å; S510-P809 WeakPolarHBondContact OG-CG 3.5Å
511R98.4Very high98.5Very high16 Ų1628.2 Ų28.26%0.0615%0.147CC..  trans-66.2149.9169.9-75.4179.357.3137.80.9110.2K485 T487 D506 C509 E513 W533 C623K485-R511 PolarHBondContact O-NE 3.04Å; K485-R511 PolarHBondContact O-NH2 2.85Å; T487-R511 PolarHBondContact O-NH1 2.99Å; T487-R511 PolarHBondContact O-NH2 2.94Å; D506-R511 HydrophobicContact CB-CB 4.3Å; D506-R511 HydrophobicContact CB-CG 4.45Å; D506-R511 WeakPolarHBondContact O-CB 3.22Å; D506-R511 PolarHBondContact O-N 3.16Å; D506-R511 WeakPolarHBondContact OD1-CD 3.39Å; D506-R511 IonicContact OD1-CZ 3.34Å; D506-R511 IonicContact OD1-NE 2.81Å; D506-R511 IonicContact OD1-NH1 3Å; C509-R511 HydrophobicContact CB-CG 4.43Å; C509-R511 PolarHBondContact O-N 2.99Å; R511-E513 PolarHBondContact NE-O 3.34Å; R511-E513 VanDerWaalsContact NE-O 3.14Å; R511-E513 PolarHBondContact NH2-O 2.89Å; R511-W533 HydrophobicContact CB-CH2 4.27Å; R511-W533 WeakPolarHBondContact O-CZ2 3.46Å; R511-C623 VanDerWaalsContact CD-O 3.31Å; R511-C623 WeakPolarHBondContact CD-O 3.22Å; R511-C623 PolarHBondContact NH1-O 3.31Å
512E97.9Very high98.4Very high157 Ų15729.7 Ų29.773%0.73415%0.154SC*.SBendtrans-75.8-31.7175.7-68.1173.8-169.200111.7
513E98Very high98.2Very high111 Ų11137.2 Ų37.252%0.51919%0.187SC..SBendtrans-136.3150.4-177.2-58-173.3164.900112.9K488 R511K488-E513 WeakPolarHBondContact CE-OE2 3.26Å; K488-E513 VanDerWaalsContact NZ-CB 3.27Å; K488-E513 IonicContact NZ-OE2 3.62Å; K488-E513 PolarHBondContact NZ-OE2 3.17Å; R511-E513 PolarHBondContact NE-O 3.34Å; R511-E513 VanDerWaalsContact NE-O 3.14Å; R511-E513 PolarHBondContact NH2-O 2.89Å
514P98.6Very high98Very high27 Ų2739.7 Ų39.718%0.17520%0.202CC..  trans-43.4138164.4-36.441000113.8K488 L503 V516 W533 I538K488-P514 WeakPolarHBondContact CD-O 3.41Å; K488-P514 WeakPolarHBondContact CE-O 3.34Å; K488-P514 PolarHBondContact NZ-O 3.28Å; L503-P514 HydrophobicContact CD2-CB 3.43Å; L503-P514 VanDerWaalsContact CD2-CB 3.43Å; L503-P514 HydrophobicContact CD2-CG 3.99Å; P514-V516 VanDerWaalsContact C-N 3.35Å; P514-W533 HydrophobicContact CB-CZ3 4.39Å; P514-W533 HydrophobicContact CG-CD2 4.26Å; P514-W533 HydrophobicContact CG-CE3 3.85Å; P514-W533 HydrophobicContact CG-CZ3 3.99Å; P514-I538 HydrophobicContact CG-CD1 3.88Å
515S98.8Very high97.9Very high0 Ų040.9 Ų40.90%022%0.22CC..SBendtrans-77-20.7171.765.80000113.6K488 A489 D506K488-S515 CarbonylContact C-O 3.52Å; K488-S515 WeakPolarHBondContact CA-O 2.96Å; A489-S515 PolarHBondContact N-O 3.06Å; D506-S515 WeakPolarHBondContact OD1-CB 3.21Å; D506-S515 PolarHBondContact OD1-OG 3.37Å; D506-S515 WeakPolarHBondContact OD2-CA 3.49Å; D506-S515 WeakPolarHBondContact OD2-CB 3.34Å; D506-S515 PolarHBondContact OD2-N 3.34Å; D506-S515 PolarHBondContact OD2-OG 3.45Å
516V98.8Very high97.9Very high3 Ų344.8 Ų44.82%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-98.8118.8178.5-1790000110.2V491 V499 M502 P514 L519 I540V491-V516 HydrophobicContact CG2-CG1 4.02Å; V491-V516 HydrophobicContact CG2-CG2 4.14Å; V499-V516 HydrophobicContact CG1-CB 4.13Å; V499-V516 HydrophobicContact CG1-CG1 4.04Å; V499-V516 HydrophobicContact CG1-CG2 4.11Å; V499-V516 HydrophobicContact CG2-CG1 4.3Å; V499-V516 HydrophobicContact CG2-CG2 4.43Å; M502-V516 HydrophobicContact CB-CG2 4.31Å; M502-V516 HydrophobicContact CE-CG2 3.45Å; M502-V516 VanDerWaalsContact CE-CG2 3.45Å; M502-V516 HydrophobicContact SD-CG2 3.85Å; P514-V516 VanDerWaalsContact C-N 3.35Å; V516-L519 HydrophobicContact CG1-CD1 4.37Å; V516-I540 HydrophobicContact CB-CD1 4.32Å; V516-I540 HydrophobicContact CG1-CD1 4.37Å; V516-I540 HydrophobicContact CG1-CG2 4.37Å
517S98.6Very high97.9Very high14 Ų1448 Ų4810%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-90-37.4178.9-63.90000112.5A489 P541A489-S517 PolarHBondContact O-N 2.83Å; S517-P541 WeakPolarHBondContact O-CD 3.27Å
518A98.8Very high97.9Very high0 Ų052.2 Ų52.20%028%0.275CS..EExtended strand (participates in β ladder)trans-160.7166.117700000113.1L490 V491 P541 Y543L490-A518 WeakPolarHBondContact CA-O 3.4Å; L490-A518 HydrophobicContact CD2-CB 3.56Å; V491-A518 PolarHBondContact N-O 3.43Å; A518-P541 WeakPolarHBondContact CA-O 3.46Å; A518-P541 HydrophobicContact CB-CG 3.84Å; A518-P541 WeakPolarHBondContact CB-O 3.39Å; A518-Y543 HydrophobicContact CB-CD2 3.85Å; A518-Y543 HydrophobicContact CB-CE2 3.55Å
519L98.8Very high97.9Very high0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-109.7153.1168.8-65.777.9000110.6V491 M494 V499 V516 F531 I540 P541 V542 Y543V491-L519 HydrophobicContact CB-CG 4.31Å; V491-L519 CarbonylContact O-C 3.55Å; V491-L519 VanDerWaalsContact O-CA 3.24Å; V491-L519 WeakPolarHBondContact O-CA 3.37Å; M494-L519 HydrophobicContact SD-CD2 4.43Å; V499-L519 HydrophobicContact CG2-CD1 4.33Å; V499-L519 HydrophobicContact CG2-CD2 4.2Å; V499-L519 HydrophobicContact CG2-CG 4.31Å; V516-L519 HydrophobicContact CG1-CD1 4.37Å; L519-F531 HydrophobicContact CD1-CE2 4.16Å; L519-F531 HydrophobicContact CD1-CZ 4.32Å; L519-I540 HydrophobicContact CD1-CB 4.41Å; L519-I540 HydrophobicContact CD1-CG2 3.57Å; L519-P541 PolarHBondContact N-O 3.27Å; L519-V542 HydrophobicContact CB-CB 4.46Å; L519-V542 HydrophobicContact CB-CG1 4.12Å; L519-V542 HydrophobicContact CB-CG2 4.16Å; L519-V542 WeakPolarHBondContact O-CA 3.45Å; L519-Y543 PolarHBondContact O-N 2.85Å
520I98.8Very high97.9Very high3 Ų360.1 Ų60.12%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-117.7120.8170.8-60.1156.8000107.9L490 V491 G493 Y543 M546 A549 L559L490-I520 HydrophobicContact CB-CD1 4.4Å; L490-I520 HydrophobicContact CD1-CD1 4.18Å; V491-I520 PolarHBondContact O-N 2.89Å; G493-I520 PolarHBondContact N-O 2.81Å; I520-Y543 CarbonylContact C-O 3.44Å; I520-Y543 WeakPolarHBondContact CA-O 3.48Å; I520-M546 HydrophobicContact CD1-CB 4.05Å; I520-M546 HydrophobicContact CD1-CE 4.33Å; I520-M546 HydrophobicContact CD1-CG 3.77Å; I520-M546 HydrophobicContact CG2-CB 4.41Å; I520-A549 HydrophobicContact CD1-CB 4.11Å; I520-A549 HydrophobicContact CG1-CB 3.78Å; I520-L559 HydrophobicContact CD1-CD1 4.33Å
521Y98.3Very high97.9Very high65 Ų6556.5 Ų56.526%0.25528%0.282SS..  trans-141.8106177.7-170.7-119.7000111.1M494 F523 T524 Y543M494-Y521 HydrophobicContact CB-CD1 4.22Å; M494-Y521 HydrophobicContact CB-CD2 3.76Å; M494-Y521 HydrophobicContact CB-CE1 4.28Å; M494-Y521 HydrophobicContact CB-CE2 3.83Å; M494-Y521 HydrophobicContact CB-CG 3.96Å; M494-Y521 HydrophobicContact CE-CD1 3.68Å; M494-Y521 HydrophobicContact CE-CE1 4.35Å; M494-Y521 HydrophobicContact CE-CG 3.99Å; Y521-F523 HydrophobicContact CD1-CB 4.32Å; Y521-F523 HydrophobicContact CD2-CD2 4.19Å; Y521-F523 HydrophobicContact CE1-CB 3.77Å; Y521-F523 HydrophobicContact CE1-CD2 4.21Å; Y521-F523 HydrophobicContact CE1-CG 4.5Å; Y521-F523 AromaticContact CE2-CD2 3.58Å; Y521-F523 HydrophobicContact CE2-CD2 3.58Å; Y521-F523 HydrophobicContact CE2-CE2 4.27Å; Y521-F523 AromaticContact CZ-CD2 3.58Å; Y521-F523 PolarHBondContact O-N 3.01Å; Y521-F523 VanDerWaalsContact O-N 3.13Å; Y521-T524 HydrophobicContact CD1-CG2 3.93Å; Y521-T524 WeakPolarHBondContact CD1-OG1 3.37Å; Y521-T524 HydrophobicContact CE1-CG2 3.9Å; Y521-T524 PolarHBondContact O-N 3.44Å; Y521-Y543 PolarHBondContact N-O 2.69Å
522P96.4Very high97.9Very high47 Ų4760.5 Ų60.531%0.30530%0.298SS..THydrogen-bonded Turntrans-72.2-12.2-166.127.9-35.6000114.7W492 K544W492-P522 HydrophobicContact CH2-CG 4.3Å; W492-P522 HydrophobicContact CZ2-CG 4.08Å; P522-K544 WeakPolarHBondContact CA-O 3.31Å; P522-K544 WeakPolarHBondContact O-CE 3.31Å
523F95.3Very high97.9Very high159 Ų15955 Ų5570%0.69727%0.27SS*.THydrogen-bonded Turntrans-89.6-12.5-175-57.4-75.7000114Y521Y521-F523 HydrophobicContact CD1-CB 4.32Å; Y521-F523 HydrophobicContact CD2-CD2 4.19Å; Y521-F523 HydrophobicContact CE1-CB 3.77Å; Y521-F523 HydrophobicContact CE1-CD2 4.21Å; Y521-F523 HydrophobicContact CE1-CG 4.5Å; Y521-F523 AromaticContact CE2-CD2 3.58Å; Y521-F523 HydrophobicContact CE2-CD2 3.58Å; Y521-F523 HydrophobicContact CE2-CE2 4.27Å; Y521-F523 AromaticContact CZ-CD2 3.58Å; Y521-F523 PolarHBondContact O-N 3.01Å; Y521-F523 VanDerWaalsContact O-N 3.13Å
524T94.9Very high97.8Very high52 Ų5250 Ų5032%0.31925%0.248SC..SBendtrans-121.2156.9176.360.60000111.1Y521 H527 K544Y521-T524 HydrophobicContact CD1-CG2 3.93Å; Y521-T524 WeakPolarHBondContact CD1-OG1 3.37Å; Y521-T524 HydrophobicContact CE1-CG2 3.9Å; Y521-T524 PolarHBondContact O-N 3.44Å; T524-H527 PolarHBondContact OG1-CE1 3.16Å; T524-H527 VanDerWaalsContact OG1-CE1 3.3Å; T524-K544 VanDerWaalsContact O-CB 3.31Å; T524-K544 WeakPolarHBondContact O-CB 3.43Å; T524-K544 WeakPolarHBondContact O-CG 3.29Å
525G96.1Very high97.6Very high49 Ų4955.2 Ų55.251%0.50527%0.27SS..  trans-69.6168.5170.500000111.9H527G525-H527 PolarHBondContact O-N 2.96Å; G525-H527 PolarHBondContact O-ND1 3.1Å
526D98.3Very high97.5Very high82 Ų8261.7 Ų61.744%0.43930%0.298SS..SBendtrans-57127.6176.2-75.215.8000111.2V542 Y543 K544D526-V542 WeakPolarHBondContact CA-O 3.44Å; D526-Y543 WeakPolarHBondContact OD1-CA 3.28Å; D526-Y543 WeakPolarHBondContact OD2-CD1 3.45Å; D526-K544 PolarHBondContact OD1-N 3.28Å
527H98.3Very high97.5Very high66 Ų6666.2 Ų66.231%0.30632%0.319SS..EExtended strand (participates in β ladder)trans-152.5-175.9177.864.7-74.2000110.7T524 G525 V542T524-H527 PolarHBondContact OG1-CE1 3.16Å; T524-H527 VanDerWaalsContact OG1-CE1 3.3Å; G525-H527 PolarHBondContact O-N 2.96Å; G525-H527 PolarHBondContact O-ND1 3.1Å; H527-V542 VanDerWaalsContact CE1-CB 3.44Å; H527-V542 WeakPolarHBondContact CE1-CB 3.33Å; H527-V542 VanDerWaalsContact CE1-CG1 3.48Å; H527-V542 WeakPolarHBondContact CE1-CG1 3.41Å; H527-V542 PolarHBondContact N-O 3.34Å; H527-V542 PolarHBondContact O-N 3.19Å
528K98.1Very high97.5Very high145 Ų14567.3 Ų67.363%0.6332%0.323SS*.EExtended strand (participates in β ladder)trans-120.8136.9174.2-66.5-178-178.8-178.70109.5L539K528-L539 HydrophobicContact CB-CB 4.23Å; K528-L539 HydrophobicContact CB-CD2 4.34Å; K528-L539 HydrophobicContact CD-CB 4.12Å; K528-L539 HydrophobicContact CD-CD1 3.94Å
529Q98.3Very high97.5Very high59 Ų5971.8 Ų71.828%0.27635%0.347SS..EExtended strand (participates in β ladder)trans-104.9135.7177.2-177.660.742.300109.6T496 F531 L539 I540 V542T496-Q529 HydrophobicContact CG2-CG 4.15Å; Q529-F531 HydrophobicContact CB-CD2 4.35Å; Q529-F531 HydrophobicContact CB-CE2 3.66Å; Q529-F531 HydrophobicContact CB-CZ 4.28Å; Q529-F531 HydrophobicContact CG-CD2 4.13Å; Q529-F531 HydrophobicContact CG-CE1 4.44Å; Q529-F531 HydrophobicContact CG-CE2 3.4Å; Q529-F531 HydrophobicContact CG-CZ 3.58Å; Q529-F531 WeakPolarHBondContact O-CD2 3.4Å; Q529-L539 WeakPolarHBondContact O-CA 3.24Å; Q529-I540 PolarHBondContact N-O 3.37Å; Q529-I540 PolarHBondContact O-N 3.05Å; Q529-V542 HydrophobicContact CB-CG2 3.85Å
530K98.4Very high97.5Very high125 Ų12572.1 Ų72.154%0.54335%0.349SS..EExtended strand (participates in β ladder)trans-77.8138.1174.9-72.9-178.7169.1-146.90111.1E537 I538 L539K530-E537 WeakPolarHBondContact CE-OE2 3.44Å; K530-E537 IonicContact NZ-OE2 2.87Å; K530-E537 PolarHBondContact NZ-OE2 3.34Å; K530-I538 WeakPolarHBondContact CA-O 3.41Å; K530-L539 HydrophobicContact CB-CD2 4.4Å; K530-L539 HydrophobicContact CG-CD2 3.55Å
531F98.4Very high97.5Very high6 Ų673.2 Ų73.23%0.02636%0.356CS..EExtended strand (participates in β ladder)trans-143.4169.8175.4-69.7-78.2000110.6T496 V499 Q500 L503 L519 Q529 E537 I538 I540T496-F531 HydrophobicContact CG2-CZ 4.37Å; T496-F531 WeakPolarHBondContact O-CE1 3.39Å; V499-F531 HydrophobicContact CB-CD1 4.44Å; V499-F531 HydrophobicContact CB-CE1 3.66Å; V499-F531 HydrophobicContact CB-CZ 3.83Å; V499-F531 HydrophobicContact CG1-CD1 3.9Å; V499-F531 HydrophobicContact CG1-CD2 4.4Å; V499-F531 HydrophobicContact CG1-CE1 3.46Å; V499-F531 VanDerWaalsContact CG1-CE1 3.46Å; V499-F531 HydrophobicContact CG1-CE2 3.98Å; V499-F531 HydrophobicContact CG1-CG 4.35Å; V499-F531 HydrophobicContact CG1-CZ 3.5Å; V499-F531 VanDerWaalsContact CG1-CZ 3.5Å; Q500-F531 HydrophobicContact CB-CD1 4.25Å; L503-F531 HydrophobicContact CD1-CB 3.54Å; L503-F531 HydrophobicContact CD1-CD1 4.07Å; L503-F531 HydrophobicContact CD1-CG 3.86Å; L519-F531 HydrophobicContact CD1-CE2 4.16Å; L519-F531 HydrophobicContact CD1-CZ 4.32Å; Q529-F531 HydrophobicContact CB-CD2 4.35Å; Q529-F531 HydrophobicContact CB-CE2 3.66Å; Q529-F531 HydrophobicContact CB-CZ 4.28Å; Q529-F531 HydrophobicContact CG-CD2 4.13Å; Q529-F531 HydrophobicContact CG-CE1 4.44Å; Q529-F531 HydrophobicContact CG-CE2 3.4Å; Q529-F531 HydrophobicContact CG-CZ 3.58Å; Q529-F531 WeakPolarHBondContact O-CD2 3.4Å; F531-E537 CarbonylContact O-C 3.45Å; F531-E537 VanDerWaalsContact O-CA 3.31Å; F531-E537 WeakPolarHBondContact O-CA 3.46Å; F531-I538 HydrophobicContact CB-CG1 4.09Å; F531-I538 PolarHBondContact N-O 3.06Å; F531-I538 PolarHBondContact O-N 3.28Å; F531-I540 HydrophobicContact CD2-CB 3.77Å; F531-I540 HydrophobicContact CD2-CD1 3.69Å; F531-I540 HydrophobicContact CD2-CG1 3.77Å; F531-I540 HydrophobicContact CE2-CB 3.85Å; F531-I540 HydrophobicContact CE2-CD1 4.1Å; F531-I540 HydrophobicContact CE2-CG1 4.27Å; F531-I540 HydrophobicContact CG-CD1 4.23Å
532Y98.1Very high97.5Very high101 Ų10170.1 Ų70.140%0.39634%0.344SS..EExtended strand (participates in β ladder)trans-106139.3173.3-70.2-80.1000112.3Q500 K536 E537Q500-Y532 PolarHBondContact NE2-O 3.2Å; Y532-K536 CarbonylContact C-O 3.55Å; Y532-K536 WeakPolarHBondContact CA-O 3.31Å; Y532-E537 HydrophobicContact CD1-CG 4.12Å; Y532-E537 HydrophobicContact CE1-CG 3.6Å
533W98.1Very high97.6Very high41 Ų4168.9 Ų68.916%0.15533%0.333CS..EExtended strand (participates in β ladder)trans-115.792.9165.1-174.9-111.6000108.4L503 D506 Y507 R511 P514 H535 K536 I538L503-W533 HydrophobicContact CB-CE3 4.36Å; L503-W533 HydrophobicContact CD2-CE3 4.35Å; L503-W533 HydrophobicContact CD2-CZ3 4.35Å; L503-W533 WeakPolarHBondContact O-CZ3 3.44Å; D506-W533 HydrophobicContact CB-CH2 3.6Å; D506-W533 HydrophobicContact CB-CZ3 3.52Å; Y507-W533 AromaticContact CD2-CD2 3.97Å; Y507-W533 HydrophobicContact CD2-CD2 3.97Å; Y507-W533 AromaticContact CD2-CE2 3.78Å; Y507-W533 HydrophobicContact CD2-CG 4.17Å; Y507-W533 HydrophobicContact CD2-CZ2 4.24Å; Y507-W533 AromaticContact CD2-NE1 3.82Å; R511-W533 HydrophobicContact CB-CH2 4.27Å; R511-W533 WeakPolarHBondContact O-CZ2 3.46Å; P514-W533 HydrophobicContact CB-CZ3 4.39Å; P514-W533 HydrophobicContact CG-CD2 4.26Å; P514-W533 HydrophobicContact CG-CE3 3.85Å; P514-W533 HydrophobicContact CG-CZ3 3.99Å; W533-H535 PolarHBondContact O-N 2.86Å; W533-H535 VanDerWaalsContact O-N 3.11Å; W533-K536 PolarHBondContact N-O 2.87Å; W533-K536 PolarHBondContact O-N 2.89Å; W533-K536 VanDerWaalsContact O-N 3.16Å; W533-I538 HydrophobicContact CB-CD1 4.15Å; W533-I538 HydrophobicContact CB-CG1 4.39Å; W533-I538 HydrophobicContact CB-CG2 3.94Å
534G96.1Very high97.7Very high5 Ų566.3 Ų66.35%0.05232%0.322CS..THydrogen-bonded Turntrans65.8-105.7-164.300000110.3
535H93.7Very high97.9Very high138 Ų13867.6 Ų67.664%0.63933%0.327SS*.THydrogen-bonded Turntrans-107.9-4.9177.760.3-86000113.3W533 P812W533-H535 PolarHBondContact O-N 2.86Å; W533-H535 VanDerWaalsContact O-N 3.11Å; H535-P812 HydrophobicContact CB-CG 3.96Å
536K97.4Very high98Very high136 Ų13665.4 Ų65.459%0.59130%0.303SS*.EExtended strand (participates in β ladder)trans-92.8128.6-176.1-177.8-178.7177.2-176.80110.6Y532 W533Y532-K536 CarbonylContact C-O 3.55Å; Y532-K536 WeakPolarHBondContact CA-O 3.31Å; W533-K536 PolarHBondContact N-O 2.87Å; W533-K536 PolarHBondContact O-N 2.89Å; W533-K536 VanDerWaalsContact O-N 3.16Å
537E98.1Very high98Very high97 Ų9764 Ų6445%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-67.3131.7167.9-73.6-169.5-171.900110.8K530 F531 Y532K530-E537 WeakPolarHBondContact CE-OE2 3.44Å; K530-E537 IonicContact NZ-OE2 2.87Å; K530-E537 PolarHBondContact NZ-OE2 3.34Å; F531-E537 CarbonylContact O-C 3.45Å; F531-E537 VanDerWaalsContact O-CA 3.31Å; F531-E537 WeakPolarHBondContact O-CA 3.46Å; Y532-E537 HydrophobicContact CD1-CG 4.12Å; Y532-E537 HydrophobicContact CE1-CG 3.6Å
538I98.4Very high98Very high37 Ų3762.6 Ų62.619%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-125.7165172.763.3163.6000110.2L503 P514 K530 F531 W533 I540L503-I538 HydrophobicContact CD1-CD1 4.36Å; P514-I538 HydrophobicContact CG-CD1 3.88Å; K530-I538 WeakPolarHBondContact CA-O 3.41Å; F531-I538 HydrophobicContact CB-CG1 4.09Å; F531-I538 PolarHBondContact N-O 3.06Å; F531-I538 PolarHBondContact O-N 3.28Å; W533-I538 HydrophobicContact CB-CD1 4.15Å; W533-I538 HydrophobicContact CB-CG1 4.39Å; W533-I538 HydrophobicContact CB-CG2 3.94Å; I538-I540 HydrophobicContact CD1-CD1 4.5Å; I538-I540 HydrophobicContact CD1-CG1 4.42Å
539L98.6Very high98Very high95 Ų9555.7 Ų55.750%0.49727%0.265SS..EExtended strand (participates in β ladder)trans-118.1123.8178.8-66177000110.1K528 Q529 K530K528-L539 HydrophobicContact CB-CB 4.23Å; K528-L539 HydrophobicContact CB-CD2 4.34Å; K528-L539 HydrophobicContact CD-CB 4.12Å; K528-L539 HydrophobicContact CD-CD1 3.94Å; Q529-L539 WeakPolarHBondContact O-CA 3.24Å; K530-L539 HydrophobicContact CB-CD2 4.4Å; K530-L539 HydrophobicContact CG-CD2 3.55Å
540I98.8Very high98Very high6 Ų652.9 Ų52.93%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-107.7129.6173-63.3-177.9000108.4V499 L503 V516 L519 Q529 F531 I538V499-I540 HydrophobicContact CG1-CD1 4.08Å; L503-I540 HydrophobicContact CD1-CD1 3.86Å; L503-I540 HydrophobicContact CD2-CD1 4.3Å; V516-I540 HydrophobicContact CB-CD1 4.32Å; V516-I540 HydrophobicContact CG1-CD1 4.37Å; V516-I540 HydrophobicContact CG1-CG2 4.37Å; L519-I540 HydrophobicContact CD1-CB 4.41Å; L519-I540 HydrophobicContact CD1-CG2 3.57Å; Q529-I540 PolarHBondContact N-O 3.37Å; Q529-I540 PolarHBondContact O-N 3.05Å; F531-I540 HydrophobicContact CD2-CB 3.77Å; F531-I540 HydrophobicContact CD2-CD1 3.69Å; F531-I540 HydrophobicContact CD2-CG1 3.77Å; F531-I540 HydrophobicContact CE2-CB 3.85Å; F531-I540 HydrophobicContact CE2-CD1 4.1Å; F531-I540 HydrophobicContact CE2-CG1 4.27Å; F531-I540 HydrophobicContact CG-CD1 4.23Å; I538-I540 HydrophobicContact CD1-CD1 4.5Å; I538-I540 HydrophobicContact CD1-CG1 4.42Å
541P98.6Very high98Very high26 Ų2654.6 Ų54.617%0.16926%0.255CS..EExtended strand (participates in β ladder)trans-68.8144.8179.228.7-34.1000111.8S517 A518 L519 Y543S517-P541 WeakPolarHBondContact O-CD 3.27Å; A518-P541 WeakPolarHBondContact CA-O 3.46Å; A518-P541 HydrophobicContact CB-CG 3.84Å; A518-P541 WeakPolarHBondContact CB-O 3.39Å; L519-P541 PolarHBondContact N-O 3.27Å; P541-Y543 HydrophobicContact CB-CE1 4.5Å; P541-Y543 HydrophobicContact CB-CE2 3.81Å; P541-Y543 HydrophobicContact CG-CE2 3.91Å
542V98.8Very high98Very high1 Ų158.8 Ų58.81%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-118.7127.7172-172.90000107.7M494 L519 D526 H527 Q529M494-V542 HydrophobicContact CE-CG1 3.98Å; L519-V542 HydrophobicContact CB-CB 4.46Å; L519-V542 HydrophobicContact CB-CG1 4.12Å; L519-V542 HydrophobicContact CB-CG2 4.16Å; L519-V542 WeakPolarHBondContact O-CA 3.45Å; D526-V542 WeakPolarHBondContact CA-O 3.44Å; H527-V542 VanDerWaalsContact CE1-CB 3.44Å; H527-V542 WeakPolarHBondContact CE1-CB 3.33Å; H527-V542 VanDerWaalsContact CE1-CG1 3.48Å; H527-V542 WeakPolarHBondContact CE1-CG1 3.41Å; H527-V542 PolarHBondContact N-O 3.34Å; H527-V542 PolarHBondContact O-N 3.19Å; Q529-V542 HydrophobicContact CB-CG2 3.85Å
543Y98.8Very high98Very high21 Ų2155.4 Ų55.48%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-110.9144.2-178.4-61.8-75000111.4A518 L519 I520 Y521 D526 P541 D548 A549 K552 H553A518-Y543 HydrophobicContact CB-CD2 3.85Å; A518-Y543 HydrophobicContact CB-CE2 3.55Å; L519-Y543 PolarHBondContact O-N 2.85Å; I520-Y543 CarbonylContact C-O 3.44Å; I520-Y543 WeakPolarHBondContact CA-O 3.48Å; Y521-Y543 PolarHBondContact N-O 2.69Å; D526-Y543 WeakPolarHBondContact OD1-CA 3.28Å; D526-Y543 WeakPolarHBondContact OD2-CD1 3.45Å; P541-Y543 HydrophobicContact CB-CE1 4.5Å; P541-Y543 HydrophobicContact CB-CE2 3.81Å; P541-Y543 HydrophobicContact CG-CE2 3.91Å; Y543-D548 HydrophobicContact CD1-CB 4.2Å; Y543-A549 HydrophobicContact CD2-CB 3.45Å; Y543-A549 VanDerWaalsContact CD2-CB 3.45Å; Y543-A549 HydrophobicContact CE2-CB 4.08Å; Y543-A549 HydrophobicContact CG-CB 3.97Å; Y543-K552 HydrophobicContact CE1-CD 3.55Å; Y543-K552 WeakPolarHBondContact OH-CD 3.49Å; Y543-H553 AromaticContact CE2-CD2 3.76Å; Y543-H553 AromaticContact CE2-NE2 3.47Å; Y543-H553 WeakPolarHBondContact CE2-NE2 3.45Å; Y543-H553 AromaticContact CZ-NE2 3.72Å; Y543-H553 PolarHBondContact OH-NE2 3.25Å; Y543-H553 VanDerWaalsContact OH-NE2 3.09Å
544K98.3Very high98Very high105 Ų10558 Ų5846%0.45728%0.283SS..SBendtrans-70.3-43.8169.9-172.4174.4177.6177.90111.7P522 T524 D526P522-K544 WeakPolarHBondContact CA-O 3.31Å; P522-K544 WeakPolarHBondContact O-CE 3.31Å; T524-K544 VanDerWaalsContact O-CB 3.31Å; T524-K544 WeakPolarHBondContact O-CB 3.43Å; T524-K544 WeakPolarHBondContact O-CG 3.29Å; D526-K544 PolarHBondContact OD1-N 3.28Å
545N98.1Very high98.1Very high78 Ų7862 Ų6242%0.41730%0.303SS..SBendtrans-106.4138-175.2-53.7-47000111.2S547 D548 A549N545-S547 VanDerWaalsContact C-N 3.31Å; N545-S547 PolarHBondContact O-N 3.22Å; N545-D548 PolarHBondContact ND2-OD2 3.48Å; N545-D548 PolarHBondContact O-N 2.91Å; N545-A549 PolarHBondContact O-N 2.9Å
546M98.3Very high98.3Very high3 Ų355.4 Ų55.42%0.01527%0.273CS..Hα-helixtrans-62.5-38.4174.8-178.2178.8-60.400112I520 D548 A549 M550 L559 E574 T575 Y578I520-M546 HydrophobicContact CD1-CB 4.05Å; I520-M546 HydrophobicContact CD1-CE 4.33Å; I520-M546 HydrophobicContact CD1-CG 3.77Å; I520-M546 HydrophobicContact CG2-CB 4.41Å; M546-D548 VanDerWaalsContact C-N 3.29Å; M546-D548 PolarHBondContact O-N 3.49Å; M546-A549 WeakPolarHBondContact O-CB 3.49Å; M546-A549 PolarHBondContact O-N 2.83Å; M546-A549 VanDerWaalsContact O-N 3.11Å; M546-M550 HydrophobicContact CG-CE 3.75Å; M546-M550 HydrophobicContact CG-CG 3.95Å; M546-M550 VanDerWaalsContact O-CG 3.29Å; M546-M550 WeakPolarHBondContact O-CG 3.49Å; M546-M550 PolarHBondContact O-N 2.71Å; M546-M550 HydrophobicContact SD-CE 3.82Å; M546-L559 HydrophobicContact CE-CD1 4.26Å; M546-E574 HydrophobicContact SD-CB 4.45Å; M546-E574 HydrophobicContact SD-CG 3.99Å; M546-T575 VanDerWaalsContact CE-OG1 3.29Å; M546-T575 WeakPolarHBondContact CE-OG1 3.12Å; M546-Y578 HydrophobicContact CG-CD2 4.48Å; M546-Y578 HydrophobicContact CG-CE2 3.92Å; M546-Y578 HydrophobicContact SD-CD2 4.02Å; M546-Y578 HydrophobicContact SD-CE2 3.67Å
547S98.2Very high98.3Very high54 Ų5451 Ų5138%0.37826%0.256SS..Hα-helixtrans-56.7-40179.756.10000113.2N545 R551 Y578N545-S547 VanDerWaalsContact C-N 3.31Å; N545-S547 PolarHBondContact O-N 3.22Å; S547-R551 VanDerWaalsContact O-CB 3.25Å; S547-R551 WeakPolarHBondContact O-CB 3.32Å; S547-R551 PolarHBondContact O-N 3.47Å; S547-R551 VanDerWaalsContact O-N 3.07Å; S547-Y578 VanDerWaalsContact CA-OH 3.27Å; S547-Y578 WeakPolarHBondContact CA-OH 3.4Å; S547-Y578 WeakPolarHBondContact CB-OH 3.49Å; S547-Y578 PolarHBondContact N-OH 3.45Å
548D98.3Very high98.4Very high35 Ų3546.4 Ų46.419%0.18723%0.234CC..Hα-helixtrans-70-38.5177.2-74.8-51.7000112.4Y543 N545 M546 R551 K552Y543-D548 HydrophobicContact CD1-CB 4.2Å; N545-D548 PolarHBondContact ND2-OD2 3.48Å; N545-D548 PolarHBondContact O-N 2.91Å; M546-D548 VanDerWaalsContact C-N 3.29Å; M546-D548 PolarHBondContact O-N 3.49Å; D548-R551 IonicContact OD1-CZ 3.1Å; D548-R551 IonicContact OD1-NE 2.86Å; D548-R551 IonicContact OD1-NH2 3.99Å; D548-R551 PolarHBondContact OD1-NH2 3.29Å; D548-K552 WeakPolarHBondContact O-CB 3.49Å; D548-K552 WeakPolarHBondContact O-CG 3.36Å; D548-K552 PolarHBondContact O-N 3.17Å; D548-K552 VanDerWaalsContact O-N 3.1Å
549A98.4Very high98.4Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-64-50.6175.400000111.1L490 I520 Y543 N545 M546 R551 K552 H553L490-A549 HydrophobicContact CD1-CB 4.07Å; L490-A549 HydrophobicContact CD2-CB 4.26Å; I520-A549 HydrophobicContact CD1-CB 4.11Å; I520-A549 HydrophobicContact CG1-CB 3.78Å; Y543-A549 HydrophobicContact CD2-CB 3.45Å; Y543-A549 VanDerWaalsContact CD2-CB 3.45Å; Y543-A549 HydrophobicContact CE2-CB 4.08Å; Y543-A549 HydrophobicContact CG-CB 3.97Å; N545-A549 PolarHBondContact O-N 2.9Å; M546-A549 WeakPolarHBondContact O-CB 3.49Å; M546-A549 PolarHBondContact O-N 2.83Å; M546-A549 VanDerWaalsContact O-N 3.11Å; A549-R551 VanDerWaalsContact C-N 3.34Å; A549-R551 PolarHBondContact O-N 2.92Å; A549-K552 PolarHBondContact O-N 2.69Å; A549-H553 WeakPolarHBondContact O-CB 3.32Å; A549-H553 PolarHBondContact O-CD2 3.15Å; A549-H553 VanDerWaalsContact O-CD2 3.28Å; A549-H553 PolarHBondContact O-N 3.05Å
550M98.3Very high98.4Very high1 Ų140.1 Ų40.11%0.00520%0.201CC..Hα-helixtrans-59-44.9179.9-65.8-68.8-178.900111.7L490 M546 K552 H553 L559 T575 Y578 Q580 I581L490-M550 HydrophobicContact CD1-CE 3.76Å; L490-M550 HydrophobicContact CD1-CG 4.32Å; L490-M550 HydrophobicContact CD1-SD 3.57Å; L490-M550 VanDerWaalsContact CD1-SD 3.57Å; M546-M550 HydrophobicContact CG-CE 3.75Å; M546-M550 HydrophobicContact CG-CG 3.95Å; M546-M550 VanDerWaalsContact O-CG 3.29Å; M546-M550 WeakPolarHBondContact O-CG 3.49Å; M546-M550 PolarHBondContact O-N 2.71Å; M546-M550 HydrophobicContact SD-CE 3.82Å; M550-K552 PolarHBondContact O-N 3.26Å; M550-H553 CarbonylContact O-C 3.58Å; M550-H553 PolarHBondContact O-N 3.47Å; M550-L559 HydrophobicContact CE-CD1 3.8Å; M550-T575 HydrophobicContact CE-CG2 4.2Å; M550-Y578 HydrophobicContact CB-CD1 3.59Å; M550-Y578 HydrophobicContact CB-CE1 3.82Å; M550-Y578 HydrophobicContact CB-CG 4.13Å; M550-Y578 HydrophobicContact CE-CD2 4.05Å; M550-Y578 HydrophobicContact CE-CG 4.26Å; M550-Y578 HydrophobicContact CG-CD1 3.58Å; M550-Y578 HydrophobicContact CG-CD2 3.91Å; M550-Y578 HydrophobicContact CG-CE1 3.84Å; M550-Y578 HydrophobicContact CG-CE2 4.16Å; M550-Y578 HydrophobicContact CG-CG 3.61Å; M550-Y578 HydrophobicContact SD-CD1 4.47Å; M550-Y578 HydrophobicContact SD-CD2 4.4Å; M550-Y578 HydrophobicContact SD-CG 4.04Å; M550-Q580 PolarHBondContact O-NE2 3.43Å; M550-Q580 HydrophobicContact SD-CG 4.3Å; M550-I581 HydrophobicContact CE-CD1 3.95Å; M550-I581 HydrophobicContact CE-CG1 3.67Å; M550-I581 HydrophobicContact SD-CD1 3.88Å; M550-I581 HydrophobicContact SD-CG1 3.87Å
551R98.4Very high98.4Very high160 Ų16039.9 Ų39.960%0.60420%0.2SC*.Hα-helixtrans-64.7-38.6179.1-1801785986.6-3.5113.2S547 D548 A549S547-R551 VanDerWaalsContact O-CB 3.25Å; S547-R551 WeakPolarHBondContact O-CB 3.32Å; S547-R551 PolarHBondContact O-N 3.47Å; S547-R551 VanDerWaalsContact O-N 3.07Å; D548-R551 IonicContact OD1-CZ 3.1Å; D548-R551 IonicContact OD1-NE 2.86Å; D548-R551 IonicContact OD1-NH2 3.99Å; D548-R551 PolarHBondContact OD1-NH2 3.29Å; A549-R551 VanDerWaalsContact C-N 3.34Å; A549-R551 PolarHBondContact O-N 2.92Å
552K98.6Very high98.4Very high95 Ų9540 Ų4041%0.41320%0.198SC..Hα-helixtrans-83-18-177.6-73.1175.1-179.3169.40113.2Y543 D548 A549 M550Y543-K552 HydrophobicContact CE1-CD 3.55Å; Y543-K552 WeakPolarHBondContact OH-CD 3.49Å; D548-K552 WeakPolarHBondContact O-CB 3.49Å; D548-K552 WeakPolarHBondContact O-CG 3.36Å; D548-K552 PolarHBondContact O-N 3.17Å; D548-K552 VanDerWaalsContact O-N 3.1Å; A549-K552 PolarHBondContact O-N 2.69Å; M550-K552 PolarHBondContact O-N 3.26Å
553H98.4Very high98.3Very high30 Ų3040.1 Ų40.114%0.13920%0.199CC..  trans-128.268.3-177.2-59.4-85.8000110.9Y543 A549 M550 D555 V556 Q580Y543-H553 AromaticContact CE2-CD2 3.76Å; Y543-H553 AromaticContact CE2-NE2 3.47Å; Y543-H553 WeakPolarHBondContact CE2-NE2 3.45Å; Y543-H553 AromaticContact CZ-NE2 3.72Å; Y543-H553 PolarHBondContact OH-NE2 3.25Å; Y543-H553 VanDerWaalsContact OH-NE2 3.09Å; A549-H553 WeakPolarHBondContact O-CB 3.32Å; A549-H553 PolarHBondContact O-CD2 3.15Å; A549-H553 VanDerWaalsContact O-CD2 3.28Å; A549-H553 PolarHBondContact O-N 3.05Å; M550-H553 CarbonylContact O-C 3.58Å; M550-H553 PolarHBondContact O-N 3.47Å; H553-D555 PolarHBondContact O-N 2.86Å; H553-V556 HydrophobicContact CB-CG2 3.71Å; H553-V556 PolarHBondContact O-N 3.41Å; H553-Q580 PolarHBondContact O-NE2 2.86Å
554P97.9Very high98.1Very high95 Ų9542.2 Ų42.262%0.61722%0.217SC*.THydrogen-bonded Turntrans-70-14.8-175.530.3-36.9000114.1V556P554-V556 VanDerWaalsContact C-N 3.31Å
555D96.8Very high97.9Very high88 Ų8839 Ų3947%0.47120%0.204SC..THydrogen-bonded Turntrans-80.4-8.717861.2-45.5000113.6H553H553-D555 PolarHBondContact O-N 2.86Å
556V98.4Very high97.8Very high1 Ų142.5 Ų42.51%0.00621%0.212CC..  trans-77.9125.1179.7175.70000111.3K488 L490 H553 P554 V558 I581K488-V556 HydrophobicContact CB-CG2 4.01Å; K488-V556 WeakPolarHBondContact O-CG1 3.39Å; L490-V556 HydrophobicContact CB-CG1 4.26Å; L490-V556 HydrophobicContact CD1-CG1 4.28Å; L490-V556 HydrophobicContact CD2-CG2 4.3Å; L490-V556 HydrophobicContact CG-CB 4.27Å; L490-V556 HydrophobicContact CG-CG1 3.66Å; L490-V556 HydrophobicContact CG-CG2 4.17Å; H553-V556 HydrophobicContact CB-CG2 3.71Å; H553-V556 PolarHBondContact O-N 3.41Å; P554-V556 VanDerWaalsContact C-N 3.31Å; V556-V558 VanDerWaalsContact CG1-O 3.23Å; V556-V558 WeakPolarHBondContact CG1-O 3.39Å; V556-I581 HydrophobicContact CG1-CD1 3.84Å
557D98.5Very high97.7Very high44 Ų4443.9 Ų43.924%0.23522%0.222CC..  trans-113.8-9178.164.6-39.9000114.1K488 Q580 R582 T583K488-D557 PolarHBondContact N-OD1 3.34Å; K488-D557 PolarHBondContact O-N 2.91Å; K488-D557 VanDerWaalsContact O-OD1 3.11Å; D557-Q580 WeakPolarHBondContact CA-O 3.4Å; D557-R582 HydrophobicContact CB-CG 4.48Å; D557-R582 PolarHBondContact O-N 3.2Å; D557-T583 PolarHBondContact O-N 2.85Å
558V98.9Very high97.7Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-121.3138.5-179.8-179.40000111.8F483 T487 K488 A489 L490 V556 I560 T583 F624F483-V558 HydrophobicContact CD1-CG2 4.16Å; F483-V558 HydrophobicContact CE1-CG2 3.98Å; T487-V558 HydrophobicContact CG2-CB 4.32Å; T487-V558 HydrophobicContact CG2-CG2 3.45Å; T487-V558 VanDerWaalsContact CG2-CG2 3.45Å; K488-V558 PolarHBondContact O-N 3.46Å; A489-V558 CarbonylContact C-O 3.52Å; A489-V558 VanDerWaalsContact CA-O 3.22Å; A489-V558 WeakPolarHBondContact CA-O 3.5Å; A489-V558 HydrophobicContact CB-CB 4.02Å; A489-V558 HydrophobicContact CB-CG1 4.16Å; L490-V558 PolarHBondContact N-O 2.9Å; V556-V558 VanDerWaalsContact CG1-O 3.23Å; V556-V558 WeakPolarHBondContact CG1-O 3.39Å; V558-I560 HydrophobicContact CG1-CG1 4.2Å; V558-T583 WeakPolarHBondContact CA-O 3.42Å; V558-F624 HydrophobicContact CG1-CE1 4.24Å; V558-F624 HydrophobicContact CG1-CZ 4.1Å
559L98.9Very high97.7Very high0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-119.6128.8165-173.1135.3000110.7L490 W492 I520 M546 M550 T575 I581 T583 I584 A585L490-L559 HydrophobicContact CB-CD1 4.28Å; L490-L559 WeakPolarHBondContact O-CA 3.29Å; W492-L559 HydrophobicContact CB-CD2 4.48Å; I520-L559 HydrophobicContact CD1-CD1 4.33Å; M546-L559 HydrophobicContact CE-CD1 4.26Å; M550-L559 HydrophobicContact CE-CD1 3.8Å; L559-T575 HydrophobicContact CB-CG2 3.91Å; L559-T575 HydrophobicContact CD1-CG2 3.72Å; L559-T575 HydrophobicContact CD2-CG2 4.17Å; L559-T575 HydrophobicContact CG-CG2 4.12Å; L559-I581 HydrophobicContact CB-CD1 4.49Å; L559-I581 HydrophobicContact CB-CG2 4.06Å; L559-T583 PolarHBondContact N-O 3.26Å; L559-I584 HydrophobicContact CD2-CG2 4.01Å; L559-I584 CarbonylContact O-C 3.44Å; L559-I584 VanDerWaalsContact O-CA 3.3Å; L559-I584 WeakPolarHBondContact O-CA 3.49Å; L559-A585 PolarHBondContact O-N 3.41Å
560I98.9Very high97.6Very high0 Ų048.4 Ų48.40%024%0.235CC..EExtended strand (participates in β ladder)trans-106.5110.8174.2-50.8175.3000108A489 L490 V491 W492 M502 V558 F562 A585 I587 F624 I626A489-I560 HydrophobicContact CB-CD1 4.31Å; A489-I560 HydrophobicContact CB-CG1 4.45Å; L490-I560 PolarHBondContact O-N 3.43Å; V491-I560 WeakPolarHBondContact CA-O 3.37Å; V491-I560 HydrophobicContact CG2-CB 4.42Å; V491-I560 HydrophobicContact CG2-CD1 4.45Å; W492-I560 PolarHBondContact N-O 3.4Å; M502-I560 HydrophobicContact CE-CD1 3.46Å; M502-I560 VanDerWaalsContact CE-CD1 3.46Å; M502-I560 HydrophobicContact SD-CD1 3.74Å; V558-I560 HydrophobicContact CG1-CG1 4.2Å; I560-F562 HydrophobicContact CB-CE2 4.46Å; I560-F562 HydrophobicContact CG2-CD2 3.99Å; I560-F562 HydrophobicContact CG2-CE2 3.49Å; I560-F562 VanDerWaalsContact CG2-CE2 3.49Å; I560-F562 HydrophobicContact CG2-CZ 4.21Å; I560-A585 HydrophobicContact CG2-CB 4.37Å; I560-I587 HydrophobicContact CG2-CD1 4.3Å; I560-I587 HydrophobicContact CG2-CG1 4.19Å; I560-F624 HydrophobicContact CD1-CZ 4.03Å; I560-I626 HydrophobicContact CD1-CG2 4.11Å; I560-I626 HydrophobicContact CG1-CG2 4.2Å; I560-I626 HydrophobicContact CG2-CG2 3.92Å
561S98.4Very high97.6Very high0 Ų048.6 Ų48.60%024%0.237CC..EExtended strand (participates in β ladder)trans-96.3110.1-176.5-172.40000112.2A563 A585 I587S561-A563 VanDerWaalsContact C-N 3.34Å; S561-A563 WeakPolarHBondContact OG-CB 3.24Å; S561-A563 PolarHBondContact OG-N 2.91Å; S561-A585 PolarHBondContact N-O 2.99Å; S561-I587 WeakPolarHBondContact O-CB 3.31Å; S561-I587 WeakPolarHBondContact O-CG1 3.48Å; S561-I587 PolarHBondContact O-N 3.13Å
562F98.4Very high97.6Very high29 Ų2941 Ų4113%0.12721%0.208CC..  trans-99.926.9166.3-66.1-96000111.9V491 W492 Q495 A498 I560 I587V491-F562 HydrophobicContact CG1-CD2 3.85Å; V491-F562 HydrophobicContact CG1-CE2 4.01Å; W492-F562 WeakPolarHBondContact O-CA 3.42Å; W492-F562 WeakPolarHBondContact O-CB 3.36Å; W492-F562 PolarHBondContact O-N 3.08Å; Q495-F562 HydrophobicContact CB-CD2 4.24Å; Q495-F562 HydrophobicContact CB-CE2 4.33Å; Q495-F562 HydrophobicContact CB-CG 4.44Å; Q495-F562 HydrophobicContact CG-CB 3.66Å; Q495-F562 HydrophobicContact CG-CD1 3.84Å; Q495-F562 HydrophobicContact CG-CD2 3.75Å; Q495-F562 HydrophobicContact CG-CE1 4.33Å; Q495-F562 HydrophobicContact CG-CE2 4.24Å; Q495-F562 HydrophobicContact CG-CG 3.51Å; A498-F562 HydrophobicContact CB-CE1 4.49Å; A498-F562 HydrophobicContact CB-CE2 4.35Å; A498-F562 HydrophobicContact CB-CZ 3.82Å; I560-F562 HydrophobicContact CB-CE2 4.46Å; I560-F562 HydrophobicContact CG2-CD2 3.99Å; I560-F562 HydrophobicContact CG2-CE2 3.49Å; I560-F562 VanDerWaalsContact CG2-CE2 3.49Å; I560-F562 HydrophobicContact CG2-CZ 4.21Å; F562-I587 HydrophobicContact CD1-CB 4.02Å; F562-I587 HydrophobicContact CD1-CG1 3.91Å; F562-I587 HydrophobicContact CD1-CG2 3.88Å; F562-I587 HydrophobicContact CD2-CG1 4.4Å; F562-I587 HydrophobicContact CE1-CB 4.3Å; F562-I587 HydrophobicContact CE1-CG1 3.9Å; F562-I587 HydrophobicContact CE1-CG2 3.93Å; F562-I587 HydrophobicContact CE2-CG1 4.4Å; F562-I587 HydrophobicContact CG-CB 4.48Å; F562-I587 HydrophobicContact CG-CG1 4.18Å; F562-I587 HydrophobicContact CZ-CG1 4.15Å
563A97.3Very high97.6Very high4 Ų439.3 Ų39.33%0.03320%0.202CC..  trans-56.3151.9168.600000110.9W492 S561 A568 S571 A588W492-A563 HydrophobicContact CD2-CB 4.2Å; W492-A563 HydrophobicContact CE3-CB 3.64Å; W492-A563 HydrophobicContact CH2-CB 4.13Å; W492-A563 HydrophobicContact CZ3-CB 3.64Å; S561-A563 VanDerWaalsContact C-N 3.34Å; S561-A563 WeakPolarHBondContact OG-CB 3.24Å; S561-A563 PolarHBondContact OG-N 2.91Å; A563-A568 HydrophobicContact CB-CB 4.06Å; A563-S571 WeakPolarHBondContact CB-OG 3.49Å; A563-A588 WeakPolarHBondContact O-CB 3.44Å
564S95.5Very high97.6Very high65 Ų6541.1 Ų41.146%0.45521%0.211SC..  trans-70.1162.4173.375.90000109.7R566 S567 A568S564-R566 PolarHBondContact O-N 3.14Å; S564-R566 PolarHBondContact OG-N 3.43Å; S564-S567 PolarHBondContact N-OG 2.95Å; S564-S567 PolarHBondContact O-N 3.47Å; S564-S567 PolarHBondContact OG-OG 2.89Å; S564-A568 VanDerWaalsContact O-CB 3.28Å; S564-A568 WeakPolarHBondContact O-CB 3.41Å; S564-A568 PolarHBondContact O-N 2.62Å
565L93.6Very high97.6Very high36 Ų3636.6 Ų36.619%0.18818%0.182CC..THydrogen-bonded Turntrans-51.4-27.8175.567.488.9000113.4Y227 E589Y227-L565 HydrophobicContact CD1-CD1 3.76Å; Y227-L565 HydrophobicContact CE1-CD1 3.69Å; Y227-L565 HydrophobicContact CG-CD1 4.47Å; L565-E589 WeakPolarHBondContact CB-O 3.44Å
566R95.3Very high97.7Very high152 Ų15232.8 Ų32.857%0.57416%0.161SC*.THydrogen-bonded Turntrans-78.6-32.7-179.6-59.5179-179.7-114.2-6113Y227 S564Y227-R566 VanDerWaalsContact CB-CZ 3.44Å; Y227-R566 HydrophobicContact CD2-CB 4.5Å; Y227-R566 HydrophobicContact CD2-CG 3.93Å; Y227-R566 HydrophobicContact CE2-CB 4.27Å; Y227-R566 HydrophobicContact CE2-CG 4.11Å; Y227-R566 HydrophobicContact CG-CG 4.21Å; S564-R566 PolarHBondContact O-N 3.14Å; S564-R566 PolarHBondContact OG-N 3.43Å
567S96.7Very high97.7Very high33 Ų3339.1 Ų39.123%0.23119%0.191CC..THydrogen-bonded Turntrans-107.6-7.2-176.864.70000114S564 F569 S571S564-S567 PolarHBondContact N-OG 2.95Å; S564-S567 PolarHBondContact O-N 3.47Å; S564-S567 PolarHBondContact OG-OG 2.89Å; S567-F569 VanDerWaalsContact C-N 3.33Å; S567-F569 PolarHBondContact O-N 3.05Å; S567-S571 WeakPolarHBondContact O-CB 3.36Å; S567-S571 PolarHBondContact O-N 3.17Å; S567-S571 VanDerWaalsContact O-N 3.1Å; S567-S571 PolarHBondContact O-OG 3.24Å
568A97.6Very high97.7Very high0 Ų039.3 Ų39.30%019%0.188CC..Hα-helixtrans-64.2-35.8-178.400000112.8A563 S564 S571 T572 I586 A588 I591A563-A568 HydrophobicContact CB-CB 4.06Å; S564-A568 VanDerWaalsContact O-CB 3.28Å; S564-A568 WeakPolarHBondContact O-CB 3.41Å; S564-A568 PolarHBondContact O-N 2.62Å; A568-S571 WeakPolarHBondContact CA-OG 3.45Å; A568-S571 PolarHBondContact O-OG 3.35Å; A568-T572 WeakPolarHBondContact O-CB 3.33Å; A568-T572 PolarHBondContact O-N 3.4Å; A568-T572 VanDerWaalsContact O-N 3.11Å; A568-T572 PolarHBondContact O-OG1 3.32Å; A568-I586 HydrophobicContact CB-CG2 4.41Å; A568-A588 HydrophobicContact CB-CB 4.03Å; A568-I591 HydrophobicContact CB-CD1 3.47Å; A568-I591 VanDerWaalsContact CB-CD1 3.47Å; A568-I591 HydrophobicContact CB-CG1 4.18Å
569F98.2Very high97.6Very high43 Ų4344.3 Ų44.319%0.18922%0.221CC..Hα-helixtrans-60.7-58.1175.8178.3-104.7000111.5S567 S571 T572 M573 H595 K598 I599S567-F569 VanDerWaalsContact C-N 3.33Å; S567-F569 PolarHBondContact O-N 3.05Å; F569-S571 PolarHBondContact O-N 2.91Å; F569-T572 PolarHBondContact O-N 3.01Å; F569-M573 HydrophobicContact CD2-CG 4.31Å; F569-M573 HydrophobicContact CE1-CG 4.28Å; F569-M573 HydrophobicContact CE2-CG 3.96Å; F569-M573 HydrophobicContact CE2-SD 4.28Å; F569-M573 HydrophobicContact CZ-CG 3.95Å; F569-M573 VanDerWaalsContact O-CG 3.29Å; F569-M573 WeakPolarHBondContact O-CG 3.25Å; F569-M573 PolarHBondContact O-N 3.39Å; F569-H595 HydrophobicContact CD2-CB 3.64Å; F569-H595 AromaticContact CD2-CG 3.92Å; F569-H595 HydrophobicContact CE2-CB 4.14Å; F569-H595 HydrophobicContact CG-CB 4.19Å; F569-H595 AromaticContact CG-ND1 3.99Å; F569-K598 HydrophobicContact CE2-CB 3.97Å; F569-K598 HydrophobicContact CE2-CD 4.44Å; F569-K598 HydrophobicContact CZ-CB 4.42Å; F569-K598 HydrophobicContact CZ-CD 4.28Å; F569-I599 HydrophobicContact CD2-CD1 3.85Å; F569-I599 HydrophobicContact CD2-CG1 3.71Å; F569-I599 HydrophobicContact CE2-CG1 3.99Å
570E97.7Very high97.5Very high141 Ų14146.9 Ų46.966%0.65923%0.233SC*.Hα-helixtrans-62.6-46.9-176.4-64.1-179.6163.400112.4T572 M573 E574E570-T572 VanDerWaalsContact C-N 3.3Å; E570-T572 PolarHBondContact O-N 3.48Å; E570-M573 PolarHBondContact O-N 2.92Å; E570-E574 WeakPolarHBondContact O-CB 3.12Å; E570-E574 PolarHBondContact O-N 3.44Å
571S97.6Very high97.5Very high5 Ų547 Ų474%0.03523%0.233CC..Hα-helixtrans-62.9-34.3179.3560000113.1A563 S567 A568 F569 T575A563-S571 WeakPolarHBondContact CB-OG 3.49Å; S567-S571 WeakPolarHBondContact O-CB 3.36Å; S567-S571 PolarHBondContact O-N 3.17Å; S567-S571 VanDerWaalsContact O-N 3.1Å; S567-S571 PolarHBondContact O-OG 3.24Å; A568-S571 WeakPolarHBondContact CA-OG 3.45Å; A568-S571 PolarHBondContact O-OG 3.35Å; F569-S571 PolarHBondContact O-N 2.91Å; S571-T575 WeakPolarHBondContact O-CB 3.45Å; S571-T575 PolarHBondContact O-N 3.41Å; S571-T575 PolarHBondContact O-OG1 2.91Å
572T98.6Very high97.4Very high0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-72.8-42.9176.4-57.20000111.2A568 F569 E570 E574 T575 M576 I584 I586 I599A568-T572 WeakPolarHBondContact O-CB 3.33Å; A568-T572 PolarHBondContact O-N 3.4Å; A568-T572 VanDerWaalsContact O-N 3.11Å; A568-T572 PolarHBondContact O-OG1 3.32Å; F569-T572 PolarHBondContact O-N 3.01Å; E570-T572 VanDerWaalsContact C-N 3.3Å; E570-T572 PolarHBondContact O-N 3.48Å; T572-E574 VanDerWaalsContact C-N 3.33Å; T572-E574 PolarHBondContact O-N 2.71Å; T572-T575 WeakPolarHBondContact O-CB 3.48Å; T572-T575 PolarHBondContact O-N 3.48Å; T572-M576 HydrophobicContact CG2-CE 4.26Å; T572-M576 WeakPolarHBondContact O-CG 3.46Å; T572-M576 PolarHBondContact O-N 3.09Å; T572-I584 HydrophobicContact CG2-CD1 4.16Å; T572-I584 HydrophobicContact CG2-CG2 4.33Å; T572-I586 HydrophobicContact CG2-CD1 3.89Å; T572-I586 HydrophobicContact CG2-CG1 4.46Å; T572-I599 HydrophobicContact CG2-CG2 3.71Å
573M98.4Very high97.5Very high59 Ų5950.5 Ų50.529%0.29125%0.246SC..Hα-helixtrans-62.9-39.4175.6-66.4-58.9-67.100111.8F569 E570 M576 I599 A602F569-M573 HydrophobicContact CD2-CG 4.31Å; F569-M573 HydrophobicContact CE1-CG 4.28Å; F569-M573 HydrophobicContact CE2-CG 3.96Å; F569-M573 HydrophobicContact CE2-SD 4.28Å; F569-M573 HydrophobicContact CZ-CG 3.95Å; F569-M573 VanDerWaalsContact O-CG 3.29Å; F569-M573 WeakPolarHBondContact O-CG 3.25Å; F569-M573 PolarHBondContact O-N 3.39Å; E570-M573 PolarHBondContact O-N 2.92Å; M573-M576 HydrophobicContact CE-CE 4.27Å; M573-M576 HydrophobicContact CG-CE 4.42Å; M573-M576 PolarHBondContact O-N 2.78Å; M573-M576 HydrophobicContact SD-CE 3.28Å; M573-M576 WeakPolarHBondContact SD-CE 3.4Å; M573-I599 HydrophobicContact SD-CG1 4.24Å; M573-A602 HydrophobicContact CE-CB 3.93Å; M573-A602 HydrophobicContact SD-CB 4.19Å
574E98.4Very high97.5Very high69 Ų6950.3 Ų50.332%0.32224%0.244SC..Hα-helixtrans-61.4-48.2171.9-173.1-169.1-176.400111.1M546 E570 T572 M576 Q577 Y578M546-E574 HydrophobicContact SD-CB 4.45Å; M546-E574 HydrophobicContact SD-CG 3.99Å; E570-E574 WeakPolarHBondContact O-CB 3.12Å; E570-E574 PolarHBondContact O-N 3.44Å; T572-E574 VanDerWaalsContact C-N 3.33Å; T572-E574 PolarHBondContact O-N 2.71Å; E574-M576 PolarHBondContact O-N 3.2Å; E574-Q577 VanDerWaalsContact O-CB 3.23Å; E574-Q577 WeakPolarHBondContact O-CB 3.22Å; E574-Q577 WeakPolarHBondContact O-CG 3.49Å; E574-Q577 PolarHBondContact O-N 3.46Å; E574-Y578 HydrophobicContact CG-CE2 4.35Å; E574-Y578 WeakPolarHBondContact O-CD2 3.4Å; E574-Y578 WeakPolarHBondContact O-CE2 3.35Å
575T98.5Very high97.7Very high0 Ų047.2 Ų47.20%022%0.223CC..Hα-helixtrans-55.5-40.9178.7-59.70000111.8M546 M550 L559 S571 T572 Q577 Y578 I581 I584M546-T575 VanDerWaalsContact CE-OG1 3.29Å; M546-T575 WeakPolarHBondContact CE-OG1 3.12Å; M550-T575 HydrophobicContact CE-CG2 4.2Å; L559-T575 HydrophobicContact CB-CG2 3.91Å; L559-T575 HydrophobicContact CD1-CG2 3.72Å; L559-T575 HydrophobicContact CD2-CG2 4.17Å; L559-T575 HydrophobicContact CG-CG2 4.12Å; S571-T575 WeakPolarHBondContact O-CB 3.45Å; S571-T575 PolarHBondContact O-N 3.41Å; S571-T575 PolarHBondContact O-OG1 2.91Å; T572-T575 WeakPolarHBondContact O-CB 3.48Å; T572-T575 PolarHBondContact O-N 3.48Å; T575-Q577 PolarHBondContact O-N 2.86Å; T575-Q577 VanDerWaalsContact O-N 3.08Å; T575-Y578 WeakPolarHBondContact O-CD2 3.26Å; T575-Y578 PolarHBondContact O-N 2.97Å; T575-I581 HydrophobicContact CG2-CB 4.21Å; T575-I581 HydrophobicContact CG2-CG1 4.06Å; T575-I581 HydrophobicContact CG2-CG2 3.94Å; T575-I584 HydrophobicContact CG2-CD1 3.59Å; T575-I584 HydrophobicContact CG2-CG1 3.99Å
576M97.9Very high97.9Very high8 Ų845.5 Ų45.54%0.03921%0.214CC..THydrogen-bonded Turntrans-66.4-8.9179.4-74.1-170.2-7200113.6T572 M573 E574 I584 I599 A602 A603 K606T572-M576 HydrophobicContact CG2-CE 4.26Å; T572-M576 WeakPolarHBondContact O-CG 3.46Å; T572-M576 PolarHBondContact O-N 3.09Å; M573-M576 HydrophobicContact CE-CE 4.27Å; M573-M576 HydrophobicContact CG-CE 4.42Å; M573-M576 PolarHBondContact O-N 2.78Å; M573-M576 HydrophobicContact SD-CE 3.28Å; M573-M576 WeakPolarHBondContact SD-CE 3.4Å; E574-M576 PolarHBondContact O-N 3.2Å; M576-I584 HydrophobicContact CG-CD1 3.78Å; M576-I599 HydrophobicContact CE-CG2 4.31Å; M576-A602 HydrophobicContact CE-CB 3.62Å; M576-A602 HydrophobicContact SD-CB 3.95Å; M576-A603 HydrophobicContact SD-CB 3.88Å; M576-K606 VanDerWaalsContact C-NZ 3.32Å; M576-K606 HydrophobicContact CB-CD 3.89Å; M576-K606 VanDerWaalsContact O-CD 3.28Å; M576-K606 WeakPolarHBondContact O-CD 3.49Å; M576-K606 WeakPolarHBondContact O-CE 3.29Å; M576-K606 PolarHBondContact O-NZ 2.87Å
577Q97.9Very high98.1Very high134 Ų13439.7 Ų39.763%0.62619%0.194SC*.THydrogen-bonded Turntrans-73.6-16.7170.6-57.5179.615.200112.4E574 T575 P579E574-Q577 VanDerWaalsContact O-CB 3.23Å; E574-Q577 WeakPolarHBondContact O-CB 3.22Å; E574-Q577 WeakPolarHBondContact O-CG 3.49Å; E574-Q577 PolarHBondContact O-N 3.46Å; T575-Q577 PolarHBondContact O-N 2.86Å; T575-Q577 VanDerWaalsContact O-N 3.08Å; Q577-P579 WeakPolarHBondContact O-CD 3.32Å
578Y98.3Very high98Very high48 Ų4838.7 Ų38.719%0.18819%0.188CC..  trans-101.2104.1-178.4-56.5-85.8000110.6M546 S547 M550 E574 T575 Q580 I581M546-Y578 HydrophobicContact CG-CD2 4.48Å; M546-Y578 HydrophobicContact CG-CE2 3.92Å; M546-Y578 HydrophobicContact SD-CD2 4.02Å; M546-Y578 HydrophobicContact SD-CE2 3.67Å; S547-Y578 VanDerWaalsContact CA-OH 3.27Å; S547-Y578 WeakPolarHBondContact CA-OH 3.4Å; S547-Y578 WeakPolarHBondContact CB-OH 3.49Å; S547-Y578 PolarHBondContact N-OH 3.45Å; M550-Y578 HydrophobicContact CB-CD1 3.59Å; M550-Y578 HydrophobicContact CB-CE1 3.82Å; M550-Y578 HydrophobicContact CB-CG 4.13Å; M550-Y578 HydrophobicContact CE-CD2 4.05Å; M550-Y578 HydrophobicContact CE-CG 4.26Å; M550-Y578 HydrophobicContact CG-CD1 3.58Å; M550-Y578 HydrophobicContact CG-CD2 3.91Å; M550-Y578 HydrophobicContact CG-CE1 3.84Å; M550-Y578 HydrophobicContact CG-CE2 4.16Å; M550-Y578 HydrophobicContact CG-CG 3.61Å; M550-Y578 HydrophobicContact SD-CD1 4.47Å; M550-Y578 HydrophobicContact SD-CD2 4.4Å; M550-Y578 HydrophobicContact SD-CG 4.04Å; E574-Y578 HydrophobicContact CG-CE2 4.35Å; E574-Y578 WeakPolarHBondContact O-CD2 3.4Å; E574-Y578 WeakPolarHBondContact O-CE2 3.35Å; T575-Y578 WeakPolarHBondContact O-CD2 3.26Å; T575-Y578 PolarHBondContact O-N 2.97Å; Y578-Q580 PolarHBondContact O-N 3.31Å; Y578-Q580 VanDerWaalsContact O-N 3.1Å; Y578-I581 PolarHBondContact O-N 3.24Å; Y578-I581 VanDerWaalsContact O-N 3.16Å
579P96.9Very high97.8Very high104 Ų10441.6 Ų41.668%0.67520%0.202SC*.THydrogen-bonded Turntrans-67-16.5-17126.7-35.7000114.5Q577 I581 R582Q577-P579 WeakPolarHBondContact O-CD 3.32Å; P579-I581 PolarHBondContact O-N 2.93Å; P579-R582 PolarHBondContact O-NH1 2.9Å
580Q97.3Very high97.6Very high54 Ų5439.9 Ų39.925%0.25220%0.196SC..THydrogen-bonded Turntrans-62.1-30.417567.1-167.883.700112.2M550 H553 D557 Y578 R582M550-Q580 PolarHBondContact O-NE2 3.43Å; M550-Q580 HydrophobicContact SD-CG 4.3Å; H553-Q580 PolarHBondContact O-NE2 2.86Å; D557-Q580 WeakPolarHBondContact CA-O 3.4Å; Y578-Q580 PolarHBondContact O-N 3.31Å; Y578-Q580 VanDerWaalsContact O-N 3.1Å; Q580-R582 PolarHBondContact O-N 2.99Å
581I98.4Very high97.5Very high2 Ų233.3 Ų33.31%0.0117%0.165CC..  trans-79120.9178.9-54.6-58.9000109.9M550 V556 L559 T575 Y578 P579 I584M550-I581 HydrophobicContact CE-CD1 3.95Å; M550-I581 HydrophobicContact CE-CG1 3.67Å; M550-I581 HydrophobicContact SD-CD1 3.88Å; M550-I581 HydrophobicContact SD-CG1 3.87Å; V556-I581 HydrophobicContact CG1-CD1 3.84Å; L559-I581 HydrophobicContact CB-CD1 4.49Å; L559-I581 HydrophobicContact CB-CG2 4.06Å; T575-I581 HydrophobicContact CG2-CB 4.21Å; T575-I581 HydrophobicContact CG2-CG1 4.06Å; T575-I581 HydrophobicContact CG2-CG2 3.94Å; Y578-I581 PolarHBondContact O-N 3.24Å; Y578-I581 VanDerWaalsContact O-N 3.16Å; P579-I581 PolarHBondContact O-N 2.93Å; I581-I584 HydrophobicContact CG2-CD1 4.42Å; I581-I584 HydrophobicContact CG2-CG1 3.73Å
582R98.1Very high97.5Very high99 Ų9933.1 Ų33.137%0.37416%0.164SC..  trans-108.7-23.4-178.8-53.7-48.7-55.7163.73.8112.8D557 P579 Q580 K606 G607 T609D557-R582 HydrophobicContact CB-CG 4.48Å; D557-R582 PolarHBondContact O-N 3.2Å; P579-R582 PolarHBondContact O-NH1 2.9Å; Q580-R582 PolarHBondContact O-N 2.99Å; R582-K606 PolarHBondContact NH2-O 3.42Å; R582-G607 PolarHBondContact NH2-O 3.46Å; R582-T609 PolarHBondContact O-N 3.35Å
583T98.8Very high97.4Very high4 Ų433.9 Ų33.93%0.02517%0.167CC..EExtended strand (participates in β ladder)trans-133.1131.6176.2-53.10000111.1F483 D557 V558 L559 T609 I611F483-T583 HydrophobicContact CE1-CG2 4.04Å; F483-T583 HydrophobicContact CZ-CG2 4.02Å; D557-T583 PolarHBondContact O-N 2.85Å; V558-T583 WeakPolarHBondContact CA-O 3.42Å; L559-T583 PolarHBondContact N-O 3.26Å; T583-T609 CarbonylContact C-O 3.6Å; T583-T609 VanDerWaalsContact CA-O 3.27Å; T583-T609 WeakPolarHBondContact CA-O 3.47Å; T583-I611 HydrophobicContact CG2-CD1 4.23Å; T583-I611 HydrophobicContact CG2-CG1 4.48Å
584I98.8Very high97.3Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-119.6126.2172.8-53.5172.3000108.6L559 T572 T575 M576 I581 I586 V608 T609 L610 I611L559-I584 HydrophobicContact CD2-CG2 4.01Å; L559-I584 CarbonylContact O-C 3.44Å; L559-I584 VanDerWaalsContact O-CA 3.3Å; L559-I584 WeakPolarHBondContact O-CA 3.49Å; T572-I584 HydrophobicContact CG2-CD1 4.16Å; T572-I584 HydrophobicContact CG2-CG2 4.33Å; T575-I584 HydrophobicContact CG2-CD1 3.59Å; T575-I584 HydrophobicContact CG2-CG1 3.99Å; M576-I584 HydrophobicContact CG-CD1 3.78Å; I581-I584 HydrophobicContact CG2-CD1 4.42Å; I581-I584 HydrophobicContact CG2-CG1 3.73Å; I584-I586 HydrophobicContact CG2-CG1 4.09Å; I584-V608 HydrophobicContact CD1-CG1 3.97Å; I584-V608 HydrophobicContact CG1-CG1 3.91Å; I584-T609 PolarHBondContact N-O 3.18Å; I584-L610 HydrophobicContact CB-CD2 3.9Å; I584-L610 HydrophobicContact CD1-CD2 4.3Å; I584-L610 HydrophobicContact CG1-CD2 4.47Å; I584-L610 CarbonylContact O-C 3.58Å; I584-L610 WeakPolarHBondContact O-CA 3.42Å; I584-I611 PolarHBondContact O-N 3.32Å
585A98.8Very high97.3Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-100.9120170.700000109.9L559 I560 S561 I611 I626L559-A585 PolarHBondContact O-N 3.41Å; I560-A585 HydrophobicContact CG2-CB 4.37Å; S561-A585 PolarHBondContact N-O 2.99Å; A585-I611 CarbonylContact C-O 3.5Å; A585-I611 VanDerWaalsContact CA-O 3.28Å; A585-I611 WeakPolarHBondContact CA-O 3.22Å; A585-I626 HydrophobicContact CB-CD1 4.19Å; A585-I626 HydrophobicContact CB-CG2 3.59Å
586I98.7Very high97.3Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-105106.7-178.1-53.8171.2000108.5A568 T572 I584 I591 I599 I611 P613 T615A568-I586 HydrophobicContact CB-CG2 4.41Å; T572-I586 HydrophobicContact CG2-CD1 3.89Å; T572-I586 HydrophobicContact CG2-CG1 4.46Å; I584-I586 HydrophobicContact CG2-CG1 4.09Å; I586-I591 HydrophobicContact CG2-CD1 3.76Å; I586-I599 HydrophobicContact CD1-CD1 4.49Å; I586-I599 HydrophobicContact CD1-CG2 4.13Å; I586-I611 PolarHBondContact N-O 3.32Å; I586-P613 HydrophobicContact CB-CB 4.21Å; I586-P613 HydrophobicContact CB-CG 4.31Å; I586-P613 HydrophobicContact CD1-CG 4.2Å; I586-P613 HydrophobicContact CG2-CB 3.8Å; I586-P613 HydrophobicContact CG2-CG 4.04Å; I586-P613 WeakPolarHBondContact O-CA 3.5Å; I586-T615 WeakPolarHBondContact O-CG2 3.41Å
587I98.2Very high97.3Very high30 Ų3031 Ų3115%0.15416%0.157CC..  trans-81.5-29.6-172.9-53.5-56.4000112.2I560 S561 F562 E589 T615 I626I560-I587 HydrophobicContact CG2-CD1 4.3Å; I560-I587 HydrophobicContact CG2-CG1 4.19Å; S561-I587 WeakPolarHBondContact O-CB 3.31Å; S561-I587 WeakPolarHBondContact O-CG1 3.48Å; S561-I587 PolarHBondContact O-N 3.13Å; F562-I587 HydrophobicContact CD1-CB 4.02Å; F562-I587 HydrophobicContact CD1-CG1 3.91Å; F562-I587 HydrophobicContact CD1-CG2 3.88Å; F562-I587 HydrophobicContact CD2-CG1 4.4Å; F562-I587 HydrophobicContact CE1-CB 4.3Å; F562-I587 HydrophobicContact CE1-CG1 3.9Å; F562-I587 HydrophobicContact CE1-CG2 3.93Å; F562-I587 HydrophobicContact CE2-CG1 4.4Å; F562-I587 HydrophobicContact CG-CB 4.48Å; F562-I587 HydrophobicContact CG-CG1 4.18Å; F562-I587 HydrophobicContact CZ-CG1 4.15Å; I587-E589 PolarHBondContact O-N 2.82Å; I587-T615 WeakPolarHBondContact CA-O 3.11Å; I587-T615 WeakPolarHBondContact CD1-O 3.43Å; I587-I626 HydrophobicContact CD1-CG2 4.31Å
588A96.1Very high97.3Very high13 Ų1327.8 Ų27.811%0.10714%0.14CC..  trans-57.3132.7-17500000112.9A563 A568 I591 P613 A614A563-A588 WeakPolarHBondContact O-CB 3.44Å; A568-A588 HydrophobicContact CB-CB 4.03Å; A588-I591 HydrophobicContact CB-CD1 4.26Å; A588-I591 HydrophobicContact CB-CG1 4.33Å; A588-P613 WeakPolarHBondContact O-CB 3.44Å; A588-A614 WeakPolarHBondContact O-CA 3.45Å; A588-A614 PolarHBondContact O-N 3.13Å
589E92.6Very high97.3Very high61 Ų6125.5 Ų25.529%0.28513%0.132SC..SBendtrans-97.7145168-178.2179.7154.200109.9S263 L565 I587 A614S263-E589 PolarHBondContact OG-OE1 2.79Å; L565-E589 WeakPolarHBondContact CB-O 3.44Å; I587-E589 PolarHBondContact O-N 2.82Å; E589-A614 HydrophobicContact CB-CB 3.88Å; E589-A614 HydrophobicContact CG-CB 3.88Å
590G93.1Very high97.4Very high7 Ų720.9 Ų20.97%0.07210%0.101CC..  trans89.226.9176.500000114.7
591I96.6Very high97.4Very high3 Ų321.3 Ų21.32%0.01510%0.102CC..  trans-76.6135.4167.8-56.6-179.6000108.3A568 I586 A588 E593 H595 P613A568-I591 HydrophobicContact CB-CD1 3.47Å; A568-I591 VanDerWaalsContact CB-CD1 3.47Å; A568-I591 HydrophobicContact CB-CG1 4.18Å; I586-I591 HydrophobicContact CG2-CD1 3.76Å; A588-I591 HydrophobicContact CB-CD1 4.26Å; A588-I591 HydrophobicContact CB-CG1 4.33Å; I591-E593 PolarHBondContact O-N 3.25Å; I591-H595 HydrophobicContact CG2-CB 4.01Å; I591-P613 HydrophobicContact CD1-CB 3.81Å; I591-P613 HydrophobicContact CD1-CG 3.87Å; I591-P613 HydrophobicContact CG1-CB 4.44Å
592P97.1Very high97.4Very high0 Ų021.8 Ų21.80%011%0.106CC..  trans-52.6135.2175.1-28.836.6000114F196 D222 T224 A225 Y227 I228 A594 H595 T596F196-P592 HydrophobicContact CD1-CB 4.15Å; F196-P592 HydrophobicContact CE1-CB 4.01Å; D222-P592 VanDerWaalsContact OD2-CA 3.26Å; D222-P592 WeakPolarHBondContact OD2-CA 3.24Å; T224-P592 WeakPolarHBondContact OG1-CA 3.26Å; A225-P592 HydrophobicContact CB-CB 4.24Å; A225-P592 HydrophobicContact CB-CG 4.1Å; Y227-P592 HydrophobicContact CE1-CG 3.76Å; I228-P592 HydrophobicContact CD1-CG 3.99Å; P592-A594 PolarHBondContact O-N 3.14Å; P592-H595 HydrophobicContact CB-CB 4.35Å; P592-H595 WeakPolarHBondContact O-CB 3.33Å; P592-H595 PolarHBondContact O-N 2.79Å; P592-T596 PolarHBondContact O-N 3.33Å; P592-T596 PolarHBondContact O-OG1 3Å
593E96.8Very high97.4Very high16 Ų1617 Ų178%0.0759%0.088CC..Hα-helixtrans-51.9-43.2179.7-68.1-177.6-16300110.4D222 I591 H595 T596 R597 R681 Y682D222-E593 PolarHBondContact OD2-N 3.44Å; I591-E593 PolarHBondContact O-N 3.25Å; E593-H595 PolarHBondContact O-N 3Å; E593-T596 PolarHBondContact O-N 3.31Å; E593-R597 WeakPolarHBondContact O-CG 3.46Å; E593-R597 PolarHBondContact O-N 3.48Å; E593-R681 HydrophobicContact CG-CB 4.31Å; E593-R681 IonicContact OE1-NH1 3.79Å; E593-R681 WeakPolarHBondContact OE2-CD 3.1Å; E593-R681 IonicContact OE2-CZ 2.73Å; E593-R681 IonicContact OE2-NE 3.28Å; E593-R681 IonicContact OE2-NH1 3.52Å; E593-R681 PolarHBondContact OE2-NH1 2.92Å; E593-R681 VanDerWaalsContact OE2-NH1 3.09Å; E593-Y682 HydrophobicContact CB-CD2 4.17Å; E593-Y682 HydrophobicContact CB-CE2 4.06Å
594A96.9Very high97.2Very high23 Ų2320.4 Ų20.419%0.1911%0.106CC..Hα-helixtrans-62.8-4117800000113.1F196 P592 R597 K598F196-A594 HydrophobicContact CD1-CB 4.02Å; F196-A594 HydrophobicContact CE1-CB 3.99Å; P592-A594 PolarHBondContact O-N 3.14Å; A594-R597 PolarHBondContact O-N 3.34Å; A594-K598 PolarHBondContact O-N 2.86Å
595H97.9Very high97.1Very high33 Ų3326.5 Ų26.515%0.15314%0.135CC..Hα-helixtrans-67.1-41.9175.9-77.9-178.2000111.5F196 I228 F569 I591 P592 E593 R597 K598 I599F196-H595 AromaticContact CZ-NE2 3.91Å; I228-H595 WeakPolarHBondContact CD1-CE1 3.17Å; F569-H595 HydrophobicContact CD2-CB 3.64Å; F569-H595 AromaticContact CD2-CG 3.92Å; F569-H595 HydrophobicContact CE2-CB 4.14Å; F569-H595 HydrophobicContact CG-CB 4.19Å; F569-H595 AromaticContact CG-ND1 3.99Å; I591-H595 HydrophobicContact CG2-CB 4.01Å; P592-H595 HydrophobicContact CB-CB 4.35Å; P592-H595 WeakPolarHBondContact O-CB 3.33Å; P592-H595 PolarHBondContact O-N 2.79Å; E593-H595 PolarHBondContact O-N 3Å; H595-R597 VanDerWaalsContact C-N 3.31Å; H595-R597 PolarHBondContact O-N 3.44Å; H595-K598 WeakPolarHBondContact O-CB 3.42Å; H595-K598 PolarHBondContact O-N 3.23Å; H595-K598 VanDerWaalsContact O-N 3.16Å; H595-I599 WeakPolarHBondContact O-CG1 3.21Å; H595-I599 PolarHBondContact O-N 3Å
596T98.2Very high96.9Very high3 Ų330.6 Ų30.62%0.01815%0.152CC..Hα-helixtrans-62-38177.5-58.80000111.9P592 E593 K598 I599 I600 P613 Y682P592-T596 PolarHBondContact O-N 3.33Å; P592-T596 PolarHBondContact O-OG1 3Å; E593-T596 PolarHBondContact O-N 3.31Å; T596-K598 PolarHBondContact O-N 3.41Å; T596-I599 WeakPolarHBondContact O-CB 3.47Å; T596-I599 PolarHBondContact O-N 3.09Å; T596-I600 HydrophobicContact CG2-CD1 4.04Å; T596-I600 WeakPolarHBondContact O-CD1 3.16Å; T596-I600 VanDerWaalsContact O-CG1 3.31Å; T596-I600 WeakPolarHBondContact O-CG1 3.08Å; T596-I600 PolarHBondContact O-N 3.28Å; T596-P613 HydrophobicContact CG2-CG 3.88Å; T596-Y682 WeakPolarHBondContact CG2-O 3.25Å
597R98.1Very high96.8Very high18 Ų1830.8 Ų30.87%0.06815%0.154CC..Hα-helixtrans-59.7-41.7173.3-70.8-172.4-58176.34.8112.9A126 G129 D130 V156 E593 A594 H595 I600 K601 Y682A126-R597 WeakPolarHBondContact O-CD 3.05Å; A126-R597 PolarHBondContact O-NH1 2.85Å; G129-R597 PolarHBondContact O-NH1 3.49Å; D130-R597 VanDerWaalsContact CG-NH1 3.33Å; D130-R597 IonicContact OD1-CZ 2.95Å; D130-R597 IonicContact OD1-NH1 2.64Å; D130-R597 PolarHBondContact OD1-NH1 3.24Å; D130-R597 IonicContact OD1-NH2 2.77Å; D130-R597 PolarHBondContact OD1-NH2 3.41Å; D130-R597 IonicContact OD2-CZ 3.77Å; D130-R597 IonicContact OD2-NH1 2.98Å; D130-R597 PolarHBondContact OD2-NH1 3.35Å; D130-R597 IonicContact OD2-NH2 2.9Å; D130-R597 PolarHBondContact OD2-NH2 3.34Å; V156-R597 HydrophobicContact CG1-CB 4.21Å; V156-R597 HydrophobicContact CG2-CB 3.88Å; E593-R597 WeakPolarHBondContact O-CG 3.46Å; E593-R597 PolarHBondContact O-N 3.48Å; A594-R597 PolarHBondContact O-N 3.34Å; H595-R597 VanDerWaalsContact C-N 3.31Å; H595-R597 PolarHBondContact O-N 3.44Å; R597-I600 WeakPolarHBondContact O-CB 3.45Å; R597-I600 PolarHBondContact O-N 3.07Å; R597-K601 PolarHBondContact O-N 3.03Å; R597-Y682 HydrophobicContact CG-CD2 3.68Å; R597-Y682 HydrophobicContact CG-CE2 4.08Å; R597-Y682 HydrophobicContact CG-CG 4.3Å
598K98.4Very high96.8Very high65 Ų6529.6 Ų29.628%0.28315%0.148SC..Hα-helixtrans-64.7-41.1176-63.5-179.4-171.7-134.20112V156 D157 F569 A594 H595 T596 I600 K601 A602V156-K598 HydrophobicContact CG1-CB 4.36Å; V156-K598 HydrophobicContact CG1-CG 3.74Å; D157-K598 VanDerWaalsContact OD1-CD 3.28Å; D157-K598 WeakPolarHBondContact OD1-CD 3.41Å; D157-K598 WeakPolarHBondContact OD1-CE 3.12Å; D157-K598 IonicContact OD1-NZ 2.88Å; D157-K598 PolarHBondContact OD1-NZ 3.29Å; F569-K598 HydrophobicContact CE2-CB 3.97Å; F569-K598 HydrophobicContact CE2-CD 4.44Å; F569-K598 HydrophobicContact CZ-CB 4.42Å; F569-K598 HydrophobicContact CZ-CD 4.28Å; A594-K598 PolarHBondContact O-N 2.86Å; H595-K598 WeakPolarHBondContact O-CB 3.42Å; H595-K598 PolarHBondContact O-N 3.23Å; H595-K598 VanDerWaalsContact O-N 3.16Å; T596-K598 PolarHBondContact O-N 3.41Å; K598-I600 VanDerWaalsContact C-N 3.35Å; K598-K601 PolarHBondContact O-N 3.22Å; K598-A602 PolarHBondContact O-N 3.47Å
599I98.4Very high96.9Very high1 Ų129.4 Ų29.41%0.00515%0.145CC..Hα-helixtrans-60.4-45.7174.1-65.6168000110.4F569 T572 M573 M576 I586 H595 T596 A602 A603 L610F569-I599 HydrophobicContact CD2-CD1 3.85Å; F569-I599 HydrophobicContact CD2-CG1 3.71Å; F569-I599 HydrophobicContact CE2-CG1 3.99Å; T572-I599 HydrophobicContact CG2-CG2 3.71Å; M573-I599 HydrophobicContact SD-CG1 4.24Å; M576-I599 HydrophobicContact CE-CG2 4.31Å; I586-I599 HydrophobicContact CD1-CD1 4.49Å; I586-I599 HydrophobicContact CD1-CG2 4.13Å; H595-I599 WeakPolarHBondContact O-CG1 3.21Å; H595-I599 PolarHBondContact O-N 3Å; T596-I599 WeakPolarHBondContact O-CB 3.47Å; T596-I599 PolarHBondContact O-N 3.09Å; I599-A602 PolarHBondContact O-N 3.12Å; I599-A603 WeakPolarHBondContact O-CB 3.5Å; I599-A603 PolarHBondContact O-N 3.3Å; I599-L610 HydrophobicContact CG2-CD1 3.59Å; I599-L610 HydrophobicContact CG2-CD2 4.32Å
600I98.3Very high97.2Very high6 Ų626.6 Ų26.63%0.03113%0.132CC..Hα-helixtrans-58.7-51.3177.6-71.6159.1000110.8T596 R597 K598 A602 A603 D604 L610T596-I600 HydrophobicContact CG2-CD1 4.04Å; T596-I600 WeakPolarHBondContact O-CD1 3.16Å; T596-I600 VanDerWaalsContact O-CG1 3.31Å; T596-I600 WeakPolarHBondContact O-CG1 3.08Å; T596-I600 PolarHBondContact O-N 3.28Å; R597-I600 WeakPolarHBondContact O-CB 3.45Å; R597-I600 PolarHBondContact O-N 3.07Å; K598-I600 VanDerWaalsContact C-N 3.35Å; I600-A602 PolarHBondContact O-N 3.41Å; I600-A603 PolarHBondContact O-N 3.19Å; I600-A603 VanDerWaalsContact O-N 3.15Å; I600-D604 WeakPolarHBondContact O-CB 3.42Å; I600-D604 PolarHBondContact O-N 3.06Å; I600-L610 HydrophobicContact CG1-CD1 4.4Å
601K97.8Very high97.4Very high64 Ų6426.2 Ų26.228%0.27813%0.129SC..Hα-helixtrans-54.6-51.3179175.9176.3174.2-177.40111.4V156 R597 K598 A603 D604 E605V156-K601 HydrophobicContact CB-CD 4Å; V156-K601 HydrophobicContact CG1-CB 4.37Å; V156-K601 HydrophobicContact CG1-CD 4.17Å; V156-K601 WeakPolarHBondContact O-CD 3.41Å; V156-K601 PolarHBondContact O-NZ 2.87Å; R597-K601 PolarHBondContact O-N 3.03Å; K598-K601 PolarHBondContact O-N 3.22Å; K601-A603 VanDerWaalsContact C-N 3.31Å; K601-A603 PolarHBondContact O-N 2.77Å; K601-D604 PolarHBondContact O-N 2.86Å; K601-E605 WeakPolarHBondContact CE-OE1 3.21Å; K601-E605 WeakPolarHBondContact O-CG 3.35Å; K601-E605 PolarHBondContact O-N 3.24Å
602A97.7Very high97.5Very high11 Ų1126.1 Ų26.19%0.09113%0.128CC..Hα-helixtrans-63.5-35.3179.900000112.9M573 M576 K598 I599 I600 K606M573-A602 HydrophobicContact CE-CB 3.93Å; M573-A602 HydrophobicContact SD-CB 4.19Å; M576-A602 HydrophobicContact CE-CB 3.62Å; M576-A602 HydrophobicContact SD-CB 3.95Å; K598-A602 PolarHBondContact O-N 3.47Å; I599-A602 PolarHBondContact O-N 3.12Å; I600-A602 PolarHBondContact O-N 3.41Å; A602-K606 WeakPolarHBondContact O-CB 3.35Å; A602-K606 VanDerWaalsContact O-CG 3.29Å; A602-K606 WeakPolarHBondContact O-CG 3.48Å; A602-K606 PolarHBondContact O-N 2.65Å
603A97.4Very high97.5Very high0 Ų026.1 Ų26.10%013%0.128CC..Hα-helixtrans-72-38.3176.700000112.5M576 I599 I600 K601 K606 G607 V608 L610M576-A603 HydrophobicContact SD-CB 3.88Å; I599-A603 WeakPolarHBondContact O-CB 3.5Å; I599-A603 PolarHBondContact O-N 3.3Å; I600-A603 PolarHBondContact O-N 3.19Å; I600-A603 VanDerWaalsContact O-N 3.15Å; K601-A603 VanDerWaalsContact C-N 3.31Å; K601-A603 PolarHBondContact O-N 2.77Å; A603-K606 CarbonylContact O-C 3.56Å; A603-K606 PolarHBondContact O-N 2.87Å; A603-G607 WeakPolarHBondContact O-CA 3.3Å; A603-G607 PolarHBondContact O-N 2.98Å; A603-V608 HydrophobicContact CB-CB 4.21Å; A603-V608 PolarHBondContact O-N 3.13Å; A603-L610 HydrophobicContact CB-CD1 3.42Å; A603-L610 VanDerWaalsContact CB-CD1 3.42Å; A603-L610 HydrophobicContact CB-CD2 4.01Å; A603-L610 HydrophobicContact CB-CG 3.57Å
604D95.6Very high97.5Very high75 Ų7526.2 Ų26.240%0.40113%0.132SC..Hα-helixtrans-63.1-45.4174.8-72.3-16.5000110.8K478 I600 K601 K606 G607K478-D604 VanDerWaalsContact CE-OD1 3.23Å; K478-D604 WeakPolarHBondContact CE-OD1 3.22Å; K478-D604 IonicContact NZ-OD1 2.72Å; K478-D604 PolarHBondContact NZ-OD1 3.25Å; I600-D604 WeakPolarHBondContact O-CB 3.42Å; I600-D604 PolarHBondContact O-N 3.06Å; K601-D604 PolarHBondContact O-N 2.86Å; D604-K606 PolarHBondContact O-N 3.08Å; D604-G607 PolarHBondContact O-N 2.81Å
605E95.6Very high97.5Very high128 Ų12825.4 Ų25.460%0.59813%0.125SC*.Hα-helixtrans-60.3-33.1175.5-72.3172179.500112.8K601K601-E605 WeakPolarHBondContact CE-OE1 3.21Å; K601-E605 WeakPolarHBondContact O-CG 3.35Å; K601-E605 PolarHBondContact O-N 3.24Å
606K96.3Very high97.5Very high86 Ų8624.2 Ų24.237%0.37412%0.119SC..Hα-helixtrans-96.3-3.8-178.3-67.1176.5176.2-173.70114.1M576 R582 A602 A603 D604 V608M576-K606 VanDerWaalsContact C-NZ 3.32Å; M576-K606 HydrophobicContact CB-CD 3.89Å; M576-K606 VanDerWaalsContact O-CD 3.28Å; M576-K606 WeakPolarHBondContact O-CD 3.49Å; M576-K606 WeakPolarHBondContact O-CE 3.29Å; M576-K606 PolarHBondContact O-NZ 2.87Å; R582-K606 PolarHBondContact NH2-O 3.42Å; A602-K606 WeakPolarHBondContact O-CB 3.35Å; A602-K606 VanDerWaalsContact O-CG 3.29Å; A602-K606 WeakPolarHBondContact O-CG 3.48Å; A602-K606 PolarHBondContact O-N 2.65Å; A603-K606 CarbonylContact O-C 3.56Å; A603-K606 PolarHBondContact O-N 2.87Å; D604-K606 PolarHBondContact O-N 3.08Å; K606-V608 VanDerWaalsContact C-N 3.27Å; K606-V608 HydrophobicContact CB-CG2 4Å; K606-V608 PolarHBondContact O-N 3Å
607G96.1Very high97.5Very high3 Ų324 Ų243%0.03112%0.118CC..THydrogen-bonded Turntrans61.931-174.800000113.9R582 A603 D604R582-G607 PolarHBondContact NH2-O 3.46Å; A603-G607 WeakPolarHBondContact O-CA 3.3Å; A603-G607 PolarHBondContact O-N 2.98Å; D604-G607 PolarHBondContact O-N 2.81Å
608V97.8Very high97.5Very high5 Ų523.2 Ų23.23%0.0312%0.116CC..  trans-89136.1176.4176.80000109.2K478 I584 A603 K606 L610K478-V608 WeakPolarHBondContact CE-O 3.3Å; I584-V608 HydrophobicContact CD1-CG1 3.97Å; I584-V608 HydrophobicContact CG1-CG1 3.91Å; A603-V608 HydrophobicContact CB-CB 4.21Å; A603-V608 PolarHBondContact O-N 3.13Å; K606-V608 VanDerWaalsContact C-N 3.27Å; K606-V608 HydrophobicContact CB-CG2 4Å; K606-V608 PolarHBondContact O-N 3Å; V608-L610 HydrophobicContact CG1-CD2 4.36Å
609T98.4Very high97.5Very high9 Ų920.2 Ų20.26%0.05510%0.103CC..EExtended strand (participates in β ladder)trans-87.4131.5173.4-57.30000109.8L482 R582 T583 I584L482-T609 HydrophobicContact CD1-CG2 3.95Å; L482-T609 HydrophobicContact CD2-CG2 3.86Å; R582-T609 PolarHBondContact O-N 3.35Å; T583-T609 CarbonylContact C-O 3.6Å; T583-T609 VanDerWaalsContact CA-O 3.27Å; T583-T609 WeakPolarHBondContact CA-O 3.47Å; I584-T609 PolarHBondContact N-O 3.18Å
610L98.3Very high97.5Very high2 Ų220.8 Ų20.81%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-112.5120.6179-63.1176.3000109.5I584 I599 I600 A603 V608 G684 S685I584-L610 HydrophobicContact CB-CD2 3.9Å; I584-L610 HydrophobicContact CD1-CD2 4.3Å; I584-L610 HydrophobicContact CG1-CD2 4.47Å; I584-L610 CarbonylContact O-C 3.58Å; I584-L610 WeakPolarHBondContact O-CA 3.42Å; I599-L610 HydrophobicContact CG2-CD1 3.59Å; I599-L610 HydrophobicContact CG2-CD2 4.32Å; I600-L610 HydrophobicContact CG1-CD1 4.4Å; A603-L610 HydrophobicContact CB-CD1 3.42Å; A603-L610 VanDerWaalsContact CB-CD1 3.42Å; A603-L610 HydrophobicContact CB-CD2 4.01Å; A603-L610 HydrophobicContact CB-CG 3.57Å; V608-L610 HydrophobicContact CG1-CD2 4.36Å; L610-G684 CarbonylContact O-C 3.52Å; L610-S685 WeakPolarHBondContact O-CB 3.29Å; L610-S685 PolarHBondContact O-N 3.26Å; L610-S685 PolarHBondContact O-OG 3.09Å
611I98.6Very high97.6Very high0 Ų020.6 Ų20.60%010%0.104CC..EExtended strand (participates in β ladder)trans-104.4118.5171.1-60.9174.6000107.6L482 F483 T583 I584 A585 I586 T615 I626 V675 A676L482-I611 HydrophobicContact CD1-CD1 4.23Å; F483-I611 HydrophobicContact CE2-CD1 4.06Å; F483-I611 HydrophobicContact CZ-CD1 3.73Å; T583-I611 HydrophobicContact CG2-CD1 4.23Å; T583-I611 HydrophobicContact CG2-CG1 4.48Å; I584-I611 PolarHBondContact O-N 3.32Å; A585-I611 CarbonylContact C-O 3.5Å; A585-I611 VanDerWaalsContact CA-O 3.28Å; A585-I611 WeakPolarHBondContact CA-O 3.22Å; I586-I611 PolarHBondContact N-O 3.32Å; I611-T615 HydrophobicContact CG2-CG2 4.16Å; I611-I626 HydrophobicContact CD1-CD1 3.73Å; I611-V675 HydrophobicContact CD1-CG1 4.43Å; I611-V675 HydrophobicContact CG2-CG1 3.98Å; I611-A676 WeakPolarHBondContact CG2-O 3.14Å
612G97.3Very high97.6Very high0 Ų018.6 Ų18.60%010%0.102CC..  trans100-170.4-168.100000112.6I677 G684G612-I677 VanDerWaalsContact CA-O 3.3Å; G612-I677 WeakPolarHBondContact CA-O 3.43Å; G612-I677 PolarHBondContact N-O 3.02Å; G612-G684 WeakPolarHBondContact O-CA 3.34Å; G612-G684 PolarHBondContact O-N 3.42Å
613P97.7Very high97.6Very high1 Ų119.3 Ų19.31%0.00611%0.106CC..SBendcis-71.7-177.510-16.431.3000115.2I586 A588 I591 T596 T615 G678 D680I586-P613 HydrophobicContact CB-CB 4.21Å; I586-P613 HydrophobicContact CB-CG 4.31Å; I586-P613 HydrophobicContact CD1-CG 4.2Å; I586-P613 HydrophobicContact CG2-CB 3.8Å; I586-P613 HydrophobicContact CG2-CG 4.04Å; I586-P613 WeakPolarHBondContact O-CA 3.5Å; A588-P613 WeakPolarHBondContact O-CB 3.44Å; I591-P613 HydrophobicContact CD1-CB 3.81Å; I591-P613 HydrophobicContact CD1-CG 3.87Å; I591-P613 HydrophobicContact CG1-CB 4.44Å; T596-P613 HydrophobicContact CG2-CG 3.88Å; P613-T615 PolarHBondContact O-N 3.26Å; P613-G678 WeakPolarHBondContact O-CA 3.44Å; P613-D680 WeakPolarHBondContact CB-OD2 3.47Å
614A96.2Very high97.7Very high17 Ų1719.4 Ų19.414%0.1411%0.106CC..SBendtrans54.947-179.900000113.2A588 E589 G678 G679 D680A588-A614 WeakPolarHBondContact O-CA 3.45Å; A588-A614 PolarHBondContact O-N 3.13Å; E589-A614 HydrophobicContact CB-CB 3.88Å; E589-A614 HydrophobicContact CG-CB 3.88Å; A614-G678 WeakPolarHBondContact O-CA 3.28Å; A614-G679 PolarHBondContact O-N 2.78Å; A614-D680 VanDerWaalsContact CB-OD1 3.26Å; A614-D680 WeakPolarHBondContact CB-OD1 3.49Å
615T98Very high97.8Very high7 Ų716 Ų164%0.0439%0.088CC..  trans-128.9155.1-179-1730000112I586 I587 I611 P613 G617 A676I586-T615 WeakPolarHBondContact O-CG2 3.41Å; I587-T615 WeakPolarHBondContact CA-O 3.11Å; I587-T615 WeakPolarHBondContact CD1-O 3.43Å; I611-T615 HydrophobicContact CG2-CG2 4.16Å; P613-T615 PolarHBondContact O-N 3.26Å; T615-G617 VanDerWaalsContact C-N 3.31Å; T615-G617 PolarHBondContact OG1-N 3.14Å; T615-A676 WeakPolarHBondContact CB-O 3.47Å; T615-A676 WeakPolarHBondContact OG1-CB 3.45Å; T615-A676 PolarHBondContact OG1-O 2.73Å
616V96.8Very high98Very high7 Ų79.9 Ų9.94%0.0426%0.059CC..  trans-78.4-21.3163.372.10000112N346 F347 N628 T629 A676N346-V616 HydrophobicContact CB-CG2 3.67Å; F347-V616 HydrophobicContact CD1-CG2 4.12Å; F347-V616 HydrophobicContact CE1-CG2 4.22Å; V616-N628 HydrophobicContact CG2-CB 4.21Å; V616-T629 HydrophobicContact CG1-CG2 4.26Å; V616-T629 PolarHBondContact O-OG1 2.69Å; V616-A676 HydrophobicContact CG1-CB 4.23Å
617G98.4Very high98Very high0 Ų05.8 Ų5.80%04%0.042CC..  trans115.9-116.4-17800000112.8T615 A676T615-G617 VanDerWaalsContact C-N 3.31Å; T615-G617 PolarHBondContact OG1-N 3.14Å; G617-A676 PolarHBondContact O-N 3.19Å
618G98.5Very high98.2Very high1 Ų17.4 Ų7.41%0.015%0.049CC..EExtended strand (participates in β ladder)trans-177.9164.8-17200000111.7I626 T629 G674G618-I626 PolarHBondContact O-N 3.39Å; G618-T629 PolarHBondContact N-OG1 3.24Å; G618-T629 VanDerWaalsContact N-OG1 3.08Å; G618-T629 PolarHBondContact O-OG1 2.62Å; G618-G674 CarbonylContact C-O 3.51Å; G618-G674 WeakPolarHBondContact CA-O 3.3Å
619I98.8Very high98.2Very high1 Ų17.1 Ų7.11%0.0055%0.048CC..EExtended strand (participates in β ladder)trans-138.6133.5-177.9-169.8163.4000110.5F505 K625 T629 I636 L641 G674F505-I619 HydrophobicContact CD2-CD1 4.28Å; F505-I619 HydrophobicContact CE2-CD1 3.71Å; F505-I619 HydrophobicContact CE2-CG1 4.03Å; F505-I619 HydrophobicContact CZ-CD1 4.27Å; F505-I619 HydrophobicContact CZ-CG1 4.07Å; I619-K625 HydrophobicContact CB-CB 4.4Å; I619-K625 HydrophobicContact CD1-CB 4.14Å; I619-K625 HydrophobicContact CG1-CB 3.89Å; I619-T629 HydrophobicContact CB-CG2 3.92Å; I619-T629 HydrophobicContact CG2-CG2 4.14Å; I619-I636 HydrophobicContact CD1-CD1 3.9Å; I619-L641 HydrophobicContact CD1-CB 3.97Å; I619-L641 HydrophobicContact CD1-CD1 4.04Å; I619-L641 HydrophobicContact CD1-CG 4.42Å; I619-G674 PolarHBondContact N-O 2.94Å; I619-G674 PolarHBondContact O-N 3.38Å
620K98.8Very high98.1Very high13 Ų136.7 Ų6.76%0.0575%0.045CC..EExtended strand (participates in β ladder)trans-120.594.7169.8-169.8175.6-171.5154.80108F483 G622 C623 F624 E673F483-K620 HydrophobicContact CB-CD 4.07Å; F483-K620 VanDerWaalsContact O-CD 3.28Å; F483-K620 WeakPolarHBondContact O-CD 3.4Å; F483-K620 WeakPolarHBondContact O-CE 3.24Å; F483-K620 PolarHBondContact O-NZ 3.05Å; K620-G622 PolarHBondContact O-N 2.87Å; K620-C623 HydrophobicContact CB-CB 4.02Å; K620-C623 HydrophobicContact CD-CB 3.82Å; K620-C623 HydrophobicContact CG-CB 3.79Å; K620-C623 WeakPolarHBondContact O-CA 3.11Å; K620-C623 WeakPolarHBondContact O-CB 3.48Å; K620-C623 PolarHBondContact O-N 2.78Å; K620-F624 PolarHBondContact N-O 3.32Å; K620-F624 PolarHBondContact O-N 3.03Å; K620-E673 HydrophobicContact CB-CG 4.2Å; K620-E673 HydrophobicContact CD-CG 4.42Å; K620-E673 WeakPolarHBondContact CD-OE2 3.46Å; K620-E673 WeakPolarHBondContact CE-OE2 3.46Å; K620-E673 HydrophobicContact CG-CB 4.28Å; K620-E673 HydrophobicContact CG-CG 4.21Å; K620-E673 IonicContact NZ-OE2 3.92Å; K620-E673 PolarHBondContact NZ-OE2 3.37Å; K620-E673 VanDerWaalsContact NZ-OE2 3.1Å
621P98.8Very high98Very high2 Ų27 Ų71%0.0135%0.049CC..THydrogen-bonded Turntrans-48.4133.2-179.2-36.342.8000113.7C623 L641 R643 V671 F672P621-C623 PolarHBondContact O-N 3.18Å; P621-L641 WeakPolarHBondContact CA-O 3.2Å; P621-L641 WeakPolarHBondContact CB-O 3.25Å; P621-L641 HydrophobicContact CG-CB 4.4Å; P621-L641 HydrophobicContact CG-CD2 4.06Å; P621-R643 WeakPolarHBondContact CB-O 3.4Å; P621-V671 HydrophobicContact CG-CB 4.16Å; P621-V671 HydrophobicContact CG-CG1 4.26Å; P621-V671 WeakPolarHBondContact CG-O 3.49Å; P621-F672 WeakPolarHBondContact CD-O 3.49Å
622G97.6Very high97.8Very high22 Ų229.8 Ų9.823%0.2276%0.063CC..THydrogen-bonded Turntrans78.1-7.1-174.600000115.3C509 K620 Y642C509-G622 VanDerWaalsContact SG-CA 3.59Å; C509-G622 PolarHBondContact SG-N 2.96Å; C509-G622 VanDerWaalsContact SG-N 3.44Å; K620-G622 PolarHBondContact O-N 2.87Å; G622-Y642 WeakPolarHBondContact CA-O 3.22Å; G622-Y642 PolarHBondContact N-O 3.45Å
623C98.6Very high97.5Very high27 Ų2711.2 Ų11.218%0.1827%0.07CC..THydrogen-bonded Turntrans-122.4-66.5-174.2-70.50000113.3R511 K620 P621R511-C623 VanDerWaalsContact CD-O 3.31Å; R511-C623 WeakPolarHBondContact CD-O 3.22Å; R511-C623 PolarHBondContact NH1-O 3.31Å; K620-C623 HydrophobicContact CB-CB 4.02Å; K620-C623 HydrophobicContact CD-CB 3.82Å; K620-C623 HydrophobicContact CG-CB 3.79Å; K620-C623 WeakPolarHBondContact O-CA 3.11Å; K620-C623 WeakPolarHBondContact O-CB 3.48Å; K620-C623 PolarHBondContact O-N 2.78Å; P621-C623 PolarHBondContact O-N 3.18Å
624F98.8Very high97.2Very high1 Ų112.8 Ų12.80%0.0048%0.078CC..EExtended strand (participates in β ladder)trans-160.8145-170.2-177.1-109000110.6F483 T487 A489 M502 F505 V558 I560 K620 I626F483-F624 HydrophobicContact CB-CB 3.86Å; F483-F624 HydrophobicContact CB-CD1 4.21Å; F483-F624 HydrophobicContact CB-CG 4.39Å; F483-F624 AromaticContact CD1-CD1 3.51Å; F483-F624 HydrophobicContact CD1-CD1 3.51Å; F483-F624 AromaticContact CD1-CE1 3.89Å; F483-F624 HydrophobicContact CD1-CE1 3.89Å; F483-F624 HydrophobicContact CD1-CG 4.32Å; F483-F624 HydrophobicContact CD2-CD1 4.3Å; F483-F624 AromaticContact CE1-CD1 3.93Å; F483-F624 HydrophobicContact CE1-CD1 3.93Å; F483-F624 AromaticContact CE1-CE1 3.91Å; F483-F624 HydrophobicContact CE1-CE1 3.91Å; F483-F624 HydrophobicContact CG-CB 4.29Å; F483-F624 AromaticContact CG-CD1 3.73Å; F483-F624 HydrophobicContact CG-CD1 3.73Å; F483-F624 HydrophobicContact CG-CG 4.38Å; T487-F624 HydrophobicContact CG2-CD2 4.1Å; T487-F624 HydrophobicContact CG2-CE2 4.2Å; T487-F624 HydrophobicContact CG2-CG 4.27Å; T487-F624 HydrophobicContact CG2-CZ 4.44Å; A489-F624 HydrophobicContact CB-CE2 4.03Å; A489-F624 HydrophobicContact CB-CZ 3.89Å; M502-F624 HydrophobicContact CE-CE2 3.75Å; M502-F624 HydrophobicContact CE-CZ 3.92Å; F505-F624 VanDerWaalsContact CE1-C 3.46Å; V558-F624 HydrophobicContact CG1-CE1 4.24Å; V558-F624 HydrophobicContact CG1-CZ 4.1Å; I560-F624 HydrophobicContact CD1-CZ 4.03Å; K620-F624 PolarHBondContact N-O 3.32Å; K620-F624 PolarHBondContact O-N 3.03Å; F624-I626 HydrophobicContact CD1-CG1 4.19Å; F624-I626 HydrophobicContact CE1-CG1 3.6Å
625K98.8Very high97.2Very high4 Ų412.7 Ų12.72%0.0178%0.076CC..EExtended strand (participates in β ladder)trans-126139.7167.282.7173.7-168.3-175.70110.5G501 M502 F505 I619 G627 T629 G631G501-K625 VanDerWaalsContact C-NZ 3.32Å; G501-K625 WeakPolarHBondContact O-CE 3.31Å; G501-K625 PolarHBondContact O-NZ 3.32Å; M502-K625 WeakPolarHBondContact CE-O 3.49Å; M502-K625 HydrophobicContact CG-CG 4.07Å; F505-K625 HydrophobicContact CB-CD 3.55Å; F505-K625 HydrophobicContact CB-CG 4.06Å; F505-K625 HydrophobicContact CD1-CB 3.9Å; F505-K625 HydrophobicContact CD1-CD 4.12Å; F505-K625 HydrophobicContact CD1-CG 3.82Å; F505-K625 HydrophobicContact CD2-CB 4.45Å; F505-K625 HydrophobicContact CD2-CD 3.96Å; F505-K625 HydrophobicContact CD2-CG 4.47Å; F505-K625 HydrophobicContact CE1-CB 3.97Å; F505-K625 HydrophobicContact CE1-CG 4.4Å; F505-K625 HydrophobicContact CE2-CB 4.48Å; F505-K625 HydrophobicContact CG-CB 4.15Å; F505-K625 HydrophobicContact CG-CD 3.6Å; F505-K625 HydrophobicContact CG-CG 3.86Å; F505-K625 HydrophobicContact CZ-CB 4.25Å; I619-K625 HydrophobicContact CB-CB 4.4Å; I619-K625 HydrophobicContact CD1-CB 4.14Å; I619-K625 HydrophobicContact CG1-CB 3.89Å; K625-G627 WeakPolarHBondContact CE-O 3.16Å; K625-G627 PolarHBondContact O-N 2.96Å; K625-T629 WeakPolarHBondContact CD-O 3.42Å; K625-G631 PolarHBondContact NZ-O 2.81Å
626I98.8Very high97.2Very high0 Ų012.4 Ų12.40%07%0.074CC..  trans-84.1113.8175.9-64.1164.3000108.6F483 I560 A585 I587 I611 G618 F624 N628 T629F483-I626 HydrophobicContact CE2-CD1 4.11Å; F483-I626 HydrophobicContact CZ-CD1 3.7Å; F483-I626 HydrophobicContact CZ-CG1 4.28Å; I560-I626 HydrophobicContact CD1-CG2 4.11Å; I560-I626 HydrophobicContact CG1-CG2 4.2Å; I560-I626 HydrophobicContact CG2-CG2 3.92Å; A585-I626 HydrophobicContact CB-CD1 4.19Å; A585-I626 HydrophobicContact CB-CG2 3.59Å; I587-I626 HydrophobicContact CD1-CG2 4.31Å; I611-I626 HydrophobicContact CD1-CD1 3.73Å; G618-I626 PolarHBondContact O-N 3.39Å; F624-I626 HydrophobicContact CD1-CG1 4.19Å; F624-I626 HydrophobicContact CE1-CG1 3.6Å; I626-N628 PolarHBondContact O-N 3.43Å; I626-N628 VanDerWaalsContact O-N 3.13Å; I626-T629 WeakPolarHBondContact O-CB 3.32Å; I626-T629 PolarHBondContact O-N 3.23Å; I626-T629 VanDerWaalsContact O-N 3.09Å; I626-T629 PolarHBondContact O-OG1 2.68Å
627G98.1Very high97.2Very high0 Ų013.8 Ų13.80%08%0.081CC..THydrogen-bonded Turntrans53-116.7169.500000112.7M502 K625M502-G627 PolarHBondContact SD-N 2.9Å; M502-G627 VanDerWaalsContact SD-N 3.41Å; K625-G627 WeakPolarHBondContact CE-O 3.16Å; K625-G627 PolarHBondContact O-N 2.96Å
628N98.3Very high97Very high36 Ų3616.1 Ų16.119%0.19310%0.1CC..THydrogen-bonded Turntrans-88.41.5-173.2-65.3-46.5000114.8N346 F347 A498 V616 I626 G630 G631N346-N628 WeakPolarHBondContact CB-O 3.49Å; F347-N628 HydrophobicContact CB-CB 3.78Å; F347-N628 HydrophobicContact CD1-CB 4.06Å; F347-N628 HydrophobicContact CG-CB 4.26Å; A498-N628 WeakPolarHBondContact CA-OD1 3.08Å; A498-N628 VanDerWaalsContact CB-OD1 3.27Å; A498-N628 WeakPolarHBondContact CB-OD1 3.47Å; V616-N628 HydrophobicContact CG2-CB 4.21Å; I626-N628 PolarHBondContact O-N 3.43Å; I626-N628 VanDerWaalsContact O-N 3.13Å; N628-G630 PolarHBondContact O-N 2.73Å; N628-G631 WeakPolarHBondContact O-CA 3.16Å; N628-G631 PolarHBondContact O-N 2.78Å
629T98.6Very high96.9Very high0 Ų016.1 Ų16.10%010%0.1CC..THydrogen-bonded Turntrans-58.7133.1-174.4-520000111.4V616 G618 I619 K625 I626 G631V616-T629 HydrophobicContact CG1-CG2 4.26Å; V616-T629 PolarHBondContact O-OG1 2.69Å; G618-T629 PolarHBondContact N-OG1 3.24Å; G618-T629 VanDerWaalsContact N-OG1 3.08Å; G618-T629 PolarHBondContact O-OG1 2.62Å; I619-T629 HydrophobicContact CB-CG2 3.92Å; I619-T629 HydrophobicContact CG2-CG2 4.14Å; K625-T629 WeakPolarHBondContact CD-O 3.42Å; I626-T629 WeakPolarHBondContact O-CB 3.32Å; I626-T629 PolarHBondContact O-N 3.23Å; I626-T629 VanDerWaalsContact O-N 3.09Å; I626-T629 PolarHBondContact O-OG1 2.68Å; T629-G631 PolarHBondContact O-N 3.19Å
630G96.6Very high96.8Very high0 Ų019.9 Ų19.90%012%0.116CC..THydrogen-bonded Turntrans78.6-7.8-176.500000114.4N346 N628 N635N346-G630 PolarHBondContact OD1-N 3.18Å; N628-G630 PolarHBondContact O-N 2.73Å; G630-N635 PolarHBondContact O-ND2 3.35Å
631G95.9Very high96.8Very high9 Ų919.3 Ų19.39%0.09311%0.114CC..  trans67.8-142.7174.700000115.5N346 K625 N628 T629N346-G631 WeakPolarHBondContact O-CA 3.39Å; K625-G631 PolarHBondContact NZ-O 2.81Å; N628-G631 WeakPolarHBondContact O-CA 3.16Å; N628-G631 PolarHBondContact O-N 2.78Å; T629-G631 PolarHBondContact O-N 3.19Å
632M93.8Very high96.8Very high57 Ų5720.7 Ų20.728%0.28112%0.119SC..SBendtrans-70.3162.6-177.7-74179.271.200111.8P382 D634 N635 I636P382-M632 HydrophobicContact CB-CG 4.19Å; P382-M632 HydrophobicContact CB-SD 3.7Å; P382-M632 HydrophobicContact CG-CG 4.28Å; P382-M632 HydrophobicContact CG-SD 4.41Å; M632-D634 WeakPolarHBondContact CB-OD1 3.3Å; M632-D634 PolarHBondContact O-N 2.93Å; M632-N635 PolarHBondContact O-N 3.36Å; M632-N635 VanDerWaalsContact O-N 3.14Å; M632-I636 PolarHBondContact O-N 2.92Å
633L92.7Very high96.8Very high31 Ų3121.8 Ų21.816%0.16212%0.116CC..Hα-helixtrans-61.5-29.9-174.8-165.464.3000112.9D504 V508 N635 I636 L637 V811D504-L633 HydrophobicContact CB-CD1 4.27Å; V508-L633 HydrophobicContact CB-CD1 4.44Å; V508-L633 HydrophobicContact CG1-CD1 3.79Å; V508-L633 HydrophobicContact CG1-CD2 4.17Å; V508-L633 HydrophobicContact CG1-CG 4.48Å; V508-L633 HydrophobicContact CG2-CD1 3.81Å; L633-N635 VanDerWaalsContact C-N 3.33Å; L633-N635 PolarHBondContact O-N 3.02Å; L633-I636 HydrophobicContact CD1-CB 4.28Å; L633-I636 HydrophobicContact CD1-CG2 4.31Å; L633-I636 PolarHBondContact O-N 3.38Å; L633-L637 HydrophobicContact CG-CD1 4.15Å; L633-L637 HydrophobicContact CG-CG 4.32Å; L633-L637 WeakPolarHBondContact O-CB 3.38Å; L633-L637 VanDerWaalsContact O-CG 3.26Å; L633-L637 WeakPolarHBondContact O-CG 3.45Å; L633-L637 PolarHBondContact O-N 2.84Å; L633-V811 HydrophobicContact CD2-CB 3.68Å; L633-V811 HydrophobicContact CD2-CG1 4.32Å; L633-V811 HydrophobicContact CD2-CG2 3.89Å
634D91.1Very high96.7Very high33 Ų3323.3 Ų23.318%0.17613%0.127CC..Hα-helixtrans-56.8-44.8174.864.4-24.9000112.1T434 M632 L637 A638T434-D634 HydrophobicContact CG2-CB 4.39Å; M632-D634 WeakPolarHBondContact CB-OD1 3.3Å; M632-D634 PolarHBondContact O-N 2.93Å; D634-L637 PolarHBondContact O-N 2.94Å; D634-A638 WeakPolarHBondContact O-CB 3.35Å; D634-A638 PolarHBondContact O-N 3.44Å
635N96.3Very high96.7Very high16 Ų1623.6 Ų23.69%0.08613%0.13CC..Hα-helixtrans-75.2-35.4176.9-176.164000112.7G630 M632 L633 L637 A638 S639 N658G630-N635 PolarHBondContact O-ND2 3.35Å; M632-N635 PolarHBondContact O-N 3.36Å; M632-N635 VanDerWaalsContact O-N 3.14Å; L633-N635 VanDerWaalsContact C-N 3.33Å; L633-N635 PolarHBondContact O-N 3.02Å; N635-L637 VanDerWaalsContact C-N 3.26Å; N635-L637 PolarHBondContact O-N 3.14Å; N635-A638 PolarHBondContact O-N 2.82Å; N635-S639 WeakPolarHBondContact O-CB 3.5Å; N635-S639 PolarHBondContact O-N 2.84Å; N635-N658 PolarHBondContact ND2-ND2 3.5Å; N635-N658 PolarHBondContact ND2-OD1 3.3Å
636I97.6Very high96.7Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-57-43.6171.9-63.7-59.3000110.4F505 V508 I619 M632 L633 K640 L641F505-I636 HydrophobicContact CD2-CD1 4.12Å; F505-I636 HydrophobicContact CD2-CG1 4.47Å; F505-I636 HydrophobicContact CD2-CG2 3.93Å; V508-I636 HydrophobicContact CG2-CG2 4.18Å; I619-I636 HydrophobicContact CD1-CD1 3.9Å; M632-I636 PolarHBondContact O-N 2.92Å; L633-I636 HydrophobicContact CD1-CB 4.28Å; L633-I636 HydrophobicContact CD1-CG2 4.31Å; L633-I636 PolarHBondContact O-N 3.38Å; I636-K640 CarbonylContact O-C 3.6Å; I636-K640 WeakPolarHBondContact O-CA 3.32Å; I636-K640 PolarHBondContact O-N 3.04Å; I636-L641 HydrophobicContact CD1-CB 4.21Å; I636-L641 HydrophobicContact CD1-CD1 3.93Å; I636-L641 HydrophobicContact CG2-CB 4.17Å; I636-L641 PolarHBondContact O-N 3.06Å
637L95.6Very high96.7Very high36 Ų3624.1 Ų24.119%0.18813%0.134CC..Hα-helixtrans-73.1-45177.6-65.7171.7000111.8L633 D634 N635 S639 K640 Y642 P808L633-L637 HydrophobicContact CG-CD1 4.15Å; L633-L637 HydrophobicContact CG-CG 4.32Å; L633-L637 WeakPolarHBondContact O-CB 3.38Å; L633-L637 VanDerWaalsContact O-CG 3.26Å; L633-L637 WeakPolarHBondContact O-CG 3.45Å; L633-L637 PolarHBondContact O-N 2.84Å; D634-L637 PolarHBondContact O-N 2.94Å; N635-L637 VanDerWaalsContact C-N 3.26Å; N635-L637 PolarHBondContact O-N 3.14Å; L637-S639 PolarHBondContact O-N 2.82Å; L637-K640 WeakPolarHBondContact O-CA 3.3Å; L637-K640 PolarHBondContact O-N 2.69Å; L637-Y642 HydrophobicContact CD2-CD1 3.97Å; L637-Y642 HydrophobicContact CD2-CE1 4.26Å; L637-P808 HydrophobicContact CD2-CB 4.47Å; L637-P808 HydrophobicContact CD2-CG 3.68Å
638A94.2Very high96.7Very high49 Ų4924.1 Ų24.141%0.40513%0.134SC..Hα-helixtrans-62.2-41.8-178.500000112.8D634 N635 K640D634-A638 WeakPolarHBondContact O-CB 3.35Å; D634-A638 PolarHBondContact O-N 3.44Å; N635-A638 PolarHBondContact O-N 2.82Å; A638-K640 PolarHBondContact O-N 3.45Å
639S97.1Very high96.8Very high1 Ų122.4 Ų22.41%0.00713%0.125CC..THydrogen-bonded Turntrans-87.77.5175-610000112.8N635 L637 L641 S665N635-S639 WeakPolarHBondContact O-CB 3.5Å; N635-S639 PolarHBondContact O-N 2.84Å; L637-S639 PolarHBondContact O-N 2.82Å; S639-L641 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 3.31Å; S639-S665 WeakPolarHBondContact O-CB 3.4Å
640K97.9Very high96.8Very high80 Ų8022.4 Ų22.435%0.34813%0.125SC..THydrogen-bonded Turntrans49.544.5178.9-47.1-178.6173.6-174.40114I636 L637 A638 Y642 R643 E805I636-K640 CarbonylContact O-C 3.6Å; I636-K640 WeakPolarHBondContact O-CA 3.32Å; I636-K640 PolarHBondContact O-N 3.04Å; L637-K640 WeakPolarHBondContact O-CA 3.3Å; L637-K640 PolarHBondContact O-N 2.69Å; A638-K640 PolarHBondContact O-N 3.45Å; K640-Y642 VanDerWaalsContact C-N 3.26Å; K640-Y642 HydrophobicContact CB-CE1 4.16Å; K640-Y642 PolarHBondContact O-N 2.97Å; K640-R643 VanDerWaalsContact CD-NH2 3.28Å; K640-R643 WeakPolarHBondContact O-CD 3.49Å; K640-R643 PolarHBondContact O-NE 3.5Å; K640-R643 PolarHBondContact O-NH1 2.9Å; K640-E805 VanDerWaalsContact CD-OE1 3.26Å; K640-E805 WeakPolarHBondContact CD-OE1 3.41Å; K640-E805 IonicContact NZ-OE1 2.69Å; K640-E805 PolarHBondContact NZ-OE1 3.42Å
641L98.4Very high96.8Very high1 Ų122.4 Ų22.41%0.00513%0.126CC..THydrogen-bonded Turntrans-82.91.2-175.9-61.8168.2000113.3F505 I619 P621 I636 S639 R643 N661 V671F505-L641 VanDerWaalsContact CE2-O 3.28Å; F505-L641 WeakPolarHBondContact CE2-O 3.36Å; I619-L641 HydrophobicContact CD1-CB 3.97Å; I619-L641 HydrophobicContact CD1-CD1 4.04Å; I619-L641 HydrophobicContact CD1-CG 4.42Å; P621-L641 WeakPolarHBondContact CA-O 3.2Å; P621-L641 WeakPolarHBondContact CB-O 3.25Å; P621-L641 HydrophobicContact CG-CB 4.4Å; P621-L641 HydrophobicContact CG-CD2 4.06Å; I636-L641 HydrophobicContact CD1-CB 4.21Å; I636-L641 HydrophobicContact CD1-CD1 3.93Å; I636-L641 HydrophobicContact CG2-CB 4.17Å; I636-L641 PolarHBondContact O-N 3.06Å; S639-L641 VanDerWaalsContact C-N 3.29Å; S639-L641 PolarHBondContact O-N 3.31Å; L641-R643 VanDerWaalsContact C-N 3.31Å; L641-N661 HydrophobicContact CD1-CB 4.02Å; L641-N661 HydrophobicContact CD2-CB 4.09Å; L641-V671 HydrophobicContact CD2-CB 4.24Å; L641-V671 HydrophobicContact CD2-CG2 4.31Å
642Y97.8Very high96.7Very high31 Ų3123 Ų2312%0.12213%0.125CC..THydrogen-bonded Turntrans-78.7-14176.559.8-92.2000113.6C509 G622 L637 K640 P808C509-Y642 PolarHBondContact SG-O 3Å; G622-Y642 WeakPolarHBondContact CA-O 3.22Å; G622-Y642 PolarHBondContact N-O 3.45Å; L637-Y642 HydrophobicContact CD2-CD1 3.97Å; L637-Y642 HydrophobicContact CD2-CE1 4.26Å; K640-Y642 VanDerWaalsContact C-N 3.26Å; K640-Y642 HydrophobicContact CB-CE1 4.16Å; K640-Y642 PolarHBondContact O-N 2.97Å; Y642-P808 HydrophobicContact CD1-CB 4.31Å; Y642-P808 HydrophobicContact CD1-CG 4.06Å; Y642-P808 HydrophobicContact CD2-CB 3.65Å; Y642-P808 HydrophobicContact CD2-CG 4.03Å; Y642-P808 HydrophobicContact CE1-CG 3.89Å; Y642-P808 HydrophobicContact CE2-CB 3.88Å; Y642-P808 HydrophobicContact CE2-CG 3.85Å; Y642-P808 HydrophobicContact CG-CB 3.86Å; Y642-P808 HydrophobicContact CG-CG 4.12Å
643R97.8Very high96.6Very high46 Ų4620.6 Ų20.617%0.17411%0.114CC..SBendtrans-134.8148.5178.282.5-60.6179.1-87.4-6.9111.8P621 K640 L641 D669 E805P621-R643 WeakPolarHBondContact CB-O 3.4Å; K640-R643 VanDerWaalsContact CD-NH2 3.28Å; K640-R643 WeakPolarHBondContact O-CD 3.49Å; K640-R643 PolarHBondContact O-NE 3.5Å; K640-R643 PolarHBondContact O-NH1 2.9Å; L641-R643 VanDerWaalsContact C-N 3.31Å; R643-D669 PolarHBondContact NH1-O 3.46Å; R643-D669 VanDerWaalsContact NH1-O 3.13Å; R643-D669 PolarHBondContact NH2-O 2.88Å; R643-E805 IonicContact CZ-OE1 2.68Å; R643-E805 IonicContact CZ-OE2 3.8Å; R643-E805 IonicContact NE-OE1 2.78Å; R643-E805 PolarHBondContact NE-OE1 3.35Å; R643-E805 IonicContact NE-OE2 2.71Å; R643-E805 PolarHBondContact NE-OE2 3.12Å; R643-E805 IonicContact NH2-OE1 2.85Å; R643-E805 PolarHBondContact NH2-OE1 3.32Å; R643-E805 IonicContact NH2-OE2 3.59Å
644S97.6Very high96.6Very high58 Ų5819.7 Ų19.741%0.40611%0.112SC..  trans-76.4135.9-176-1560000112.1F672S644-F672 VanDerWaalsContact OG-CD2 3.24Å; S644-F672 WeakPolarHBondContact OG-CD2 3.39Å
645G98.1Very high96.7Very high7 Ų719 Ų197%0.07211%0.112CC..  trans-103.9-151.5165.600000111.7G670 V671 F672G645-G670 WeakPolarHBondContact CA-O 3.34Å; G645-V671 PolarHBondContact N-O 3.43Å; G645-F672 WeakPolarHBondContact O-CB 3.07Å; G645-F672 VanDerWaalsContact O-CD2 3.31Å; G645-F672 WeakPolarHBondContact O-CD2 3.29Å
646S98.6Very high96.7Very high15 Ų1518.2 Ų18.211%0.10511%0.108CC..SBendtrans-111.4-5.7-175.7-62.40000114.5D669 G670 K701S646-D669 VanDerWaalsContact CB-OD2 3.27Å; S646-D669 WeakPolarHBondContact CB-OD2 3.39Å; S646-D669 PolarHBondContact N-OD1 3.37Å; S646-D669 PolarHBondContact N-OD2 3.34Å; S646-D669 PolarHBondContact OG-OD2 3.35Å; S646-G670 PolarHBondContact N-O 2.81Å; S646-K701 PolarHBondContact O-N 2.87Å
647V98.8Very high96.7Very high0 Ų018.2 Ų18.20%011%0.108CC..EExtended strand (participates in β ladder)trans-101.2118.6-171.5-174.30000111I664 T668 G670 V671 F672 M702 V704V647-I664 HydrophobicContact CB-CG2 3.77Å; V647-I664 HydrophobicContact CG1-CD1 3.97Å; V647-I664 HydrophobicContact CG1-CG1 4.32Å; V647-I664 HydrophobicContact CG1-CG2 3.94Å; V647-I664 HydrophobicContact CG2-CG2 4.03Å; V647-T668 HydrophobicContact CG2-CG2 3.89Å; V647-G670 PolarHBondContact N-O 3.08Å; V647-V671 CarbonylContact O-C 3.53Å; V647-V671 WeakPolarHBondContact O-CA 3.38Å; V647-F672 PolarHBondContact O-N 3.3Å; V647-M702 HydrophobicContact CB-CG 4.28Å; V647-M702 HydrophobicContact CG1-CG 4.13Å; V647-M702 HydrophobicContact CG2-CG 3.77Å; V647-M702 HydrophobicContact CG2-SD 3.93Å; V647-V704 HydrophobicContact CG1-CG2 3.7Å
648A98.8Very high96.8Very high0 Ų016.5 Ų16.50%010%0.099CC..EExtended strand (participates in β ladder)trans-97.2145.3169.700000110.8E673 Y694 V700 M702 I703 V704A648-E673 CarbonylContact C-O 3.49Å; A648-E673 WeakPolarHBondContact CA-O 3.33Å; A648-E673 WeakPolarHBondContact CB-O 3.26Å; A648-Y694 HydrophobicContact CB-CD1 3.74Å; A648-Y694 HydrophobicContact CB-CD2 3.66Å; A648-Y694 HydrophobicContact CB-CE1 4Å; A648-Y694 HydrophobicContact CB-CE2 3.91Å; A648-Y694 HydrophobicContact CB-CG 3.56Å; A648-V700 HydrophobicContact CB-CB 4.34Å; A648-V700 HydrophobicContact CB-CG1 3.63Å; A648-V700 HydrophobicContact CB-CG2 3.72Å; A648-M702 PolarHBondContact N-O 3.41Å; A648-M702 VanDerWaalsContact N-O 3.08Å; A648-I703 CarbonylContact O-C 3.51Å; A648-I703 WeakPolarHBondContact O-CA 3.27Å; A648-V704 PolarHBondContact O-N 3.12Å
649Y98.9Very high97Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans-132.9155.7174.877-99.4000113.5S657 L660 N661 I664 V671 E673 G674 V675 Y694 V704Y649-S657 PolarHBondContact OH-O 3.35Å; Y649-L660 HydrophobicContact CD2-CD1 3.74Å; Y649-L660 HydrophobicContact CE2-CD1 4.27Å; Y649-L660 HydrophobicContact CG-CB 4.48Å; Y649-L660 HydrophobicContact CG-CD1 4.13Å; Y649-N661 VanDerWaalsContact CE1-OD1 3.26Å; Y649-N661 WeakPolarHBondContact CE1-OD1 3.5Å; Y649-N661 PolarHBondContact OH-OD1 3.11Å; Y649-I664 HydrophobicContact CD1-CD1 3.75Å; Y649-I664 HydrophobicContact CG-CD1 4.26Å; Y649-V671 HydrophobicContact CD1-CG1 4Å; Y649-V671 HydrophobicContact CD1-CG2 4.12Å; Y649-V671 HydrophobicContact CE1-CG1 3.83Å; Y649-V671 HydrophobicContact CE1-CG2 3.98Å; Y649-E673 PolarHBondContact N-O 2.87Å; Y649-G674 VanDerWaalsContact CE1-CA 3.41Å; Y649-G674 WeakPolarHBondContact O-CA 3.35Å; Y649-V675 PolarHBondContact O-N 3.48Å; Y649-V675 VanDerWaalsContact O-N 3.09Å; Y649-Y694 WeakPolarHBondContact O-CE2 3.48Å; Y649-Y694 PolarHBondContact O-OH 3.33Å; Y649-V704 CarbonylContact C-O 3.55Å; Y649-V704 WeakPolarHBondContact CA-O 3.45Å; Y649-V704 WeakPolarHBondContact CB-O 3.42Å
650V98.7Very high97.1Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans-136.4134.5168.960.90000110V675 I677 F687 H690 V691 Y694 V704 V705 L706V650-V675 WeakPolarHBondContact CA-O 3.39Å; V650-I677 HydrophobicContact CG2-CG2 3.53Å; V650-F687 HydrophobicContact CB-CD1 4.22Å; V650-F687 HydrophobicContact CG1-CD1 3.72Å; V650-F687 HydrophobicContact CG1-CE1 4.43Å; V650-F687 HydrophobicContact CG2-CD1 3.64Å; V650-F687 HydrophobicContact CG2-CE1 4.14Å; V650-H690 HydrophobicContact CB-CB 4.34Å; V650-H690 HydrophobicContact CG2-CB 4.13Å; V650-V691 HydrophobicContact CG1-CG2 3.87Å; V650-Y694 HydrophobicContact CB-CE2 4.13Å; V650-Y694 HydrophobicContact CG1-CE2 4.48Å; V650-V704 PolarHBondContact N-O 3.07Å; V650-V705 HydrophobicContact CG1-CB 4.49Å; V650-V705 HydrophobicContact CG1-CG1 4.32Å; V650-V705 HydrophobicContact CG1-CG2 3.99Å; V650-L706 PolarHBondContact O-N 2.67Å
651S97.8Very high97.1Very high1 Ų110.4 Ų10.41%0.0076%0.063CC..EExtended strand (participates in β ladder)trans-138.2155.8-178.2-176.50000111S653 V675 A676 I677S651-S653 PolarHBondContact OG-N 3.17Å; S651-V675 PolarHBondContact N-O 2.8Å; S651-A676 CarbonylContact O-C 3.6Å; S651-A676 WeakPolarHBondContact O-CA 3.45Å; S651-I677 PolarHBondContact O-N 3.35Å
652R93.1Very high97.1Very high21 Ų2111 Ų118%0.0797%0.067CC..SBendtrans-73.9-47.8164.4-92.4-175174.4-109.1-4.2112.2I677 G678 G679 D680 F687 E708R652-I677 HydrophobicContact CG-CD1 3.95Å; R652-I677 HydrophobicContact CG-CG1 3.93Å; R652-G678 CarbonylContact O-C 3.56Å; R652-G678 PolarHBondContact O-N 3.24Å; R652-G679 PolarHBondContact NH1-O 3.43Å; R652-D680 PolarHBondContact NH1-O 3.14Å; R652-F687 HydrophobicContact CB-CZ 4.35Å; R652-F687 HydrophobicContact CG-CE2 4.2Å; R652-F687 HydrophobicContact CG-CZ 3.74Å; R652-E708 WeakPolarHBondContact CB-OE2 3.32Å; R652-E708 WeakPolarHBondContact CD-OE2 3.21Å
653S91.9Very high97.2Very high6 Ų610 Ų104%0.0426%0.063CC..  trans-83.1124.4-171.2-172.60000113.1S651 G655 M656 S657S651-S653 PolarHBondContact OG-N 3.17Å; S653-G655 VanDerWaalsContact C-N 3.33Å; S653-G655 PolarHBondContact O-N 3.01Å; S653-G655 PolarHBondContact OG-N 3.29Å; S653-M656 PolarHBondContact O-N 2.85Å; S653-M656 PolarHBondContact OG-N 2.74Å; S653-S657 PolarHBondContact O-N 2.98Å
654G92Very high97.2Very high13 Ų137.8 Ų7.813%0.1346%0.055CC..Hα-helixtrans-60.9-39171.900000113.2N346 S657N346-G654 PolarHBondContact ND2-O 2.93Å; G654-S657 WeakPolarHBondContact O-CB 3.33Å; G654-S657 PolarHBondContact O-N 3.45Å; G654-S657 PolarHBondContact O-OG 2.98Å
655G92.8Very high97.2Very high17 Ų175.8 Ų5.818%0.1754%0.041CC..Hα-helixtrans-65-46.1176.500000112.3S343 S653 S657 N658 E659S343-G655 VanDerWaalsContact OG-C 3.28Å; S343-G655 PolarHBondContact OG-O 2.86Å; S653-G655 VanDerWaalsContact C-N 3.33Å; S653-G655 PolarHBondContact O-N 3.01Å; S653-G655 PolarHBondContact OG-N 3.29Å; G655-S657 VanDerWaalsContact C-N 3.28Å; G655-S657 PolarHBondContact O-N 3.25Å; G655-N658 PolarHBondContact O-N 3.35Å; G655-E659 PolarHBondContact O-N 2.84Å
656M97.2Very high97.2Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-69.1-27.5178.2-60.6-55.3-60.800112.7A284 V287 M411 S653 N658 E659 L660 L706 F780A284-M656 HydrophobicContact CB-SD 4.08Å; V287-M656 HydrophobicContact CG2-CE 4.18Å; M411-M656 HydrophobicContact CE-CE 3.65Å; M411-M656 HydrophobicContact CE-SD 3.95Å; M411-M656 HydrophobicContact SD-CE 4.05Å; M411-M656 HydrophobicContact SD-SD 3.9Å; S653-M656 PolarHBondContact O-N 2.85Å; S653-M656 PolarHBondContact OG-N 2.74Å; M656-N658 PolarHBondContact O-N 2.87Å; M656-E659 HydrophobicContact CE-CB 4.25Å; M656-E659 HydrophobicContact CE-CG 4.46Å; M656-E659 CarbonylContact O-C 3.44Å; M656-E659 PolarHBondContact O-N 2.83Å; M656-E659 VanDerWaalsContact O-N 3.13Å; M656-L660 WeakPolarHBondContact O-CG 3.45Å; M656-L660 PolarHBondContact O-N 3.2Å; M656-L706 HydrophobicContact CB-CD2 3.49Å; M656-L706 VanDerWaalsContact CB-CD2 3.49Å; M656-L706 HydrophobicContact CE-CD2 4.33Å; M656-L706 HydrophobicContact CG-CD2 4.13Å; M656-F780 HydrophobicContact CE-CD2 4.49Å; M656-F780 HydrophobicContact CE-CE1 3.86Å; M656-F780 HydrophobicContact CE-CE2 3.54Å; M656-F780 HydrophobicContact CE-CZ 3.16Å
657S98Very high97.1Very high1 Ų113.1 Ų13.11%0.0077%0.067CC..Hα-helixtrans-57.2-35.1172.881.60000112.5Y649 S653 G654 G655 L660 N661Y649-S657 PolarHBondContact OH-O 3.35Å; S653-S657 PolarHBondContact O-N 2.98Å; G654-S657 WeakPolarHBondContact O-CB 3.33Å; G654-S657 PolarHBondContact O-N 3.45Å; G654-S657 PolarHBondContact O-OG 2.98Å; G655-S657 VanDerWaalsContact C-N 3.28Å; G655-S657 PolarHBondContact O-N 3.25Å; S657-L660 WeakPolarHBondContact O-CB 3.09Å; S657-L660 PolarHBondContact O-N 2.81Å; S657-N661 PolarHBondContact O-N 2.78Å; S657-N661 PolarHBondContact O-ND2 2.77Å
658N98.1Very high97.1Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-82.2-27.6178.1-157.829.6000112.7I344 A345 N635 G655 M656 L660 N661 N662I344-N658 VanDerWaalsContact CG2-ND2 3.34Å; I344-N658 WeakPolarHBondContact CG2-ND2 3.47Å; I344-N658 WeakPolarHBondContact O-CB 3.46Å; I344-N658 PolarHBondContact O-ND2 2.89Å; A345-N658 PolarHBondContact O-ND2 2.83Å; N635-N658 PolarHBondContact ND2-ND2 3.5Å; N635-N658 PolarHBondContact ND2-OD1 3.3Å; G655-N658 PolarHBondContact O-N 3.35Å; M656-N658 PolarHBondContact O-N 2.87Å; N658-L660 VanDerWaalsContact C-N 3.34Å; N658-N661 WeakPolarHBondContact O-CB 3.48Å; N658-N661 PolarHBondContact O-N 3.43Å; N658-N661 PolarHBondContact OD1-ND2 2.76Å; N658-N662 PolarHBondContact O-N 3.42Å
659E98.3Very high97.1Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-66.5-37.8166.5-159.766.9-138.200111.1S343 I344 R378 M411 G655 M656 N662 I663S343-E659 VanDerWaalsContact CA-OE2 3.29Å; S343-E659 WeakPolarHBondContact CA-OE2 3.44Å; S343-E659 WeakPolarHBondContact CB-OE2 3.36Å; I344-E659 PolarHBondContact N-OE2 2.93Å; I344-E659 VanDerWaalsContact N-OE2 3.15Å; R378-E659 IonicContact CZ-OE1 2.63Å; R378-E659 IonicContact CZ-OE2 3.97Å; R378-E659 IonicContact NH1-OE1 2.78Å; R378-E659 IonicContact NH1-OE2 2.63Å; R378-E659 PolarHBondContact NH1-OE2 3.24Å; R378-E659 IonicContact NH2-OE1 3.07Å; R378-E659 PolarHBondContact NH2-OE1 3.41Å; R378-E659 IonicContact NH2-OE2 3.91Å; R378-E659 PolarHBondContact NH2-OE2 3.49Å; M411-E659 HydrophobicContact SD-CG 4.31Å; G655-E659 PolarHBondContact O-N 2.84Å; M656-E659 HydrophobicContact CE-CB 4.25Å; M656-E659 HydrophobicContact CE-CG 4.46Å; M656-E659 CarbonylContact O-C 3.44Å; M656-E659 PolarHBondContact O-N 2.83Å; M656-E659 VanDerWaalsContact O-N 3.13Å; E659-N662 WeakPolarHBondContact O-CB 3.5Å; E659-N662 PolarHBondContact O-N 3.03Å; E659-N662 PolarHBondContact OE1-ND2 2.89Å; E659-I663 HydrophobicContact CG-CD1 4.06Å; E659-I663 WeakPolarHBondContact O-CG1 3.34Å; E659-I663 PolarHBondContact O-N 2.85Å
660L98.6Very high97.1Very high1 Ų115.1 Ų15.11%0.0058%0.079CC..Hα-helixtrans-62.4-40.5172.9-72.7173.7000111.7Y649 M656 S657 N658 N662 I663 I664 V704 L706 L783Y649-L660 HydrophobicContact CD2-CD1 3.74Å; Y649-L660 HydrophobicContact CE2-CD1 4.27Å; Y649-L660 HydrophobicContact CG-CB 4.48Å; Y649-L660 HydrophobicContact CG-CD1 4.13Å; M656-L660 WeakPolarHBondContact O-CG 3.45Å; M656-L660 PolarHBondContact O-N 3.2Å; S657-L660 WeakPolarHBondContact O-CB 3.09Å; S657-L660 PolarHBondContact O-N 2.81Å; N658-L660 VanDerWaalsContact C-N 3.34Å; L660-N662 VanDerWaalsContact C-N 3.27Å; L660-N662 PolarHBondContact O-N 3.42Å; L660-I663 PolarHBondContact O-N 2.86Å; L660-I664 HydrophobicContact CB-CD1 4.24Å; L660-I664 WeakPolarHBondContact O-CB 3.32Å; L660-I664 WeakPolarHBondContact O-CG1 3.08Å; L660-I664 PolarHBondContact O-N 2.94Å; L660-V704 HydrophobicContact CD2-CG1 4.23Å; L660-L706 HydrophobicContact CD1-CB 3.99Å; L660-L706 HydrophobicContact CD1-CD2 4.1Å; L660-L706 HydrophobicContact CG-CD2 4.38Å; L660-L783 HydrophobicContact CD2-CD2 4Å
661N98.6Very high97.1Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-54-46.2171.9-70.7-32.3000111.5L641 Y649 S657 N658 S665L641-N661 HydrophobicContact CD1-CB 4.02Å; L641-N661 HydrophobicContact CD2-CB 4.09Å; Y649-N661 VanDerWaalsContact CE1-OD1 3.26Å; Y649-N661 WeakPolarHBondContact CE1-OD1 3.5Å; Y649-N661 PolarHBondContact OH-OD1 3.11Å; S657-N661 PolarHBondContact O-N 2.78Å; S657-N661 PolarHBondContact O-ND2 2.77Å; N658-N661 WeakPolarHBondContact O-CB 3.48Å; N658-N661 PolarHBondContact O-N 3.43Å; N658-N661 PolarHBondContact OD1-ND2 2.76Å; N661-S665 WeakPolarHBondContact O-CB 3.41Å; N661-S665 PolarHBondContact O-N 3.15Å; N661-S665 PolarHBondContact O-OG 3.41Å
662N98.3Very high97.1Very high14 Ų1416.7 Ų16.78%0.0759%0.085CC..Hα-helixtrans-67.5-45.6178.3176.357.8000112.4I344 N658 E659 L660 S665 R666I344-N662 HydrophobicContact CD1-CB 3.66Å; N658-N662 PolarHBondContact O-N 3.42Å; E659-N662 WeakPolarHBondContact O-CB 3.5Å; E659-N662 PolarHBondContact O-N 3.03Å; E659-N662 PolarHBondContact OE1-ND2 2.89Å; L660-N662 VanDerWaalsContact C-N 3.27Å; L660-N662 PolarHBondContact O-N 3.42Å; N662-S665 PolarHBondContact O-OG 3.24Å; N662-R666 VanDerWaalsContact O-CG 3.29Å; N662-R666 WeakPolarHBondContact O-CG 3.5Å; N662-R666 PolarHBondContact O-N 3.35Å; N662-R666 PolarHBondContact OD1-NE 2.78Å; N662-R666 PolarHBondContact OD1-NH2 3.46Å
663I98.3Very high97.4Very high9 Ų915.8 Ų15.85%0.0468%0.082CC..Hα-helixtrans-63.6-49.7179.4-67.2165.1000110.6E659 L660 R666 T667 F780 I787E659-I663 HydrophobicContact CG-CD1 4.06Å; E659-I663 WeakPolarHBondContact O-CG1 3.34Å; E659-I663 PolarHBondContact O-N 2.85Å; L660-I663 PolarHBondContact O-N 2.86Å; I663-R666 PolarHBondContact O-N 3.41Å; I663-T667 WeakPolarHBondContact O-CB 3.46Å; I663-T667 WeakPolarHBondContact O-CG2 3.38Å; I663-T667 PolarHBondContact O-N 2.87Å; I663-T667 PolarHBondContact O-OG1 2.86Å; I663-F780 HydrophobicContact CD1-CE1 4.34Å; I663-F780 HydrophobicContact CD1-CZ 3.97Å; I663-I787 HydrophobicContact CG2-CD1 4.19Å
664I98.8Very high97.7Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-64.4-43.6-177.7-67.5168.2000110.6V647 Y649 L660 R666 T667 T668 V671 V704 I787V647-I664 HydrophobicContact CB-CG2 3.77Å; V647-I664 HydrophobicContact CG1-CD1 3.97Å; V647-I664 HydrophobicContact CG1-CG1 4.32Å; V647-I664 HydrophobicContact CG1-CG2 3.94Å; V647-I664 HydrophobicContact CG2-CG2 4.03Å; Y649-I664 HydrophobicContact CD1-CD1 3.75Å; Y649-I664 HydrophobicContact CG-CD1 4.26Å; L660-I664 HydrophobicContact CB-CD1 4.24Å; L660-I664 WeakPolarHBondContact O-CB 3.32Å; L660-I664 WeakPolarHBondContact O-CG1 3.08Å; L660-I664 PolarHBondContact O-N 2.94Å; I664-R666 VanDerWaalsContact C-N 3.26Å; I664-R666 PolarHBondContact O-N 2.95Å; I664-T667 PolarHBondContact O-N 2.99Å; I664-T667 PolarHBondContact O-OG1 3.24Å; I664-T668 WeakPolarHBondContact CG2-OG1 3.38Å; I664-T668 WeakPolarHBondContact O-CB 3.4Å; I664-T668 PolarHBondContact O-N 2.84Å; I664-T668 PolarHBondContact O-OG1 3.12Å; I664-V671 HydrophobicContact CB-CG2 4.1Å; I664-V671 HydrophobicContact CD1-CG2 4.17Å; I664-V671 HydrophobicContact CG2-CG2 3.79Å; I664-V704 HydrophobicContact CD1-CG2 4.41Å; I664-I787 HydrophobicContact CG1-CD1 4.41Å
665S98.1Very high98.1Very high17 Ų1714.9 Ų14.912%0.1197%0.074CC..Hα-helixtrans-65.1-26.9179.462.30000113.9S639 N661 N662S639-S665 WeakPolarHBondContact O-CB 3.4Å; N661-S665 WeakPolarHBondContact O-CB 3.41Å; N661-S665 PolarHBondContact O-N 3.15Å; N661-S665 PolarHBondContact O-OG 3.41Å; N662-S665 PolarHBondContact O-OG 3.24Å
666R97.2Very high98.3Very high151 Ų15114 Ų1457%0.577%0.065SC*.Hα-helixtrans-82.9-22175.8-70.3175.6-174.6-92.31.5113.8N662 I663 I664N662-R666 VanDerWaalsContact O-CG 3.29Å; N662-R666 WeakPolarHBondContact O-CG 3.5Å; N662-R666 PolarHBondContact O-N 3.35Å; N662-R666 PolarHBondContact OD1-NE 2.78Å; N662-R666 PolarHBondContact OD1-NH2 3.46Å; I663-R666 PolarHBondContact O-N 3.41Å; I664-R666 VanDerWaalsContact C-N 3.26Å; I664-R666 PolarHBondContact O-N 2.95Å
667T97.9Very high98.4Very high25 Ų2514.1 Ų14.115%0.1537%0.066CC..Hα-helixtrans-112.6-13.6-169.853.10000114I663 I664 G784 K788I663-T667 WeakPolarHBondContact O-CB 3.46Å; I663-T667 WeakPolarHBondContact O-CG2 3.38Å; I663-T667 PolarHBondContact O-N 2.87Å; I663-T667 PolarHBondContact O-OG1 2.86Å; I664-T667 PolarHBondContact O-N 2.99Å; I664-T667 PolarHBondContact O-OG1 3.24Å; T667-G784 WeakPolarHBondContact CG2-O 3.46Å; T667-K788 HydrophobicContact CG2-CB 4.19Å
668T98.7Very high98.2Very high17 Ų1714.1 Ų14.110%0.1047%0.065CC..SBendtrans-142.2-173.2-173.4730000111.5V647 I664 G670 I787 Y791V647-T668 HydrophobicContact CG2-CG2 3.89Å; I664-T668 WeakPolarHBondContact CG2-OG1 3.38Å; I664-T668 WeakPolarHBondContact O-CB 3.4Å; I664-T668 PolarHBondContact O-N 2.84Å; I664-T668 PolarHBondContact O-OG1 3.12Å; T668-G670 PolarHBondContact O-N 2.77Å; T668-G670 PolarHBondContact OG1-N 2.98Å; T668-G670 VanDerWaalsContact OG1-N 3.12Å; T668-I787 HydrophobicContact CG2-CG2 3.56Å; T668-Y791 HydrophobicContact CG2-CD1 4.37Å; T668-Y791 HydrophobicContact CG2-CD2 3.84Å; T668-Y791 HydrophobicContact CG2-CG 3.71Å
669D98.1Very high97.9Very high25 Ų2514.2 Ų14.213%0.1347%0.067CC..SBendtrans-70.5-14.3170.756.7-0.9000113.7R643 S646 Y791R643-D669 PolarHBondContact NH1-O 3.46Å; R643-D669 VanDerWaalsContact NH1-O 3.13Å; R643-D669 PolarHBondContact NH2-O 2.88Å; S646-D669 VanDerWaalsContact CB-OD2 3.27Å; S646-D669 WeakPolarHBondContact CB-OD2 3.39Å; S646-D669 PolarHBondContact N-OD1 3.37Å; S646-D669 PolarHBondContact N-OD2 3.34Å; S646-D669 PolarHBondContact OG-OD2 3.35Å; D669-Y791 HydrophobicContact CB-CE2 4.13Å; D669-Y791 VanDerWaalsContact CB-OH 3.29Å; D669-Y791 WeakPolarHBondContact CB-OH 3.48Å; D669-Y791 PolarHBondContact N-OH 2.97Å; D669-Y791 WeakPolarHBondContact OD1-CE2 3.28Å
670G98.4Very high97.6Very high0 Ų014.8 Ų14.80%07%0.07CC..  trans120.9-174.4173.900000113.8G645 S646 V647 T668G645-G670 WeakPolarHBondContact CA-O 3.34Å; S646-G670 PolarHBondContact N-O 2.81Å; V647-G670 PolarHBondContact N-O 3.08Å; T668-G670 PolarHBondContact O-N 2.77Å; T668-G670 PolarHBondContact OG1-N 2.98Å; T668-G670 VanDerWaalsContact OG1-N 3.12Å
671V98.8Very high97.3Very high2 Ų218 Ų181%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-80.4133.3-175.1176.80000110.9P621 L641 G645 V647 Y649 I664P621-V671 HydrophobicContact CG-CB 4.16Å; P621-V671 HydrophobicContact CG-CG1 4.26Å; P621-V671 WeakPolarHBondContact CG-O 3.49Å; L641-V671 HydrophobicContact CD2-CB 4.24Å; L641-V671 HydrophobicContact CD2-CG2 4.31Å; G645-V671 PolarHBondContact N-O 3.43Å; V647-V671 CarbonylContact O-C 3.53Å; V647-V671 WeakPolarHBondContact O-CA 3.38Å; Y649-V671 HydrophobicContact CD1-CG1 4Å; Y649-V671 HydrophobicContact CD1-CG2 4.12Å; Y649-V671 HydrophobicContact CE1-CG1 3.83Å; Y649-V671 HydrophobicContact CE1-CG2 3.98Å; I664-V671 HydrophobicContact CB-CG2 4.1Å; I664-V671 HydrophobicContact CD1-CG2 4.17Å; I664-V671 HydrophobicContact CG2-CG2 3.79Å
672F98.8Very high97.2Very high31 Ų3118.9 Ų18.914%0.1369%0.085CC..EExtended strand (participates in β ladder)trans-85.2-53.5168.2-176.2-87000111.3P621 S644 G645 V647 T697 V700P621-F672 WeakPolarHBondContact CD-O 3.49Å; S644-F672 VanDerWaalsContact OG-CD2 3.24Å; S644-F672 WeakPolarHBondContact OG-CD2 3.39Å; G645-F672 WeakPolarHBondContact O-CB 3.07Å; G645-F672 VanDerWaalsContact O-CD2 3.31Å; G645-F672 WeakPolarHBondContact O-CD2 3.29Å; V647-F672 PolarHBondContact O-N 3.3Å; F672-T697 HydrophobicContact CE1-CG2 3.55Å; F672-T697 HydrophobicContact CZ-CG2 3.75Å; F672-V700 HydrophobicContact CB-CG2 4.38Å; F672-V700 HydrophobicContact CD1-CG2 3.43Å; F672-V700 VanDerWaalsContact CD1-CG2 3.43Å; F672-V700 HydrophobicContact CE1-CG2 3.88Å; F672-V700 HydrophobicContact CG-CG2 3.93Å
673E98.8Very high97.1Very high2 Ų218.5 Ų18.51%0.0098%0.083CC..EExtended strand (participates in β ladder)trans-154.5132.7176.4-170.7175.1134.800109.4K620 A648 Y649 R693 Y694K620-E673 HydrophobicContact CB-CG 4.2Å; K620-E673 HydrophobicContact CD-CG 4.42Å; K620-E673 WeakPolarHBondContact CD-OE2 3.46Å; K620-E673 WeakPolarHBondContact CE-OE2 3.46Å; K620-E673 HydrophobicContact CG-CB 4.28Å; K620-E673 HydrophobicContact CG-CG 4.21Å; K620-E673 IonicContact NZ-OE2 3.92Å; K620-E673 PolarHBondContact NZ-OE2 3.37Å; K620-E673 VanDerWaalsContact NZ-OE2 3.1Å; A648-E673 CarbonylContact C-O 3.49Å; A648-E673 WeakPolarHBondContact CA-O 3.33Å; A648-E673 WeakPolarHBondContact CB-O 3.26Å; Y649-E673 PolarHBondContact N-O 2.87Å; E673-R693 IonicContact OE1-CZ 3.11Å; E673-R693 VanDerWaalsContact OE1-CZ 3.3Å; E673-R693 IonicContact OE1-NH1 3.58Å; E673-R693 PolarHBondContact OE1-NH1 3.46Å; E673-R693 IonicContact OE1-NH2 3.79Å; E673-R693 PolarHBondContact OE1-NH2 2.89Å; E673-R693 IonicContact OE2-NH1 2.81Å; E673-Y694 HydrophobicContact CB-CE1 4.09Å; E673-Y694 HydrophobicContact CG-CE1 4.1Å
674G98.7Very high97Very high0 Ų018.1 Ų18.10%08%0.082CC..EExtended strand (participates in β ladder)trans-126.7130.5-178.400000111.3G618 I619 Y649G618-G674 CarbonylContact C-O 3.51Å; G618-G674 WeakPolarHBondContact CA-O 3.3Å; I619-G674 PolarHBondContact N-O 2.94Å; I619-G674 PolarHBondContact O-N 3.38Å; Y649-G674 VanDerWaalsContact CE1-CA 3.41Å; Y649-G674 WeakPolarHBondContact O-CA 3.35Å
675V98.8Very high96.9Very high0 Ų018.1 Ų18.10%08%0.082CC..EExtended strand (participates in β ladder)trans-128.7132.8178.7176.90000110.7I611 Y649 V650 S651 I677 Y694I611-V675 HydrophobicContact CD1-CG1 4.43Å; I611-V675 HydrophobicContact CG2-CG1 3.98Å; Y649-V675 PolarHBondContact O-N 3.48Å; Y649-V675 VanDerWaalsContact O-N 3.09Å; V650-V675 WeakPolarHBondContact CA-O 3.39Å; S651-V675 PolarHBondContact N-O 2.8Å; V675-I677 HydrophobicContact CG1-CG2 4.27Å; V675-Y694 WeakPolarHBondContact CG2-OH 2.96Å
676A98.5Very high96.8Very high0 Ų018 Ų180%08%0.08CC..EExtended strand (participates in β ladder)trans-97113.2162.300000108.5I611 T615 V616 G617 S651 G678I611-A676 WeakPolarHBondContact CG2-O 3.14Å; T615-A676 WeakPolarHBondContact CB-O 3.47Å; T615-A676 WeakPolarHBondContact OG1-CB 3.45Å; T615-A676 PolarHBondContact OG1-O 2.73Å; V616-A676 HydrophobicContact CG1-CB 4.23Å; G617-A676 PolarHBondContact O-N 3.19Å; S651-A676 CarbonylContact O-C 3.6Å; S651-A676 WeakPolarHBondContact O-CA 3.45Å; A676-G678 VanDerWaalsContact C-N 3.25Å; A676-G678 PolarHBondContact O-N 3.1Å
677I98Very high96.8Very high2 Ų210.9 Ų10.91%0.015%0.054CC..  trans-72.9-21.7-177.463.4175.3000112.8G612 V650 S651 R652 V675 P683 S685 F687G612-I677 VanDerWaalsContact CA-O 3.3Å; G612-I677 WeakPolarHBondContact CA-O 3.43Å; G612-I677 PolarHBondContact N-O 3.02Å; V650-I677 HydrophobicContact CG2-CG2 3.53Å; S651-I677 PolarHBondContact O-N 3.35Å; R652-I677 HydrophobicContact CG-CD1 3.95Å; R652-I677 HydrophobicContact CG-CG1 3.93Å; V675-I677 HydrophobicContact CG1-CG2 4.27Å; I677-P683 HydrophobicContact CB-CB 4.24Å; I677-P683 HydrophobicContact CD1-CB 4.44Å; I677-P683 HydrophobicContact CD1-CG 4.03Å; I677-P683 HydrophobicContact CG1-CB 4.36Å; I677-P683 HydrophobicContact CG1-CG 4.48Å; I677-P683 WeakPolarHBondContact O-CB 3.44Å; I677-S685 WeakPolarHBondContact CB-O 3.26Å; I677-F687 HydrophobicContact CD1-CD1 3.84Å; I677-F687 HydrophobicContact CD1-CD2 4.03Å; I677-F687 HydrophobicContact CD1-CE1 3.81Å; I677-F687 HydrophobicContact CD1-CE2 4Å; I677-F687 HydrophobicContact CD1-CG 3.95Å; I677-F687 HydrophobicContact CD1-CZ 3.89Å; I677-F687 HydrophobicContact CG1-CE1 4.38Å
678G95.6Very high96.8Very high0 Ų010.4 Ų10.40%05%0.051CC..  trans106.9157.2179.900000114P613 A614 R652 A676P613-G678 WeakPolarHBondContact O-CA 3.44Å; A614-G678 WeakPolarHBondContact O-CA 3.28Å; R652-G678 CarbonylContact O-C 3.56Å; R652-G678 PolarHBondContact O-N 3.24Å; A676-G678 VanDerWaalsContact C-N 3.25Å; A676-G678 PolarHBondContact O-N 3.1Å
679G90.7Very high96.7Very high3 Ų312.6 Ų12.63%0.0316%0.062CC..SBendtrans-83.8-10.3-175.500000115.2A614 R652 H750 A751 G752A614-G679 PolarHBondContact O-N 2.78Å; R652-G679 PolarHBondContact NH1-O 3.43Å; G679-H750 WeakPolarHBondContact O-CB 3.42Å; G679-A751 PolarHBondContact O-N 3.5Å; G679-G752 PolarHBondContact O-N 3.21Å; G679-G752 VanDerWaalsContact O-N 3.17Å
680D92.4Very high96.7Very high12 Ų1211.4 Ų11.46%0.0646%0.056CC..SBendtrans-63.6160.3-178.4-80.45.1000112.4P613 A614 R652 Y682P613-D680 WeakPolarHBondContact CB-OD2 3.47Å; A614-D680 VanDerWaalsContact CB-OD1 3.26Å; A614-D680 WeakPolarHBondContact CB-OD1 3.49Å; R652-D680 PolarHBondContact NH1-O 3.14Å; D680-Y682 VanDerWaalsContact C-N 3.34Å; D680-Y682 PolarHBondContact O-N 2.84Å
681R92.5Very high96.7Very high69 Ų6911.4 Ų11.426%0.266%0.056SC..SBendtrans-62.5-43.2-179.2-169.8-179.3-176.7174.1-3.3111.8E593 P683E593-R681 HydrophobicContact CG-CB 4.31Å; E593-R681 IonicContact OE1-NH1 3.79Å; E593-R681 WeakPolarHBondContact OE2-CD 3.1Å; E593-R681 IonicContact OE2-CZ 2.73Å; E593-R681 IonicContact OE2-NE 3.28Å; E593-R681 IonicContact OE2-NH1 3.52Å; E593-R681 PolarHBondContact OE2-NH1 2.92Å; E593-R681 VanDerWaalsContact OE2-NH1 3.09Å; R681-P683 WeakPolarHBondContact O-CD 3.45Å
682Y95.6Very high96.6Very high18 Ų1813.5 Ų13.57%0.0717%0.066CC..SBendtrans-115.684.2179.3-51.5-55000110.2A125 R127 E593 T596 R597 D680A125-Y682 PolarHBondContact O-OH 2.92Å; R127-Y682 HydrophobicContact CB-CD1 3.82Å; R127-Y682 HydrophobicContact CB-CE1 4.08Å; R127-Y682 HydrophobicContact CG-CD1 4.27Å; E593-Y682 HydrophobicContact CB-CD2 4.17Å; E593-Y682 HydrophobicContact CB-CE2 4.06Å; T596-Y682 WeakPolarHBondContact CG2-O 3.25Å; R597-Y682 HydrophobicContact CG-CD2 3.68Å; R597-Y682 HydrophobicContact CG-CE2 4.08Å; R597-Y682 HydrophobicContact CG-CG 4.3Å; D680-Y682 VanDerWaalsContact C-N 3.34Å; D680-Y682 PolarHBondContact O-N 2.84Å
683P95.6Very high96.6Very high5 Ų513 Ų133%0.0326%0.063CC..  trans-66.8146.3176.228.6-34.5000110.5R127 I677 R681 S685 V686R127-P683 PolarHBondContact NH1-O 3.31Å; R127-P683 PolarHBondContact NH2-O 3.4Å; R127-P683 VanDerWaalsContact NH2-O 3.07Å; I677-P683 HydrophobicContact CB-CB 4.24Å; I677-P683 HydrophobicContact CD1-CB 4.44Å; I677-P683 HydrophobicContact CD1-CG 4.03Å; I677-P683 HydrophobicContact CG1-CB 4.36Å; I677-P683 HydrophobicContact CG1-CG 4.48Å; I677-P683 WeakPolarHBondContact O-CB 3.44Å; R681-P683 WeakPolarHBondContact O-CD 3.45Å; P683-S685 VanDerWaalsContact C-N 3.3Å; P683-S685 WeakPolarHBondContact CB-O 3.41Å; P683-S685 PolarHBondContact O-N 3.38Å; P683-V686 HydrophobicContact CG-CG1 4.19Å
684G96.3Very high96.6Very high1 Ų112.9 Ų12.91%0.016%0.063CC..SBendtrans-55-45-17800000112.9R127 L610 G612R127-G684 PolarHBondContact NH2-O 3.01Å; L610-G684 CarbonylContact O-C 3.52Å; G612-G684 WeakPolarHBondContact O-CA 3.34Å; G612-G684 PolarHBondContact O-N 3.42Å
685S96.8Very high96.5Very high1 Ų114.1 Ų14.11%0.0077%0.069CC..SBendtrans-118.3141.116857.30000110.2L610 I677 P683 D689 H690L610-S685 WeakPolarHBondContact O-CB 3.29Å; L610-S685 PolarHBondContact O-N 3.26Å; L610-S685 PolarHBondContact O-OG 3.09Å; I677-S685 WeakPolarHBondContact CB-O 3.26Å; P683-S685 VanDerWaalsContact C-N 3.3Å; P683-S685 WeakPolarHBondContact CB-O 3.41Å; P683-S685 PolarHBondContact O-N 3.38Å; S685-D689 WeakPolarHBondContact CA-OD2 3.3Å; S685-H690 VanDerWaalsContact CB-NE2 3.3Å; S685-H690 WeakPolarHBondContact CB-NE2 3.49Å; S685-H690 PolarHBondContact OG-CE1 3.11Å; S685-H690 PolarHBondContact OG-NE2 3.02Å
686V97.1Very high96.5Very high14 Ų1418 Ų189%0.0859%0.089CC..  trans-100.7172.4-175.1-63.20000111.9P683 T688 D689 H690 E713P683-V686 HydrophobicContact CG-CG1 4.19Å; V686-T688 VanDerWaalsContact C-N 3.3Å; V686-T688 PolarHBondContact O-N 3.44Å; V686-D689 HydrophobicContact CG2-CB 4.41Å; V686-D689 WeakPolarHBondContact CG2-OD2 3.48Å; V686-D689 PolarHBondContact N-OD2 2.87Å; V686-D689 WeakPolarHBondContact O-CB 3.33Å; V686-D689 PolarHBondContact O-N 2.96Å; V686-H690 PolarHBondContact O-CD2 2.95Å; V686-H690 VanDerWaalsContact O-CD2 3.31Å; V686-E713 HydrophobicContact CB-CG 4.04Å; V686-E713 WeakPolarHBondContact CB-OE1 3.41Å; V686-E713 WeakPolarHBondContact CG2-OE1 3.41Å
687F97.4Very high96.4Very high1 Ų118.6 Ų18.60%0.0049%0.093CC..Hα-helixtrans-54.8-46.6179.2-70.1-62.8000112.2V650 R652 I677 D689 H690 V691 V705 L706 E713 E714 I717V650-F687 HydrophobicContact CB-CD1 4.22Å; V650-F687 HydrophobicContact CG1-CD1 3.72Å; V650-F687 HydrophobicContact CG1-CE1 4.43Å; V650-F687 HydrophobicContact CG2-CD1 3.64Å; V650-F687 HydrophobicContact CG2-CE1 4.14Å; R652-F687 HydrophobicContact CB-CZ 4.35Å; R652-F687 HydrophobicContact CG-CE2 4.2Å; R652-F687 HydrophobicContact CG-CZ 3.74Å; I677-F687 HydrophobicContact CD1-CD1 3.84Å; I677-F687 HydrophobicContact CD1-CD2 4.03Å; I677-F687 HydrophobicContact CD1-CE1 3.81Å; I677-F687 HydrophobicContact CD1-CE2 4Å; I677-F687 HydrophobicContact CD1-CG 3.95Å; I677-F687 HydrophobicContact CD1-CZ 3.89Å; I677-F687 HydrophobicContact CG1-CE1 4.38Å; F687-D689 VanDerWaalsContact C-N 3.28Å; F687-D689 PolarHBondContact O-N 2.98Å; F687-H690 PolarHBondContact O-N 3.25Å; F687-V691 VanDerWaalsContact O-CG2 3.28Å; F687-V691 WeakPolarHBondContact O-CG2 3.37Å; F687-V691 PolarHBondContact O-N 2.77Å; F687-V705 HydrophobicContact CD1-CG1 4.16Å; F687-V705 HydrophobicContact CE1-CG1 4.37Å; F687-L706 WeakPolarHBondContact CZ-O 3.43Å; F687-E713 HydrophobicContact CB-CG 3.91Å; F687-E713 HydrophobicContact CD2-CB 4.26Å; F687-E713 HydrophobicContact CD2-CG 3.82Å; F687-E713 HydrophobicContact CG-CG 4.32Å; F687-E714 HydrophobicContact CD2-CG 4.35Å; F687-E714 HydrophobicContact CE2-CG 4.41Å; F687-I717 HydrophobicContact CB-CD1 3.99Å
688T96.6Very high96.4Very high16 Ų1623.6 Ų23.610%0.09813%0.126CC..Hα-helixtrans-61.8-36.8-177.1-53.40000111.7V686 H690 V691 L692 E713 K716V686-T688 VanDerWaalsContact C-N 3.3Å; V686-T688 PolarHBondContact O-N 3.44Å; T688-H690 PolarHBondContact O-N 2.95Å; T688-V691 PolarHBondContact O-N 2.9Å; T688-L692 HydrophobicContact CG2-CD1 3.83Å; T688-L692 HydrophobicContact CG2-CG 4.01Å; T688-L692 WeakPolarHBondContact O-CB 3.5Å; T688-L692 WeakPolarHBondContact O-CG 3.36Å; T688-L692 PolarHBondContact O-N 2.75Å; T688-E713 WeakPolarHBondContact CB-OE1 3.25Å; T688-E713 PolarHBondContact N-OE1 3.49Å; T688-E713 PolarHBondContact OG1-OE1 3.08Å; T688-K716 HydrophobicContact CG2-CB 4.44Å; T688-K716 WeakPolarHBondContact OG1-CB 3.32Å
689D97.1Very high96.5Very high62 Ų6224.9 Ų24.933%0.33214%0.139SC..Hα-helixtrans-56.1-51177.5-62.3-22000110.7S685 V686 F687 R693S685-D689 WeakPolarHBondContact CA-OD2 3.3Å; V686-D689 HydrophobicContact CG2-CB 4.41Å; V686-D689 WeakPolarHBondContact CG2-OD2 3.48Å; V686-D689 PolarHBondContact N-OD2 2.87Å; V686-D689 WeakPolarHBondContact O-CB 3.33Å; V686-D689 PolarHBondContact O-N 2.96Å; F687-D689 VanDerWaalsContact C-N 3.28Å; F687-D689 PolarHBondContact O-N 2.98Å; D689-R693 WeakPolarHBondContact O-CG 3.36Å; D689-R693 PolarHBondContact O-N 3.3Å; D689-R693 VanDerWaalsContact O-N 3.15Å
690H98.3Very high96.9Very high1 Ų124.8 Ų24.81%0.00514%0.138CC..Hα-helixtrans-73.5-37.5-179.1-59.8-76.9000112.7V650 S685 V686 F687 T688 L692 R693 Y694V650-H690 HydrophobicContact CB-CB 4.34Å; V650-H690 HydrophobicContact CG2-CB 4.13Å; S685-H690 VanDerWaalsContact CB-NE2 3.3Å; S685-H690 WeakPolarHBondContact CB-NE2 3.49Å; S685-H690 PolarHBondContact OG-CE1 3.11Å; S685-H690 PolarHBondContact OG-NE2 3.02Å; V686-H690 PolarHBondContact O-CD2 2.95Å; V686-H690 VanDerWaalsContact O-CD2 3.31Å; F687-H690 PolarHBondContact O-N 3.25Å; T688-H690 PolarHBondContact O-N 2.95Å; H690-L692 VanDerWaalsContact C-N 3.29Å; H690-L692 PolarHBondContact O-N 2.94Å; H690-R693 PolarHBondContact ND1-NE 2.75Å; H690-R693 PolarHBondContact ND1-NH2 2.78Å; H690-R693 WeakPolarHBondContact O-CB 3.47Å; H690-R693 PolarHBondContact O-N 2.87Å; H690-Y694 HydrophobicContact CB-CE2 4.01Å; H690-Y694 WeakPolarHBondContact O-CB 3.48Å; H690-Y694 WeakPolarHBondContact O-CD1 3.38Å; H690-Y694 WeakPolarHBondContact O-CD2 3.49Å; H690-Y694 PolarHBondContact O-N 3.01Å
691V98.3Very high97.2Very high0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-61.7-39.3176.6173.50000111V650 F687 T688 Y694 Q695 I703 V705 I717 I726V650-V691 HydrophobicContact CG1-CG2 3.87Å; F687-V691 VanDerWaalsContact O-CG2 3.28Å; F687-V691 WeakPolarHBondContact O-CG2 3.37Å; F687-V691 PolarHBondContact O-N 2.77Å; T688-V691 PolarHBondContact O-N 2.9Å; V691-Y694 PolarHBondContact O-N 2.96Å; V691-Q695 WeakPolarHBondContact O-CB 3.35Å; V691-Q695 PolarHBondContact O-N 3.45Å; V691-I703 HydrophobicContact CG1-CD1 4.14Å; V691-I703 HydrophobicContact CG2-CG2 4.24Å; V691-V705 HydrophobicContact CG2-CG2 3.85Å; V691-I717 HydrophobicContact CG2-CD1 4.09Å; V691-I717 HydrophobicContact CG2-CG1 4.46Å; V691-I726 HydrophobicContact CG1-CD1 3.51Å; V691-I726 HydrophobicContact CG1-CG1 4.21Å
692L97.8Very high97.5Very high46 Ų4624.1 Ų24.124%0.24114%0.136CC..Hα-helixtrans-66.4-42.8174.5-68.3175.9000111.8T688 H690 Y694 Q695 D696 R725 I726T688-L692 HydrophobicContact CG2-CD1 3.83Å; T688-L692 HydrophobicContact CG2-CG 4.01Å; T688-L692 WeakPolarHBondContact O-CB 3.5Å; T688-L692 WeakPolarHBondContact O-CG 3.36Å; T688-L692 PolarHBondContact O-N 2.75Å; H690-L692 VanDerWaalsContact C-N 3.29Å; H690-L692 PolarHBondContact O-N 2.94Å; L692-Y694 VanDerWaalsContact C-N 3.28Å; L692-Y694 PolarHBondContact O-N 2.69Å; L692-Q695 WeakPolarHBondContact O-CB 3.46Å; L692-Q695 PolarHBondContact O-N 2.6Å; L692-D696 PolarHBondContact O-N 3.18Å; L692-R725 HydrophobicContact CD2-CG 3.68Å; L692-I726 HydrophobicContact CD2-CG1 4.41Å
693R98Very high97.6Very high19 Ų1923.3 Ų23.37%0.07213%0.133CC..Hα-helixtrans-57.4-43.4171.9-66.2-175.3-45.4103.23.1111.7S480 E673 D689 H690 D696 T697S480-R693 WeakPolarHBondContact O-CD 3.26Å; S480-R693 PolarHBondContact O-NH1 3.29Å; E673-R693 IonicContact OE1-CZ 3.11Å; E673-R693 VanDerWaalsContact OE1-CZ 3.3Å; E673-R693 IonicContact OE1-NH1 3.58Å; E673-R693 PolarHBondContact OE1-NH1 3.46Å; E673-R693 IonicContact OE1-NH2 3.79Å; E673-R693 PolarHBondContact OE1-NH2 2.89Å; E673-R693 IonicContact OE2-NH1 2.81Å; D689-R693 WeakPolarHBondContact O-CG 3.36Å; D689-R693 PolarHBondContact O-N 3.3Å; D689-R693 VanDerWaalsContact O-N 3.15Å; H690-R693 PolarHBondContact ND1-NE 2.75Å; H690-R693 PolarHBondContact ND1-NH2 2.78Å; H690-R693 WeakPolarHBondContact O-CB 3.47Å; H690-R693 PolarHBondContact O-N 2.87Å; R693-D696 CarbonylContact O-C 3.38Å; R693-D696 PolarHBondContact O-N 3.48Å; R693-T697 WeakPolarHBondContact O-CB 3.41Å; R693-T697 PolarHBondContact O-N 2.78Å; R693-T697 PolarHBondContact O-OG1 3.48Å
694Y98.6Very high97.8Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-67.2-39.5179.6-62-23.1000112.2A648 Y649 V650 E673 V675 H690 V691 L692 D696 T697 V700 I703 K728A648-Y694 HydrophobicContact CB-CD1 3.74Å; A648-Y694 HydrophobicContact CB-CD2 3.66Å; A648-Y694 HydrophobicContact CB-CE1 4Å; A648-Y694 HydrophobicContact CB-CE2 3.91Å; A648-Y694 HydrophobicContact CB-CG 3.56Å; Y649-Y694 WeakPolarHBondContact O-CE2 3.48Å; Y649-Y694 PolarHBondContact O-OH 3.33Å; V650-Y694 HydrophobicContact CB-CE2 4.13Å; V650-Y694 HydrophobicContact CG1-CE2 4.48Å; E673-Y694 HydrophobicContact CB-CE1 4.09Å; E673-Y694 HydrophobicContact CG-CE1 4.1Å; V675-Y694 WeakPolarHBondContact CG2-OH 2.96Å; H690-Y694 HydrophobicContact CB-CE2 4.01Å; H690-Y694 WeakPolarHBondContact O-CB 3.48Å; H690-Y694 WeakPolarHBondContact O-CD1 3.38Å; H690-Y694 WeakPolarHBondContact O-CD2 3.49Å; H690-Y694 PolarHBondContact O-N 3.01Å; V691-Y694 PolarHBondContact O-N 2.96Å; L692-Y694 VanDerWaalsContact C-N 3.28Å; L692-Y694 PolarHBondContact O-N 2.69Å; Y694-D696 VanDerWaalsContact C-N 3.27Å; Y694-D696 PolarHBondContact O-N 2.97Å; Y694-T697 PolarHBondContact O-N 2.71Å; Y694-V700 WeakPolarHBondContact O-CB 3.47Å; Y694-I703 HydrophobicContact CD2-CG2 4.04Å; Y694-K728 PolarHBondContact O-NZ 3.29Å
695Q97.8Very high97.9Very high26 Ų2623 Ų2312%0.12113%0.131CC..Hα-helixtrans-56.8-44171.1173.761.536.900110.9V691 L692 T697 R725 T727 K728V691-Q695 WeakPolarHBondContact O-CB 3.35Å; V691-Q695 PolarHBondContact O-N 3.45Å; L692-Q695 WeakPolarHBondContact O-CB 3.46Å; L692-Q695 PolarHBondContact O-N 2.6Å; Q695-T697 VanDerWaalsContact C-N 3.31Å; Q695-T697 PolarHBondContact O-N 3.32Å; Q695-R725 VanDerWaalsContact CG-NH1 3.29Å; Q695-R725 WeakPolarHBondContact CG-O 3.39Å; Q695-T727 PolarHBondContact NE2-OG1 3.39Å; Q695-K728 WeakPolarHBondContact O-CE 3.45Å; Q695-K728 PolarHBondContact O-NZ 3.46Å
696D97.3Very high98Very high81 Ų8123.1 Ų23.143%0.43313%0.132SC..Hα-helixtrans-83.5-6.5-175.8-57.6-19000113.4L692 R693 Y694 P698 R725L692-D696 PolarHBondContact O-N 3.18Å; R693-D696 CarbonylContact O-C 3.38Å; R693-D696 PolarHBondContact O-N 3.48Å; Y694-D696 VanDerWaalsContact C-N 3.27Å; Y694-D696 PolarHBondContact O-N 2.97Å; D696-P698 WeakPolarHBondContact O-CD 3.02Å; D696-R725 VanDerWaalsContact CG-NH2 3.26Å; D696-R725 IonicContact OD1-CZ 3.99Å; D696-R725 IonicContact OD1-NH1 3.78Å; D696-R725 PolarHBondContact OD1-NH1 3.03Å; D696-R725 IonicContact OD1-NH2 3.9Å; D696-R725 PolarHBondContact OD1-NH2 3Å; D696-R725 IonicContact OD2-CZ 2.65Å; D696-R725 IonicContact OD2-NH1 3.43Å; D696-R725 IonicContact OD2-NH2 2.78Å; D696-R725 PolarHBondContact OD2-NH2 2.65Å
697T97.8Very high97.9Very high13 Ų1322.5 Ų22.58%0.0813%0.128CC..  trans-92.7113.3179.7-61.70000111.1F672 R693 Y694 Q695 G699 V700 K728F672-T697 HydrophobicContact CE1-CG2 3.55Å; F672-T697 HydrophobicContact CZ-CG2 3.75Å; R693-T697 WeakPolarHBondContact O-CB 3.41Å; R693-T697 PolarHBondContact O-N 2.78Å; R693-T697 PolarHBondContact O-OG1 3.48Å; Y694-T697 PolarHBondContact O-N 2.71Å; Q695-T697 VanDerWaalsContact C-N 3.31Å; Q695-T697 PolarHBondContact O-N 3.32Å; T697-G699 VanDerWaalsContact C-N 3.27Å; T697-G699 PolarHBondContact O-N 3.32Å; T697-G699 VanDerWaalsContact O-N 3.16Å; T697-V700 HydrophobicContact CG2-CG2 4.06Å; T697-V700 PolarHBondContact O-N 3.1Å; T697-V700 VanDerWaalsContact O-N 3.1Å; T697-K728 PolarHBondContact O-NZ 3.18Å
698P97.4Very high97.7Very high108 Ų10822.6 Ų22.670%0.70113%0.128SC*.THydrogen-bonded Turntrans-60.8-29.8-172.7-27.236.2000115.3D696 V700 K701D696-P698 WeakPolarHBondContact O-CD 3.02Å; P698-V700 VanDerWaalsContact C-N 3.29Å; P698-V700 PolarHBondContact O-N 3.12Å; P698-K701 WeakPolarHBondContact O-CE 3.41Å; P698-K701 PolarHBondContact O-NZ 3.44Å
699G97.1Very high97.5Very high27 Ų2722.1 Ų22.128%0.27813%0.126SC..THydrogen-bonded Turntrans-68.9-23.9178.500000114T697T697-G699 VanDerWaalsContact C-N 3.27Å; T697-G699 PolarHBondContact O-N 3.32Å; T697-G699 VanDerWaalsContact O-N 3.16Å
700V98.6Very high97.1Very high0 Ų019.3 Ų19.30%011%0.111CC..  trans-79.2128176.3-179.50000109.9A648 F672 Y694 T697 P698 M702 I703 K728A648-V700 HydrophobicContact CB-CB 4.34Å; A648-V700 HydrophobicContact CB-CG1 3.63Å; A648-V700 HydrophobicContact CB-CG2 3.72Å; F672-V700 HydrophobicContact CB-CG2 4.38Å; F672-V700 HydrophobicContact CD1-CG2 3.43Å; F672-V700 VanDerWaalsContact CD1-CG2 3.43Å; F672-V700 HydrophobicContact CE1-CG2 3.88Å; F672-V700 HydrophobicContact CG-CG2 3.93Å; Y694-V700 WeakPolarHBondContact O-CB 3.47Å; T697-V700 HydrophobicContact CG2-CG2 4.06Å; T697-V700 PolarHBondContact O-N 3.1Å; T697-V700 VanDerWaalsContact O-N 3.1Å; P698-V700 VanDerWaalsContact C-N 3.29Å; P698-V700 PolarHBondContact O-N 3.12Å; V700-M702 WeakPolarHBondContact CG1-O 3.2Å; V700-I703 HydrophobicContact CG1-CG1 4Å; V700-K728 HydrophobicContact CG1-CD 4.41Å; V700-K728 WeakPolarHBondContact O-CD 3.41Å; V700-K728 VanDerWaalsContact O-CE 3.23Å; V700-K728 WeakPolarHBondContact O-CE 3.47Å; V700-K728 PolarHBondContact O-NZ 2.9Å
701K98.5Very high96.7Very high68 Ų6820.7 Ų20.730%0.29613%0.125SC..  trans-113.2-23.7179.5-52.5-56.7-174.4-170.20113.6S646 P698 V799 I800S646-K701 PolarHBondContact O-N 2.87Å; P698-K701 WeakPolarHBondContact O-CE 3.41Å; P698-K701 PolarHBondContact O-NZ 3.44Å; K701-V799 HydrophobicContact CB-CG1 4.46Å; K701-V799 HydrophobicContact CD-CG1 4.28Å; K701-I800 HydrophobicContact CB-CD1 3.81Å; K701-I800 HydrophobicContact CB-CG1 3.55Å; K701-I800 HydrophobicContact CG-CD1 4.41Å; K701-I800 HydrophobicContact CG-CG1 3.7Å
702M98.7Very high96.5Very high0 Ų024 Ų240%015%0.146CC..EExtended strand (participates in β ladder)trans-146.9157169.662-178.3-70.400111V647 A648 V700 V704 P729 V731 I787 V790 Y791 L794V647-M702 HydrophobicContact CB-CG 4.28Å; V647-M702 HydrophobicContact CG1-CG 4.13Å; V647-M702 HydrophobicContact CG2-CG 3.77Å; V647-M702 HydrophobicContact CG2-SD 3.93Å; A648-M702 PolarHBondContact N-O 3.41Å; A648-M702 VanDerWaalsContact N-O 3.08Å; V700-M702 WeakPolarHBondContact CG1-O 3.2Å; M702-V704 HydrophobicContact CE-CG2 4.49Å; M702-P729 HydrophobicContact CB-CB 4.35Å; M702-V731 HydrophobicContact CE-CG2 3.85Å; M702-I787 HydrophobicContact CE-CG2 4.2Å; M702-V790 HydrophobicContact CE-CB 3.99Å; M702-V790 HydrophobicContact CE-CG1 3.8Å; M702-V790 HydrophobicContact SD-CG1 4.22Å; M702-Y791 HydrophobicContact SD-CD2 4.38Å; M702-L794 HydrophobicContact CB-CD1 3.85Å; M702-L794 HydrophobicContact CG-CD1 4.31Å; M702-L794 HydrophobicContact SD-CD1 4.23Å
703I98.9Very high96.3Very high0 Ų023.1 Ų23.10%014%0.14CC..EExtended strand (participates in β ladder)trans-122.7133.4-174.1-56.2172.1000109.2A648 V691 Y694 V700 V705 K728 P729 V730 V731A648-I703 CarbonylContact O-C 3.51Å; A648-I703 WeakPolarHBondContact O-CA 3.27Å; V691-I703 HydrophobicContact CG1-CD1 4.14Å; V691-I703 HydrophobicContact CG2-CG2 4.24Å; Y694-I703 HydrophobicContact CD2-CG2 4.04Å; V700-I703 HydrophobicContact CG1-CG1 4Å; I703-V705 HydrophobicContact CG2-CG2 4.13Å; I703-K728 HydrophobicContact CD1-CB 4.39Å; I703-P729 PolarHBondContact N-O 2.99Å; I703-V730 HydrophobicContact CB-CG2 4.39Å; I703-V730 CarbonylContact O-C 3.57Å; I703-V730 WeakPolarHBondContact O-CA 3.32Å; I703-V731 PolarHBondContact O-N 3.46Å
704V98.9Very high96.2Very high0 Ų022.4 Ų22.40%014%0.138CC..EExtended strand (participates in β ladder)trans-112.6126.2173.9-177.90000109.7V647 A648 Y649 V650 L660 I664 M702 V731 I787V647-V704 HydrophobicContact CG1-CG2 3.7Å; A648-V704 PolarHBondContact O-N 3.12Å; Y649-V704 CarbonylContact C-O 3.55Å; Y649-V704 WeakPolarHBondContact CA-O 3.45Å; Y649-V704 WeakPolarHBondContact CB-O 3.42Å; V650-V704 PolarHBondContact N-O 3.07Å; L660-V704 HydrophobicContact CD2-CG1 4.23Å; I664-V704 HydrophobicContact CD1-CG2 4.41Å; M702-V704 HydrophobicContact CE-CG2 4.49Å; V704-V731 CarbonylContact C-O 3.54Å; V704-V731 WeakPolarHBondContact CA-O 3.31Å; V704-V731 HydrophobicContact CG2-CB 4.36Å; V704-I787 HydrophobicContact CG1-CD1 4.08Å; V704-I787 HydrophobicContact CG2-CD1 4.06Å; V704-I787 HydrophobicContact CG2-CG1 4.13Å
705V98.7Very high96.1Very high1 Ų125.2 Ų25.21%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-117.8119.9178.9-178.30000108.9V650 F687 V691 I703 I717 V730 V731 S732 W733V650-V705 HydrophobicContact CG1-CB 4.49Å; V650-V705 HydrophobicContact CG1-CG1 4.32Å; V650-V705 HydrophobicContact CG1-CG2 3.99Å; F687-V705 HydrophobicContact CD1-CG1 4.16Å; F687-V705 HydrophobicContact CE1-CG1 4.37Å; V691-V705 HydrophobicContact CG2-CG2 3.85Å; I703-V705 HydrophobicContact CG2-CG2 4.13Å; V705-I717 HydrophobicContact CG1-CD1 3.97Å; V705-I717 HydrophobicContact CG2-CD1 4.19Å; V705-V730 HydrophobicContact CG2-CG1 4.02Å; V705-V731 PolarHBondContact N-O 3.34Å; V705-S732 VanDerWaalsContact O-CA 3.26Å; V705-S732 WeakPolarHBondContact O-CA 3.45Å; V705-S732 PolarHBondContact O-OG 2.71Å; V705-W733 PolarHBondContact O-N 3.07Å
706L98.3Very high96.1Very high3 Ų328.6 Ų28.62%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-107.191.3172.4-169.869.7000108.8V650 M656 L660 F687 W733 I735 F780 L783V650-L706 PolarHBondContact O-N 2.67Å; M656-L706 HydrophobicContact CB-CD2 3.49Å; M656-L706 VanDerWaalsContact CB-CD2 3.49Å; M656-L706 HydrophobicContact CE-CD2 4.33Å; M656-L706 HydrophobicContact CG-CD2 4.13Å; L660-L706 HydrophobicContact CD1-CB 3.99Å; L660-L706 HydrophobicContact CD1-CD2 4.1Å; L660-L706 HydrophobicContact CG-CD2 4.38Å; F687-L706 WeakPolarHBondContact CZ-O 3.43Å; L706-W733 CarbonylContact C-O 3.55Å; L706-W733 WeakPolarHBondContact CA-O 3.3Å; L706-W733 HydrophobicContact CD1-CB 4.26Å; L706-I735 HydrophobicContact CD1-CG2 3.94Å; L706-I735 HydrophobicContact CG-CG2 4.48Å; L706-F780 HydrophobicContact CD1-CD2 4.14Å; L706-F780 HydrophobicContact CD1-CE2 3.9Å; L706-F780 HydrophobicContact CD2-CE2 4.33Å; L706-L783 HydrophobicContact CD1-CD2 4.31Å
707G96.1Very high96.1Very high1 Ų124.7 Ų24.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-80-179.4178.700000112.6E714 W733 C734 I735G707-E714 WeakPolarHBondContact CA-OE1 3.31Å; G707-W733 PolarHBondContact N-O 3.2Å; G707-C734 WeakPolarHBondContact O-CA 3.33Å; G707-I735 PolarHBondContact O-N 3.43Å; G707-I735 VanDerWaalsContact O-N 3.08Å
708E93.8Very high96Very high2 Ų224.3 Ų24.31%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-147.3163-176.2-166.1164.8-165.900110.6R652 E714 I735 H750 A753 K765R652-E708 WeakPolarHBondContact CB-OE2 3.32Å; R652-E708 WeakPolarHBondContact CD-OE2 3.21Å; E708-E714 PolarHBondContact N-OE1 3.18Å; E708-E714 VanDerWaalsContact N-OE1 3.13Å; E708-I735 CarbonylContact C-O 3.58Å; E708-I735 HydrophobicContact CB-CG1 4.2Å; E708-I735 HydrophobicContact CG-CD1 4.29Å; E708-I735 HydrophobicContact CG-CG1 3.87Å; E708-H750 IonicContact OE1-CE1 3.7Å; E708-H750 IonicContact OE1-CG 3.72Å; E708-H750 IonicContact OE1-ND1 2.75Å; E708-H750 PolarHBondContact OE1-ND1 3.46Å; E708-H750 IonicContact OE2-CE1 3.92Å; E708-H750 IonicContact OE2-CG 3.51Å; E708-H750 IonicContact OE2-ND1 3.69Å; E708-H750 PolarHBondContact OE2-ND1 3.26Å; E708-A753 HydrophobicContact CG-CB 4.35Å; E708-K765 PolarHBondContact O-NZ 3.24Å
709I92.1Very high95.9Very high7 Ų724.4 Ų24.44%0.03613%0.132CC..SBendtrans-58.8146.4166.3-173.6167.2000111.5I735 A739 F748 A753 A755 A762I709-I735 PolarHBondContact N-O 3.02Å; I709-A739 HydrophobicContact CD1-CB 3.35Å; I709-F748 HydrophobicContact CD1-CE2 4.29Å; I709-F748 HydrophobicContact CG2-CD2 3.68Å; I709-F748 HydrophobicContact CG2-CE2 3.84Å; I709-A753 HydrophobicContact CG2-CB 4.16Å; I709-A755 HydrophobicContact CD1-CB 3.92Å; I709-A755 HydrophobicContact CG1-CB 3.81Å; I709-A762 HydrophobicContact CB-CB 4.34Å
710G87.7Confident95.9Very high2 Ų223.6 Ų23.62%0.02112%0.122CC..SBendtrans94.1139.2177.500000113.5C754 E760 K765G710-C754 WeakPolarHBondContact CA-O 3.41Å; G710-E760 PolarHBondContact N-O 3.45Å; G710-K765 PolarHBondContact O-NZ 3.17Å
711G89.8Confident95.8Very high30 Ų3025.2 Ų25.231%0.30913%0.131SC..SBendtrans68.5-177.8-176.100000114.6E760 K765G711-E760 PolarHBondContact N-OE2 3.02Å; G711-E760 VanDerWaalsContact N-OE2 3.15Å; G711-K765 WeakPolarHBondContact O-CE 3.25Å; G711-K765 PolarHBondContact O-NZ 3.28Å
712T93.8Very high95.7Very high70 Ų7028.8 Ų28.843%0.42915%0.146SC..SBendtrans-130.316-169.4550000114E714 Y715 E760T712-E714 VanDerWaalsContact C-N 3.34Å; T712-E714 PolarHBondContact O-N 2.92Å; T712-Y715 HydrophobicContact CG2-CD2 4.36Å; T712-Y715 WeakPolarHBondContact O-CB 3.09Å; T712-Y715 PolarHBondContact O-N 2.97Å; T712-E760 HydrophobicContact CG2-CG 4.13Å
713E94.1Very high95.6Very high27 Ų2736 Ų3613%0.12618%0.18CC..Hα-helixtrans-62.9-37.9-173.4-178.958.1-155.900112.9V686 F687 T688 Y715 K716V686-E713 HydrophobicContact CB-CG 4.04Å; V686-E713 WeakPolarHBondContact CB-OE1 3.41Å; V686-E713 WeakPolarHBondContact CG2-OE1 3.41Å; F687-E713 HydrophobicContact CB-CG 3.91Å; F687-E713 HydrophobicContact CD2-CB 4.26Å; F687-E713 HydrophobicContact CD2-CG 3.82Å; F687-E713 HydrophobicContact CG-CG 4.32Å; T688-E713 WeakPolarHBondContact CB-OE1 3.25Å; T688-E713 PolarHBondContact N-OE1 3.49Å; T688-E713 PolarHBondContact OG1-OE1 3.08Å; E713-Y715 PolarHBondContact O-N 3.3Å; E713-K716 WeakPolarHBondContact O-CB 3.43Å; E713-K716 PolarHBondContact O-N 3.47Å; E713-K716 WeakPolarHBondContact OE2-CD 3.46Å; E713-K716 WeakPolarHBondContact OE2-CE 3.46Å; E713-K716 IonicContact OE2-NZ 2.61Å; E713-K716 PolarHBondContact OE2-NZ 2.97Å
714E97.1Very high95.4Very high4 Ų438.1 Ų38.12%0.01920%0.202CC..Hα-helixtrans-63.9-25.4-179.5-63.590.4158.200113.1F687 G707 E708 T712 K716 I717 G718 K765 L769F687-E714 HydrophobicContact CD2-CG 4.35Å; F687-E714 HydrophobicContact CE2-CG 4.41Å; G707-E714 WeakPolarHBondContact CA-OE1 3.31Å; E708-E714 PolarHBondContact N-OE1 3.18Å; E708-E714 VanDerWaalsContact N-OE1 3.13Å; T712-E714 VanDerWaalsContact C-N 3.34Å; T712-E714 PolarHBondContact O-N 2.92Å; E714-K716 PolarHBondContact O-N 3.34Å; E714-I717 WeakPolarHBondContact O-CB 3.35Å; E714-I717 PolarHBondContact O-N 3.44Å; E714-G718 PolarHBondContact O-N 2.81Å; E714-K765 HydrophobicContact CB-CD 4.42Å; E714-K765 HydrophobicContact CG-CD 4.48Å; E714-K765 IonicContact OE1-NZ 2.76Å; E714-K765 PolarHBondContact OE1-NZ 3.22Å; E714-K765 WeakPolarHBondContact OE2-CE 3.33Å; E714-K765 IonicContact OE2-NZ 3.3Å; E714-K765 PolarHBondContact OE2-NZ 3.41Å; E714-L769 HydrophobicContact CB-CD1 4.2Å
715Y96.8Very high95.4Very high60 Ų6042.7 Ų42.724%0.23522%0.219CC..Hα-helixtrans-64-31.5174.6-71.8-81.3000112.3T712 E713 I717 G718 Q719 S759 K765 A768T712-Y715 HydrophobicContact CG2-CD2 4.36Å; T712-Y715 WeakPolarHBondContact O-CB 3.09Å; T712-Y715 PolarHBondContact O-N 2.97Å; E713-Y715 PolarHBondContact O-N 3.3Å; Y715-I717 VanDerWaalsContact C-N 3.28Å; Y715-I717 PolarHBondContact O-N 2.95Å; Y715-G718 PolarHBondContact O-N 3.11Å; Y715-Q719 WeakPolarHBondContact O-CG 3.45Å; Y715-Q719 PolarHBondContact O-N 3.15Å; Y715-S759 VanDerWaalsContact CE2-O 3.22Å; Y715-S759 WeakPolarHBondContact CE2-O 3.43Å; Y715-S759 PolarHBondContact OH-O 3.32Å; Y715-K765 HydrophobicContact CE2-CG 3.87Å; Y715-A768 HydrophobicContact CD1-CB 3.96Å; Y715-A768 HydrophobicContact CE1-CB 3.42Å; Y715-A768 VanDerWaalsContact CE1-CB 3.42Å
716K96.4Very high95.4Very high96 Ų9642.9 Ų42.942%0.41722%0.22SC..Hα-helixtrans-65-34.7177-62.6-179.3-172.7161.10111.5T688 E713 E714 Q719 A720T688-K716 HydrophobicContact CG2-CB 4.44Å; T688-K716 WeakPolarHBondContact OG1-CB 3.32Å; E713-K716 WeakPolarHBondContact O-CB 3.43Å; E713-K716 PolarHBondContact O-N 3.47Å; E713-K716 WeakPolarHBondContact OE2-CD 3.46Å; E713-K716 WeakPolarHBondContact OE2-CE 3.46Å; E713-K716 IonicContact OE2-NZ 2.61Å; E713-K716 PolarHBondContact OE2-NZ 2.97Å; E714-K716 PolarHBondContact O-N 3.34Å; K716-Q719 PolarHBondContact O-N 3.14Å; K716-A720 VanDerWaalsContact O-CB 3.29Å; K716-A720 WeakPolarHBondContact O-CB 3.21Å; K716-A720 PolarHBondContact O-N 3.41Å
717I97.1Very high95.3Very high0 Ų047.7 Ų47.70%025%0.25CC..Hα-helixtrans-63.6-49.6172.9-61.3168.1000109.7F687 V691 V705 E714 Y715 Q719 A720 I721 I726 V730 L769F687-I717 HydrophobicContact CB-CD1 3.99Å; V691-I717 HydrophobicContact CG2-CD1 4.09Å; V691-I717 HydrophobicContact CG2-CG1 4.46Å; V705-I717 HydrophobicContact CG1-CD1 3.97Å; V705-I717 HydrophobicContact CG2-CD1 4.19Å; E714-I717 WeakPolarHBondContact O-CB 3.35Å; E714-I717 PolarHBondContact O-N 3.44Å; Y715-I717 VanDerWaalsContact C-N 3.28Å; Y715-I717 PolarHBondContact O-N 2.95Å; I717-Q719 VanDerWaalsContact C-N 3.31Å; I717-Q719 PolarHBondContact O-N 3.39Å; I717-A720 PolarHBondContact O-N 3.11Å; I717-A720 VanDerWaalsContact O-N 3.16Å; I717-I721 HydrophobicContact CG2-CD1 4.03Å; I717-I721 WeakPolarHBondContact O-CG1 3.41Å; I717-I721 PolarHBondContact O-N 2.97Å; I717-I726 HydrophobicContact CG2-CD1 4.06Å; I717-V730 HydrophobicContact CG2-CG1 4.42Å; I717-L769 HydrophobicContact CB-CD2 4.44Å; I717-L769 HydrophobicContact CG2-CD2 4.44Å
718G95.9Very high95.4Very high5 Ų549.4 Ų49.45%0.05226%0.257CS..Hα-helixtrans-58.7-40.7177.100000113E714 Y715 I721 K722E714-G718 PolarHBondContact O-N 2.81Å; Y715-G718 PolarHBondContact O-N 3.11Å; G718-I721 PolarHBondContact O-N 3.36Å; G718-K722 WeakPolarHBondContact O-CG 3.39Å; G718-K722 PolarHBondContact O-N 3.41Å; G718-K722 VanDerWaalsContact O-N 3.09Å
719Q96.3Very high95.7Very high110 Ų11050.7 Ų50.751%0.51427%0.266SS..Hα-helixtrans-64.1-44.7174.1-72.3174.81.700112Y715 K716 I717 I721 K722 Q723Y715-Q719 WeakPolarHBondContact O-CG 3.45Å; Y715-Q719 PolarHBondContact O-N 3.15Å; K716-Q719 PolarHBondContact O-N 3.14Å; I717-Q719 VanDerWaalsContact C-N 3.31Å; I717-Q719 PolarHBondContact O-N 3.39Å; Q719-I721 VanDerWaalsContact C-N 3.32Å; Q719-I721 PolarHBondContact O-N 3.44Å; Q719-K722 PolarHBondContact O-N 2.91Å; Q719-Q723 WeakPolarHBondContact O-CB 3.34Å; Q719-Q723 VanDerWaalsContact O-CG 3.28Å; Q719-Q723 WeakPolarHBondContact O-CG 3.14Å; Q719-Q723 PolarHBondContact O-N 3.09Å
720A96.4Very high96Very high9 Ų950.6 Ų50.67%0.07427%0.265CS..Hα-helixtrans-67.2-30.3179.300000113K716 I717 G724 R725 I726K716-A720 VanDerWaalsContact O-CB 3.29Å; K716-A720 WeakPolarHBondContact O-CB 3.21Å; K716-A720 PolarHBondContact O-N 3.41Å; I717-A720 PolarHBondContact O-N 3.11Å; I717-A720 VanDerWaalsContact O-N 3.16Å; A720-G724 PolarHBondContact O-N 3.28Å; A720-R725 HydrophobicContact CB-CB 4.27Å; A720-R725 PolarHBondContact O-N 3.18Å; A720-I726 HydrophobicContact CB-CD1 3.57Å; A720-I726 HydrophobicContact CB-CG1 3.9Å; A720-I726 PolarHBondContact O-N 3.02Å; A720-I726 VanDerWaalsContact O-N 3.12Å
721I97.4Very high96.5Very high34 Ų3450.5 Ų50.517%0.17426%0.264CS..Hα-helixtrans-65.2-51169-65.4165.8000109.8I717 G718 Q719 Q723 G724 I726 V730 A772 A774I717-I721 HydrophobicContact CG2-CD1 4.03Å; I717-I721 WeakPolarHBondContact O-CG1 3.41Å; I717-I721 PolarHBondContact O-N 2.97Å; G718-I721 PolarHBondContact O-N 3.36Å; Q719-I721 VanDerWaalsContact C-N 3.32Å; Q719-I721 PolarHBondContact O-N 3.44Å; I721-Q723 VanDerWaalsContact C-N 3.26Å; I721-Q723 PolarHBondContact O-N 2.89Å; I721-G724 PolarHBondContact O-N 2.85Å; I721-I726 HydrophobicContact CG1-CB 4Å; I721-I726 HydrophobicContact CG1-CD1 4.38Å; I721-I726 HydrophobicContact CG1-CG2 4.06Å; I721-V730 HydrophobicContact CD1-CB 4.3Å; I721-V730 HydrophobicContact CD1-CG2 4.24Å; I721-A772 WeakPolarHBondContact CG2-O 3.34Å; I721-A774 HydrophobicContact CD1-CB 4.18Å
722K96Very high96.9Very high144 Ų14449 Ų4963%0.62625%0.249SC*.Hα-helixtrans-60.2-34.2179.2-73.1178.8179.7-177.70113.2G718 Q719 G724 A772G718-K722 WeakPolarHBondContact O-CG 3.39Å; G718-K722 PolarHBondContact O-N 3.41Å; G718-K722 VanDerWaalsContact O-N 3.09Å; Q719-K722 PolarHBondContact O-N 2.91Å; K722-G724 VanDerWaalsContact C-N 3.27Å; K722-G724 PolarHBondContact O-N 3.16Å; K722-A772 HydrophobicContact CD-CB 4.46Å; K722-A772 HydrophobicContact CG-CB 4.26Å
723Q96.1Very high97.1Very high151 Ų15146.2 Ų46.271%0.70623%0.231SC*.THydrogen-bonded Turntrans-79.3-5.3176.9-70.2170.51.600113.5Q719 I721 R725Q719-Q723 WeakPolarHBondContact O-CB 3.34Å; Q719-Q723 VanDerWaalsContact O-CG 3.28Å; Q719-Q723 WeakPolarHBondContact O-CG 3.14Å; Q719-Q723 PolarHBondContact O-N 3.09Å; I721-Q723 VanDerWaalsContact C-N 3.26Å; I721-Q723 PolarHBondContact O-N 2.89Å; Q723-R725 VanDerWaalsContact C-N 3.25Å; Q723-R725 PolarHBondContact O-N 3.42Å
724G95.7Very high97.3Very high45 Ų4544.9 Ų44.946%0.46423%0.225SC..THydrogen-bonded Turntrans73.611.2-177.100000114.5A720 I721 K722 T727A720-G724 PolarHBondContact O-N 3.28Å; I721-G724 PolarHBondContact O-N 2.85Å; K722-G724 VanDerWaalsContact C-N 3.27Å; K722-G724 PolarHBondContact O-N 3.16Å; G724-T727 WeakPolarHBondContact O-CG2 3.44Å
725R97.4Very high97.3Very high95 Ų9544.9 Ų44.936%0.35823%0.225SC..SBendtrans-72.3-35.7174.517558.4-176.297.1-4.8111.7L692 Q695 D696 A720 Q723L692-R725 HydrophobicContact CD2-CG 3.68Å; Q695-R725 VanDerWaalsContact CG-NH1 3.29Å; Q695-R725 WeakPolarHBondContact CG-O 3.39Å; D696-R725 VanDerWaalsContact CG-NH2 3.26Å; D696-R725 IonicContact OD1-CZ 3.99Å; D696-R725 IonicContact OD1-NH1 3.78Å; D696-R725 PolarHBondContact OD1-NH1 3.03Å; D696-R725 IonicContact OD1-NH2 3.9Å; D696-R725 PolarHBondContact OD1-NH2 3Å; D696-R725 IonicContact OD2-CZ 2.65Å; D696-R725 IonicContact OD2-NH1 3.43Å; D696-R725 IonicContact OD2-NH2 2.78Å; D696-R725 PolarHBondContact OD2-NH2 2.65Å; A720-R725 HydrophobicContact CB-CB 4.27Å; A720-R725 PolarHBondContact O-N 3.18Å; Q723-R725 VanDerWaalsContact C-N 3.25Å; Q723-R725 PolarHBondContact O-N 3.42Å
726I98.2Very high97.2Very high6 Ų642 Ų423%0.03121%0.214CC..  trans-104.5118172.2-61.6168.6000107.7V691 L692 I717 A720 I721 V730V691-I726 HydrophobicContact CG1-CD1 3.51Å; V691-I726 HydrophobicContact CG1-CG1 4.21Å; L692-I726 HydrophobicContact CD2-CG1 4.41Å; I717-I726 HydrophobicContact CG2-CD1 4.06Å; A720-I726 HydrophobicContact CB-CD1 3.57Å; A720-I726 HydrophobicContact CB-CG1 3.9Å; A720-I726 PolarHBondContact O-N 3.02Å; A720-I726 VanDerWaalsContact O-N 3.12Å; I721-I726 HydrophobicContact CG1-CB 4Å; I721-I726 HydrophobicContact CG1-CD1 4.38Å; I721-I726 HydrophobicContact CG1-CG2 4.06Å; I726-V730 HydrophobicContact CG2-CG2 3.67Å
727T97.8Very high97.2Very high103 Ų10338 Ų3863%0.63220%0.197SC*.  trans-118.4-17.3-177.462.50000113Q695 G724Q695-T727 PolarHBondContact NE2-OG1 3.39Å; G724-T727 WeakPolarHBondContact O-CG2 3.44Å
728K98.5Very high97Very high37 Ų3738 Ų3816%0.16120%0.197CC..SBendtrans-72149.4173.4-65.8179.5-170.1179.20110.6Y694 Q695 T697 V700 I703 V730Y694-K728 PolarHBondContact O-NZ 3.29Å; Q695-K728 WeakPolarHBondContact O-CE 3.45Å; Q695-K728 PolarHBondContact O-NZ 3.46Å; T697-K728 PolarHBondContact O-NZ 3.18Å; V700-K728 HydrophobicContact CG1-CD 4.41Å; V700-K728 WeakPolarHBondContact O-CD 3.41Å; V700-K728 VanDerWaalsContact O-CE 3.23Å; V700-K728 WeakPolarHBondContact O-CE 3.47Å; V700-K728 PolarHBondContact O-NZ 2.9Å; I703-K728 HydrophobicContact CD1-CB 4.39Å; K728-V730 PolarHBondContact O-N 2.88Å
729P98.4Very high96.8Very high30 Ų3039 Ų3920%0.19521%0.205CC..  trans-57.3127.3174.2-2636.4000111.9M702 I703 Y775 V790 L794M702-P729 HydrophobicContact CB-CB 4.35Å; I703-P729 PolarHBondContact N-O 2.99Å; P729-Y775 HydrophobicContact CB-CD2 4.47Å; P729-Y775 HydrophobicContact CB-CE2 3.96Å; P729-V790 HydrophobicContact CB-CG1 3.73Å; P729-V790 HydrophobicContact CG-CG1 4.41Å; P729-L794 HydrophobicContact CG-CD1 4.16Å; P729-L794 HydrophobicContact CG-CD2 4.06Å
730V98.7Very high96.5Very high4 Ų437 Ų372%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-111.8116.3175.6-177.70000109.1I703 V705 I717 I721 I726 K728 A774 Y775I703-V730 HydrophobicContact CB-CG2 4.39Å; I703-V730 CarbonylContact O-C 3.57Å; I703-V730 WeakPolarHBondContact O-CA 3.32Å; V705-V730 HydrophobicContact CG2-CG1 4.02Å; I717-V730 HydrophobicContact CG2-CG1 4.42Å; I721-V730 HydrophobicContact CD1-CB 4.3Å; I721-V730 HydrophobicContact CD1-CG2 4.24Å; I726-V730 HydrophobicContact CG2-CG2 3.67Å; K728-V730 PolarHBondContact O-N 2.88Å; V730-A774 WeakPolarHBondContact O-CA 3.47Å; V730-Y775 PolarHBondContact O-N 2.85Å
731V98.8Very high96.1Very high0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-92.3129.1166-178.60000107.8M702 I703 V704 V705 Y775 L783 I786 I787 V790M702-V731 HydrophobicContact CE-CG2 3.85Å; I703-V731 PolarHBondContact O-N 3.46Å; V704-V731 CarbonylContact C-O 3.54Å; V704-V731 WeakPolarHBondContact CA-O 3.31Å; V704-V731 HydrophobicContact CG2-CB 4.36Å; V705-V731 PolarHBondContact N-O 3.34Å; V731-Y775 CarbonylContact C-O 3.53Å; V731-Y775 VanDerWaalsContact CA-O 3.3Å; V731-Y775 WeakPolarHBondContact CA-O 3.45Å; V731-L783 HydrophobicContact CG1-CD1 3.85Å; V731-I786 HydrophobicContact CG1-CG2 3.74Å; V731-I787 HydrophobicContact CB-CG1 4.42Å; V731-I787 HydrophobicContact CG1-CG1 3.93Å; V731-I787 HydrophobicContact CG2-CG1 4.45Å; V731-V790 HydrophobicContact CG2-CB 4.33Å; V731-V790 HydrophobicContact CG2-CG2 4.02Å
732S98.1Very high95.6Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-140.4139.6-177.2-166.60000112.8V705 L769 Y775 V776 P777V705-S732 VanDerWaalsContact O-CA 3.26Å; V705-S732 WeakPolarHBondContact O-CA 3.45Å; V705-S732 PolarHBondContact O-OG 2.71Å; S732-L769 WeakPolarHBondContact OG-CD1 3.22Å; S732-Y775 PolarHBondContact N-O 3.4Å; S732-V776 WeakPolarHBondContact O-CA 3.3Å; S732-P777 WeakPolarHBondContact O-CD 3.31Å
733W98.4Very high94.8Very high10 Ų1037.1 Ų37.14%0.03821%0.21CC..EExtended strand (participates in β ladder)trans-140128.2170177.3-106000110V705 L706 G707 T737 N766 V776 P777 K778 F780 L783V705-W733 PolarHBondContact O-N 3.07Å; L706-W733 CarbonylContact C-O 3.55Å; L706-W733 WeakPolarHBondContact CA-O 3.3Å; L706-W733 HydrophobicContact CD1-CB 4.26Å; G707-W733 PolarHBondContact N-O 3.2Å; W733-T737 HydrophobicContact CH2-CG2 4.03Å; W733-T737 HydrophobicContact CZ2-CG2 3.95Å; W733-N766 WeakPolarHBondContact CZ3-ND2 3.45Å; W733-V776 HydrophobicContact CE3-CG1 4.15Å; W733-P777 HydrophobicContact CB-CG 4.11Å; W733-P777 HydrophobicContact CD2-CG 4.2Å; W733-P777 HydrophobicContact CE3-CG 3.84Å; W733-P777 HydrophobicContact CG-CG 4.34Å; W733-P777 WeakPolarHBondContact CZ3-O 3.33Å; W733-K778 VanDerWaalsContact CH2-O 3.28Å; W733-K778 WeakPolarHBondContact CH2-O 2.78Å; W733-K778 WeakPolarHBondContact CZ3-O 3.31Å; W733-F780 AromaticContact CD1-CD2 3.81Å; W733-L783 HydrophobicContact CB-CD1 4.36Å
734C98Very high94Very high0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-97.7120.3171.2-64.20000109.6G707 A762 K765 N766G707-C734 WeakPolarHBondContact O-CA 3.33Å; C734-A762 HydrophobicContact CB-CB 4.09Å; C734-K765 HydrophobicContact CB-CB 4.31Å; C734-N766 WeakPolarHBondContact CB-OD1 3.49Å; C734-N766 PolarHBondContact N-OD1 2.73Å; C734-N766 PolarHBondContact O-ND2 3Å
735I96.9Very high93.2Very high4 Ų435 Ų352%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-81.9158.3176.370.7177.6000111.2V286 V287 L706 G707 E708 I709 A762 F780V286-I735 HydrophobicContact CB-CD1 4.25Å; V286-I735 HydrophobicContact CG1-CB 4.16Å; V286-I735 HydrophobicContact CG1-CD1 4.2Å; V286-I735 HydrophobicContact CG1-CG1 4.01Å; V287-I735 HydrophobicContact CG2-CB 4.03Å; V287-I735 HydrophobicContact CG2-CD1 4.2Å; V287-I735 HydrophobicContact CG2-CG2 3.55Å; L706-I735 HydrophobicContact CD1-CG2 3.94Å; L706-I735 HydrophobicContact CG-CG2 4.48Å; G707-I735 PolarHBondContact O-N 3.43Å; G707-I735 VanDerWaalsContact O-N 3.08Å; E708-I735 CarbonylContact C-O 3.58Å; E708-I735 HydrophobicContact CB-CG1 4.2Å; E708-I735 HydrophobicContact CG-CD1 4.29Å; E708-I735 HydrophobicContact CG-CG1 3.87Å; I709-I735 PolarHBondContact N-O 3.02Å; I735-A762 WeakPolarHBondContact O-CB 2.78Å; I735-F780 HydrophobicContact CG2-CD2 4.49Å
736G95.3Very high92.2Very high0 Ų031.2 Ų31.20%018%0.177CC..  trans99.132.3-178.500000113.5V286 D290 C738V286-G736 VanDerWaalsContact CG1-N 3.32Å; D290-G736 WeakPolarHBondContact OD1-CA 3.13Å; D290-G736 PolarHBondContact OD2-N 3.45Å; G736-C738 VanDerWaalsContact C-N 3.31Å
737T96.2Very high91.3Very high11 Ų1133.9 Ų33.97%0.06719%0.19CC..G310 helixtrans-67.6-31.7176.154.60000111.9D290 W733 A739 T740 A762 V763D290-T737 PolarHBondContact OD1-N 2.85Å; D290-T737 PolarHBondContact OD1-OG1 3.32Å; D290-T737 PolarHBondContact OD2-N 2.86Å; D290-T737 PolarHBondContact OD2-OG1 3.14Å; W733-T737 HydrophobicContact CH2-CG2 4.03Å; W733-T737 HydrophobicContact CZ2-CG2 3.95Å; T737-A739 PolarHBondContact O-N 3.24Å; T737-T740 PolarHBondContact O-N 2.69Å; T737-T740 PolarHBondContact O-OG1 3.25Å; T737-A762 HydrophobicContact CG2-CB 4.27Å; T737-V763 HydrophobicContact CG2-CG2 4.11Å
738C93.4Very high90.5Very high0 Ų029.2 Ų29.20%016%0.161CC..G310 helixtrans-59.5-26.717960.40000113.9D290 C293 G736 T740 M741 F742D290-C738 WeakPolarHBondContact OD1-CB 3.44Å; D290-C738 PolarHBondContact OD1-N 3.3Å; D290-C738 PolarHBondContact OD1-SG 3.44Å; C293-C738 HydrophobicContact CB-CB 3.87Å; C293-C738 VanDerWaalsContact SG-CB 3.55Å; G736-C738 VanDerWaalsContact C-N 3.31Å; C738-T740 PolarHBondContact O-N 3.44Å; C738-M741 WeakPolarHBondContact O-CA 2.97Å; C738-M741 WeakPolarHBondContact O-CB 3.45Å; C738-M741 PolarHBondContact O-N 2.94Å; C738-F742 HydrophobicContact CB-CE2 4.3Å; C738-F742 HydrophobicContact CB-CZ 3.96Å; C738-F742 PolarHBondContact O-N 3.37Å
739A90.9Very high89.1Confident27 Ų2727.7 Ų27.722%0.22316%0.155CC..G310 helixtrans-55.8-31-179.300000113.2I709 T737 M741 F748I709-A739 HydrophobicContact CD1-CB 3.35Å; T737-A739 PolarHBondContact O-N 3.24Å; A739-M741 PolarHBondContact O-N 3.27Å; A739-F748 HydrophobicContact CB-CE2 3.83Å; A739-F748 HydrophobicContact CB-CZ 3.95Å
740T88.9Confident88.2Confident68 Ų6827.3 Ų27.342%0.41715%0.151SC..G310 helixtrans-74.2-16177.961.60000113.6T737 C738 T761 V763T737-T740 PolarHBondContact O-N 2.69Å; T737-T740 PolarHBondContact O-OG1 3.25Å; C738-T740 PolarHBondContact O-N 3.44Å; T740-T761 HydrophobicContact CG2-CG2 4.31Å; T740-V763 HydrophobicContact CG2-CG2 4.1Å
741M89.9Confident86.8Confident83 Ų8327.7 Ų27.741%0.40916%0.155SC..THydrogen-bonded Turntrans-94.1-15.2-179.5-49-168.9-16800112.5C293 V298 C738 A739C293-M741 HydrophobicContact CB-CE 4.32Å; C293-M741 HydrophobicContact CB-SD 3.64Å; V298-M741 HydrophobicContact CG2-CB 3.88Å; C738-M741 WeakPolarHBondContact O-CA 2.97Å; C738-M741 WeakPolarHBondContact O-CB 3.45Å; C738-M741 PolarHBondContact O-N 2.94Å; A739-M741 PolarHBondContact O-N 3.27Å
742F86.6Confident85.3Confident27 Ų2728 Ų2812%0.11816%0.158CC..SBendtrans-77.3151.3176.6-58.3-35.8000112.5L269 V298 L301 C738 V746 F748L269-F742 HydrophobicContact CD1-CD1 4.48Å; L269-F742 HydrophobicContact CD1-CE1 3.93Å; L269-F742 HydrophobicContact CD1-CZ 3.99Å; V298-F742 HydrophobicContact CG2-CD1 4.33Å; V298-F742 HydrophobicContact CG2-CE1 4.41Å; L301-F742 HydrophobicContact CD2-CE1 4.09Å; L301-F742 HydrophobicContact CD2-CZ 4.13Å; C738-F742 HydrophobicContact CB-CE2 4.3Å; C738-F742 HydrophobicContact CB-CZ 3.96Å; C738-F742 PolarHBondContact O-N 3.37Å; F742-V746 HydrophobicContact CB-CG2 4.32Å; F742-V746 HydrophobicContact CD2-CB 4.02Å; F742-V746 HydrophobicContact CD2-CG2 3.54Å; F742-V746 HydrophobicContact CE2-CB 4.38Å; F742-V746 HydrophobicContact CE2-CG2 4.14Å; F742-V746 HydrophobicContact CG-CG2 4.14Å; F742-F748 HydrophobicContact CE2-CE1 4.22Å; F742-F748 HydrophobicContact CE2-CZ 4.15Å
743S78.6Confident84.5Confident78 Ų7828 Ų2855%0.54516%0.158SC..SBendtrans-77.3-21.4-179.7580000113.8
744S78.6Confident83.6Confident17 Ų1728.9 Ų28.912%0.11917%0.166CC..SBendtrans-139.1161.1-177.554.40000110.6R244 V746R244-S744 WeakPolarHBondContact CD-OG 3.46Å; R244-S744 VanDerWaalsContact CG-OG 3.3Å; R244-S744 WeakPolarHBondContact CG-OG 3.39Å; S744-V746 PolarHBondContact O-N 3.09Å
745E78.9Confident82.8Confident134 Ų13430.2 Ų30.263%0.62618%0.177SC*.  trans-62.3128.2177.6-69.9179.2-173.300110.7
746V77.6Confident81.9Confident16 Ų1634 Ų3410%0.09720%0.196CC..  trans-114.3118.8174.6179.50000108.1L269 Y304 F742 S744 F748L269-V746 HydrophobicContact CD2-CG2 3.79Å; Y304-V746 HydrophobicContact CD1-CG1 4.31Å; Y304-V746 HydrophobicContact CG-CG1 4.44Å; F742-V746 HydrophobicContact CB-CG2 4.32Å; F742-V746 HydrophobicContact CD2-CB 4.02Å; F742-V746 HydrophobicContact CD2-CG2 3.54Å; F742-V746 HydrophobicContact CE2-CB 4.38Å; F742-V746 HydrophobicContact CE2-CG2 4.14Å; F742-V746 HydrophobicContact CG-CG2 4.14Å; S744-V746 PolarHBondContact O-N 3.09Å; V746-F748 HydrophobicContact CG1-CD1 4.25Å; V746-F748 HydrophobicContact CG1-CE1 4.15Å; V746-F748 PolarHBondContact O-N 3.2Å
747Q78.6Confident81.2Confident62 Ų6239.2 Ų39.229%0.2922%0.221SC..  trans-78.4116.3168.9175.4635300108.4H750Q747-H750 PolarHBondContact NE2-O 3.42Å
748F82.1Confident80.7Confident5 Ų542.6 Ų42.62%0.02225%0.25CC..  trans-77.9176.7174.7-60.9-65.5000111.7V286 Y304 I709 A739 F742 V746 H750 A753V286-F748 HydrophobicContact CG2-CB 3.85Å; V286-F748 HydrophobicContact CG2-CD1 3.73Å; V286-F748 HydrophobicContact CG2-CD2 4.35Å; V286-F748 HydrophobicContact CG2-CE1 4.3Å; V286-F748 HydrophobicContact CG2-CG 3.72Å; Y304-F748 HydrophobicContact CD1-CD1 4.25Å; Y304-F748 AromaticContact CD2-CD1 3.81Å; Y304-F748 HydrophobicContact CD2-CD1 3.81Å; Y304-F748 HydrophobicContact CD2-CE1 4.01Å; Y304-F748 HydrophobicContact CE1-CB 4.38Å; Y304-F748 AromaticContact CE1-CD1 3.95Å; Y304-F748 HydrophobicContact CE1-CD1 3.95Å; Y304-F748 AromaticContact CE2-CD1 3.46Å; Y304-F748 HydrophobicContact CE2-CD1 3.46Å; Y304-F748 VanDerWaalsContact CE2-CD1 3.46Å; Y304-F748 HydrophobicContact CE2-CE1 4.04Å; Y304-F748 HydrophobicContact CE2-CG 4.49Å; Y304-F748 HydrophobicContact CG-CD1 4.2Å; Y304-F748 HydrophobicContact CG-CE1 4.47Å; Y304-F748 AromaticContact CZ-CD1 3.56Å; I709-F748 HydrophobicContact CD1-CE2 4.29Å; I709-F748 HydrophobicContact CG2-CD2 3.68Å; I709-F748 HydrophobicContact CG2-CE2 3.84Å; A739-F748 HydrophobicContact CB-CE2 3.83Å; A739-F748 HydrophobicContact CB-CZ 3.95Å; F742-F748 HydrophobicContact CE2-CE1 4.22Å; F742-F748 HydrophobicContact CE2-CZ 4.15Å; V746-F748 HydrophobicContact CG1-CD1 4.25Å; V746-F748 HydrophobicContact CG1-CE1 4.15Å; V746-F748 PolarHBondContact O-N 3.2Å; F748-H750 PolarHBondContact O-N 2.77Å; F748-A753 HydrophobicContact CB-CB 3.8Å; F748-A753 HydrophobicContact CD2-CB 4.37Å
749G67.9Low80.5Confident5 Ų544.5 Ų44.55%0.05226%0.263CS..SBendtrans-62.1-43.3-168.200000113.6Y304Y304-G749 PolarHBondContact OH-N 3.28Å
750H79.4Confident80.5Confident22 Ų2244.1 Ų44.110%0.10226%0.257CS..SBendtrans-69.5139.3176-62.7150.3000111.5G679 E708 Q747 F748 G752 A753G679-H750 WeakPolarHBondContact O-CB 3.42Å; E708-H750 IonicContact OE1-CE1 3.7Å; E708-H750 IonicContact OE1-CG 3.72Å; E708-H750 IonicContact OE1-ND1 2.75Å; E708-H750 PolarHBondContact OE1-ND1 3.46Å; E708-H750 IonicContact OE2-CE1 3.92Å; E708-H750 IonicContact OE2-CG 3.51Å; E708-H750 IonicContact OE2-ND1 3.69Å; E708-H750 PolarHBondContact OE2-ND1 3.26Å; Q747-H750 PolarHBondContact NE2-O 3.42Å; F748-H750 PolarHBondContact O-N 2.77Å; H750-G752 VanDerWaalsContact C-N 3.26Å; H750-G752 PolarHBondContact O-N 2.88Å; H750-A753 HydrophobicContact CB-CB 4.06Å; H750-A753 WeakPolarHBondContact O-CB 3.21Å; H750-A753 PolarHBondContact O-N 2.86Å
751A70.2Confident80.8Confident13 Ų1342.3 Ų42.311%0.10725%0.246CC..THydrogen-bonded Turntrans-59.5-36.5-176.500000113.1M1 G679 A753M1-A751 VanDerWaalsContact O-CB 3.31Å; M1-A751 WeakPolarHBondContact O-CB 3.05Å; G679-A751 PolarHBondContact O-N 3.5Å; A751-A753 VanDerWaalsContact C-N 3.35Å
752G66.8Low81Confident7 Ų738.3 Ų38.37%0.07223%0.226CC..THydrogen-bonded Turntrans-80.6-5.9178.800000115.7G679 H750 C754G679-G752 PolarHBondContact O-N 3.21Å; G679-G752 VanDerWaalsContact O-N 3.17Å; H750-G752 VanDerWaalsContact C-N 3.26Å; H750-G752 PolarHBondContact O-N 2.88Å; G752-C754 PolarHBondContact O-N 2.68Å
753A80.5Confident81.5Confident0 Ų040.3 Ų40.30%024%0.24CC..  trans-83.559.2-174.300000112.3E708 I709 F748 H750 A751E708-A753 HydrophobicContact CG-CB 4.35Å; I709-A753 HydrophobicContact CG2-CB 4.16Å; F748-A753 HydrophobicContact CB-CB 3.8Å; F748-A753 HydrophobicContact CD2-CB 4.37Å; H750-A753 HydrophobicContact CB-CB 4.06Å; H750-A753 WeakPolarHBondContact O-CB 3.21Å; H750-A753 PolarHBondContact O-N 2.86Å; A751-A753 VanDerWaalsContact C-N 3.35Å
754C80.1Confident82.4Confident28 Ų2838 Ų3819%0.18923%0.226CC..  trans-134.1123.1178.5-172.70000109G710 G752G710-C754 WeakPolarHBondContact CA-O 3.41Å; G752-C754 PolarHBondContact O-N 2.68Å
755A80.9Confident83.3Confident28 Ų2837.2 Ų37.223%0.23122%0.22CC..  trans-92110.9175.700000110.4I709 E760 T761I709-A755 HydrophobicContact CD1-CB 3.92Å; I709-A755 HydrophobicContact CG1-CB 3.81Å; A755-E760 HydrophobicContact CB-CB 3.93Å; A755-T761 HydrophobicContact CB-CG2 4.35Å
756N78Confident84.2Confident82 Ų8231.4 Ų31.444%0.43919%0.194SC..SBendtrans-85.7-19.6176.1-57.7-74.1000112.7E760N756-E760 PolarHBondContact N-OE2 2.91Å; N756-E760 PolarHBondContact ND2-OE2 2.83Å
757Q82Confident85.1Confident111 Ų11137.1 Ų37.152%0.51922%0.217SC..SBendtrans-136.7160.8-179.1-60.6-175.2-3.100110.9S759 E760Q757-S759 PolarHBondContact O-N 2.78Å; Q757-S759 PolarHBondContact OE1-OG 2.84Å; Q757-E760 HydrophobicContact CB-CG 4.3Å; Q757-E760 WeakPolarHBondContact O-CB 3.49Å; Q757-E760 PolarHBondContact O-N 2.83Å
758A85.4Confident86Confident81 Ų8135.3 Ų35.367%0.66921%0.213SC*.G310 helixtrans-60.3-32.6177.800000113.1E760 T761 A764A758-E760 PolarHBondContact O-N 2.91Å; A758-T761 WeakPolarHBondContact O-CB 3.37Å; A758-T761 WeakPolarHBondContact O-CG2 3.5Å; A758-T761 PolarHBondContact O-N 2.78Å; A758-T761 PolarHBondContact O-OG1 3.39Å; A758-A764 WeakPolarHBondContact O-CB 3.46Å
759S89.1Confident86.8Confident40 Ų4035.1 Ų35.128%0.2821%0.212SC..G310 helixtrans-64.1-26.5173.649.10000112.8Y715 Q757 T761Y715-S759 VanDerWaalsContact CE2-O 3.22Å; Y715-S759 WeakPolarHBondContact CE2-O 3.43Å; Y715-S759 PolarHBondContact OH-O 3.32Å; Q757-S759 PolarHBondContact O-N 2.78Å; Q757-S759 PolarHBondContact OE1-OG 2.84Å; S759-T761 PolarHBondContact O-N 3.42Å
760E91.4Very high88.2Confident20 Ų2041.5 Ų41.59%0.09324%0.238CC..G310 helixtrans-81-5.5-179.7-61.2-178.6-152.300112.8G710 G711 T712 A755 N756 Q757 A758 K765G710-E760 PolarHBondContact N-O 3.45Å; G711-E760 PolarHBondContact N-OE2 3.02Å; G711-E760 VanDerWaalsContact N-OE2 3.15Å; T712-E760 HydrophobicContact CG2-CG 4.13Å; A755-E760 HydrophobicContact CB-CB 3.93Å; N756-E760 PolarHBondContact N-OE2 2.91Å; N756-E760 PolarHBondContact ND2-OE2 2.83Å; Q757-E760 HydrophobicContact CB-CG 4.3Å; Q757-E760 WeakPolarHBondContact O-CB 3.49Å; Q757-E760 PolarHBondContact O-N 2.83Å; A758-E760 PolarHBondContact O-N 2.91Å; E760-K765 WeakPolarHBondContact O-CE 3.42Å
761T94Very high89Confident29 Ų2946.4 Ų46.418%0.17826%0.261CS..SBendtrans-70.8141.9178.666.10000111.7T740 A755 A758 S759 V763 A764 K765T740-T761 HydrophobicContact CG2-CG2 4.31Å; A755-T761 HydrophobicContact CB-CG2 4.35Å; A758-T761 WeakPolarHBondContact O-CB 3.37Å; A758-T761 WeakPolarHBondContact O-CG2 3.5Å; A758-T761 PolarHBondContact O-N 2.78Å; A758-T761 PolarHBondContact O-OG1 3.39Å; S759-T761 PolarHBondContact O-N 3.42Å; T761-V763 PolarHBondContact O-N 3.23Å; T761-A764 PolarHBondContact O-N 2.9Å; T761-A764 VanDerWaalsContact O-N 3.16Å; T761-A764 VanDerWaalsContact OG1-CB 3.22Å; T761-A764 WeakPolarHBondContact OG1-CB 3.42Å; T761-A764 PolarHBondContact OG1-N 3.46Å; T761-K765 WeakPolarHBondContact O-CG 3.36Å; T761-K765 PolarHBondContact O-N 3.12Å; T761-K765 VanDerWaalsContact O-N 3.08Å
762A95.6Very high90.3Very high0 Ų046.3 Ų46.30%026%0.26CS..Hα-helixtrans-57.4-38.2178.400000112.4I709 C734 I735 T737 K765 N766I709-A762 HydrophobicContact CB-CB 4.34Å; C734-A762 HydrophobicContact CB-CB 4.09Å; I735-A762 WeakPolarHBondContact O-CB 2.78Å; T737-A762 HydrophobicContact CG2-CB 4.27Å; A762-K765 PolarHBondContact O-N 2.86Å; A762-N766 WeakPolarHBondContact O-CB 3.43Å; A762-N766 PolarHBondContact O-N 2.63Å; A762-N766 PolarHBondContact O-ND2 3.37Å
763V96.4Very high91.7Very high69 Ų6948.4 Ų48.442%0.41828%0.282SS..Hα-helixtrans-61.1-46.9176.9179.80000111.5T737 T740 T761 N766 K767T737-V763 HydrophobicContact CG2-CG2 4.11Å; T740-V763 HydrophobicContact CG2-CG2 4.1Å; T761-V763 PolarHBondContact O-N 3.23Å; V763-N766 PolarHBondContact O-N 2.99Å; V763-K767 PolarHBondContact O-N 3Å; V763-K767 VanDerWaalsContact O-N 3.08Å
764A96.5Very high92.5Very high29 Ų2948.8 Ų48.824%0.2429%0.285CS..Hα-helixtrans-64.7-40.8178.700000111.9A758 T761 K767 A768A758-A764 WeakPolarHBondContact O-CB 3.46Å; T761-A764 PolarHBondContact O-N 2.9Å; T761-A764 VanDerWaalsContact O-N 3.16Å; T761-A764 VanDerWaalsContact OG1-CB 3.22Å; T761-A764 WeakPolarHBondContact OG1-CB 3.42Å; T761-A764 PolarHBondContact OG1-N 3.46Å; A764-K767 PolarHBondContact O-N 3.2Å; A764-A768 WeakPolarHBondContact O-CB 3.44Å; A764-A768 PolarHBondContact O-N 3.11Å
765K97.6Very high93.4Very high1 Ų152.6 Ų52.60%0.00430%0.296CS..Hα-helixtrans-64.6-47.3176.6-66.2178.6-176-168.20112.4E708 G710 G711 E714 Y715 C734 E760 T761 A762 K767 A768 L769E708-K765 PolarHBondContact O-NZ 3.24Å; G710-K765 PolarHBondContact O-NZ 3.17Å; G711-K765 WeakPolarHBondContact O-CE 3.25Å; G711-K765 PolarHBondContact O-NZ 3.28Å; E714-K765 HydrophobicContact CB-CD 4.42Å; E714-K765 HydrophobicContact CG-CD 4.48Å; E714-K765 IonicContact OE1-NZ 2.76Å; E714-K765 PolarHBondContact OE1-NZ 3.22Å; E714-K765 WeakPolarHBondContact OE2-CE 3.33Å; E714-K765 IonicContact OE2-NZ 3.3Å; E714-K765 PolarHBondContact OE2-NZ 3.41Å; Y715-K765 HydrophobicContact CE2-CG 3.87Å; C734-K765 HydrophobicContact CB-CB 4.31Å; E760-K765 WeakPolarHBondContact O-CE 3.42Å; T761-K765 WeakPolarHBondContact O-CG 3.36Å; T761-K765 PolarHBondContact O-N 3.12Å; T761-K765 VanDerWaalsContact O-N 3.08Å; A762-K765 PolarHBondContact O-N 2.86Å; K765-K767 VanDerWaalsContact C-N 3.3Å; K765-K767 PolarHBondContact O-N 3.18Å; K765-A768 PolarHBondContact O-N 3.47Å; K765-L769 WeakPolarHBondContact O-CB 3.37Å; K765-L769 WeakPolarHBondContact O-CG 3.35Å; K765-L769 PolarHBondContact O-N 3.17Å
766N98.1Very high94.2Very high12 Ų1252 Ų526%0.06429%0.29CS..Hα-helixtrans-57.7-43.5177.2-79.1-30.8000111.3W733 C734 A762 V763 K770 V776W733-N766 WeakPolarHBondContact CZ3-ND2 3.45Å; C734-N766 WeakPolarHBondContact CB-OD1 3.49Å; C734-N766 PolarHBondContact N-OD1 2.73Å; C734-N766 PolarHBondContact O-ND2 3Å; A762-N766 WeakPolarHBondContact O-CB 3.43Å; A762-N766 PolarHBondContact O-N 2.63Å; A762-N766 PolarHBondContact O-ND2 3.37Å; V763-N766 PolarHBondContact O-N 2.99Å; N766-K770 WeakPolarHBondContact O-CB 3.45Å; N766-K770 PolarHBondContact O-N 3.47Å; N766-K770 VanDerWaalsContact O-N 3.07Å; N766-V776 HydrophobicContact CB-CG1 4.05Å
767K97.6Very high95.2Very high135 Ų13548.6 Ų48.659%0.58727%0.272SS*.Hα-helixtrans-61.1-50174.4-178.1176.9174.1-179.90111.8V763 A764 K765 L769 K770 E771V763-K767 PolarHBondContact O-N 3Å; V763-K767 VanDerWaalsContact O-N 3.08Å; A764-K767 PolarHBondContact O-N 3.2Å; K765-K767 VanDerWaalsContact C-N 3.3Å; K765-K767 PolarHBondContact O-N 3.18Å; K767-L769 PolarHBondContact O-N 2.94Å; K767-K770 PolarHBondContact O-N 3.48Å; K767-E771 WeakPolarHBondContact CE-OE1 3.4Å; K767-E771 WeakPolarHBondContact CG-OE1 3.2Å; K767-E771 WeakPolarHBondContact O-CG 3.45Å; K767-E771 PolarHBondContact O-N 3.16Å
768A97.4Very high95.8Very high24 Ų2451.4 Ų51.420%0.19828%0.283CS..Hα-helixtrans-63.8-38.5-17800000113.3Y715 A764 K765 A772Y715-A768 HydrophobicContact CD1-CB 3.96Å; Y715-A768 HydrophobicContact CE1-CB 3.42Å; Y715-A768 VanDerWaalsContact CE1-CB 3.42Å; A764-A768 WeakPolarHBondContact O-CB 3.44Å; A764-A768 PolarHBondContact O-N 3.11Å; K765-A768 PolarHBondContact O-N 3.47Å; A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 3.19Å
769L97.7Very high96.3Very high2 Ų248.6 Ų48.61%0.0126%0.258CS..Hα-helixtrans-66-42.9175.5-76166.1000111.7E714 I717 S732 K765 K767 A772 G773 A774 V776E714-L769 HydrophobicContact CB-CD1 4.2Å; I717-L769 HydrophobicContact CB-CD2 4.44Å; I717-L769 HydrophobicContact CG2-CD2 4.44Å; S732-L769 WeakPolarHBondContact OG-CD1 3.22Å; K765-L769 WeakPolarHBondContact O-CB 3.37Å; K765-L769 WeakPolarHBondContact O-CG 3.35Å; K765-L769 PolarHBondContact O-N 3.17Å; K767-L769 PolarHBondContact O-N 2.94Å; L769-A772 WeakPolarHBondContact O-CB 3.4Å; L769-A772 PolarHBondContact O-N 3.41Å; L769-A772 VanDerWaalsContact O-N 3.14Å; L769-G773 PolarHBondContact O-N 3.48Å; L769-A774 HydrophobicContact CB-CB 4.23Å; L769-A774 WeakPolarHBondContact O-CB 3.44Å; L769-A774 PolarHBondContact O-N 3.46Å; L769-V776 HydrophobicContact CB-CG2 4Å
770K97.5Very high96.6Very high138 Ų13846.9 Ų46.960%0.625%0.246SC*.Hα-helixtrans-61.5-44.5176-171.8173.2-178171.40111.6N766 K767 A772 G773 V776N766-K770 WeakPolarHBondContact O-CB 3.45Å; N766-K770 PolarHBondContact O-N 3.47Å; N766-K770 VanDerWaalsContact O-N 3.07Å; K767-K770 PolarHBondContact O-N 3.48Å; K770-A772 PolarHBondContact O-N 3.35Å; K770-G773 PolarHBondContact O-N 2.86Å; K770-G773 VanDerWaalsContact O-N 3.11Å; K770-V776 HydrophobicContact CB-CB 4.13Å; K770-V776 HydrophobicContact CB-CG2 3.93Å
771E97.4Very high96.6Very high126 Ų12647.4 Ų47.459%0.58925%0.249SC*.Hα-helixtrans-65.6-25.6175.1-72.2173.3-175.300113.2K767 G773K767-E771 WeakPolarHBondContact CE-OE1 3.4Å; K767-E771 WeakPolarHBondContact CG-OE1 3.2Å; K767-E771 WeakPolarHBondContact O-CG 3.45Å; K767-E771 PolarHBondContact O-N 3.16Å; E771-G773 VanDerWaalsContact C-N 3.28Å
772A96.9Very high96.7Very high10 Ų1048.9 Ų48.98%0.08325%0.254CS..THydrogen-bonded Turntrans-79-9.2174.100000113.8I721 K722 A768 L769 K770I721-A772 WeakPolarHBondContact CG2-O 3.34Å; K722-A772 HydrophobicContact CD-CB 4.46Å; K722-A772 HydrophobicContact CG-CB 4.26Å; A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 3.19Å; L769-A772 WeakPolarHBondContact O-CB 3.4Å; L769-A772 PolarHBondContact O-N 3.41Å; L769-A772 VanDerWaalsContact O-N 3.14Å; K770-A772 PolarHBondContact O-N 3.35Å
773G96.1Very high96.8Very high52 Ų5248.9 Ų48.954%0.53625%0.254SS..THydrogen-bonded Turntrans999.9-179.700000114.9L769 K770 E771L769-G773 PolarHBondContact O-N 3.48Å; K770-G773 PolarHBondContact O-N 2.86Å; K770-G773 VanDerWaalsContact O-N 3.11Å; E771-G773 VanDerWaalsContact C-N 3.28Å
774A97.6Very high96.7Very high7 Ų746.2 Ų46.26%0.05824%0.241CC..  trans-73.9149.9168.600000111I721 V730 L769 V776I721-A774 HydrophobicContact CD1-CB 4.18Å; V730-A774 WeakPolarHBondContact O-CA 3.47Å; L769-A774 HydrophobicContact CB-CB 4.23Å; L769-A774 WeakPolarHBondContact O-CB 3.44Å; L769-A774 PolarHBondContact O-N 3.46Å; A774-V776 HydrophobicContact CB-CG2 4.33Å; A774-V776 PolarHBondContact O-N 3.48Å
775Y98.5Very high96.8Very high108 Ų10851.5 Ų51.542%0.42426%0.26SS..BIsolated β-bridgetrans-81.9106.5174.7-62.2-91.3000109.1P729 V730 V731 S732 V790P729-Y775 HydrophobicContact CB-CD2 4.47Å; P729-Y775 HydrophobicContact CB-CE2 3.96Å; V730-Y775 PolarHBondContact O-N 2.85Å; V731-Y775 CarbonylContact C-O 3.53Å; V731-Y775 VanDerWaalsContact CA-O 3.3Å; V731-Y775 WeakPolarHBondContact CA-O 3.45Å; S732-Y775 PolarHBondContact N-O 3.4Å; Y775-V790 HydrophobicContact CD1-CG2 3.67Å; Y775-V790 HydrophobicContact CD2-CG2 3.96Å; Y775-V790 HydrophobicContact CE1-CG2 3.94Å; Y775-V790 HydrophobicContact CE2-CG2 4.24Å; Y775-V790 HydrophobicContact CG-CG2 3.67Å
776V98.3Very high96.8Very high15 Ų1553 Ų539%0.09127%0.268CS..  trans-115.8119.8-176.3-176.10000109.7S732 W733 N766 L769 K770 A774S732-V776 WeakPolarHBondContact O-CA 3.3Å; W733-V776 HydrophobicContact CE3-CG1 4.15Å; N766-V776 HydrophobicContact CB-CG1 4.05Å; L769-V776 HydrophobicContact CB-CG2 4Å; K770-V776 HydrophobicContact CB-CB 4.13Å; K770-V776 HydrophobicContact CB-CG2 3.93Å; A774-V776 HydrophobicContact CB-CG2 4.33Å; A774-V776 PolarHBondContact O-N 3.48Å
777P97.5Very high96.8Very high12 Ų1252.5 Ų52.58%0.07827%0.265CS..  trans-70.5171.6177.231.5-34.6000111.5S732 W733 S779 E782 L783 I786S732-P777 WeakPolarHBondContact O-CD 3.31Å; W733-P777 HydrophobicContact CB-CG 4.11Å; W733-P777 HydrophobicContact CD2-CG 4.2Å; W733-P777 HydrophobicContact CE3-CG 3.84Å; W733-P777 HydrophobicContact CG-CG 4.34Å; W733-P777 WeakPolarHBondContact CZ3-O 3.33Å; P777-S779 WeakPolarHBondContact CB-O 3.41Å; P777-E782 HydrophobicContact CB-CB 3.99Å; P777-L783 HydrophobicContact CG-CB 4.37Å; P777-L783 HydrophobicContact CG-CD1 4.14Å; P777-I786 HydrophobicContact CB-CG2 3.98Å; P777-I786 HydrophobicContact CG-CG2 4.26Å
778K95Very high96.9Very high170 Ų17050.3 Ų50.374%0.73926%0.256SS*.SBendtrans-75.6-36.4176.4-61.9178.5-167.2157.80112.8W733 E782W733-K778 VanDerWaalsContact CH2-O 3.28Å; W733-K778 WeakPolarHBondContact CH2-O 2.78Å; W733-K778 WeakPolarHBondContact CZ3-O 3.31Å; K778-E782 VanDerWaalsContact CB-OE2 3.28Å; K778-E782 WeakPolarHBondContact CB-OE2 3.45Å; K778-E782 VanDerWaalsContact CG-OE2 3.28Å; K778-E782 WeakPolarHBondContact CG-OE2 3.47Å; K778-E782 PolarHBondContact N-OE2 3.47Å
779S95.4Very high96.9Very high22 Ų2253.1 Ų53.115%0.15427%0.274CS..SBendtrans-146.8174.817670.10000109.7P777 D781 E782P777-S779 WeakPolarHBondContact CB-O 3.41Å; S779-D781 PolarHBondContact O-N 3.35Å; S779-E782 PolarHBondContact O-N 3.08Å
780F96.1Very high97Very high4 Ų453.6 Ų53.62%0.01828%0.277CS..G310 helixtrans-60.6-31.8177.6-175.2-94.6000112.9V287 M411 T412 M656 I663 L706 W733 I735 E782 L783V287-F780 HydrophobicContact CG1-CB 3.86Å; V287-F780 HydrophobicContact CG1-CD1 3.52Å; V287-F780 HydrophobicContact CG1-CD2 4.36Å; V287-F780 HydrophobicContact CG1-CE1 4.18Å; V287-F780 HydrophobicContact CG1-CG 3.63Å; V287-F780 HydrophobicContact CG2-CD2 4.29Å; V287-F780 HydrophobicContact CG2-CG 4.33Å; M411-F780 HydrophobicContact CE-CD1 4.26Å; M411-F780 HydrophobicContact CE-CE1 3.85Å; M411-F780 HydrophobicContact CE-CZ 4.46Å; T412-F780 HydrophobicContact CG2-CD1 4.5Å; M656-F780 HydrophobicContact CE-CD2 4.49Å; M656-F780 HydrophobicContact CE-CE1 3.86Å; M656-F780 HydrophobicContact CE-CE2 3.54Å; M656-F780 HydrophobicContact CE-CZ 3.16Å; I663-F780 HydrophobicContact CD1-CE1 4.34Å; I663-F780 HydrophobicContact CD1-CZ 3.97Å; L706-F780 HydrophobicContact CD1-CD2 4.14Å; L706-F780 HydrophobicContact CD1-CE2 3.9Å; L706-F780 HydrophobicContact CD2-CE2 4.33Å; W733-F780 AromaticContact CD1-CD2 3.81Å; I735-F780 HydrophobicContact CG2-CD2 4.49Å; F780-E782 PolarHBondContact O-N 3.35Å; F780-L783 HydrophobicContact CD2-CD2 4.03Å; F780-L783 HydrophobicContact CE2-CD2 3.64Å; F780-L783 HydrophobicContact CZ-CD2 4.31Å; F780-L783 WeakPolarHBondContact O-CB 3.46Å; F780-L783 PolarHBondContact O-N 2.65Å
781D91.6Very high97Very high31 Ų3147.9 Ų47.917%0.16625%0.252CS..G310 helixtrans-60.8-32.6-179.4-74.221.8000112.9T412 R422 S779 L783T412-D781 VanDerWaalsContact CB-OD1 3.25Å; T412-D781 WeakPolarHBondContact CB-OD1 3.38Å; T412-D781 VanDerWaalsContact OG1-CG 3.24Å; T412-D781 PolarHBondContact OG1-OD1 2.67Å; R422-D781 IonicContact NH1-OD2 3.38Å; R422-D781 IonicContact NH2-OD2 3.51Å; S779-D781 PolarHBondContact O-N 3.35Å; D781-L783 VanDerWaalsContact C-N 3.32Å
782E95.9Very high97.1Very high59 Ų5945 Ų4528%0.27624%0.24SC..G310 helixtrans-87.90.2-179.9-63.6-179.9-173.100112.5P777 K778 S779 F780 G784 E785 I786P777-E782 HydrophobicContact CB-CB 3.99Å; K778-E782 VanDerWaalsContact CB-OE2 3.28Å; K778-E782 WeakPolarHBondContact CB-OE2 3.45Å; K778-E782 VanDerWaalsContact CG-OE2 3.28Å; K778-E782 WeakPolarHBondContact CG-OE2 3.47Å; K778-E782 PolarHBondContact N-OE2 3.47Å; S779-E782 PolarHBondContact O-N 3.08Å; F780-E782 PolarHBondContact O-N 3.35Å; E782-G784 VanDerWaalsContact C-N 3.33Å; E782-G784 PolarHBondContact O-N 3.29Å; E782-E785 PolarHBondContact O-N 2.93Å; E782-I786 PolarHBondContact O-N 3.23Å; E782-I786 VanDerWaalsContact O-N 3.11Å
783L97.2Very high97.2Very high1 Ų145.9 Ų45.91%0.00525%0.25CS..Hα-helixtrans-61.7-40.4-178.1-178.961.6000111.9L660 L706 V731 W733 P777 F780 D781 E785 I786 I787L660-L783 HydrophobicContact CD2-CD2 4Å; L706-L783 HydrophobicContact CD1-CD2 4.31Å; V731-L783 HydrophobicContact CG1-CD1 3.85Å; W733-L783 HydrophobicContact CB-CD1 4.36Å; P777-L783 HydrophobicContact CG-CB 4.37Å; P777-L783 HydrophobicContact CG-CD1 4.14Å; F780-L783 HydrophobicContact CD2-CD2 4.03Å; F780-L783 HydrophobicContact CE2-CD2 3.64Å; F780-L783 HydrophobicContact CZ-CD2 4.31Å; F780-L783 WeakPolarHBondContact O-CB 3.46Å; F780-L783 PolarHBondContact O-N 2.65Å; D781-L783 VanDerWaalsContact C-N 3.32Å; L783-E785 VanDerWaalsContact C-N 3.34Å; L783-E785 PolarHBondContact O-N 3.06Å; L783-I786 HydrophobicContact CD1-CG2 4.27Å; L783-I786 VanDerWaalsContact O-CG2 3.29Å; L783-I786 WeakPolarHBondContact O-CG2 3.36Å; L783-I787 HydrophobicContact CD1-CD1 4.02Å; L783-I787 HydrophobicContact CD1-CG1 4.28Å; L783-I787 HydrophobicContact CG-CD1 3.86Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å; L783-I787 WeakPolarHBondContact O-CD1 3.4Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.49Å; L783-I787 VanDerWaalsContact O-N 3.09Å
784G96Very high97.3Very high13 Ų1344 Ų4413%0.13423%0.228CC..Hα-helixtrans-63.6-39.7176.800000112.6T667 E782 I787 K788T667-G784 WeakPolarHBondContact CG2-O 3.46Å; E782-G784 VanDerWaalsContact C-N 3.33Å; E782-G784 PolarHBondContact O-N 3.29Å; G784-I787 PolarHBondContact O-N 2.65Å; G784-K788 WeakPolarHBondContact O-CB 3.45Å; G784-K788 PolarHBondContact O-N 3.16Å
785E97.3Very high97.3Very high139 Ų13946 Ų4665%0.6524%0.24SC*.Hα-helixtrans-66.2-45.4-179.4-60.8-176.5172.800111.7E782 L783 K788 S789E782-E785 PolarHBondContact O-N 2.93Å; L783-E785 VanDerWaalsContact C-N 3.34Å; L783-E785 PolarHBondContact O-N 3.06Å; E785-K788 PolarHBondContact O-N 3.4Å; E785-S789 WeakPolarHBondContact O-CB 3.26Å; E785-S789 PolarHBondContact O-N 3.06Å
786I98.2Very high97.2Very high34 Ų3446 Ų4617%0.17426%0.255CS..Hα-helixtrans-69.2-36.3179.3-162.1167.4000112V731 P777 E782 L783 S789 V790V731-I786 HydrophobicContact CG1-CG2 3.74Å; P777-I786 HydrophobicContact CB-CG2 3.98Å; P777-I786 HydrophobicContact CG-CG2 4.26Å; E782-I786 PolarHBondContact O-N 3.23Å; E782-I786 VanDerWaalsContact O-N 3.11Å; L783-I786 HydrophobicContact CD1-CG2 4.27Å; L783-I786 VanDerWaalsContact O-CG2 3.29Å; L783-I786 WeakPolarHBondContact O-CG2 3.36Å; I786-S789 PolarHBondContact O-N 3.38Å; I786-V790 WeakPolarHBondContact O-CG2 3.47Å; I786-V790 PolarHBondContact O-N 2.72Å; I786-V790 VanDerWaalsContact O-N 3.08Å
787I98.6Very high97.2Very high0 Ų053 Ų530%028%0.284CS..Hα-helixtrans-60-49.4172.8-72.2169.9000109.8I663 I664 T668 M702 V704 V731 L783 G784 S789 V790 Y791I663-I787 HydrophobicContact CG2-CD1 4.19Å; I664-I787 HydrophobicContact CG1-CD1 4.41Å; T668-I787 HydrophobicContact CG2-CG2 3.56Å; M702-I787 HydrophobicContact CE-CG2 4.2Å; V704-I787 HydrophobicContact CG1-CD1 4.08Å; V704-I787 HydrophobicContact CG2-CD1 4.06Å; V704-I787 HydrophobicContact CG2-CG1 4.13Å; V731-I787 HydrophobicContact CB-CG1 4.42Å; V731-I787 HydrophobicContact CG1-CG1 3.93Å; V731-I787 HydrophobicContact CG2-CG1 4.45Å; L783-I787 HydrophobicContact CD1-CD1 4.02Å; L783-I787 HydrophobicContact CD1-CG1 4.28Å; L783-I787 HydrophobicContact CG-CD1 3.86Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å; L783-I787 WeakPolarHBondContact O-CD1 3.4Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.49Å; L783-I787 VanDerWaalsContact O-N 3.09Å; G784-I787 PolarHBondContact O-N 2.65Å; I787-S789 PolarHBondContact O-N 3.11Å; I787-V790 PolarHBondContact O-N 3.16Å; I787-Y791 WeakPolarHBondContact O-CB 3.24Å; I787-Y791 PolarHBondContact O-N 2.98Å
788K98.5Very high97.1Very high90 Ų9054.4 Ų54.439%0.39130%0.301SS..Hα-helixtrans-58.4-47.5178.7-164.8-163.9-176.5-46.50111.5T667 G784 E785 V790 Y791 D792T667-K788 HydrophobicContact CG2-CB 4.19Å; G784-K788 WeakPolarHBondContact O-CB 3.45Å; G784-K788 PolarHBondContact O-N 3.16Å; E785-K788 PolarHBondContact O-N 3.4Å; K788-V790 PolarHBondContact O-N 3.46Å; K788-Y791 PolarHBondContact O-N 3.47Å; K788-D792 IonicContact NZ-OD1 3.97Å; K788-D792 PolarHBondContact NZ-OD1 3.24Å; K788-D792 IonicContact NZ-OD2 3.74Å; K788-D792 PolarHBondContact NZ-OD2 3.23Å; K788-D792 VanDerWaalsContact O-CG 3.27Å; K788-D792 PolarHBondContact O-N 3.15Å
789S98.5Very high97.3Very high82 Ų8249.7 Ų49.757%0.57329%0.286SS*.Hα-helixtrans-58.8-45.8-179.2-179.70000112.4E785 I786 I787 G793E785-S789 WeakPolarHBondContact O-CB 3.26Å; E785-S789 PolarHBondContact O-N 3.06Å; I786-S789 PolarHBondContact O-N 3.38Å; I787-S789 PolarHBondContact O-N 3.11Å; S789-G793 PolarHBondContact O-N 3.35Å; S789-G793 VanDerWaalsContact O-N 3.11Å
790V98.6Very high97.4Very high12 Ų1248.8 Ų48.87%0.07328%0.28CS..Hα-helixtrans-65-42.8176.8174.10000111.2M702 P729 V731 Y775 I786 I787 K788 G793 L794M702-V790 HydrophobicContact CE-CB 3.99Å; M702-V790 HydrophobicContact CE-CG1 3.8Å; M702-V790 HydrophobicContact SD-CG1 4.22Å; P729-V790 HydrophobicContact CB-CG1 3.73Å; P729-V790 HydrophobicContact CG-CG1 4.41Å; V731-V790 HydrophobicContact CG2-CB 4.33Å; V731-V790 HydrophobicContact CG2-CG2 4.02Å; Y775-V790 HydrophobicContact CD1-CG2 3.67Å; Y775-V790 HydrophobicContact CD2-CG2 3.96Å; Y775-V790 HydrophobicContact CE1-CG2 3.94Å; Y775-V790 HydrophobicContact CE2-CG2 4.24Å; Y775-V790 HydrophobicContact CG-CG2 3.67Å; I786-V790 WeakPolarHBondContact O-CG2 3.47Å; I786-V790 PolarHBondContact O-N 2.72Å; I786-V790 VanDerWaalsContact O-N 3.08Å; I787-V790 PolarHBondContact O-N 3.16Å; K788-V790 PolarHBondContact O-N 3.46Å; V790-G793 PolarHBondContact O-N 2.74Å; V790-L794 HydrophobicContact CG1-CD1 4.26Å; V790-L794 WeakPolarHBondContact O-CG 3.44Å; V790-L794 PolarHBondContact O-N 3.42Å; V790-L794 VanDerWaalsContact O-N 3.09Å
791Y98.7Very high97.4Very high19 Ų1956.5 Ų56.58%0.07532%0.316CS..Hα-helixtrans-61.5-51.3178175.4-95.5000112.4T668 D669 M702 I787 K788 G793 L794 V795 I800 P802T668-Y791 HydrophobicContact CG2-CD1 4.37Å; T668-Y791 HydrophobicContact CG2-CD2 3.84Å; T668-Y791 HydrophobicContact CG2-CG 3.71Å; D669-Y791 HydrophobicContact CB-CE2 4.13Å; D669-Y791 VanDerWaalsContact CB-OH 3.29Å; D669-Y791 WeakPolarHBondContact CB-OH 3.48Å; D669-Y791 PolarHBondContact N-OH 2.97Å; D669-Y791 WeakPolarHBondContact OD1-CE2 3.28Å; M702-Y791 HydrophobicContact SD-CD2 4.38Å; I787-Y791 WeakPolarHBondContact O-CB 3.24Å; I787-Y791 PolarHBondContact O-N 2.98Å; K788-Y791 PolarHBondContact O-N 3.47Å; Y791-G793 PolarHBondContact O-N 3.43Å; Y791-L794 WeakPolarHBondContact O-CA 3.35Å; Y791-L794 WeakPolarHBondContact O-CB 3.37Å; Y791-L794 PolarHBondContact O-N 2.88Å; Y791-V795 HydrophobicContact CD1-CG2 4.14Å; Y791-V795 HydrophobicContact CE1-CG2 3.61Å; Y791-V795 HydrophobicContact CE2-CG2 4.17Å; Y791-V795 PolarHBondContact O-N 3.27Å; Y791-I800 HydrophobicContact CD2-CD1 3.62Å; Y791-I800 HydrophobicContact CE2-CD1 3.68Å; Y791-I800 HydrophobicContact CE2-CG2 3.91Å; Y791-P802 WeakPolarHBondContact OH-CG 3.34Å
792D98.6Very high97.6Very high64 Ų6458.5 Ų58.534%0.34233%0.33SS..Hα-helixtrans-57.8-38.3178-68.2-15.9000111.1K788 L794 V795 S796K788-D792 IonicContact NZ-OD1 3.97Å; K788-D792 PolarHBondContact NZ-OD1 3.24Å; K788-D792 IonicContact NZ-OD2 3.74Å; K788-D792 PolarHBondContact NZ-OD2 3.23Å; K788-D792 VanDerWaalsContact O-CG 3.27Å; K788-D792 PolarHBondContact O-N 3.15Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.04Å; D792-V795 PolarHBondContact O-N 2.85Å; D792-S796 WeakPolarHBondContact O-CB 3.42Å; D792-S796 PolarHBondContact O-N 2.73Å; D792-S796 PolarHBondContact O-OG 2.63Å
793G98.3Very high97.5Very high29 Ų2960 Ų6030%0.29935%0.353SS..Hα-helixtrans-63.8-35.1174.400000113.5S789 V790 Y791 K797S789-G793 PolarHBondContact O-N 3.35Å; S789-G793 VanDerWaalsContact O-N 3.11Å; V790-G793 PolarHBondContact O-N 2.74Å; Y791-G793 PolarHBondContact O-N 3.43Å; G793-K797 WeakPolarHBondContact O-CD 3.41Å; G793-K797 VanDerWaalsContact O-CG 3.24Å; G793-K797 WeakPolarHBondContact O-CG 3.18Å; G793-K797 PolarHBondContact O-N 3.07Å
794L98.4Very high97.4Very high14 Ų1468.5 Ų68.57%0.07339%0.392CS..Hα-helixtrans-75.9-36176.4-70.7169.7000112.7M702 P729 V790 Y791 D792 K797 G798 V799 I800M702-L794 HydrophobicContact CB-CD1 3.85Å; M702-L794 HydrophobicContact CG-CD1 4.31Å; M702-L794 HydrophobicContact SD-CD1 4.23Å; P729-L794 HydrophobicContact CG-CD1 4.16Å; P729-L794 HydrophobicContact CG-CD2 4.06Å; V790-L794 HydrophobicContact CG1-CD1 4.26Å; V790-L794 WeakPolarHBondContact O-CG 3.44Å; V790-L794 PolarHBondContact O-N 3.42Å; V790-L794 VanDerWaalsContact O-N 3.09Å; Y791-L794 WeakPolarHBondContact O-CA 3.35Å; Y791-L794 WeakPolarHBondContact O-CB 3.37Å; Y791-L794 PolarHBondContact O-N 2.88Å; D792-L794 VanDerWaalsContact C-N 3.34Å; D792-L794 PolarHBondContact O-N 3.04Å; L794-K797 PolarHBondContact O-N 3.03Å; L794-G798 PolarHBondContact O-N 3.35Å; L794-V799 HydrophobicContact CB-CB 4.39Å; L794-V799 HydrophobicContact CD2-CB 4.06Å; L794-V799 HydrophobicContact CD2-CG1 4.07Å; L794-V799 HydrophobicContact CD2-CG2 4.25Å; L794-V799 PolarHBondContact O-N 3.08Å; L794-I800 HydrophobicContact CB-CD1 3.69Å; L794-I800 HydrophobicContact CB-CG1 4.05Å; L794-I800 HydrophobicContact CD1-CD1 3.9Å; L794-I800 HydrophobicContact CG-CD1 4.47Å; L794-I800 PolarHBondContact O-N 3.05Å
795V97.8Very high97.3Very high49 Ų4971.5 Ų71.530%0.29740%0.403SS..Hα-helixtrans-63.7-47.1172.2174.40000110.1Y791 D792 K797 G798 I800 P802Y791-V795 HydrophobicContact CD1-CG2 4.14Å; Y791-V795 HydrophobicContact CE1-CG2 3.61Å; Y791-V795 HydrophobicContact CE2-CG2 4.17Å; Y791-V795 PolarHBondContact O-N 3.27Å; D792-V795 PolarHBondContact O-N 2.85Å; V795-K797 PolarHBondContact O-N 2.96Å; V795-G798 PolarHBondContact O-N 2.82Å; V795-I800 HydrophobicContact CG2-CB 4Å; V795-I800 HydrophobicContact CG2-CG2 4.04Å; V795-P802 HydrophobicContact CG2-CG 4.39Å
796S97.8Very high97.1Very high106 Ų10670 Ų7074%0.74140%0.403SS*.Hα-helixtrans-61.3-30.1178.8-57.20000113D792 G798D792-S796 WeakPolarHBondContact O-CB 3.42Å; D792-S796 PolarHBondContact O-N 2.73Å; D792-S796 PolarHBondContact O-OG 2.63Å; S796-G798 VanDerWaalsContact C-N 3.31Å
797K97.5Very high96.8Very high162 Ų16273.2 Ų73.270%0.70443%0.426SS*.THydrogen-bonded Turntrans-83.4-2.4174.8-71.2171.9-176.21770113.8G793 L794 V795 V799G793-K797 WeakPolarHBondContact O-CD 3.41Å; G793-K797 VanDerWaalsContact O-CG 3.24Å; G793-K797 WeakPolarHBondContact O-CG 3.18Å; G793-K797 PolarHBondContact O-N 3.07Å; L794-K797 PolarHBondContact O-N 3.03Å; V795-K797 PolarHBondContact O-N 2.96Å; K797-V799 HydrophobicContact CB-CG2 4.07Å; K797-V799 PolarHBondContact O-N 2.99Å
798G96.4Very high96.6Very high42 Ų4273.7 Ų73.743%0.43343%0.429SS..THydrogen-bonded Turntrans70.611.8-176.600000114.8L794 V795 S796L794-G798 PolarHBondContact O-N 3.35Å; V795-G798 PolarHBondContact O-N 2.82Å; S796-G798 VanDerWaalsContact C-N 3.31Å
799V97.7Very high96.4Very high71 Ų7171.4 Ų71.443%0.4342%0.424SS..SBendtrans-72.9-35177178.20000110.9K701 L794 K797K701-V799 HydrophobicContact CB-CG1 4.46Å; K701-V799 HydrophobicContact CD-CG1 4.28Å; L794-V799 HydrophobicContact CB-CB 4.39Å; L794-V799 HydrophobicContact CD2-CB 4.06Å; L794-V799 HydrophobicContact CD2-CG1 4.07Å; L794-V799 HydrophobicContact CD2-CG2 4.25Å; L794-V799 PolarHBondContact O-N 3.08Å; K797-V799 HydrophobicContact CB-CG2 4.07Å; K797-V799 PolarHBondContact O-N 2.99Å
800I97.9Very high96.1Very high3 Ų372.4 Ų72.42%0.01543%0.427CS..  trans-112.1128.7172.3-63.6170.7000108K701 Y791 L794 V795 P802K701-I800 HydrophobicContact CB-CD1 3.81Å; K701-I800 HydrophobicContact CB-CG1 3.55Å; K701-I800 HydrophobicContact CG-CD1 4.41Å; K701-I800 HydrophobicContact CG-CG1 3.7Å; Y791-I800 HydrophobicContact CD2-CD1 3.62Å; Y791-I800 HydrophobicContact CE2-CD1 3.68Å; Y791-I800 HydrophobicContact CE2-CG2 3.91Å; L794-I800 HydrophobicContact CB-CD1 3.69Å; L794-I800 HydrophobicContact CB-CG1 4.05Å; L794-I800 HydrophobicContact CD1-CD1 3.9Å; L794-I800 HydrophobicContact CG-CD1 4.47Å; L794-I800 PolarHBondContact O-N 3.05Å; V795-I800 HydrophobicContact CG2-CB 4Å; V795-I800 HydrophobicContact CG2-CG2 4.04Å; I800-P802 HydrophobicContact CG2-CG 4.45Å
801Q95.8Very high95.7Very high166 Ų16672.8 Ų72.878%0.77643%0.429SS*.  trans-119.2103169.1-67.2179.231.600106.7A803Q801-A803 PolarHBondContact O-N 2.69Å
802P95.5Very high95.2Very high73 Ų7375.6 Ų75.647%0.47445%0.449SS..PPolyproline II helixtrans-58.7131.3-176.7-23.534000110.8Y791 V795 I800Y791-P802 WeakPolarHBondContact OH-CG 3.34Å; V795-P802 HydrophobicContact CG2-CG 4.39Å; I800-P802 HydrophobicContact CG2-CG 4.45Å
803A95Very high94.6Very high90 Ų9075.3 Ų75.374%0.74445%0.447SS*.PPolyproline II helixtrans-73.1155.7175.200000111.1Q801Q801-A803 PolarHBondContact O-N 2.69Å
804E94.2Very high94.1Very high180 Ų18078 Ų7884%0.84145%0.454SS*.PPolyproline II helixtrans-66.6138.2170.1-169.5176-17800110.4V806E804-V806 PolarHBondContact O-N 3.32Å
805E93.9Very high93.4Very high77 Ų7782 Ų8236%0.3647%0.469SS..PPolyproline II helixtrans-75.9124.1179.9-74.6-84.5-154.800110.7K640 R643K640-E805 VanDerWaalsContact CD-OE1 3.26Å; K640-E805 WeakPolarHBondContact CD-OE1 3.41Å; K640-E805 IonicContact NZ-OE1 2.69Å; K640-E805 PolarHBondContact NZ-OE1 3.42Å; R643-E805 IonicContact CZ-OE1 2.68Å; R643-E805 IonicContact CZ-OE2 3.8Å; R643-E805 IonicContact NE-OE1 2.78Å; R643-E805 PolarHBondContact NE-OE1 3.35Å; R643-E805 IonicContact NE-OE2 2.71Å; R643-E805 PolarHBondContact NE-OE2 3.12Å; R643-E805 IonicContact NH2-OE1 2.85Å; R643-E805 PolarHBondContact NH2-OE1 3.32Å; R643-E805 IonicContact NH2-OE2 3.59Å
806V93.3Very high92.8Very high108 Ų10883.6 Ų83.666%0.65548%0.482SS*.PPolyproline II helixtrans-103.2125.3174.2-179.50000108.8E804E804-V806 PolarHBondContact O-N 3.32Å
807P92.6Very high92Very high100 Ų10079.5 Ų79.565%0.64945%0.45SS*.PPolyproline II helixtrans-58.2133.2176.3-24.634.1000111.8
808P94.5Very high91.3Very high11 Ų1172.1 Ų72.17%0.07142%0.42CS..PPolyproline II helixtrans-73.4157.4178.628.6-32.5000111.7F437 V508 L637 Y642 T810F437-P808 HydrophobicContact CE1-CG 4.26Å; F437-P808 HydrophobicContact CZ-CG 4.33Å; V508-P808 HydrophobicContact CB-CB 4.23Å; L637-P808 HydrophobicContact CD2-CB 4.47Å; L637-P808 HydrophobicContact CD2-CG 3.68Å; Y642-P808 HydrophobicContact CD1-CB 4.31Å; Y642-P808 HydrophobicContact CD1-CG 4.06Å; Y642-P808 HydrophobicContact CD2-CB 3.65Å; Y642-P808 HydrophobicContact CD2-CG 4.03Å; Y642-P808 HydrophobicContact CE1-CG 3.89Å; Y642-P808 HydrophobicContact CE2-CB 3.88Å; Y642-P808 HydrophobicContact CE2-CG 3.85Å; Y642-P808 HydrophobicContact CG-CB 3.86Å; Y642-P808 HydrophobicContact CG-CG 4.12Å; P808-T810 PolarHBondContact O-N 2.92Å
809P94.6Very high90.7Very high42 Ų4277.4 Ų77.427%0.27343%0.427SS..PPolyproline II helixtrans-52.3138.8165.6-25.134.6000111.6Y507 V508 S510Y507-P809 HydrophobicContact CD1-CB 4.05Å; Y507-P809 HydrophobicContact CE1-CB 3.73Å; V508-P809 WeakPolarHBondContact CG1-O 3.48Å; V508-P809 WeakPolarHBondContact O-CD 3.37Å; S510-P809 WeakPolarHBondContact OG-CD 3.48Å; S510-P809 VanDerWaalsContact OG-CG 3.31Å; S510-P809 WeakPolarHBondContact OG-CG 3.5Å
810T91.1Very high89.8Confident103 Ų10377.8 Ų77.863%0.63242%0.424SS*.PPolyproline II helixtrans-87.1134.2-179.956.30000111.2P808P808-T810 PolarHBondContact O-N 2.92Å
811V90Very high88.9Confident19 Ų1980.7 Ų80.712%0.11544%0.439CS..  trans-105.3135.4171.1-177.70000108.7Y507 V508 L633Y507-V811 HydrophobicContact CD1-CG2 3.57Å; Y507-V811 HydrophobicContact CE1-CG2 4.16Å; Y507-V811 HydrophobicContact CG-CG2 4.44Å; V508-V811 HydrophobicContact CG1-CG2 3.76Å; L633-V811 HydrophobicContact CD2-CB 3.68Å; L633-V811 HydrophobicContact CD2-CG1 4.32Å; L633-V811 HydrophobicContact CD2-CG2 3.89Å
812P89.4Confident88.2Confident79 Ų7975.8 Ų75.851%0.51343%0.433SS..PPolyproline II helixtrans-58.7146.7174.7-22.133.2000112H535H535-P812 HydrophobicContact CB-CG 3.96Å
813M85.4Confident87.6Confident58 Ų5876.8 Ų76.829%0.28643%0.434SS..PPolyproline II helixtrans-68.2135.6173.3-170.7-176.2-68.500110.5L438 Y815 A818 L823L438-M813 HydrophobicContact CB-CE 3.93Å; L438-M813 HydrophobicContact CD1-CE 3.48Å; L438-M813 VanDerWaalsContact CD1-CE 3.48Å; L438-M813 HydrophobicContact CG-CE 4.29Å; M813-Y815 PolarHBondContact O-N 3.47Å; M813-A818 HydrophobicContact CG-CB 4.29Å; M813-A818 HydrophobicContact SD-CB 3.7Å; M813-L823 HydrophobicContact CE-CD1 3.83Å; M813-L823 HydrophobicContact SD-CD1 3.75Å
814D86.9Confident87.4Confident85 Ų8575.9 Ų75.946%0.45542%0.416SS..PPolyproline II helixtrans-58.1136.3174.2-79.1-37.4000111.9S816 W817 A818D814-S816 VanDerWaalsContact C-N 3.29Å; D814-S816 PolarHBondContact O-N 3.2Å; D814-W817 HydrophobicContact CB-CB 4.22Å; D814-W817 PolarHBondContact O-N 2.88Å; D814-W817 VanDerWaalsContact O-N 3.1Å; D814-A818 PolarHBondContact O-N 3.49Å
815Y85.1Confident87.1Confident99 Ų9979 Ų7939%0.38842%0.42SS..Hα-helixtrans-56-42179169.5-93.8000112.7M813 W817 R819 I824 K826M813-Y815 PolarHBondContact O-N 3.47Å; Y815-W817 VanDerWaalsContact C-N 3.3Å; Y815-W817 PolarHBondContact O-N 2.93Å; Y815-R819 WeakPolarHBondContact O-CB 3.46Å; Y815-R819 PolarHBondContact O-N 3.48Å; Y815-I824 HydrophobicContact CD2-CD1 3.4Å; Y815-I824 VanDerWaalsContact CD2-CD1 3.4Å; Y815-I824 HydrophobicContact CE2-CD1 3.6Å; Y815-I824 HydrophobicContact CG-CD1 4.34Å; Y815-K826 HydrophobicContact CE2-CB 4.05Å; Y815-K826 HydrophobicContact CE2-CD 3.89Å; Y815-K826 WeakPolarHBondContact OH-CB 3.37Å; Y815-K826 WeakPolarHBondContact OH-CD 3.4Å
816S84.7Confident86.8Confident82 Ų8281.5 Ų81.557%0.57343%0.429SS*.Hα-helixtrans-61.9-40.5179480000111.8D814 E820D814-S816 VanDerWaalsContact C-N 3.29Å; D814-S816 PolarHBondContact O-N 3.2Å; S816-E820 WeakPolarHBondContact O-CB 3.31Å; S816-E820 PolarHBondContact O-N 3Å
817W80.4Confident86.6Confident19 Ų1981.7 Ų81.77%0.07243%0.433CS..Hα-helixtrans-72.2-45.4-179.4-172.2-125.3000111.9N383 D814 Y815 R819 E820 L821N383-W817 HydrophobicContact CB-CH2 3.82Å; N383-W817 HydrophobicContact CB-CZ3 3.62Å; N383-W817 WeakPolarHBondContact OD1-CZ3 3.45Å; D814-W817 HydrophobicContact CB-CB 4.22Å; D814-W817 PolarHBondContact O-N 2.88Å; D814-W817 VanDerWaalsContact O-N 3.1Å; Y815-W817 VanDerWaalsContact C-N 3.3Å; Y815-W817 PolarHBondContact O-N 2.93Å; W817-R819 PolarHBondContact O-N 3.31Å; W817-E820 HydrophobicContact CE3-CB 4.33Å; W817-E820 HydrophobicContact CZ3-CG 4.4Å; W817-E820 PolarHBondContact O-N 2.84Å; W817-E820 VanDerWaalsContact O-N 3.16Å; W817-L821 HydrophobicContact CD2-CD1 4.25Å; W817-L821 HydrophobicContact CD2-CG 4.29Å; W817-L821 HydrophobicContact CG-CD1 4.48Å; W817-L821 HydrophobicContact CH2-CD2 3.97Å; W817-L821 HydrophobicContact CH2-CG 4.36Å; W817-L821 HydrophobicContact CZ2-CD1 3.9Å; W817-L821 HydrophobicContact CZ2-CD2 3.91Å; W817-L821 HydrophobicContact CZ2-CG 4.06Å; W817-L821 WeakPolarHBondContact O-CG 3.41Å; W817-L821 PolarHBondContact O-N 2.79Å
818A83.6Confident86.5Confident7 Ų781.1 Ų81.16%0.05844%0.437CS..Hα-helixtrans-59.2-36.7175.300000112.3M813 D814 G822 L823 I824M813-A818 HydrophobicContact CG-CB 4.29Å; M813-A818 HydrophobicContact SD-CB 3.7Å; D814-A818 PolarHBondContact O-N 3.49Å; A818-G822 PolarHBondContact O-N 3.19Å; A818-L823 PolarHBondContact O-N 2.88Å; A818-I824 HydrophobicContact CB-CD1 3.67Å; A818-I824 HydrophobicContact CB-CG1 3.75Å; A818-I824 HydrophobicContact CB-CG2 4.3Å
819R83.1Confident86.5Confident154 Ų15485.4 Ų85.458%0.58147%0.467SS*.Hα-helixtrans-70.3-42.3175.3-174.4-176.7-179.8-168.61.5112.1Y815 W817 L821 G822 I824Y815-R819 WeakPolarHBondContact O-CB 3.46Å; Y815-R819 PolarHBondContact O-N 3.48Å; W817-R819 PolarHBondContact O-N 3.31Å; R819-L821 VanDerWaalsContact C-N 3.31Å; R819-L821 PolarHBondContact O-N 3.07Å; R819-G822 PolarHBondContact O-N 3.2Å; R819-G822 VanDerWaalsContact O-N 3.09Å; R819-I824 HydrophobicContact CB-CG1 4.42Å
820E79.2Confident86.4Confident78 Ų7892.3 Ų92.336%0.36449%0.493SS..Hα-helixtrans-63.6-37.5179.1-170.5167.6-164.900111.6S816 W817 G822S816-E820 WeakPolarHBondContact O-CB 3.31Å; S816-E820 PolarHBondContact O-N 3Å; W817-E820 HydrophobicContact CE3-CB 4.33Å; W817-E820 HydrophobicContact CZ3-CG 4.4Å; W817-E820 PolarHBondContact O-N 2.84Å; W817-E820 VanDerWaalsContact O-N 3.16Å; E820-G822 VanDerWaalsContact C-N 3.26Å; E820-G822 PolarHBondContact O-N 3.14Å
821L78.2Confident86.6Confident65 Ų6596.6 Ų96.634%0.3451%0.508SS..THydrogen-bonded Turntrans-78.5-3.9174-64.4179.6000114.3W817 R819 L823W817-L821 HydrophobicContact CD2-CD1 4.25Å; W817-L821 HydrophobicContact CD2-CG 4.29Å; W817-L821 HydrophobicContact CG-CD1 4.48Å; W817-L821 HydrophobicContact CH2-CD2 3.97Å; W817-L821 HydrophobicContact CH2-CG 4.36Å; W817-L821 HydrophobicContact CZ2-CD1 3.9Å; W817-L821 HydrophobicContact CZ2-CD2 3.91Å; W817-L821 HydrophobicContact CZ2-CG 4.06Å; W817-L821 WeakPolarHBondContact O-CG 3.41Å; W817-L821 PolarHBondContact O-N 2.79Å; R819-L821 VanDerWaalsContact C-N 3.31Å; R819-L821 PolarHBondContact O-N 3.07Å; L821-L823 VanDerWaalsContact C-N 3.25Å; L821-L823 HydrophobicContact CB-CD1 4.12Å; L821-L823 HydrophobicContact CB-CG 3.89Å; L821-L823 HydrophobicContact CD1-CD1 4.07Å; L821-L823 PolarHBondContact O-N 3.47Å
822G81.4Confident86.8Confident63 Ų63101 Ų10165%0.64954%0.535SS*.THydrogen-bonded Turntrans69.217.3-178.100000115A818 R819 E820 I824A818-G822 PolarHBondContact O-N 3.19Å; R819-G822 PolarHBondContact O-N 3.2Å; R819-G822 VanDerWaalsContact O-N 3.09Å; E820-G822 VanDerWaalsContact C-N 3.26Å; E820-G822 PolarHBondContact O-N 3.14Å; G822-I824 VanDerWaalsContact C-N 3.31Å
823L82.7Confident87.1Confident93 Ų93101.4 Ų101.449%0.48754%0.54SS..SBendtrans-74-25.9179.9-61176.2000112.5M813 A818 L821M813-L823 HydrophobicContact CE-CD1 3.83Å; M813-L823 HydrophobicContact SD-CD1 3.75Å; A818-L823 PolarHBondContact O-N 2.88Å; L821-L823 VanDerWaalsContact C-N 3.25Å; L821-L823 HydrophobicContact CB-CD1 4.12Å; L821-L823 HydrophobicContact CB-CG 3.89Å; L821-L823 HydrophobicContact CD1-CD1 4.07Å; L821-L823 PolarHBondContact O-N 3.47Å
824I90Very high87.7Confident72 Ų72102 Ų10237%0.36954%0.543SS..  trans-131.1155178.163.7172.3000110.7Y815 A818 R819 G822Y815-I824 HydrophobicContact CD2-CD1 3.4Å; Y815-I824 VanDerWaalsContact CD2-CD1 3.4Å; Y815-I824 HydrophobicContact CE2-CD1 3.6Å; Y815-I824 HydrophobicContact CG-CD1 4.34Å; A818-I824 HydrophobicContact CB-CD1 3.67Å; A818-I824 HydrophobicContact CB-CG1 3.75Å; A818-I824 HydrophobicContact CB-CG2 4.3Å; R819-I824 HydrophobicContact CB-CG1 4.42Å; G822-I824 VanDerWaalsContact C-N 3.31Å
825R88.3Confident88.2Confident245 Ų24599.6 Ų99.693%0.92553%0.533SS*.  trans-122.4136169.363.3-176.5-178.4178.1-0.1109.5
826K88.6Confident88.6Confident129 Ų12997.2 Ų97.256%0.56153%0.527SS*.  trans-123.9124170-171.2-177.6179.7178.80108Y815Y815-K826 HydrophobicContact CE2-CB 4.05Å; Y815-K826 HydrophobicContact CE2-CD 3.89Å; Y815-K826 WeakPolarHBondContact OH-CB 3.37Å; Y815-K826 WeakPolarHBondContact OH-CD 3.4Å
827P89.3Confident88.9Confident113 Ų11399.8 Ų99.873%0.73453%0.53SS*.  trans-60.7139.7175.526.1-32.9000109.7S829P827-S829 PolarHBondContact O-N 2.98Å
828A90.4Very high89.1Confident88 Ų88108.5 Ų108.573%0.72756%0.563SS**  trans-66.7131.4173.700000109.1F830A828-F830 VanDerWaalsContact C-N 3.28Å
829S93.7Very high88.8Confident101 Ų101110.6 Ų110.671%0.70659%0.585SS**SBendtrans-78-16.5177.4-56.90000113P827P827-S829 PolarHBondContact O-N 2.98Å
830F93.4Very high88.6Confident187 Ų187110.7 Ų110.782%0.8259%0.592SS**  trans-133147.3-175.1-60.8-80.1000110.2A828A828-F830 VanDerWaalsContact C-N 3.28Å
831M94.2Very high88.9Confident193 Ų193110 Ų11095%0.95159%0.589SS**  trans-121.5135.9168.9-74.5175.949.800108.5
832T95.5Very high89.6Confident111 Ų111109.5 Ų109.568%0.68159%0.586SS**  trans-137.7145.6173.9-178.20000108.8
833S95.6Very high90.3Very high87 Ų87109 Ų10961%0.60857%0.568SS**  trans-133.5-6.3-177.754.10000113.7
834I97.3Very high91Very high70 Ų70107 Ų10736%0.35956%0.555SS.*SBendtrans-92.6-27.7-169.368174.4000113.5A845 L866 Q869I834-A845 PolarHBondContact O-N 2.86Å; I834-L866 VanDerWaalsContact CG2-O 3.24Å; I834-L866 WeakPolarHBondContact CG2-O 3.36Å; I834-Q869 HydrophobicContact CG2-CG 4.36Å
835C96.8Very high91.3Very high36 Ų36105 Ų10524%0.24355%0.549CS..EExtended strand (participates in β ladder)trans-151.8141-172-1750000110.2L842 L843 Y844C835-L842 VanDerWaalsContact SG-CD1 3.51Å; C835-L843 VanDerWaalsContact CA-O 3.26Å; C835-L843 WeakPolarHBondContact CA-O 3.46Å; C835-Y844 HydrophobicContact CB-CD1 4.45Å
836D94Very high91.6Very high48 Ų4896.2 Ų96.226%0.25754%0.535SS..EExtended strand (participates in β ladder)trans-129.5111.6166.7-166.1-14.5000109.8R838 L843D836-R838 WeakPolarHBondContact OD1-CB 3.44Å; D836-R838 WeakPolarHBondContact OD1-CG 3.36Å; D836-R838 IonicContact OD1-CZ 2.81Å; D836-R838 PolarHBondContact OD1-N 3.27Å; D836-R838 IonicContact OD1-NE 2.77Å; D836-R838 PolarHBondContact OD1-NE 3.03Å; D836-R838 IonicContact OD1-NH2 3.91Å; D836-R838 IonicContact OD2-CZ 3.5Å; D836-R838 IonicContact OD2-NE 3.6Å; D836-R838 IonicContact OD2-NH2 2.81Å; D836-R838 PolarHBondContact OD2-NH2 3.25Å; D836-L843 HydrophobicContact CB-CB 4.32Å; D836-L843 HydrophobicContact CB-CD1 4.48Å; D836-L843 PolarHBondContact N-O 3.06Å; D836-L843 PolarHBondContact O-N 3.17Å
837E92.2Very high92Very high137 Ų13791 Ų9164%0.6451%0.512SS*.  trans-97.9-1.8-179.276.8-80.3-163.800113.7L842E837-L842 HydrophobicContact CB-CD1 3.81Å
838R82.8Confident92.3Very high202 Ų20287 Ų8776%0.76249%0.487SS*.SBendtrans-84.1-17.1-171.2-55.4167.9-62.71734.3113.2D836D836-R838 WeakPolarHBondContact OD1-CB 3.44Å; D836-R838 WeakPolarHBondContact OD1-CG 3.36Å; D836-R838 IonicContact OD1-CZ 2.81Å; D836-R838 PolarHBondContact OD1-N 3.27Å; D836-R838 IonicContact OD1-NE 2.77Å; D836-R838 PolarHBondContact OD1-NE 3.03Å; D836-R838 IonicContact OD1-NH2 3.91Å; D836-R838 IonicContact OD2-CZ 3.5Å; D836-R838 IonicContact OD2-NE 3.6Å; D836-R838 IonicContact OD2-NH2 2.81Å; D836-R838 PolarHBondContact OD2-NH2 3.25Å
839G79.3Confident92.6Very high50 Ų5084.7 Ų84.752%0.51546%0.461SS..SBendtrans-73.7-176.2-178.300000113.6E841G839-E841 PolarHBondContact O-N 3.48Å
840Q77.8Confident92.6Very high157 Ų15784 Ų8473%0.73445%0.453SS*.SBendtrans-65.4-23.7170.8-66.8-63.9-42.700112
841E86.1Confident92.7Very high63 Ų6378.8 Ų78.829%0.29443%0.431SS..SBendtrans-137.5146.9-178.9-168.8177.8169.700109.4G839 P848 I849 T850G839-E841 PolarHBondContact O-N 3.48Å; E841-P848 HydrophobicContact CG-CB 4.37Å; E841-P848 WeakPolarHBondContact OE1-CB 3.46Å; E841-I849 HydrophobicContact CG-CG2 3.73Å; E841-I849 WeakPolarHBondContact OE1-CG2 3.33Å; E841-I849 PolarHBondContact OE1-N 2.93Å; E841-T850 WeakPolarHBondContact OE1-CA 3.23Å; E841-T850 WeakPolarHBondContact OE1-CB 3.48Å; E841-T850 WeakPolarHBondContact OE1-CG2 3.32Å; E841-T850 PolarHBondContact OE1-N 3.22Å; E841-T850 PolarHBondContact OE1-OG1 3.36Å; E841-T850 PolarHBondContact OE2-OG1 3.33Å
842L92.4Very high92.8Very high55 Ų5570 Ų7029%0.28839%0.388SS..  trans-66.5129.1173.7-179.165.2000110.2C835 E837 Y844 I849C835-L842 VanDerWaalsContact SG-CD1 3.51Å; E837-L842 HydrophobicContact CB-CD1 3.81Å; L842-Y844 HydrophobicContact CD1-CE1 4.17Å; L842-Y844 HydrophobicContact CD2-CD1 4.45Å; L842-Y844 HydrophobicContact CD2-CE1 3.6Å; L842-Y844 HydrophobicContact CG-CD1 4.26Å; L842-Y844 HydrophobicContact CG-CE1 3.83Å; L842-I849 HydrophobicContact CB-CB 4.2Å; L842-I849 HydrophobicContact CB-CG2 4.16Å; L842-I849 PolarHBondContact O-N 3.05Å
843L95.9Very high92.8Very high52 Ų5272.2 Ų72.227%0.27239%0.389SS..EExtended strand (participates in β ladder)trans-110.5128.6176.4-55.8-178.2000110.7C835 D836 M847 P848C835-L843 VanDerWaalsContact CA-O 3.26Å; C835-L843 WeakPolarHBondContact CA-O 3.46Å; D836-L843 HydrophobicContact CB-CB 4.32Å; D836-L843 HydrophobicContact CB-CD1 4.48Å; D836-L843 PolarHBondContact N-O 3.06Å; D836-L843 PolarHBondContact O-N 3.17Å; L843-M847 CarbonylContact C-O 3.44Å; L843-M847 WeakPolarHBondContact CA-O 3.28Å; L843-P848 HydrophobicContact CD2-CB 3.88Å; L843-P848 HydrophobicContact CD2-CG 3.78Å
844Y98.1Very high92.8Very high51 Ų5177 Ų7720%0.240%0.399CS..EExtended strand (participates in β ladder)trans-105111.2168.4-69-19.3000109.8C835 L842 G846 M847 I849 V852 T862 L866C835-Y844 HydrophobicContact CB-CD1 4.45Å; L842-Y844 HydrophobicContact CD1-CE1 4.17Å; L842-Y844 HydrophobicContact CD2-CD1 4.45Å; L842-Y844 HydrophobicContact CD2-CE1 3.6Å; L842-Y844 HydrophobicContact CG-CD1 4.26Å; L842-Y844 HydrophobicContact CG-CE1 3.83Å; Y844-G846 PolarHBondContact O-N 3.23Å; Y844-G846 VanDerWaalsContact O-N 3.13Å; Y844-M847 PolarHBondContact N-O 2.96Å; Y844-M847 WeakPolarHBondContact O-CB 3.42Å; Y844-M847 PolarHBondContact O-N 3.43Å; Y844-I849 HydrophobicContact CD2-CD1 4.01Å; Y844-I849 HydrophobicContact CE2-CD1 3.59Å; Y844-V852 HydrophobicContact CD2-CG2 4.42Å; Y844-T862 HydrophobicContact CD2-CG2 3.88Å; Y844-T862 HydrophobicContact CE2-CG2 3.81Å; Y844-L866 HydrophobicContact CD1-CD2 3.69Å; Y844-L866 HydrophobicContact CE1-CD2 4.12Å; Y844-L866 HydrophobicContact CG-CD2 3.92Å; Y844-L866 HydrophobicContact CG-CG 4.45Å
845A96.6Very high92.7Very high31 Ų3175.4 Ų75.426%0.25639%0.394SS..THydrogen-bonded Turntrans45.341.8-173.900000113.4I834 M847 L865 Q869I834-A845 PolarHBondContact O-N 2.86Å; A845-M847 VanDerWaalsContact C-N 3.33Å; A845-M847 PolarHBondContact O-N 3.34Å; A845-L865 HydrophobicContact CB-CB 4.17Å; A845-L865 HydrophobicContact CB-CD2 4.36Å; A845-L865 WeakPolarHBondContact CB-O 3.44Å; A845-Q869 HydrophobicContact CB-CB 3.83Å; A845-Q869 HydrophobicContact CB-CG 4.01Å
846G94.1Very high92.6Very high60 Ų6081.1 Ų81.162%0.61942%0.417SS*.THydrogen-bonded Turntrans85.1-9.9-17900000115.6Y844Y844-G846 PolarHBondContact O-N 3.23Å; Y844-G846 VanDerWaalsContact O-N 3.13Å
847M96.6Very high92.7Very high18 Ų1879.8 Ų79.89%0.08941%0.41CS..EExtended strand (participates in β ladder)trans-86.4123.3173.1-173.1175.4-78.800110.5L843 Y844 A845 E851 V852 I857 L865 R871L843-M847 CarbonylContact C-O 3.44Å; L843-M847 WeakPolarHBondContact CA-O 3.28Å; Y844-M847 PolarHBondContact N-O 2.96Å; Y844-M847 WeakPolarHBondContact O-CB 3.42Å; Y844-M847 PolarHBondContact O-N 3.43Å; A845-M847 VanDerWaalsContact C-N 3.33Å; A845-M847 PolarHBondContact O-N 3.34Å; M847-E851 HydrophobicContact CG-CB 3.91Å; M847-E851 HydrophobicContact CG-CG 4.09Å; M847-E851 HydrophobicContact SD-CG 4.3Å; M847-V852 HydrophobicContact CB-CG2 4.29Å; M847-V852 HydrophobicContact CG-CG2 3.8Å; M847-V852 HydrophobicContact SD-CB 4.46Å; M847-V852 HydrophobicContact SD-CG2 3.7Å; M847-I857 HydrophobicContact SD-CD1 4.09Å; M847-L865 HydrophobicContact CB-CD1 4.05Å; M847-L865 HydrophobicContact CB-CD2 4.41Å; M847-L865 HydrophobicContact CG-CD1 4.49Å; M847-L865 HydrophobicContact SD-CD1 3.93Å; M847-R871 HydrophobicContact CE-CG 4.13Å
848P96.3Very high92.8Very high31 Ų3175.1 Ų75.120%0.20140%0.398CS..EExtended strand (participates in β ladder)trans-62.3145174.7-19.331000112.6E841 L843 T850 E851 V852E841-P848 HydrophobicContact CG-CB 4.37Å; E841-P848 WeakPolarHBondContact OE1-CB 3.46Å; L843-P848 HydrophobicContact CD2-CB 3.88Å; L843-P848 HydrophobicContact CD2-CG 3.78Å; P848-T850 PolarHBondContact O-N 3.4Å; P848-E851 WeakPolarHBondContact O-CA 3.36Å; P848-E851 WeakPolarHBondContact O-CB 3.44Å; P848-E851 PolarHBondContact O-N 3.44Å; P848-V852 PolarHBondContact O-N 3.41Å
849I96Very high93.5Very high38 Ų3870.3 Ų70.320%0.19539%0.387CS..Hα-helixtrans-58.9-33.7-177.3-16762.6000112.5E841 L842 Y844 E851 V852 F853E841-I849 HydrophobicContact CG-CG2 3.73Å; E841-I849 WeakPolarHBondContact OE1-CG2 3.33Å; E841-I849 PolarHBondContact OE1-N 2.93Å; L842-I849 HydrophobicContact CB-CB 4.2Å; L842-I849 HydrophobicContact CB-CG2 4.16Å; L842-I849 PolarHBondContact O-N 3.05Å; Y844-I849 HydrophobicContact CD2-CD1 4.01Å; Y844-I849 HydrophobicContact CE2-CD1 3.59Å; I849-E851 VanDerWaalsContact C-N 3.35Å; I849-V852 HydrophobicContact CD1-CB 4.33Å; I849-V852 HydrophobicContact CD1-CG1 4.42Å; I849-V852 WeakPolarHBondContact O-CB 3.47Å; I849-V852 PolarHBondContact O-N 2.91Å; I849-F853 HydrophobicContact CD1-CD2 4.43Å; I849-F853 HydrophobicContact CD1-CE2 4.05Å; I849-F853 HydrophobicContact CG1-CD2 4.15Å; I849-F853 HydrophobicContact CG1-CE2 3.92Å; I849-F853 VanDerWaalsContact O-CD2 3.24Å; I849-F853 WeakPolarHBondContact O-CD2 3.26Å; I849-F853 PolarHBondContact O-N 2.89Å; I849-F853 VanDerWaalsContact O-N 3.13Å
850T93.4Very high94.4Very high86 Ų8668 Ų6853%0.52836%0.363SS..Hα-helixtrans-63.8-38.7173.154.70000111.9E841 P848 F853 K854E841-T850 WeakPolarHBondContact OE1-CA 3.23Å; E841-T850 WeakPolarHBondContact OE1-CB 3.48Å; E841-T850 WeakPolarHBondContact OE1-CG2 3.32Å; E841-T850 PolarHBondContact OE1-N 3.22Å; E841-T850 PolarHBondContact OE1-OG1 3.36Å; E841-T850 PolarHBondContact OE2-OG1 3.33Å; P848-T850 PolarHBondContact O-N 3.4Å; T850-F853 PolarHBondContact O-N 3.48Å; T850-K854 VanDerWaalsContact O-CB 3.23Å; T850-K854 WeakPolarHBondContact O-CB 3.3Å; T850-K854 PolarHBondContact O-N 2.95Å
851E96.1Very high95.3Very high78 Ų7860.5 Ų60.536%0.36433%0.328SS..Hα-helixtrans-70.6-36.1175.3-169.6-178.9166.300111.8M847 P848 I849 F853 K854 S855 R871M847-E851 HydrophobicContact CG-CB 3.91Å; M847-E851 HydrophobicContact CG-CG 4.09Å; M847-E851 HydrophobicContact SD-CG 4.3Å; P848-E851 WeakPolarHBondContact O-CA 3.36Å; P848-E851 WeakPolarHBondContact O-CB 3.44Å; P848-E851 PolarHBondContact O-N 3.44Å; I849-E851 VanDerWaalsContact C-N 3.35Å; E851-F853 VanDerWaalsContact C-N 3.32Å; E851-F853 PolarHBondContact O-N 3.45Å; E851-K854 PolarHBondContact O-N 3.4Å; E851-S855 WeakPolarHBondContact O-CB 3.33Å; E851-S855 PolarHBondContact O-N 2.9Å; E851-S855 PolarHBondContact O-OG 2.88Å; E851-R871 IonicContact OE1-NH1 3.76Å
852V95.9Very high95.9Very high8 Ų858.8 Ų58.85%0.04832%0.322CS..Hα-helixtrans-55.4-48.5172.7169.60000110.5Y844 M847 P848 I849 I857 L865Y844-V852 HydrophobicContact CD2-CG2 4.42Å; M847-V852 HydrophobicContact CB-CG2 4.29Å; M847-V852 HydrophobicContact CG-CG2 3.8Å; M847-V852 HydrophobicContact SD-CB 4.46Å; M847-V852 HydrophobicContact SD-CG2 3.7Å; P848-V852 PolarHBondContact O-N 3.41Å; I849-V852 HydrophobicContact CD1-CB 4.33Å; I849-V852 HydrophobicContact CD1-CG1 4.42Å; I849-V852 WeakPolarHBondContact O-CB 3.47Å; I849-V852 PolarHBondContact O-N 2.91Å; V852-I857 HydrophobicContact CB-CD1 4.37Å; V852-I857 HydrophobicContact CG1-CD1 3.94Å; V852-I857 HydrophobicContact CG1-CG1 3.97Å; V852-I857 HydrophobicContact CG2-CD1 4.26Å; V852-L865 HydrophobicContact CG2-CD1 3.77Å
853F95.6Very high96.1Very high159 Ų15956.8 Ų56.870%0.69731%0.311SS*.Hα-helixtrans-69.5-45.7176.7-79.6-75000112.5I849 T850 E851 S855 E856I849-F853 HydrophobicContact CD1-CD2 4.43Å; I849-F853 HydrophobicContact CD1-CE2 4.05Å; I849-F853 HydrophobicContact CG1-CD2 4.15Å; I849-F853 HydrophobicContact CG1-CE2 3.92Å; I849-F853 VanDerWaalsContact O-CD2 3.24Å; I849-F853 WeakPolarHBondContact O-CD2 3.26Å; I849-F853 PolarHBondContact O-N 2.89Å; I849-F853 VanDerWaalsContact O-N 3.13Å; T850-F853 PolarHBondContact O-N 3.48Å; E851-F853 VanDerWaalsContact C-N 3.32Å; E851-F853 PolarHBondContact O-N 3.45Å; F853-S855 PolarHBondContact O-N 3.44Å; F853-E856 PolarHBondContact O-N 3.3Å; F853-E856 VanDerWaalsContact O-N 3.08Å
854K96Very high96.2Very high187 Ų18754.3 Ų54.381%0.81330%0.298SS*.Hα-helixtrans-61.4-32.1-179-174.6178.6179-177.80112.7T850 E851 E856T850-K854 VanDerWaalsContact O-CB 3.23Å; T850-K854 WeakPolarHBondContact O-CB 3.3Å; T850-K854 PolarHBondContact O-N 2.95Å; E851-K854 PolarHBondContact O-N 3.4Å; K854-E856 VanDerWaalsContact C-N 3.33Å
855S94.2Very high96.2Very high36 Ų3652.1 Ų52.125%0.25229%0.29SS..THydrogen-bonded Turntrans-86.9-0.7179.8-63.30000113.8E851 F853 I857 R871E851-S855 WeakPolarHBondContact O-CB 3.33Å; E851-S855 PolarHBondContact O-N 2.9Å; E851-S855 PolarHBondContact O-OG 2.88Å; F853-S855 PolarHBondContact O-N 3.44Å; S855-I857 PolarHBondContact O-N 3.45Å; S855-I857 VanDerWaalsContact O-N 3.13Å; S855-R871 PolarHBondContact OG-NH2 3.05Å
856E96.3Very high96.2Very high157 Ų15752.6 Ų52.673%0.73429%0.288SS*.THydrogen-bonded Turntrans50.437.8177.2-56.4-175.4127.100113.9F853 K854 G858F853-E856 PolarHBondContact O-N 3.3Å; F853-E856 VanDerWaalsContact O-N 3.08Å; K854-E856 VanDerWaalsContact C-N 3.33Å; E856-G858 PolarHBondContact O-N 3.42Å
857I94.1Very high96.4Very high20 Ų2053.5 Ų53.510%0.10327%0.273CS..  trans-76.2-9.2-173.168.2175.1000113.7M847 V852 S855 G861 L865M847-I857 HydrophobicContact SD-CD1 4.09Å; V852-I857 HydrophobicContact CB-CD1 4.37Å; V852-I857 HydrophobicContact CG1-CD1 3.94Å; V852-I857 HydrophobicContact CG1-CG1 3.97Å; V852-I857 HydrophobicContact CG2-CD1 4.26Å; S855-I857 PolarHBondContact O-N 3.45Å; S855-I857 VanDerWaalsContact O-N 3.13Å; I857-G861 WeakPolarHBondContact O-CA 3.32Å; I857-G861 PolarHBondContact O-N 3.44Å; I857-L865 HydrophobicContact CD1-CD1 3.61Å; I857-L865 HydrophobicContact CD1-CG 4.3Å
858G95.5Very high96.4Very high38 Ų3852.9 Ų52.939%0.39227%0.27SS..Hα-helixtrans69.4-170.1174.900000114.8E856 T862E856-G858 PolarHBondContact O-N 3.42Å; G858-T862 WeakPolarHBondContact O-CB 3.25Å; G858-T862 PolarHBondContact O-N 2.78Å; G858-T862 PolarHBondContact O-OG1 3.25Å
859L97.4Very high96.5Very high102 Ų10254.7 Ų54.753%0.53428%0.276SS..Hα-helixtrans-68.7-39.4176.4179.262.9000110.3G861 T862 L863 E881 L884L859-G861 PolarHBondContact O-N 3.15Å; L859-T862 PolarHBondContact O-N 3.03Å; L859-L863 HydrophobicContact CG-CD1 4.21Å; L859-L863 WeakPolarHBondContact O-CG 3Å; L859-L863 PolarHBondContact O-N 3.14Å; L859-E881 HydrophobicContact CB-CG 4.32Å; L859-E881 PolarHBondContact N-OE1 3.41Å; L859-L884 HydrophobicContact CD2-CD1 4.03Å
860G97.4Very high96.5Very high0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-62.1-41.1177.300000112.7L863 G864 C877 E881G860-L863 PolarHBondContact O-N 3.5Å; G860-G864 PolarHBondContact O-N 3.17Å; G860-C877 WeakPolarHBondContact CA-O 2.97Å; G860-E881 PolarHBondContact N-OE1 3.32Å
861G97.4Very high96.7Very high1 Ų160.2 Ų60.21%0.0128%0.284CS..Hα-helixtrans-70.9-36.8175.400000113.1I857 L859 L863 G864 L865 C877I857-G861 WeakPolarHBondContact O-CA 3.32Å; I857-G861 PolarHBondContact O-N 3.44Å; L859-G861 PolarHBondContact O-N 3.15Å; G861-L863 VanDerWaalsContact C-N 3.35Å; G861-G864 WeakPolarHBondContact O-CA 3.3Å; G861-G864 PolarHBondContact O-N 3.26Å; G861-G864 VanDerWaalsContact O-N 3.13Å; G861-L865 PolarHBondContact O-N 3.14Å; G861-C877 WeakPolarHBondContact CA-SG 3.49Å
862T97.8Very high96.7Very high27 Ų2757 Ų5717%0.16627%0.269CS..Hα-helixtrans-63.5-41.1173.6-56.50000111.4Y844 G858 L859 G864 L865 L866Y844-T862 HydrophobicContact CD2-CG2 3.88Å; Y844-T862 HydrophobicContact CE2-CG2 3.81Å; G858-T862 WeakPolarHBondContact O-CB 3.25Å; G858-T862 PolarHBondContact O-N 2.78Å; G858-T862 PolarHBondContact O-OG1 3.25Å; L859-T862 PolarHBondContact O-N 3.03Å; T862-G864 VanDerWaalsContact C-N 3.31Å; T862-L865 PolarHBondContact O-N 3.2Å; T862-L866 HydrophobicContact CG2-CD1 4.02Å; T862-L866 HydrophobicContact CG2-CG 4.49Å; T862-L866 WeakPolarHBondContact O-CG 3.44Å; T862-L866 PolarHBondContact O-N 3.18Å
863L97.9Very high96.7Very high12 Ų1258.5 Ų58.56%0.06328%0.28CS..Hα-helixtrans-63.2-38.3171.2-72.3168.5000111.6L859 G860 G861 L865 L866 W867 I880 L884 L1053L859-L863 HydrophobicContact CG-CD1 4.21Å; L859-L863 WeakPolarHBondContact O-CG 3Å; L859-L863 PolarHBondContact O-N 3.14Å; G860-L863 PolarHBondContact O-N 3.5Å; G861-L863 VanDerWaalsContact C-N 3.35Å; L863-L865 VanDerWaalsContact C-N 3.31Å; L863-L865 PolarHBondContact O-N 3.3Å; L863-L866 PolarHBondContact O-N 3.42Å; L863-W867 HydrophobicContact CD2-CD2 4.09Å; L863-W867 HydrophobicContact CD2-CG 4.49Å; L863-W867 HydrophobicContact CD2-CH2 4.4Å; L863-W867 HydrophobicContact CD2-CZ2 3.73Å; L863-W867 WeakPolarHBondContact O-CB 3.24Å; L863-W867 PolarHBondContact O-N 3.41Å; L863-I880 HydrophobicContact CD1-CG2 3.9Å; L863-L884 HydrophobicContact CD1-CD1 3.7Å; L863-L1053 HydrophobicContact CD1-CD2 3.73Å; L863-L1053 HydrophobicContact CD2-CD2 3.65Å; L863-L1053 HydrophobicContact CG-CD2 4.34Å
864G97.6Very high96.8Very high0 Ų058.6 Ų58.60%028%0.28CS..Hα-helixtrans-53.2-47171.100000113.1G860 G861 T862 F868 Q869 R870G860-G864 PolarHBondContact O-N 3.17Å; G861-G864 WeakPolarHBondContact O-CA 3.3Å; G861-G864 PolarHBondContact O-N 3.26Å; G861-G864 VanDerWaalsContact O-N 3.13Å; T862-G864 VanDerWaalsContact C-N 3.31Å; G864-F868 CarbonylContact O-C 3.23Å; G864-F868 WeakPolarHBondContact O-CA 3.26Å; G864-F868 VanDerWaalsContact O-CB 3.32Å; G864-F868 WeakPolarHBondContact O-CB 3.43Å; G864-F868 PolarHBondContact O-N 3.27Å; G864-F868 VanDerWaalsContact O-N 3.17Å; G864-Q869 PolarHBondContact O-N 3.15Å; G864-Q869 VanDerWaalsContact O-N 3.08Å; G864-R870 CarbonylContact C-O 3.46Å; G864-R870 PolarHBondContact O-N 3.25Å; G864-R870 VanDerWaalsContact O-N 3.12Å
865L97.7Very high96.8Very high6 Ų651.7 Ų51.73%0.03125%0.249CC..Hα-helixtrans-68-48.8176.6-63.7173.3000111.8A845 M847 V852 I857 G861 T862 L863 Q869 R870 R871A845-L865 HydrophobicContact CB-CB 4.17Å; A845-L865 HydrophobicContact CB-CD2 4.36Å; A845-L865 WeakPolarHBondContact CB-O 3.44Å; M847-L865 HydrophobicContact CB-CD1 4.05Å; M847-L865 HydrophobicContact CB-CD2 4.41Å; M847-L865 HydrophobicContact CG-CD1 4.49Å; M847-L865 HydrophobicContact SD-CD1 3.93Å; V852-L865 HydrophobicContact CG2-CD1 3.77Å; I857-L865 HydrophobicContact CD1-CD1 3.61Å; I857-L865 HydrophobicContact CD1-CG 4.3Å; G861-L865 PolarHBondContact O-N 3.14Å; T862-L865 PolarHBondContact O-N 3.2Å; L863-L865 VanDerWaalsContact C-N 3.31Å; L863-L865 PolarHBondContact O-N 3.3Å; L865-Q869 WeakPolarHBondContact O-CA 3.07Å; L865-Q869 PolarHBondContact O-N 2.79Å; L865-R870 PolarHBondContact N-O 3.17Å; L865-R871 HydrophobicContact CD2-CB 4.48Å
866L97.9Very high97Very high41 Ų4150 Ų5022%0.21524%0.237CC..Hα-helixtrans-73.9-43.5-172.4-68175.2000113.1I834 Y844 T862 L863 Q869I834-L866 VanDerWaalsContact CG2-O 3.24Å; I834-L866 WeakPolarHBondContact CG2-O 3.36Å; Y844-L866 HydrophobicContact CD1-CD2 3.69Å; Y844-L866 HydrophobicContact CE1-CD2 4.12Å; Y844-L866 HydrophobicContact CG-CD2 3.92Å; Y844-L866 HydrophobicContact CG-CG 4.45Å; T862-L866 HydrophobicContact CG2-CD1 4.02Å; T862-L866 HydrophobicContact CG2-CG 4.49Å; T862-L866 WeakPolarHBondContact O-CG 3.44Å; T862-L866 PolarHBondContact O-N 3.18Å; L863-L866 PolarHBondContact O-N 3.42Å; L866-Q869 PolarHBondContact O-NE2 2.78Å; L866-Q869 VanDerWaalsContact O-NE2 3.1Å
867W97.6Very high97Very high79 Ų7942.9 Ų42.930%0.29920%0.204SC..Hα-helixtrans-84.8-37.4-175.4-67.17.7000112.1L863 Q869 F1041 G1049 I1050 L1053L863-W867 HydrophobicContact CD2-CD2 4.09Å; L863-W867 HydrophobicContact CD2-CG 4.49Å; L863-W867 HydrophobicContact CD2-CH2 4.4Å; L863-W867 HydrophobicContact CD2-CZ2 3.73Å; L863-W867 WeakPolarHBondContact O-CB 3.24Å; L863-W867 PolarHBondContact O-N 3.41Å; W867-Q869 VanDerWaalsContact C-NE2 3.28Å; W867-Q869 PolarHBondContact O-NE2 2.85Å; W867-Q869 VanDerWaalsContact O-NE2 3.07Å; W867-F1041 WeakPolarHBondContact O-CE1 3.32Å; W867-G1049 WeakPolarHBondContact CH2-O 3.33Å; W867-I1050 HydrophobicContact CE3-CD1 4.43Å; W867-I1050 HydrophobicContact CH2-CD1 4.15Å; W867-I1050 HydrophobicContact CZ3-CD1 3.54Å; W867-I1050 HydrophobicContact CZ3-CG1 3.93Å; W867-L1053 HydrophobicContact CH2-CB 4.24Å; W867-L1053 HydrophobicContact CH2-CD2 4.01Å; W867-L1053 HydrophobicContact CZ2-CB 4.42Å; W867-L1053 HydrophobicContact CZ2-CD2 3.82Å
868F97.1Very high97.2Very high4 Ų446.4 Ų46.42%0.01822%0.22CC..Hα-helixtrans-115.6-8.7-171-49.7-53.1000113.8G864 R870 L872 F1023 F1033 F1041 A1046G864-F868 CarbonylContact O-C 3.23Å; G864-F868 WeakPolarHBondContact O-CA 3.26Å; G864-F868 VanDerWaalsContact O-CB 3.32Å; G864-F868 WeakPolarHBondContact O-CB 3.43Å; G864-F868 PolarHBondContact O-N 3.27Å; G864-F868 VanDerWaalsContact O-N 3.17Å; F868-R870 HydrophobicContact CB-CB 4.49Å; F868-R870 HydrophobicContact CB-CG 4.45Å; F868-R870 WeakPolarHBondContact O-CG 3.11Å; F868-R870 PolarHBondContact O-N 3.26Å; F868-L872 HydrophobicContact CD2-CD1 4.24Å; F868-F1023 HydrophobicContact CE2-CZ 4.33Å; F868-F1023 HydrophobicContact CZ-CE1 4.03Å; F868-F1023 HydrophobicContact CZ-CZ 4.04Å; F868-F1033 HydrophobicContact CB-CE1 3.73Å; F868-F1033 HydrophobicContact CB-CZ 3.65Å; F868-F1033 HydrophobicContact CD2-CZ 4.23Å; F868-F1033 HydrophobicContact CG-CE1 4.24Å; F868-F1033 AromaticContact CG-CZ 3.91Å; F868-F1033 HydrophobicContact CG-CZ 3.91Å; F868-F1041 HydrophobicContact CB-CE2 4.38Å; F868-F1041 HydrophobicContact CB-CZ 4.23Å; F868-F1041 AromaticContact CD1-CD1 3.57Å; F868-F1041 HydrophobicContact CD1-CD1 3.57Å; F868-F1041 AromaticContact CD1-CD2 3.97Å; F868-F1041 HydrophobicContact CD1-CD2 3.97Å; F868-F1041 AromaticContact CD1-CE1 3.65Å; F868-F1041 HydrophobicContact CD1-CE1 3.65Å; F868-F1041 HydrophobicContact CD1-CE2 4.04Å; F868-F1041 AromaticContact CD1-CG 3.76Å; F868-F1041 HydrophobicContact CD1-CG 3.76Å; F868-F1041 AromaticContact CD1-CZ 3.9Å; F868-F1041 HydrophobicContact CD1-CZ 3.9Å; F868-F1041 HydrophobicContact CE1-CB 4.3Å; F868-F1041 AromaticContact CE1-CD1 3.88Å; F868-F1041 HydrophobicContact CE1-CD1 3.88Å; F868-F1041 HydrophobicContact CE1-CE1 4.37Å; F868-F1041 AromaticContact CE1-CG 3.99Å; F868-F1041 HydrophobicContact CE1-CG 3.99Å; F868-A1046 HydrophobicContact CE1-CB 3.86Å; F868-A1046 HydrophobicContact CZ-CB 4.22Å
869Q97.1Very high97.4Very high70 Ų7044.6 Ų44.633%0.32720%0.202SC..SBendtrans55.631.5-174.7-53.883.861.600112.9I834 A845 G864 L865 L866 W867I834-Q869 HydrophobicContact CG2-CG 4.36Å; A845-Q869 HydrophobicContact CB-CB 3.83Å; A845-Q869 HydrophobicContact CB-CG 4.01Å; G864-Q869 PolarHBondContact O-N 3.15Å; G864-Q869 VanDerWaalsContact O-N 3.08Å; L865-Q869 WeakPolarHBondContact O-CA 3.07Å; L865-Q869 PolarHBondContact O-N 2.79Å; L866-Q869 PolarHBondContact O-NE2 2.78Å; L866-Q869 VanDerWaalsContact O-NE2 3.1Å; W867-Q869 VanDerWaalsContact C-NE2 3.28Å; W867-Q869 PolarHBondContact O-NE2 2.85Å; W867-Q869 VanDerWaalsContact O-NE2 3.07Å
870R96.7Very high97.4Very high97 Ų9739.8 Ų39.837%0.36618%0.176SC..  trans-124.9138.3-179.8-62.2-54.7-178.6-175.71111.6G864 L865 F868 L872 G1032 F1033 E1037G864-R870 CarbonylContact C-O 3.46Å; G864-R870 PolarHBondContact O-N 3.25Å; G864-R870 VanDerWaalsContact O-N 3.12Å; L865-R870 PolarHBondContact N-O 3.17Å; F868-R870 HydrophobicContact CB-CB 4.49Å; F868-R870 HydrophobicContact CB-CG 4.45Å; F868-R870 WeakPolarHBondContact O-CG 3.11Å; F868-R870 PolarHBondContact O-N 3.26Å; R870-L872 HydrophobicContact CB-CD2 3.99Å; R870-L872 PolarHBondContact O-N 3.39Å; R870-G1032 WeakPolarHBondContact CD-O 3.45Å; R870-G1032 PolarHBondContact NE-O 2.84Å; R870-F1033 HydrophobicContact CB-CE1 4.45Å; R870-F1033 HydrophobicContact CB-CZ 4.22Å; R870-F1033 HydrophobicContact CG-CD1 4.24Å; R870-F1033 HydrophobicContact CG-CE1 3.6Å; R870-F1033 HydrophobicContact CG-CZ 3.84Å; R870-E1037 IonicContact CZ-OE1 3.21Å; R870-E1037 IonicContact NH2-OE1 3.54Å; R870-E1037 PolarHBondContact NH2-OE1 3Å; R870-E1037 IonicContact NH2-OE2 3.24Å
871R96.6Very high97.4Very high142 Ų14242.9 Ų42.954%0.53619%0.191SC..  trans-78.896.1163.2-173.9-172.7-1761564108.5M847 E851 S855 L865M847-R871 HydrophobicContact CE-CG 4.13Å; E851-R871 IonicContact OE1-NH1 3.76Å; S855-R871 PolarHBondContact OG-NH2 3.05Å; L865-R871 HydrophobicContact CD2-CB 4.48Å
872L96.8Very high97.5Very high10 Ų1044.3 Ų44.35%0.05220%0.198CC..  trans-72.1154.1-177.6-62179.7000112.4F868 R870 A876 I880 F1033F868-L872 HydrophobicContact CD2-CD1 4.24Å; R870-L872 HydrophobicContact CB-CD2 3.99Å; R870-L872 PolarHBondContact O-N 3.39Å; L872-A876 HydrophobicContact CB-CB 4.15Å; L872-I880 HydrophobicContact CD1-CD1 3.52Å; L872-F1033 HydrophobicContact CD2-CE2 3.59Å; L872-F1033 HydrophobicContact CD2-CZ 3.81Å
873P96.9Very high97.5Very high41 Ų4143 Ų4327%0.26619%0.19SC..  trans-57.8149.5169.1-24.134.3000112Y875 A876 C877 C1030P873-Y875 VanDerWaalsContact C-N 3.29Å; P873-Y875 HydrophobicContact CB-CD1 3.68Å; P873-Y875 HydrophobicContact CB-CE1 3.39Å; P873-Y875 HydrophobicContact CG-CE1 3.98Å; P873-Y875 PolarHBondContact O-N 2.59Å; P873-A876 HydrophobicContact CB-CB 4.49Å; P873-A876 WeakPolarHBondContact O-CA 3.28Å; P873-A876 WeakPolarHBondContact O-CB 3.47Å; P873-A876 PolarHBondContact O-N 3.23Å; P873-C877 PolarHBondContact O-N 3.48Å; P873-C877 PolarHBondContact O-SG 3.43Å; P873-C877 VanDerWaalsContact O-SG 3.4Å; P873-C1030 HydrophobicContact CG-CB 4.28Å; P873-C1030 WeakPolarHBondContact CG-O 3.21Å
874K96Very high97.5Very high160 Ų16042.7 Ų42.770%0.69619%0.188SC*.Hα-helixtrans-55.5-39.9-175.8-171.6171.3-178.3169.20113.6A876 C877 Q878K874-A876 VanDerWaalsContact C-N 3.29Å; K874-A876 PolarHBondContact O-N 3.25Å; K874-C877 WeakPolarHBondContact O-CB 3.4Å; K874-C877 PolarHBondContact O-N 2.78Å; K874-Q878 WeakPolarHBondContact O-CB 3.43Å; K874-Q878 PolarHBondContact O-N 2.88Å
875Y97.3Very high97.5Very high43 Ų4349.3 Ų49.317%0.16922%0.221CC..Hα-helixtrans-65.4-33.2177.475-94.3000112.3P873 F879 N987 F988 P989 C1030P873-Y875 VanDerWaalsContact C-N 3.29Å; P873-Y875 HydrophobicContact CB-CD1 3.68Å; P873-Y875 HydrophobicContact CB-CE1 3.39Å; P873-Y875 HydrophobicContact CG-CE1 3.98Å; P873-Y875 PolarHBondContact O-N 2.59Å; Y875-F879 VanDerWaalsContact O-CB 3.3Å; Y875-F879 WeakPolarHBondContact O-CB 3.46Å; Y875-F879 PolarHBondContact O-N 2.7Å; Y875-N987 HydrophobicContact CG-CB 4.4Å; Y875-F988 AromaticContact CD2-CD1 3.77Å; Y875-F988 HydrophobicContact CD2-CD1 3.77Å; Y875-F988 AromaticContact CD2-CE1 3.85Å; Y875-F988 HydrophobicContact CD2-CE1 3.85Å; Y875-F988 AromaticContact CE2-CD1 3.79Å; Y875-F988 HydrophobicContact CE2-CD1 3.79Å; Y875-F988 AromaticContact CE2-CE1 3.99Å; Y875-F988 HydrophobicContact CE2-CE1 3.99Å; Y875-F988 HydrophobicContact CE2-CG 4.29Å; Y875-P989 WeakPolarHBondContact OH-CD 3.33Å; Y875-C1030 VanDerWaalsContact OH-CA 3.23Å; Y875-C1030 WeakPolarHBondContact OH-CA 3.22Å; Y875-C1030 WeakPolarHBondContact OH-CB 3.35Å
876A97.4Very high97.4Very high0 Ų050.3 Ų50.30%023%0.227CC..Hα-helixtrans-71.7-42.3177.300000110.4L872 P873 K874 Q878 F879 I880 L1026L872-A876 HydrophobicContact CB-CB 4.15Å; P873-A876 HydrophobicContact CB-CB 4.49Å; P873-A876 WeakPolarHBondContact O-CA 3.28Å; P873-A876 WeakPolarHBondContact O-CB 3.47Å; P873-A876 PolarHBondContact O-N 3.23Å; K874-A876 VanDerWaalsContact C-N 3.29Å; K874-A876 PolarHBondContact O-N 3.25Å; A876-Q878 VanDerWaalsContact C-N 3.34Å; A876-Q878 PolarHBondContact O-N 2.63Å; A876-F879 PolarHBondContact O-N 2.87Å; A876-I880 VanDerWaalsContact O-CG1 3.31Å; A876-I880 WeakPolarHBondContact O-CG1 3.39Å; A876-I880 PolarHBondContact O-N 3.26Å; A876-L1026 HydrophobicContact CB-CD1 3.77Å; A876-L1026 HydrophobicContact CB-CD2 4.22Å; A876-L1026 HydrophobicContact CB-CG 3.99Å
877C97.7Very high97.4Very high7 Ų748.7 Ų48.75%0.04722%0.219CC..Hα-helixtrans-56.2-49.9171.2-570000111.1G860 G861 P873 K874 F879 I880 E881G860-C877 WeakPolarHBondContact CA-O 2.97Å; G861-C877 WeakPolarHBondContact CA-SG 3.49Å; P873-C877 PolarHBondContact O-N 3.48Å; P873-C877 PolarHBondContact O-SG 3.43Å; P873-C877 VanDerWaalsContact O-SG 3.4Å; K874-C877 WeakPolarHBondContact O-CB 3.4Å; K874-C877 PolarHBondContact O-N 2.78Å; C877-F879 PolarHBondContact O-N 2.89Å; C877-I880 PolarHBondContact O-N 3.08Å; C877-E881 PolarHBondContact O-N 3.04Å; C877-E881 VanDerWaalsContact O-N 3.11Å
878Q97.9Very high97.3Very high94 Ų9446 Ų4644%0.43921%0.214SC..Hα-helixtrans-63.3-40.6179.7-174.5174.92.900112K874 A876 I880 E881 M882 F983K874-Q878 WeakPolarHBondContact O-CB 3.43Å; K874-Q878 PolarHBondContact O-N 2.88Å; A876-Q878 VanDerWaalsContact C-N 3.34Å; A876-Q878 PolarHBondContact O-N 2.63Å; Q878-I880 PolarHBondContact O-N 2.9Å; Q878-E881 PolarHBondContact O-N 3.11Å; Q878-M882 HydrophobicContact CG-SD 4.45Å; Q878-M882 VanDerWaalsContact O-CG 3.31Å; Q878-M882 WeakPolarHBondContact O-CG 3.47Å; Q878-M882 PolarHBondContact O-N 3.29Å; Q878-F983 HydrophobicContact CB-CE2 4.5Å; Q878-F983 HydrophobicContact CB-CZ 4.01Å; Q878-F983 VanDerWaalsContact CD-CE2 3.5Å; Q878-F983 HydrophobicContact CG-CE2 3.92Å; Q878-F983 HydrophobicContact CG-CZ 3.92Å
879F98.3Very high97.3Very high0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-62.1-42.2176.3-178.9-104.8000112.4Y875 A876 C877 E881 M882 C883 L980 F983 V984 F988 T1022 F1023 L1026Y875-F879 VanDerWaalsContact O-CB 3.3Å; Y875-F879 WeakPolarHBondContact O-CB 3.46Å; Y875-F879 PolarHBondContact O-N 2.7Å; A876-F879 PolarHBondContact O-N 2.87Å; C877-F879 PolarHBondContact O-N 2.89Å; F879-E881 VanDerWaalsContact C-N 3.32Å; F879-E881 PolarHBondContact O-N 3.26Å; F879-M882 PolarHBondContact O-N 2.84Å; F879-C883 WeakPolarHBondContact CE1-SG 2.97Å; F879-C883 WeakPolarHBondContact CZ-SG 3.5Å; F879-C883 PolarHBondContact O-N 3.1Å; F879-C883 PolarHBondContact O-SG 2.64Å; F879-L980 HydrophobicContact CD2-CD2 4.47Å; F879-L980 HydrophobicContact CE2-CD2 4.03Å; F879-F983 HydrophobicContact CB-CD1 4.33Å; F879-F983 HydrophobicContact CB-CE1 3.81Å; F879-F983 AromaticContact CD2-CD1 3.93Å; F879-F983 HydrophobicContact CD2-CD1 3.93Å; F879-F983 HydrophobicContact CD2-CE1 4.28Å; F879-V984 HydrophobicContact CD2-CG2 3.86Å; F879-V984 HydrophobicContact CE2-CG2 3.42Å; F879-V984 VanDerWaalsContact CE2-CG2 3.42Å; F879-V984 HydrophobicContact CZ-CG2 4.12Å; F879-F988 HydrophobicContact CB-CE1 4.19Å; F879-F988 HydrophobicContact CB-CZ 4.37Å; F879-F988 HydrophobicContact CD1-CE1 4.49Å; F879-F988 AromaticContact CD1-CZ 3.87Å; F879-F988 HydrophobicContact CD1-CZ 3.87Å; F879-F988 HydrophobicContact CD2-CE1 4.19Å; F879-F988 HydrophobicContact CD2-CZ 4.15Å; F879-F988 HydrophobicContact CE1-CZ 4.17Å; F879-F988 HydrophobicContact CE2-CZ 4.46Å; F879-F988 HydrophobicContact CG-CE1 4.02Å; F879-F988 AromaticContact CG-CZ 3.84Å; F879-F988 HydrophobicContact CG-CZ 3.84Å; F879-F988 HydrophobicContact CZ-CZ 4.47Å; F879-T1022 VanDerWaalsContact CZ-OG1 3.26Å; F879-T1022 WeakPolarHBondContact CZ-OG1 3.44Å; F879-F1023 HydrophobicContact CE1-CD2 4.2Å; F879-L1026 HydrophobicContact CB-CD1 4.21Å; F879-L1026 HydrophobicContact CD1-CD1 3.47Å; F879-L1026 VanDerWaalsContact CD1-CD1 3.47Å; F879-L1026 HydrophobicContact CE1-CD1 4.27Å; F879-L1026 HydrophobicContact CG-CD1 4.22Å
880I98.1Very high97.1Very high1 Ų150.5 Ų50.51%0.00524%0.236CC..Hα-helixtrans-58.8-46174.9-69.8165.7000110.1L863 L872 A876 C877 Q878 M882 C883 L884 F1023 I1050L863-I880 HydrophobicContact CD1-CG2 3.9Å; L872-I880 HydrophobicContact CD1-CD1 3.52Å; A876-I880 VanDerWaalsContact O-CG1 3.31Å; A876-I880 WeakPolarHBondContact O-CG1 3.39Å; A876-I880 PolarHBondContact O-N 3.26Å; C877-I880 PolarHBondContact O-N 3.08Å; Q878-I880 PolarHBondContact O-N 2.9Å; I880-M882 PolarHBondContact O-N 3.08Å; I880-C883 WeakPolarHBondContact O-CB 3.36Å; I880-C883 PolarHBondContact O-N 2.68Å; I880-L884 WeakPolarHBondContact O-CG 3.43Å; I880-L884 PolarHBondContact O-N 3.08Å; I880-L884 VanDerWaalsContact O-N 3.08Å; I880-F1023 HydrophobicContact CG1-CE2 3.94Å; I880-F1023 HydrophobicContact CG1-CZ 4.29Å; I880-I1050 HydrophobicContact CG2-CD1 4.11Å
881E98.3Very high97Very high65 Ų6546.9 Ų46.930%0.30423%0.229SC..Hα-helixtrans-61.2-43.1176.4-69180-167.400112L859 G860 C877 Q878 F879 C883 L884 M885L859-E881 HydrophobicContact CB-CG 4.32Å; L859-E881 PolarHBondContact N-OE1 3.41Å; G860-E881 PolarHBondContact N-OE1 3.32Å; C877-E881 PolarHBondContact O-N 3.04Å; C877-E881 VanDerWaalsContact O-N 3.11Å; Q878-E881 PolarHBondContact O-N 3.11Å; F879-E881 VanDerWaalsContact C-N 3.32Å; F879-E881 PolarHBondContact O-N 3.26Å; E881-C883 VanDerWaalsContact C-N 3.31Å; E881-C883 PolarHBondContact O-N 3.24Å; E881-L884 WeakPolarHBondContact O-CB 3.24Å; E881-L884 PolarHBondContact O-N 3.08Å; E881-L884 VanDerWaalsContact O-N 3.15Å; E881-M885 WeakPolarHBondContact O-CG 3.12Å; E881-M885 PolarHBondContact O-N 3.39Å
882M98.3Very high96.9Very high32 Ų3243.5 Ų43.516%0.15823%0.226CC..Hα-helixtrans-60.5-40175.5-69.3176.673.900112.1Q878 F879 I880 L884 M885 V886 I979 L980 F983Q878-M882 HydrophobicContact CG-SD 4.45Å; Q878-M882 VanDerWaalsContact O-CG 3.31Å; Q878-M882 WeakPolarHBondContact O-CG 3.47Å; Q878-M882 PolarHBondContact O-N 3.29Å; F879-M882 PolarHBondContact O-N 2.84Å; I880-M882 PolarHBondContact O-N 3.08Å; M882-L884 VanDerWaalsContact C-N 3.35Å; M882-L884 PolarHBondContact O-N 3.04Å; M882-M885 PolarHBondContact O-N 2.98Å; M882-V886 PolarHBondContact O-N 3.3Å; M882-V886 VanDerWaalsContact O-N 3.07Å; M882-I979 HydrophobicContact CE-CG2 3.75Å; M882-L980 HydrophobicContact CB-CD2 3.79Å; M882-L980 HydrophobicContact CE-CD2 4.16Å; M882-F983 HydrophobicContact CE-CB 3.89Å; M882-F983 HydrophobicContact CE-CD2 4.16Å; M882-F983 HydrophobicContact CE-CG 4.05Å; M882-F983 HydrophobicContact SD-CB 4.13Å; M882-F983 HydrophobicContact SD-CD1 4.08Å; M882-F983 HydrophobicContact SD-CD2 3.51Å; M882-F983 VanDerWaalsContact SD-CD2 3.51Å; M882-F983 HydrophobicContact SD-CE1 4.43Å; M882-F983 HydrophobicContact SD-CE2 3.89Å; M882-F983 HydrophobicContact SD-CG 3.6Å; M882-F983 HydrophobicContact SD-CZ 4.34Å
883C97.8Very high96.8Very high0 Ų047.6 Ų47.60%026%0.261CS..Hα-helixtrans-61.3-42.4175-67.80000111.7F879 I880 E881 M885 V886 T887 I1019 I1050F879-C883 WeakPolarHBondContact CE1-SG 2.97Å; F879-C883 WeakPolarHBondContact CZ-SG 3.5Å; F879-C883 PolarHBondContact O-N 3.1Å; F879-C883 PolarHBondContact O-SG 2.64Å; I880-C883 WeakPolarHBondContact O-CB 3.36Å; I880-C883 PolarHBondContact O-N 2.68Å; E881-C883 VanDerWaalsContact C-N 3.31Å; E881-C883 PolarHBondContact O-N 3.24Å; C883-M885 VanDerWaalsContact C-N 3.33Å; C883-M885 PolarHBondContact O-N 3.47Å; C883-V886 WeakPolarHBondContact O-CG2 3.35Å; C883-T887 WeakPolarHBondContact O-CB 3.48Å; C883-T887 WeakPolarHBondContact O-CG2 3.4Å; C883-T887 PolarHBondContact O-N 2.78Å; C883-T887 PolarHBondContact O-OG1 2.99Å; C883-I1019 HydrophobicContact CB-CG2 4.46Å; C883-I1050 HydrophobicContact CB-CG2 3.98Å
884L97.9Very high96.6Very high5 Ų547.1 Ų47.13%0.02626%0.257CS..Hα-helixtrans-63.2-39.9175.8-64.6174.1000111.8L859 L863 I880 E881 M882 T887 A888 I1050 L1053 M1057L859-L884 HydrophobicContact CD2-CD1 4.03Å; L863-L884 HydrophobicContact CD1-CD1 3.7Å; I880-L884 WeakPolarHBondContact O-CG 3.43Å; I880-L884 PolarHBondContact O-N 3.08Å; I880-L884 VanDerWaalsContact O-N 3.08Å; E881-L884 WeakPolarHBondContact O-CB 3.24Å; E881-L884 PolarHBondContact O-N 3.08Å; E881-L884 VanDerWaalsContact O-N 3.15Å; M882-L884 VanDerWaalsContact C-N 3.35Å; M882-L884 PolarHBondContact O-N 3.04Å; L884-T887 PolarHBondContact O-N 3.33Å; L884-T887 PolarHBondContact O-OG1 3.27Å; L884-A888 PolarHBondContact O-N 2.86Å; L884-A888 VanDerWaalsContact O-N 3.09Å; L884-I1050 HydrophobicContact CD2-CG2 4.37Å; L884-L1053 HydrophobicContact CD1-CD2 4.18Å; L884-L1053 HydrophobicContact CD2-CB 3.99Å; L884-L1053 HydrophobicContact CD2-CD2 3.95Å; L884-L1053 HydrophobicContact CD2-CG 3.92Å; L884-M1057 HydrophobicContact CB-CE 4.11Å; L884-M1057 VanDerWaalsContact O-CE 3.31Å; L884-M1057 WeakPolarHBondContact O-CE 3.35Å
885M97.7Very high96.5Very high139 Ų13942.7 Ų42.769%0.68525%0.246SC*.Hα-helixtrans-65.2-45.9179.5-67.9175.88000112.4E881 M882 C883 T887 A888E881-M885 WeakPolarHBondContact O-CG 3.12Å; E881-M885 PolarHBondContact O-N 3.39Å; M882-M885 PolarHBondContact O-N 2.98Å; C883-M885 VanDerWaalsContact C-N 3.33Å; C883-M885 PolarHBondContact O-N 3.47Å; M885-T887 VanDerWaalsContact C-N 3.29Å; M885-T887 PolarHBondContact O-N 3.01Å; M885-A888 VanDerWaalsContact O-CB 3.24Å; M885-A888 WeakPolarHBondContact O-CB 3.3Å; M885-A888 PolarHBondContact O-N 3.37Å
886V96.8Very high96.4Very high27 Ų2740.6 Ų40.616%0.16424%0.238CC..Hα-helixtrans-75.6-18.8-177.9-59.10000113.5M882 C883 R976 L980 V1015 I1019M882-V886 PolarHBondContact O-N 3.3Å; M882-V886 VanDerWaalsContact O-N 3.07Å; C883-V886 WeakPolarHBondContact O-CG2 3.35Å; V886-R976 HydrophobicContact CB-CB 4.48Å; V886-R976 HydrophobicContact CB-CG 4.42Å; V886-R976 HydrophobicContact CG1-CB 4.41Å; V886-R976 HydrophobicContact CG1-CG 4.43Å; V886-L980 HydrophobicContact CG2-CD1 3.96Å; V886-V1015 HydrophobicContact CG2-CG2 4.28Å; V886-I1019 HydrophobicContact CG2-CD1 3.81Å
887T96.5Very high96.4Very high6 Ų640.6 Ų40.64%0.03724%0.238CC..Hα-helixtrans-94.4-4175.556.90000113.2C883 L884 M885 D889 I1019 F1051 R1055C883-T887 WeakPolarHBondContact O-CB 3.48Å; C883-T887 WeakPolarHBondContact O-CG2 3.4Å; C883-T887 PolarHBondContact O-N 2.78Å; C883-T887 PolarHBondContact O-OG1 2.99Å; L884-T887 PolarHBondContact O-N 3.33Å; L884-T887 PolarHBondContact O-OG1 3.27Å; M885-T887 VanDerWaalsContact C-N 3.29Å; M885-T887 PolarHBondContact O-N 3.01Å; T887-D889 PolarHBondContact O-N 2.78Å; T887-I1019 HydrophobicContact CG2-CD1 3.86Å; T887-F1051 HydrophobicContact CG2-CD2 4.23Å; T887-R1055 VanDerWaalsContact O-CZ 3.29Å; T887-R1055 PolarHBondContact O-NE 3.19Å; T887-R1055 PolarHBondContact O-NH2 2.98Å
888A96.1Very high96.4Very high23 Ų2344 Ų4419%0.1925%0.253CS..SBendtrans-53.2-48.1-171.300000113.6L884 M885 G1054 R1055 M1057 G1058L884-A888 PolarHBondContact O-N 2.86Å; L884-A888 VanDerWaalsContact O-N 3.09Å; M885-A888 VanDerWaalsContact O-CB 3.24Å; M885-A888 WeakPolarHBondContact O-CB 3.3Å; M885-A888 PolarHBondContact O-N 3.37Å; A888-G1054 WeakPolarHBondContact CA-O 3.42Å; A888-R1055 WeakPolarHBondContact O-CA 3.49Å; A888-M1057 HydrophobicContact CB-CB 4.45Å; A888-M1057 HydrophobicContact CB-CE 3.87Å; A888-G1058 VanDerWaalsContact O-CA 3.22Å; A888-G1058 WeakPolarHBondContact O-CA 3.49Å; A888-G1058 PolarHBondContact O-N 2.96Å
889D96.4Very high96.4Very high60 Ų6042.4 Ų42.432%0.32125%0.248SC..  trans-153.1163175.1-168.840.4000112.3T887 G891 H1062T887-D889 PolarHBondContact O-N 2.78Å; D889-G891 PolarHBondContact OD2-N 3.41Å; D889-H1062 IonicContact OD1-CD2 3.69Å; D889-H1062 IonicContact OD1-NE2 3.82Å; D889-H1062 IonicContact OD2-NE2 2.82Å
890H94.9Very high96.4Very high108 Ų10842.4 Ų42.450%0.525%0.248SC..  trans-148.134.7174-158.9-92000111.7R976H890-R976 PolarHBondContact CD2-NH1 2.93Å; H890-R976 PolarHBondContact NE2-NH1 3.24Å
891G93.3Very high96.4Very high21 Ų2143.3 Ų43.322%0.21625%0.252CS..  trans81.8167.2176.200000114.9D889 A893 A897D889-G891 PolarHBondContact OD2-N 3.41Å; G891-A893 VanDerWaalsContact C-N 3.27Å; G891-A893 PolarHBondContact O-N 2.85Å; G891-A897 WeakPolarHBondContact O-CB 3.32Å
892P94.9Very high96.4Very high72 Ų7242.2 Ų42.247%0.46825%0.25SS..THydrogen-bonded Turntrans-76.8-8.4-16731.3-37.6000114.8H898 I901P892-H898 PolarHBondContact O-N 3.49Å; P892-I901 HydrophobicContact CB-CD1 3.43Å; P892-I901 VanDerWaalsContact CB-CD1 3.43Å
893A93.8Very high96.4Very high96 Ų9641.6 Ų41.679%0.79325%0.248SC*.THydrogen-bonded Turntrans-82.7-16.4-173.800000113.5G891G891-A893 VanDerWaalsContact C-N 3.27Å; G891-A893 PolarHBondContact O-N 2.85Å
894V94Very high96.5Very high31 Ų3141.8 Ų41.819%0.18825%0.25CC..SBendtrans-74147.6177.8-570000110.4G896 A897 H898 F925V894-G896 VanDerWaalsContact C-N 3.29Å; V894-G896 PolarHBondContact O-N 3.16Å; V894-G896 VanDerWaalsContact O-N 3.11Å; V894-A897 HydrophobicContact CG2-CB 3.68Å; V894-A897 PolarHBondContact O-N 2.96Å; V894-H898 PolarHBondContact O-N 3.46Å; V894-F925 HydrophobicContact CB-CD2 4.36Å; V894-F925 HydrophobicContact CB-CE2 3.53Å; V894-F925 HydrophobicContact CB-CZ 3.93Å; V894-F925 HydrophobicContact CG1-CE2 4.19Å; V894-F925 HydrophobicContact CG2-CE2 3.77Å; V894-F925 HydrophobicContact CG2-CZ 3.65Å
895S93.6Very high96.5Very high66 Ų6644.3 Ų44.346%0.46226%0.259SS..Hα-helixtrans-48-46.9-170.9-56.40000113.6N899S895-N899 WeakPolarHBondContact O-CB 3.48Å; S895-N899 PolarHBondContact O-N 3.17Å; S895-N899 PolarHBondContact O-OD1 3.33Å
896G95.4Very high96.5Very high0 Ų040 Ų400%025%0.246CC..Hα-helixtrans-72.1-35.9-178.600000114.6V894 T900 G917 T920 F1059V894-G896 VanDerWaalsContact C-N 3.29Å; V894-G896 PolarHBondContact O-N 3.16Å; V894-G896 VanDerWaalsContact O-N 3.11Å; G896-T900 WeakPolarHBondContact O-CB 3.43Å; G896-T900 PolarHBondContact O-N 3Å; G896-T900 PolarHBondContact O-OG1 3.23Å; G896-G917 WeakPolarHBondContact CA-O 3.32Å; G896-G917 WeakPolarHBondContact O-CA 3.32Å; G896-T920 WeakPolarHBondContact CA-OG1 3.22Å; G896-T920 PolarHBondContact N-OG1 2.83Å; G896-T920 VanDerWaalsContact N-OG1 3.08Å; G896-F1059 VanDerWaalsContact C-CE1 3.5Å; G896-F1059 VanDerWaalsContact CA-CZ 3.4Å
897A97.3Very high96.5Very high0 Ų041.5 Ų41.50%027%0.267CS..Hα-helixtrans-68.1-43176.400000110.2G891 V894 T900 I901 F1059G891-A897 WeakPolarHBondContact O-CB 3.32Å; V894-A897 HydrophobicContact CG2-CB 3.68Å; V894-A897 PolarHBondContact O-N 2.96Å; A897-T900 WeakPolarHBondContact O-CB 3.49Å; A897-T900 PolarHBondContact O-N 3.48Å; A897-I901 WeakPolarHBondContact O-CB 3.27Å; A897-I901 WeakPolarHBondContact O-CD1 3.25Å; A897-I901 VanDerWaalsContact O-CG1 3.27Å; A897-I901 WeakPolarHBondContact O-CG1 3.44Å; A897-I901 PolarHBondContact O-N 3.43Å; A897-F1059 HydrophobicContact CB-CD1 4.13Å; A897-F1059 HydrophobicContact CB-CE1 3.8Å
898H97.6Very high96.5Very high77 Ų7746 Ų4636%0.35629%0.285SS..Hα-helixtrans-58.8-50.2175.7-17480.8000111.7P892 V894 T900 I901 V902P892-H898 PolarHBondContact O-N 3.49Å; V894-H898 PolarHBondContact O-N 3.46Å; H898-T900 VanDerWaalsContact C-N 3.31Å; H898-T900 PolarHBondContact O-N 2.87Å; H898-I901 PolarHBondContact O-N 2.92Å; H898-I901 VanDerWaalsContact O-N 3.17Å; H898-V902 WeakPolarHBondContact O-CG2 3.35Å; H898-V902 PolarHBondContact O-N 2.89Å
899N98Very high96.6Very high62 Ų6248.4 Ų48.433%0.33230%0.295SS..Hα-helixtrans-60.6-40.4177.6-83.424.8000112.4S895 I901 V902 C903 S916 T920S895-N899 WeakPolarHBondContact O-CB 3.48Å; S895-N899 PolarHBondContact O-N 3.17Å; S895-N899 PolarHBondContact O-OD1 3.33Å; N899-I901 VanDerWaalsContact C-N 3.34Å; N899-I901 PolarHBondContact O-N 3.35Å; N899-V902 PolarHBondContact O-N 2.94Å; N899-C903 VanDerWaalsContact O-CB 3.28Å; N899-C903 WeakPolarHBondContact O-CB 3.38Å; N899-C903 PolarHBondContact O-N 2.93Å; N899-S916 WeakPolarHBondContact CB-O 3.37Å; N899-S916 PolarHBondContact ND2-O 3.1Å; N899-T920 HydrophobicContact CB-CG2 4.15Å; N899-T920 WeakPolarHBondContact ND2-CG2 3.34Å
900T98.4Very high96.7Very high0 Ų048.1 Ų48.10%029%0.293CS..Hα-helixtrans-60.2-45.4175.6-57.70000111.3G896 A897 H898 C903 A904 S913 G917 F1059G896-T900 WeakPolarHBondContact O-CB 3.43Å; G896-T900 PolarHBondContact O-N 3Å; G896-T900 PolarHBondContact O-OG1 3.23Å; A897-T900 WeakPolarHBondContact O-CB 3.49Å; A897-T900 PolarHBondContact O-N 3.48Å; H898-T900 VanDerWaalsContact C-N 3.31Å; H898-T900 PolarHBondContact O-N 2.87Å; T900-C903 PolarHBondContact O-N 3.17Å; T900-A904 VanDerWaalsContact O-CB 3.3Å; T900-A904 WeakPolarHBondContact O-CB 3.27Å; T900-A904 PolarHBondContact O-N 3.45Å; T900-S913 WeakPolarHBondContact CA-O 3.39Å; T900-S913 PolarHBondContact OG1-O 3Å; T900-G917 WeakPolarHBondContact OG1-CA 3.44Å; T900-F1059 HydrophobicContact CG2-CB 4.18Å; T900-F1059 WeakPolarHBondContact CG2-O 3.49Å
901I98.4Very high96.8Very high19 Ų1948.1 Ų48.110%0.09730%0.296CS..Hα-helixtrans-63.9-47.9178.9-72.6164.8000111P892 A897 H898 N899 C903 A904 R905 H1062 Q1066P892-I901 HydrophobicContact CB-CD1 3.43Å; P892-I901 VanDerWaalsContact CB-CD1 3.43Å; A897-I901 WeakPolarHBondContact O-CB 3.27Å; A897-I901 WeakPolarHBondContact O-CD1 3.25Å; A897-I901 VanDerWaalsContact O-CG1 3.27Å; A897-I901 WeakPolarHBondContact O-CG1 3.44Å; A897-I901 PolarHBondContact O-N 3.43Å; H898-I901 PolarHBondContact O-N 2.92Å; H898-I901 VanDerWaalsContact O-N 3.17Å; N899-I901 VanDerWaalsContact C-N 3.34Å; N899-I901 PolarHBondContact O-N 3.35Å; I901-C903 VanDerWaalsContact C-N 3.33Å; I901-C903 PolarHBondContact O-N 3.12Å; I901-A904 PolarHBondContact O-N 2.87Å; I901-R905 HydrophobicContact CG2-CG 4.43Å; I901-R905 WeakPolarHBondContact O-CB 3.26Å; I901-R905 VanDerWaalsContact O-CG 3.26Å; I901-R905 WeakPolarHBondContact O-CG 3.29Å; I901-R905 PolarHBondContact O-N 2.88Å; I901-H1062 HydrophobicContact CD1-CB 4.27Å; I901-H1062 HydrophobicContact CG1-CB 3.91Å; I901-Q1066 HydrophobicContact CB-CG 4.16Å; I901-Q1066 HydrophobicContact CG1-CG 3.89Å; I901-Q1066 HydrophobicContact CG2-CG 3.86Å
902V98.2Very high97.1Very high43 Ų4348.8 Ų48.826%0.26130%0.298SS..Hα-helixtrans-60.1-44.5178.6172.60000110.7H898 N899 R905 A906 Y1074H898-V902 WeakPolarHBondContact O-CG2 3.35Å; H898-V902 PolarHBondContact O-N 2.89Å; N899-V902 PolarHBondContact O-N 2.94Å; V902-R905 PolarHBondContact O-N 3.13Å; V902-A906 WeakPolarHBondContact O-CB 3.48Å; V902-A906 PolarHBondContact O-N 3.07Å; V902-Y1074 HydrophobicContact CG1-CD1 4.16Å; V902-Y1074 HydrophobicContact CG2-CD1 3.67Å; V902-Y1074 HydrophobicContact CG2-CE1 4.18Å; V902-Y1074 HydrophobicContact CG2-CG 4.3Å
903C98.3Very high97.2Very high18 Ų1845.4 Ų45.412%0.12228%0.275CS..Hα-helixtrans-65.6-41.5178.1-165.80000112.2N899 T900 I901 R905 A906 K908N899-C903 VanDerWaalsContact O-CB 3.28Å; N899-C903 WeakPolarHBondContact O-CB 3.38Å; N899-C903 PolarHBondContact O-N 2.93Å; T900-C903 PolarHBondContact O-N 3.17Å; I901-C903 VanDerWaalsContact C-N 3.33Å; I901-C903 PolarHBondContact O-N 3.12Å; C903-R905 PolarHBondContact O-N 2.88Å; C903-A906 WeakPolarHBondContact O-CB 3.07Å; C903-A906 PolarHBondContact O-N 3.1Å; C903-A906 VanDerWaalsContact O-N 3.17Å; C903-K908 WeakPolarHBondContact O-CB 3.32Å; C903-K908 PolarHBondContact O-N 2.81Å
904A98.1Very high97.4Very high4 Ų441.8 Ų41.83%0.03324%0.243CC..Hα-helixtrans-62.4-43.6176.200000112.1T900 I901 A906 G907 S913 Y1063 Q1066 K1067T900-A904 VanDerWaalsContact O-CB 3.3Å; T900-A904 WeakPolarHBondContact O-CB 3.27Å; T900-A904 PolarHBondContact O-N 3.45Å; I901-A904 PolarHBondContact O-N 2.87Å; A904-A906 VanDerWaalsContact C-N 3.28Å; A904-A906 PolarHBondContact O-N 3.08Å; A904-G907 PolarHBondContact O-N 3.17Å; A904-G907 VanDerWaalsContact O-N 3.11Å; A904-S913 WeakPolarHBondContact CA-OG 3.49Å; A904-S913 PolarHBondContact N-OG 3.29Å; A904-Y1063 HydrophobicContact CB-CD2 3.69Å; A904-Y1063 HydrophobicContact CB-CE2 4.39Å; A904-Q1066 HydrophobicContact CB-CB 4.09Å; A904-K1067 PolarHBondContact O-NZ 3.21Å; A904-K1067 VanDerWaalsContact O-NZ 3.16Å
905R98.1Very high97.6Very high59 Ų5943.2 Ų43.222%0.22325%0.251CS..Hα-helixtrans-66.3-26.9174.9-74.4-177.163.9175.40.9112.9I901 V902 C903 G907 Q1066 Q1071 G1072 L1073I901-R905 HydrophobicContact CG2-CG 4.43Å; I901-R905 WeakPolarHBondContact O-CB 3.26Å; I901-R905 VanDerWaalsContact O-CG 3.26Å; I901-R905 WeakPolarHBondContact O-CG 3.29Å; I901-R905 PolarHBondContact O-N 2.88Å; V902-R905 PolarHBondContact O-N 3.13Å; C903-R905 PolarHBondContact O-N 2.88Å; R905-G907 PolarHBondContact O-N 2.84Å; R905-Q1066 HydrophobicContact CG-CB 4.49Å; R905-Q1071 HydrophobicContact CG-CB 3.75Å; R905-G1072 PolarHBondContact NE-O 3.41Å; R905-G1072 PolarHBondContact NH2-O 3.11Å; R905-L1073 WeakPolarHBondContact O-CA 3.36Å; R905-L1073 PolarHBondContact O-N 2.91Å
906A98.1Very high97.8Very high49 Ų4941.9 Ų41.941%0.40524%0.242SC..THydrogen-bonded Turntrans-75.29.117100000113.7V902 C903 A904 K908 L1073V902-A906 WeakPolarHBondContact O-CB 3.48Å; V902-A906 PolarHBondContact O-N 3.07Å; C903-A906 WeakPolarHBondContact O-CB 3.07Å; C903-A906 PolarHBondContact O-N 3.1Å; C903-A906 VanDerWaalsContact O-N 3.17Å; A904-A906 VanDerWaalsContact C-N 3.28Å; A904-A906 PolarHBondContact O-N 3.08Å; A906-K908 VanDerWaalsContact C-N 3.33Å; A906-K908 PolarHBondContact O-N 2.94Å; A906-L1073 HydrophobicContact CB-CD1 3.89Å
907G96.4Very high97.9Very high58 Ų5841.9 Ų41.960%0.59824%0.242SC*.THydrogen-bonded Turntrans81.77.7175.600000114.3A904 R905A904-G907 PolarHBondContact O-N 3.17Å; A904-G907 VanDerWaalsContact O-N 3.11Å; R905-G907 PolarHBondContact O-N 2.84Å
908K98.3Very high97.9Very high99 Ų9943.8 Ų43.843%0.4325%0.252SS..  trans-73.3163.6179.1-58.4-56.1-57.8-72.50112.3C903 A906 S912 K1067C903-K908 WeakPolarHBondContact O-CB 3.32Å; C903-K908 PolarHBondContact O-N 2.81Å; A906-K908 VanDerWaalsContact C-N 3.33Å; A906-K908 PolarHBondContact O-N 2.94Å; K908-S912 PolarHBondContact NZ-OG 3.17Å; K908-K1067 VanDerWaalsContact O-CE 3.3Å; K908-K1067 WeakPolarHBondContact O-CE 3.32Å; K908-K1067 PolarHBondContact O-NZ 2.95Å
909D97.5Very high97.9Very high74 Ų7446.9 Ų46.940%0.39627%0.271SS..  trans-77.7172.8177.265.893000112.2I911 S912 S913 Y1063D909-I911 PolarHBondContact O-N 3.13Å; D909-I911 WeakPolarHBondContact OD1-CB 3.37Å; D909-I911 PolarHBondContact OD1-N 3.31Å; D909-S912 PolarHBondContact OD1-N 3.09Å; D909-S912 WeakPolarHBondContact OD2-CB 3.49Å; D909-S912 PolarHBondContact OD2-OG 3.16Å; D909-S913 WeakPolarHBondContact O-CB 3.45Å; D909-S913 PolarHBondContact O-N 2.93Å; D909-S913 PolarHBondContact O-OG 3.33Å; D909-Y1063 VanDerWaalsContact C-CE2 3.45Å
910L98.2Very high97.8Very high54 Ų5445.6 Ų45.628%0.28327%0.265SS..Hα-helixtrans-57.9-46.1-176.7-174.5152.9000112S913 L914 I1060 Y1063L910-S913 PolarHBondContact O-N 2.92Å; L910-L914 VanDerWaalsContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CB 3.38Å; L910-L914 PolarHBondContact O-N 3.21Å; L910-I1060 HydrophobicContact CD1-CG2 4.22Å; L910-I1060 HydrophobicContact CD2-CG1 4.34Å; L910-Y1063 VanDerWaalsContact CA-CZ 3.49Å; L910-Y1063 HydrophobicContact CB-CD1 3.85Å; L910-Y1063 HydrophobicContact CB-CE1 3.49Å; L910-Y1063 VanDerWaalsContact CB-CE1 3.49Å; L910-Y1063 HydrophobicContact CB-CE2 4.33Å; L910-Y1063 HydrophobicContact CB-CG 4.44Å; L910-Y1063 HydrophobicContact CD1-CD1 3.9Å; L910-Y1063 HydrophobicContact CD1-CE1 3.9Å; L910-Y1063 HydrophobicContact CG-CD1 3.76Å; L910-Y1063 HydrophobicContact CG-CE1 3.87Å; L910-Y1063 HydrophobicContact CG-CG 4.4Å; L910-Y1063 VanDerWaalsContact N-CZ 3.33Å; L910-Y1063 PolarHBondContact N-OH 2.97Å
911I97.9Very high97.6Very high108 Ų10847 Ų4755%0.55427%0.272SS*.Hα-helixtrans-69.6-49.8-175.1-58-61.6000109.5D909 S913 L914 T915D909-I911 PolarHBondContact O-N 3.13Å; D909-I911 WeakPolarHBondContact OD1-CB 3.37Å; D909-I911 PolarHBondContact OD1-N 3.31Å; I911-S913 PolarHBondContact O-N 2.88Å; I911-L914 PolarHBondContact O-N 3.47Å; I911-T915 WeakPolarHBondContact O-CB 3.24Å; I911-T915 PolarHBondContact O-N 3.22Å; I911-T915 PolarHBondContact O-OG1 3.38Å
912S97.9Very high97.1Very high36 Ų3647.5 Ų47.525%0.25228%0.282SS..Hα-helixtrans-54-42.2175.2-70.70000112.5K908 D909 S916K908-S912 PolarHBondContact NZ-OG 3.17Å; D909-S912 PolarHBondContact OD1-N 3.09Å; D909-S912 WeakPolarHBondContact OD2-CB 3.49Å; D909-S912 PolarHBondContact OD2-OG 3.16Å; S912-S916 WeakPolarHBondContact O-CB 3.45Å; S912-S916 PolarHBondContact O-N 3.47Å
913S98.1Very high96.2Very high0 Ų053.1 Ų53.10%031%0.311CS..Hα-helixtrans-71.7-47.8-177.1-53.50000111.5T900 A904 D909 L910 I911 S916 G917 Y1063T900-S913 WeakPolarHBondContact CA-O 3.39Å; T900-S913 PolarHBondContact OG1-O 3Å; A904-S913 WeakPolarHBondContact CA-OG 3.49Å; A904-S913 PolarHBondContact N-OG 3.29Å; D909-S913 WeakPolarHBondContact O-CB 3.45Å; D909-S913 PolarHBondContact O-N 2.93Å; D909-S913 PolarHBondContact O-OG 3.33Å; L910-S913 PolarHBondContact O-N 2.92Å; I911-S913 PolarHBondContact O-N 2.88Å; S913-S916 WeakPolarHBondContact O-CB 3.23Å; S913-S916 PolarHBondContact O-N 2.86Å; S913-G917 PolarHBondContact O-N 3.44Å; S913-Y1063 WeakPolarHBondContact OG-CD2 3.37Å
914L98.2Very high95.5Very high20 Ų2064.4 Ų64.411%0.10535%0.351CS..Hα-helixtrans-57-52.2175.3173.161.1000110.9L910 I911 S916 G917 L918 F1059 I1060L910-L914 VanDerWaalsContact O-CB 3.23Å; L910-L914 WeakPolarHBondContact O-CB 3.38Å; L910-L914 PolarHBondContact O-N 3.21Å; I911-L914 PolarHBondContact O-N 3.47Å; L914-S916 VanDerWaalsContact C-N 3.3Å; L914-S916 PolarHBondContact O-N 3.37Å; L914-G917 WeakPolarHBondContact O-CA 3.49Å; L914-G917 PolarHBondContact O-N 3.25Å; L914-L918 HydrophobicContact CD1-CD1 3.84Å; L914-L918 HydrophobicContact CD1-CD2 4.24Å; L914-L918 HydrophobicContact CD1-CG 3.83Å; L914-L918 HydrophobicContact CD2-CD1 4.31Å; L914-L918 HydrophobicContact CG-CD1 3.75Å; L914-L918 HydrophobicContact CG-CG 4.13Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 3.28Å; L914-F1059 HydrophobicContact CD1-CB 3.53Å; L914-F1059 HydrophobicContact CD1-CD2 4.21Å; L914-F1059 HydrophobicContact CD1-CG 4.41Å; L914-I1060 HydrophobicContact CD1-CG1 4.17Å; L914-I1060 HydrophobicContact CD2-CD1 4.09Å; L914-I1060 HydrophobicContact CD2-CG1 3.94Å
915T97.9Very high95.1Very high61 Ų6165.8 Ų65.837%0.37436%0.356SS..Hα-helixtrans-61.3-38.8-179.2-56.50000111.8I911 G917 L918 L919I911-T915 WeakPolarHBondContact O-CB 3.24Å; I911-T915 PolarHBondContact O-N 3.22Å; I911-T915 PolarHBondContact O-OG1 3.38Å; T915-G917 PolarHBondContact O-N 2.91Å; T915-L918 PolarHBondContact O-N 3.46Å; T915-L919 HydrophobicContact CG2-CD1 3.97Å; T915-L919 HydrophobicContact CG2-CG 4.13Å; T915-L919 WeakPolarHBondContact O-CB 3.37Å; T915-L919 VanDerWaalsContact O-CG 3.31Å; T915-L919 WeakPolarHBondContact O-CG 3.29Å; T915-L919 PolarHBondContact O-N 2.83Å
916S98Very high94.6Very high39 Ų3963.4 Ų63.427%0.27335%0.351SS..Hα-helixtrans-59-33.9175.1-172.70000112.7N899 S912 S913 L914N899-S916 WeakPolarHBondContact CB-O 3.37Å; N899-S916 PolarHBondContact ND2-O 3.1Å; S912-S916 WeakPolarHBondContact O-CB 3.45Å; S912-S916 PolarHBondContact O-N 3.47Å; S913-S916 WeakPolarHBondContact O-CB 3.23Å; S913-S916 PolarHBondContact O-N 2.86Å; L914-S916 VanDerWaalsContact C-N 3.3Å; L914-S916 PolarHBondContact O-N 3.37Å
917G97.4Very high94.2Very high0 Ų061.6 Ų61.60%034%0.336CS..Hα-helixtrans-76.9-46.2172.400000113.2G896 T900 S913 L914 T915 L919 T920G896-G917 WeakPolarHBondContact CA-O 3.32Å; G896-G917 WeakPolarHBondContact O-CA 3.32Å; T900-G917 WeakPolarHBondContact OG1-CA 3.44Å; S913-G917 PolarHBondContact O-N 3.44Å; L914-G917 WeakPolarHBondContact O-CA 3.49Å; L914-G917 PolarHBondContact O-N 3.25Å; T915-G917 PolarHBondContact O-N 2.91Å; G917-L919 VanDerWaalsContact C-N 3.28Å; G917-L919 PolarHBondContact O-N 2.84Å; G917-T920 WeakPolarHBondContact O-CB 3.47Å; G917-T920 WeakPolarHBondContact O-CG2 3.38Å; G917-T920 PolarHBondContact O-N 2.99Å; G917-T920 PolarHBondContact O-OG1 2.93Å
918L97.3Very high93.9Very high39 Ų3960 Ų6020%0.20432%0.318CS..Hα-helixtrans-61.5-33.9-178.4-68.3179.7000112.8L914 T915 T920 I921 V1052 S1056 F1059L914-L918 HydrophobicContact CD1-CD1 3.84Å; L914-L918 HydrophobicContact CD1-CD2 4.24Å; L914-L918 HydrophobicContact CD1-CG 3.83Å; L914-L918 HydrophobicContact CD2-CD1 4.31Å; L914-L918 HydrophobicContact CG-CD1 3.75Å; L914-L918 HydrophobicContact CG-CG 4.13Å; L914-L918 WeakPolarHBondContact O-CG 3.48Å; L914-L918 PolarHBondContact O-N 3.28Å; T915-L918 PolarHBondContact O-N 3.46Å; L918-T920 PolarHBondContact O-N 2.85Å; L918-T920 VanDerWaalsContact O-N 3.08Å; L918-I921 HydrophobicContact CD2-CD1 3.64Å; L918-I921 VanDerWaalsContact O-CB 3.28Å; L918-I921 WeakPolarHBondContact O-CB 3.29Å; L918-I921 PolarHBondContact O-N 3.49Å; L918-V1052 HydrophobicContact CD2-CG1 4.32Å; L918-S1056 WeakPolarHBondContact CD2-OG 3.36Å; L918-F1059 HydrophobicContact CD2-CD2 3.78Å; L918-F1059 HydrophobicContact CD2-CE2 3.95Å; L918-F1059 HydrophobicContact CG-CD2 4.21Å
919L97.2Very high93.6Very high142 Ų14255.3 Ų55.374%0.74330%0.297SS*.THydrogen-bonded Turntrans-65-9.3175.8-74.3170.6000113.8T915 G917T915-L919 HydrophobicContact CG2-CD1 3.97Å; T915-L919 HydrophobicContact CG2-CG 4.13Å; T915-L919 WeakPolarHBondContact O-CB 3.37Å; T915-L919 VanDerWaalsContact O-CG 3.31Å; T915-L919 WeakPolarHBondContact O-CG 3.29Å; T915-L919 PolarHBondContact O-N 2.83Å; G917-L919 VanDerWaalsContact C-N 3.28Å; G917-L919 PolarHBondContact O-N 2.84Å
920T96.1Very high93.4Very high35 Ų3552.5 Ų52.522%0.21528%0.282CS..THydrogen-bonded Turntrans-84.5-14.4170.472.30000112.9G896 N899 G917 L918 F925G896-T920 WeakPolarHBondContact CA-OG1 3.22Å; G896-T920 PolarHBondContact N-OG1 2.83Å; G896-T920 VanDerWaalsContact N-OG1 3.08Å; N899-T920 HydrophobicContact CB-CG2 4.15Å; N899-T920 WeakPolarHBondContact ND2-CG2 3.34Å; G917-T920 WeakPolarHBondContact O-CB 3.47Å; G917-T920 WeakPolarHBondContact O-CG2 3.38Å; G917-T920 PolarHBondContact O-N 2.99Å; G917-T920 PolarHBondContact O-OG1 2.93Å; L918-T920 PolarHBondContact O-N 2.85Å; L918-T920 VanDerWaalsContact O-N 3.08Å; T920-F925 WeakPolarHBondContact OG1-CD1 3.24Å
921I93.7Very high93.2Very high29 Ų2951.6 Ų51.615%0.14928%0.282CS..  trans-76.1128.1179.7-59.1175.7000109.2L918 F925 F1051 V1052 R1055 F1059L918-I921 HydrophobicContact CD2-CD1 3.64Å; L918-I921 VanDerWaalsContact O-CB 3.28Å; L918-I921 WeakPolarHBondContact O-CB 3.29Å; L918-I921 PolarHBondContact O-N 3.49Å; I921-F925 CarbonylContact C-O 3.38Å; I921-F925 VanDerWaalsContact CA-O 3.24Å; I921-F925 WeakPolarHBondContact CA-O 3.07Å; I921-F925 HydrophobicContact CG1-CD1 3.9Å; I921-F925 HydrophobicContact CG1-CE1 3.71Å; I921-F1051 HydrophobicContact CD1-CD1 4.09Å; I921-F1051 HydrophobicContact CD1-CE1 4Å; I921-F1051 HydrophobicContact CG1-CD1 4.47Å; I921-F1051 HydrophobicContact CG1-CE1 4.15Å; I921-F1051 HydrophobicContact CG2-CD1 3.81Å; I921-F1051 HydrophobicContact CG2-CE1 4.14Å; I921-V1052 HydrophobicContact CB-CG2 4.41Å; I921-V1052 HydrophobicContact CD1-CG2 4.16Å; I921-V1052 HydrophobicContact CG2-CG2 3.79Å; I921-R1055 HydrophobicContact CD1-CB 4.27Å; I921-R1055 HydrophobicContact CD1-CG 4.23Å; I921-F1059 HydrophobicContact CD1-CE2 4.16Å
922G88.6Confident93.1Very high30 Ų3046.4 Ų46.431%0.30926%0.256SS..BIsolated β-bridgetrans166.3-142.9-175.500000110.1R924 F925 G927G922-R924 PolarHBondContact O-N 2.97Å; G922-F925 PolarHBondContact N-O 3.13Å; G922-F925 CarbonylContact O-C 3.51Å; G922-F925 PolarHBondContact O-N 3.2Å; G922-G927 VanDerWaalsContact O-CA 3.22Å; G922-G927 WeakPolarHBondContact O-CA 3.45Å; G922-G927 PolarHBondContact O-N 3.26Å
923D79.7Confident93Very high162 Ų16244.7 Ų44.787%0.86624%0.244SC*.THydrogen-bonded Turntrans-57.4-45.4-168.2-58.2-13.2000115
924R83.8Confident92.9Very high255 Ų25548.5 Ų48.596%0.96226%0.26SS*.THydrogen-bonded Turntrans-91.6-25.6-174.7-65.8-173.1-177.5-177.51.7114G922G922-R924 PolarHBondContact O-N 2.97Å
925F89.6Confident92.8Very high32 Ų3249.2 Ų49.214%0.1426%0.263CS..THydrogen-bonded Turntrans-130.5114.9-179.1173.8-113.1000108.9V894 T920 I921 G922 G927 F1051 F1059V894-F925 HydrophobicContact CB-CD2 4.36Å; V894-F925 HydrophobicContact CB-CE2 3.53Å; V894-F925 HydrophobicContact CB-CZ 3.93Å; V894-F925 HydrophobicContact CG1-CE2 4.19Å; V894-F925 HydrophobicContact CG2-CE2 3.77Å; V894-F925 HydrophobicContact CG2-CZ 3.65Å; T920-F925 WeakPolarHBondContact OG1-CD1 3.24Å; I921-F925 CarbonylContact C-O 3.38Å; I921-F925 VanDerWaalsContact CA-O 3.24Å; I921-F925 WeakPolarHBondContact CA-O 3.07Å; I921-F925 HydrophobicContact CG1-CD1 3.9Å; I921-F925 HydrophobicContact CG1-CE1 3.71Å; G922-F925 PolarHBondContact N-O 3.13Å; G922-F925 CarbonylContact O-C 3.51Å; G922-F925 PolarHBondContact O-N 3.2Å; F925-G927 VanDerWaalsContact C-N 3.35Å; F925-G927 PolarHBondContact O-N 3.05Å; F925-F1051 HydrophobicContact CE2-CZ 4.44Å; F925-F1051 HydrophobicContact CZ-CE1 4.41Å; F925-F1051 HydrophobicContact CZ-CZ 4.36Å; F925-F1059 AromaticContact CE1-CZ 3.95Å; F925-F1059 HydrophobicContact CE1-CZ 3.95Å; F925-F1059 HydrophobicContact CZ-CZ 4.1Å
926G86.1Confident92.8Very high10 Ų1046.3 Ų46.310%0.10325%0.245CC..BIsolated β-bridgetrans86.3-15.7179.400000116.6A928G926-A928 VanDerWaalsContact C-N 3.27Å; G926-A928 PolarHBondContact O-N 3.03Å
927G90.1Very high92.7Very high10 Ų1044.9 Ų44.910%0.10324%0.235CC..THydrogen-bonded Turntrans-77.6-2.6177.800000115.6G922 F925 L929 A931G922-G927 VanDerWaalsContact O-CA 3.22Å; G922-G927 WeakPolarHBondContact O-CA 3.45Å; G922-G927 PolarHBondContact O-N 3.26Å; F925-G927 VanDerWaalsContact C-N 3.35Å; F925-G927 PolarHBondContact O-N 3.05Å; G927-L929 VanDerWaalsContact C-N 3.33Å; G927-L929 PolarHBondContact O-N 3.18Å; G927-A931 WeakPolarHBondContact O-CB 3.46Å; G927-A931 PolarHBondContact O-N 3.11Å; G927-A931 VanDerWaalsContact O-N 3.08Å
928A91.4Very high92.7Very high25 Ų2550.7 Ų50.721%0.20726%0.262CS..Hα-helixtrans-67.7-29.8-175.500000113.5G926 A932 M961 D1016G926-A928 VanDerWaalsContact C-N 3.27Å; G926-A928 PolarHBondContact O-N 3.03Å; A928-A932 VanDerWaalsContact O-CB 3.26Å; A928-A932 WeakPolarHBondContact O-CB 3.34Å; A928-A932 PolarHBondContact O-N 2.95Å; A928-M961 HydrophobicContact CB-CE 4.49Å; A928-D1016 HydrophobicContact CB-CB 3.73Å
929L91.6Very high92.6Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-62.5-53.5177.7-78.576.2000110.7G927 A932 A933 D1016 I1019 L1047 F1051G927-L929 VanDerWaalsContact C-N 3.33Å; G927-L929 PolarHBondContact O-N 3.18Å; L929-A932 PolarHBondContact O-N 3.45Å; L929-A933 WeakPolarHBondContact O-CB 3.42Å; L929-A933 PolarHBondContact O-N 2.73Å; L929-D1016 HydrophobicContact CD1-CB 3.83Å; L929-D1016 WeakPolarHBondContact CD1-OD1 3.35Å; L929-D1016 HydrophobicContact CG-CB 4.28Å; L929-I1019 HydrophobicContact CD2-CB 4.19Å; L929-I1019 HydrophobicContact CD2-CD1 4.41Å; L929-I1019 HydrophobicContact CD2-CG2 3.7Å; L929-I1019 HydrophobicContact CG-CB 4.49Å; L929-I1019 HydrophobicContact CG-CG2 4.42Å; L929-L1047 HydrophobicContact CB-CB 4.45Å; L929-F1051 HydrophobicContact CD1-CB 4.37Å; L929-F1051 HydrophobicContact CD1-CD2 3.67Å; L929-F1051 HydrophobicContact CD1-CE2 4.38Å; L929-F1051 HydrophobicContact CD1-CG 4.32Å; L929-F1051 HydrophobicContact CD2-CB 4.28Å
930D92.8Very high92.6Very high16 Ų1645 Ų459%0.08623%0.23CC..Hα-helixtrans-67.2-41.6-178.6-170.460.3000111.6A932 A933 K934 L1047 N1048D930-A932 PolarHBondContact O-N 3.21Å; D930-A933 PolarHBondContact O-N 2.68Å; D930-K934 WeakPolarHBondContact O-CB 3.07Å; D930-K934 WeakPolarHBondContact O-CG 3.43Å; D930-K934 PolarHBondContact O-N 3.48Å; D930-K934 WeakPolarHBondContact OD1-CE 3.42Å; D930-K934 IonicContact OD1-NZ 2.62Å; D930-K934 WeakPolarHBondContact OD2-CE 3.43Å; D930-K934 IonicContact OD2-NZ 3.18Å; D930-K934 PolarHBondContact OD2-NZ 3.35Å; D930-L1047 HydrophobicContact CB-CB 4.33Å; D930-N1048 WeakPolarHBondContact CB-OD1 3.34Å; D930-N1048 PolarHBondContact OD2-ND2 3.32Å
931A94.1Very high92.6Very high34 Ų3446.8 Ų46.828%0.28124%0.238SC..Hα-helixtrans-63.5-41.117800000112.7G927 Q935 M961G927-A931 WeakPolarHBondContact O-CB 3.46Å; G927-A931 PolarHBondContact O-N 3.11Å; G927-A931 VanDerWaalsContact O-N 3.08Å; A931-Q935 VanDerWaalsContact O-CB 3.28Å; A931-Q935 WeakPolarHBondContact O-CB 3.48Å; A931-Q935 PolarHBondContact O-N 3.46Å; A931-M961 HydrophobicContact CB-CB 4.24Å; A931-M961 HydrophobicContact CB-CE 3.8Å; A931-M961 HydrophobicContact CB-CG 4.04Å
932A95.9Very high92.6Very high0 Ų048.4 Ų48.40%025%0.252CS..Hα-helixtrans-67.4-47.2176.200000111.3A928 L929 D930 K934 Q935 F936 M961A928-A932 VanDerWaalsContact O-CB 3.26Å; A928-A932 WeakPolarHBondContact O-CB 3.34Å; A928-A932 PolarHBondContact O-N 2.95Å; L929-A932 PolarHBondContact O-N 3.45Å; D930-A932 PolarHBondContact O-N 3.21Å; A932-K934 PolarHBondContact O-N 3.04Å; A932-Q935 PolarHBondContact O-N 3.21Å; A932-F936 HydrophobicContact CB-CD2 4.42Å; A932-F936 WeakPolarHBondContact O-CB 3.32Å; A932-F936 VanDerWaalsContact O-CD2 3.31Å; A932-F936 WeakPolarHBondContact O-CD2 3.48Å; A932-F936 PolarHBondContact O-N 3.05Å; A932-M961 HydrophobicContact CB-CB 4.21Å
933A96.2Very high92.9Very high0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-53.2-52.2176.500000111.7L929 D930 Q935 S937 V1024 V1042 L1047L929-A933 WeakPolarHBondContact O-CB 3.42Å; L929-A933 PolarHBondContact O-N 2.73Å; D930-A933 PolarHBondContact O-N 2.68Å; A933-Q935 PolarHBondContact O-N 3.2Å; A933-S937 WeakPolarHBondContact O-CB 3.36Å; A933-S937 PolarHBondContact O-N 3.39Å; A933-S937 PolarHBondContact O-OG 2.88Å; A933-V1024 HydrophobicContact CB-CG2 3.76Å; A933-V1042 HydrophobicContact CB-CG1 4.33Å; A933-L1047 HydrophobicContact CB-CD2 3.39Å
934K95.3Very high93.7Very high79 Ų7943.8 Ų43.834%0.34323%0.234SC..Hα-helixtrans-61.8-44.5179.3-72.5171.2175.3168.50112.7D930 A932 H938 V1042 E1043D930-K934 WeakPolarHBondContact O-CB 3.07Å; D930-K934 WeakPolarHBondContact O-CG 3.43Å; D930-K934 PolarHBondContact O-N 3.48Å; D930-K934 WeakPolarHBondContact OD1-CE 3.42Å; D930-K934 IonicContact OD1-NZ 2.62Å; D930-K934 WeakPolarHBondContact OD2-CE 3.43Å; D930-K934 IonicContact OD2-NZ 3.18Å; D930-K934 PolarHBondContact OD2-NZ 3.35Å; A932-K934 PolarHBondContact O-N 3.04Å; K934-H938 WeakPolarHBondContact O-CB 3.4Å; K934-H938 PolarHBondContact O-N 3.47Å; K934-V1042 WeakPolarHBondContact CE-O 3.49Å; K934-V1042 HydrophobicContact CG-CG1 4.03Å; K934-E1043 PolarHBondContact NZ-O 3.31Å; K934-E1043 VanDerWaalsContact NZ-O 3.09Å
935Q96.5Very high94.3Very high36 Ų3636.9 Ų36.917%0.16822%0.216CC..Hα-helixtrans-68.5-43.3-176.8-167.1-17644.600112.4A931 A932 A933 A939 F949 M953A931-Q935 VanDerWaalsContact O-CB 3.28Å; A931-Q935 WeakPolarHBondContact O-CB 3.48Å; A931-Q935 PolarHBondContact O-N 3.46Å; A932-Q935 PolarHBondContact O-N 3.21Å; A933-Q935 PolarHBondContact O-N 3.2Å; Q935-A939 PolarHBondContact O-N 3.37Å; Q935-F949 HydrophobicContact CG-CE2 4.08Å; Q935-F949 HydrophobicContact CG-CZ 3.9Å; Q935-M953 PolarHBondContact NE2-SD 3.12Å
936F97.8Very high94.6Very high0 Ų036.5 Ų36.50%022%0.217CC..Hα-helixtrans-70.2-44.2177.3-83-76.1000111.8A932 H938 A939 F940 F949 I960 M961 I963 L993 Y996 A997 V1000 L1013 V1021A932-F936 HydrophobicContact CB-CD2 4.42Å; A932-F936 WeakPolarHBondContact O-CB 3.32Å; A932-F936 VanDerWaalsContact O-CD2 3.31Å; A932-F936 WeakPolarHBondContact O-CD2 3.48Å; A932-F936 PolarHBondContact O-N 3.05Å; F936-H938 PolarHBondContact O-N 3.25Å; F936-A939 PolarHBondContact O-N 3.49Å; F936-F940 WeakPolarHBondContact O-CB 3.16Å; F936-F940 PolarHBondContact O-N 3.37Å; F936-F949 HydrophobicContact CD1-CE1 4.18Å; F936-F949 AromaticContact CE1-CE1 3.93Å; F936-F949 HydrophobicContact CE1-CE1 3.93Å; F936-F949 HydrophobicContact CZ-CE1 4.47Å; F936-I960 HydrophobicContact CE1-CG2 4.48Å; F936-I960 HydrophobicContact CE2-CG2 4.05Å; F936-I960 HydrophobicContact CZ-CG2 3.74Å; F936-M961 VanDerWaalsContact CE2-O 3.27Å; F936-M961 WeakPolarHBondContact CE2-O 3.44Å; F936-I963 HydrophobicContact CZ-CD1 4.24Å; F936-I963 HydrophobicContact CZ-CG1 4.09Å; F936-L993 HydrophobicContact CB-CD1 4.26Å; F936-L993 HydrophobicContact CB-CG 4.5Å; F936-Y996 HydrophobicContact CD1-CD1 4.08Å; F936-Y996 HydrophobicContact CD1-CE1 4.16Å; F936-A997 HydrophobicContact CD1-CB 4Å; F936-A997 HydrophobicContact CE1-CB 3.82Å; F936-A997 HydrophobicContact CZ-CB 4.23Å; F936-V1000 HydrophobicContact CE1-CB 3.99Å; F936-V1000 HydrophobicContact CE1-CG1 3.98Å; F936-V1000 HydrophobicContact CE1-CG2 4.04Å; F936-V1000 HydrophobicContact CZ-CG1 4.25Å; F936-L1013 HydrophobicContact CE2-CD1 4.49Å; F936-V1021 HydrophobicContact CB-CG1 3.64Å; F936-V1021 HydrophobicContact CD1-CG1 4.5Å; F936-V1021 HydrophobicContact CD2-CG1 3.71Å; F936-V1021 HydrophobicContact CE2-CG1 4.48Å; F936-V1021 HydrophobicContact CG-CG1 3.71Å
937S96.6Very high95Very high8 Ų840.6 Ų40.66%0.05623%0.234CC..Hα-helixtrans-55.5-51.5175-68.30000111.1A933 A939 F940 D941 L993A933-S937 WeakPolarHBondContact O-CB 3.36Å; A933-S937 PolarHBondContact O-N 3.39Å; A933-S937 PolarHBondContact O-OG 2.88Å; S937-A939 VanDerWaalsContact C-N 3.31Å; S937-A939 PolarHBondContact O-N 2.89Å; S937-F940 PolarHBondContact O-N 3.27Å; S937-D941 WeakPolarHBondContact O-CB 3.49Å; S937-D941 PolarHBondContact O-N 3.2Å; S937-L993 WeakPolarHBondContact OG-CD2 3.26Å
938H96.1Very high95.3Very high123 Ų12345 Ų4557%0.56925%0.252SS*.Hα-helixtrans-57.5-43.1178.3177.6-68.3000112.4K934 F936 S942K934-H938 WeakPolarHBondContact O-CB 3.4Å; K934-H938 PolarHBondContact O-N 3.47Å; F936-H938 PolarHBondContact O-N 3.25Å; H938-S942 VanDerWaalsContact O-CB 3.23Å; H938-S942 WeakPolarHBondContact O-CB 3.34Å; H938-S942 PolarHBondContact O-N 3.26Å; H938-S942 PolarHBondContact O-OG 3.18Å; H938-S942 VanDerWaalsContact O-OG 3.1Å
939A96.6Very high95.6Very high1 Ų144 Ų441%0.00824%0.243CC..Hα-helixtrans-64.5-48.5179.400000111.7Q935 F936 S937 S942 M944 F949 Y996Q935-A939 PolarHBondContact O-N 3.37Å; F936-A939 PolarHBondContact O-N 3.49Å; S937-A939 VanDerWaalsContact C-N 3.31Å; S937-A939 PolarHBondContact O-N 2.89Å; A939-S942 PolarHBondContact O-N 3.4Å; A939-S942 PolarHBondContact O-OG 2.85Å; A939-M944 WeakPolarHBondContact O-CB 3.18Å; A939-M944 PolarHBondContact O-N 3.44Å; A939-F949 HydrophobicContact CB-CB 4.3Å; A939-F949 HydrophobicContact CB-CD1 4.28Å; A939-F949 HydrophobicContact CB-CD2 3.43Å; A939-F949 VanDerWaalsContact CB-CD2 3.43Å; A939-F949 HydrophobicContact CB-CE2 3.72Å; A939-F949 HydrophobicContact CB-CG 3.74Å; A939-F949 HydrophobicContact CB-CZ 4.25Å; A939-Y996 HydrophobicContact CB-CE1 4.13Å
940F96.8Very high95.8Very high59 Ų5944.4 Ų44.426%0.25925%0.245SC..Hα-helixtrans-62.6-48.2178.7179.4-98.4000112.2F936 S937 S942 G943 Q992 L993 Y996F936-F940 WeakPolarHBondContact O-CB 3.16Å; F936-F940 PolarHBondContact O-N 3.37Å; S937-F940 PolarHBondContact O-N 3.27Å; F940-S942 PolarHBondContact O-N 2.98Å; F940-G943 PolarHBondContact O-N 3.26Å; F940-Q992 HydrophobicContact CE2-CB 4.35Å; F940-Q992 HydrophobicContact CZ-CB 3.84Å; F940-L993 HydrophobicContact CB-CD1 3.37Å; F940-L993 HydrophobicContact CD1-CD1 4.06Å; F940-L993 HydrophobicContact CD2-CD1 4.23Å; F940-L993 HydrophobicContact CG-CD1 3.63Å; F940-Y996 HydrophobicContact CB-CD1 4.28Å; F940-Y996 HydrophobicContact CB-CG 4.36Å; F940-Y996 HydrophobicContact CD2-CD1 4.45Å; F940-Y996 AromaticContact CD2-CD2 3.78Å; F940-Y996 HydrophobicContact CD2-CD2 3.78Å; F940-Y996 AromaticContact CD2-CG 3.73Å; F940-Y996 HydrophobicContact CD2-CG 3.73Å
941D95.1Very high95.9Very high73 Ų7347.2 Ų47.239%0.3926%0.26SS..Hα-helixtrans-68.3-25.4-177.8-60.7-33.4000112S937 G943 R1028 R1035S937-D941 WeakPolarHBondContact O-CB 3.49Å; S937-D941 PolarHBondContact O-N 3.2Å; D941-G943 PolarHBondContact O-N 3Å; D941-R1028 IonicContact OD1-CZ 2.76Å; D941-R1028 IonicContact OD1-NH1 2.6Å; D941-R1028 PolarHBondContact OD1-NH1 2.8Å; D941-R1028 IonicContact OD1-NH2 2.73Å; D941-R1028 IonicContact OD2-CZ 2.77Å; D941-R1028 IonicContact OD2-NH1 2.75Å; D941-R1028 PolarHBondContact OD2-NH1 2.79Å; D941-R1028 IonicContact OD2-NH2 3.64Å; D941-R1028 PolarHBondContact OD2-NH2 3.44Å; D941-R1035 IonicContact OD1-CZ 2.73Å; D941-R1035 IonicContact OD1-NH1 3.62Å; D941-R1035 IonicContact OD1-NH2 2.74Å; D941-R1035 PolarHBondContact OD1-NH2 2.94Å; D941-R1035 IonicContact OD2-NH2 2.69Å; D941-R1035 PolarHBondContact OD2-NH2 3.36Å
942S95.1Very high95.9Very high63 Ų6349.5 Ų49.544%0.44126%0.264SS..THydrogen-bonded Turntrans-75.9-2172.371.30000114.4H938 A939 F940 M944H938-S942 VanDerWaalsContact O-CB 3.23Å; H938-S942 WeakPolarHBondContact O-CB 3.34Å; H938-S942 PolarHBondContact O-N 3.26Å; H938-S942 PolarHBondContact O-OG 3.18Å; H938-S942 VanDerWaalsContact O-OG 3.1Å; A939-S942 PolarHBondContact O-N 3.4Å; A939-S942 PolarHBondContact O-OG 2.85Å; F940-S942 PolarHBondContact O-N 2.98Å; S942-M944 PolarHBondContact O-N 3.34Å
943G94.8Very high96Very high61 Ų6150.3 Ų50.363%0.62927%0.268SS*.THydrogen-bonded Turntrans71.514.4-178.300000114.3F940 D941F940-G943 PolarHBondContact O-N 3.26Å; D941-G943 PolarHBondContact O-N 3Å
944M95.7Very high95.9Very high35 Ų3558 Ų5817%0.17230%0.301CS..  trans-72.2135.4-178.8-168.4171.7-56.700110.4A939 S942 E948 F949 K952 Y996A939-M944 WeakPolarHBondContact O-CB 3.18Å; A939-M944 PolarHBondContact O-N 3.44Å; S942-M944 PolarHBondContact O-N 3.34Å; M944-E948 HydrophobicContact CG-CB 3.54Å; M944-E948 HydrophobicContact SD-CB 4.31Å; M944-F949 HydrophobicContact CG-CB 4.12Å; M944-F949 WeakPolarHBondContact SD-CA 3.41Å; M944-F949 HydrophobicContact SD-CB 3.75Å; M944-F949 HydrophobicContact SD-CD2 4.4Å; M944-F949 PolarHBondContact SD-N 2.88Å; M944-K952 HydrophobicContact CE-CD 3.57Å; M944-K952 HydrophobicContact SD-CB 4.29Å; M944-K952 HydrophobicContact SD-CD 3.9Å; M944-Y996 WeakPolarHBondContact O-CE2 3.49Å; M944-Y996 PolarHBondContact O-OH 3.48Å
945L96.1Very high95.9Very high110 Ų11063 Ų6358%0.57632%0.323SS*.  trans-71.6150.7174.7-63.5175.4000110.6M947 E948 F949L945-M947 PolarHBondContact O-N 2.74Å; L945-M947 VanDerWaalsContact O-N 3.08Å; L945-E948 HydrophobicContact CB-CG 4.13Å; L945-E948 PolarHBondContact N-OE2 3.47Å; L945-E948 WeakPolarHBondContact O-CA 3.41Å; L945-E948 WeakPolarHBondContact O-CB 3.16Å; L945-E948 PolarHBondContact O-N 2.97Å; L945-F949 PolarHBondContact O-N 3.29Å
946P97.1Very high95.8Very high24 Ų2464.9 Ų64.916%0.15633%0.334CS..Hα-helixtrans-50.2-40.4-179.1-31.436.4000114.4F949 V950 Y996 E999 V1000 I1003P946-F949 PolarHBondContact O-N 3.07Å; P946-V950 VanDerWaalsContact O-CG2 3.32Å; P946-V950 WeakPolarHBondContact O-CG2 3.49Å; P946-V950 PolarHBondContact O-N 3.47Å; P946-Y996 HydrophobicContact CB-CE2 4.36Å; P946-Y996 HydrophobicContact CG-CD2 3.78Å; P946-Y996 HydrophobicContact CG-CE2 3.61Å; P946-E999 HydrophobicContact CB-CB 4.03Å; P946-E999 HydrophobicContact CG-CB 3.76Å; P946-V1000 HydrophobicContact CB-CG2 3.78Å; P946-I1003 HydrophobicContact CB-CD1 3.77Å
947M94.5Very high95.6Very high95 Ų9568.3 Ų68.347%0.46837%0.369SS..Hα-helixtrans-69.5-37.3178.4-170.662.317600112.8L945 N951 I1003L945-M947 PolarHBondContact O-N 2.74Å; L945-M947 VanDerWaalsContact O-N 3.08Å; M947-N951 WeakPolarHBondContact O-CB 3.33Å; M947-N951 VanDerWaalsContact O-CG 3.22Å; M947-N951 PolarHBondContact O-N 3.28Å; M947-N951 PolarHBondContact O-ND2 3.22Å; M947-I1003 HydrophobicContact CB-CD1 3.95Å; M947-I1003 HydrophobicContact SD-CD1 4.11Å; M947-I1003 HydrophobicContact SD-CG1 4.38Å; M947-I1003 HydrophobicContact SD-CG2 3.56Å; M947-I1003 VanDerWaalsContact SD-CG2 3.56Å
948E95.1Very high95.5Very high104 Ų10474 Ų7449%0.48639%0.393SS..Hα-helixtrans-65.9-41.2175.6-64.6176.1155.900110.6M944 L945 N951 K952M944-E948 HydrophobicContact CG-CB 3.54Å; M944-E948 HydrophobicContact SD-CB 4.31Å; L945-E948 HydrophobicContact CB-CG 4.13Å; L945-E948 PolarHBondContact N-OE2 3.47Å; L945-E948 WeakPolarHBondContact O-CA 3.41Å; L945-E948 WeakPolarHBondContact O-CB 3.16Å; L945-E948 PolarHBondContact O-N 2.97Å; E948-N951 PolarHBondContact O-N 3.13Å; E948-K952 VanDerWaalsContact O-CB 3.32Å; E948-K952 WeakPolarHBondContact O-CB 3.09Å; E948-K952 PolarHBondContact O-N 2.94Å
949F97.4Very high95.5Very high4 Ų475.7 Ų75.72%0.01841%0.405CS..Hα-helixtrans-61.7-47.9175.5171.3-120.5000112.5Q935 F936 A939 M944 L945 P946 N951 K952 M953 I960 Y996 V1000Q935-F949 HydrophobicContact CG-CE2 4.08Å; Q935-F949 HydrophobicContact CG-CZ 3.9Å; F936-F949 HydrophobicContact CD1-CE1 4.18Å; F936-F949 AromaticContact CE1-CE1 3.93Å; F936-F949 HydrophobicContact CE1-CE1 3.93Å; F936-F949 HydrophobicContact CZ-CE1 4.47Å; A939-F949 HydrophobicContact CB-CB 4.3Å; A939-F949 HydrophobicContact CB-CD1 4.28Å; A939-F949 HydrophobicContact CB-CD2 3.43Å; A939-F949 VanDerWaalsContact CB-CD2 3.43Å; A939-F949 HydrophobicContact CB-CE2 3.72Å; A939-F949 HydrophobicContact CB-CG 3.74Å; A939-F949 HydrophobicContact CB-CZ 4.25Å; M944-F949 HydrophobicContact CG-CB 4.12Å; M944-F949 WeakPolarHBondContact SD-CA 3.41Å; M944-F949 HydrophobicContact SD-CB 3.75Å; M944-F949 HydrophobicContact SD-CD2 4.4Å; M944-F949 PolarHBondContact SD-N 2.88Å; L945-F949 PolarHBondContact O-N 3.29Å; P946-F949 PolarHBondContact O-N 3.07Å; F949-N951 VanDerWaalsContact C-N 3.29Å; F949-N951 PolarHBondContact O-N 3.08Å; F949-K952 PolarHBondContact O-N 3.29Å; F949-M953 HydrophobicContact CD2-CE 4.43Å; F949-M953 HydrophobicContact CD2-CG 3.95Å; F949-M953 HydrophobicContact CE2-CE 4.12Å; F949-M953 HydrophobicContact CE2-CG 3.5Å; F949-M953 HydrophobicContact CE2-SD 3.93Å; F949-M953 HydrophobicContact CZ-CG 3.93Å; F949-M953 WeakPolarHBondContact O-CG 3.31Å; F949-M953 PolarHBondContact O-N 2.86Å; F949-I960 HydrophobicContact CE1-CD1 4.22Å; F949-I960 HydrophobicContact CE1-CG1 4.33Å; F949-I960 HydrophobicContact CE1-CG2 3.85Å; F949-I960 HydrophobicContact CZ-CG1 4.41Å; F949-I960 HydrophobicContact CZ-CG2 4Å; F949-Y996 VanDerWaalsContact CB-OH 3.22Å; F949-Y996 WeakPolarHBondContact CB-OH 3.22Å; F949-Y996 HydrophobicContact CD1-CE1 4.35Å; F949-V1000 HydrophobicContact CD1-CG1 4.32Å; F949-V1000 HydrophobicContact CD1-CG2 3.84Å; F949-V1000 HydrophobicContact CE1-CG1 4.32Å; F949-V1000 HydrophobicContact CE1-CG2 4.38Å
950V95.9Very high95.5Very high7 Ų776.6 Ų76.64%0.04241%0.41CS..Hα-helixtrans-59.3-41.9176.6171.10000111.4P946 K954 I960 V1000 I1003 T1004P946-V950 VanDerWaalsContact O-CG2 3.32Å; P946-V950 WeakPolarHBondContact O-CG2 3.49Å; P946-V950 PolarHBondContact O-N 3.47Å; V950-K954 PolarHBondContact O-N 2.95Å; V950-I960 HydrophobicContact CB-CD1 4.44Å; V950-I960 HydrophobicContact CG2-CD1 3.86Å; V950-V1000 HydrophobicContact CG2-CG1 3.84Å; V950-I1003 HydrophobicContact CB-CG2 4.26Å; V950-I1003 HydrophobicContact CG1-CG2 4.03Å; V950-I1003 HydrophobicContact CG2-CB 4.38Å; V950-I1003 HydrophobicContact CG2-CG2 4.04Å; V950-T1004 HydrophobicContact CG2-CG2 4.21Å
951N94.9Very high95.5Very high76 Ų7677.2 Ų77.241%0.40642%0.415SS..Hα-helixtrans-70.4-39179.1-71.7-23.7000112.3M947 E948 F949 K954 K955M947-N951 WeakPolarHBondContact O-CB 3.33Å; M947-N951 VanDerWaalsContact O-CG 3.22Å; M947-N951 PolarHBondContact O-N 3.28Å; M947-N951 PolarHBondContact O-ND2 3.22Å; E948-N951 PolarHBondContact O-N 3.13Å; F949-N951 VanDerWaalsContact C-N 3.29Å; F949-N951 PolarHBondContact O-N 3.08Å; N951-K954 PolarHBondContact O-N 3.08Å; N951-K955 WeakPolarHBondContact O-CB 3.46Å; N951-K955 PolarHBondContact O-N 2.86Å
952K95Very high95.5Very high81 Ų8174 Ų7435%0.35240%0.399SS..Hα-helixtrans-60.9-49175.3-177.4178.4176.3177.50111.2M944 E948 F949 K954 K955 D956M944-K952 HydrophobicContact CE-CD 3.57Å; M944-K952 HydrophobicContact SD-CB 4.29Å; M944-K952 HydrophobicContact SD-CD 3.9Å; E948-K952 VanDerWaalsContact O-CB 3.32Å; E948-K952 WeakPolarHBondContact O-CB 3.09Å; E948-K952 PolarHBondContact O-N 2.94Å; F949-K952 PolarHBondContact O-N 3.29Å; K952-K954 VanDerWaalsContact C-N 3.31Å; K952-K954 PolarHBondContact O-N 3.09Å; K952-K955 WeakPolarHBondContact O-CB 3.44Å; K952-K955 PolarHBondContact O-N 3.34Å; K952-K955 VanDerWaalsContact O-N 3.09Å; K952-D956 WeakPolarHBondContact O-CB 3.22Å; K952-D956 VanDerWaalsContact O-CG 3.25Å; K952-D956 PolarHBondContact O-N 2.73Å
953M96.5Very high95.5Very high17 Ų1772.3 Ų72.38%0.08438%0.384CS..Hα-helixtrans-60.6-41.5178.4-68-59.9101.200112Q935 F949 K955 D956 G957 K958 I960Q935-M953 PolarHBondContact NE2-SD 3.12Å; F949-M953 HydrophobicContact CD2-CE 4.43Å; F949-M953 HydrophobicContact CD2-CG 3.95Å; F949-M953 HydrophobicContact CE2-CE 4.12Å; F949-M953 HydrophobicContact CE2-CG 3.5Å; F949-M953 HydrophobicContact CE2-SD 3.93Å; F949-M953 HydrophobicContact CZ-CG 3.93Å; F949-M953 WeakPolarHBondContact O-CG 3.31Å; F949-M953 PolarHBondContact O-N 2.86Å; M953-K955 PolarHBondContact O-N 3.4Å; M953-D956 PolarHBondContact O-N 3.25Å; M953-G957 PolarHBondContact O-N 3.09Å; M953-K958 CarbonylContact C-O 3.53Å; M953-K958 PolarHBondContact O-N 2.85Å; M953-K958 HydrophobicContact SD-CB 4.19Å; M953-I960 HydrophobicContact CB-CG1 3.99Å; M953-I960 HydrophobicContact CG-CG1 3.98Å
954K94.3Very high95.5Very high161 Ų16170.3 Ų70.370%0.736%0.364SS*.Hα-helixtrans-60.6-44.8173.2-175.8-177.6176.6-173.20112.1V950 N951 K952 D956 G957V950-K954 PolarHBondContact O-N 2.95Å; N951-K954 PolarHBondContact O-N 3.08Å; K952-K954 VanDerWaalsContact C-N 3.31Å; K952-K954 PolarHBondContact O-N 3.09Å; K954-D956 VanDerWaalsContact C-N 3.32Å; K954-G957 PolarHBondContact O-N 3.05Å
955K95.4Very high95.5Very high186 Ų18671 Ų7181%0.80937%0.366SS*.Hα-helixtrans-63-39.6178.8-175.2-178.4177.7-1770111.7N951 K952 M953 G957N951-K955 WeakPolarHBondContact O-CB 3.46Å; N951-K955 PolarHBondContact O-N 2.86Å; K952-K955 WeakPolarHBondContact O-CB 3.44Å; K952-K955 PolarHBondContact O-N 3.34Å; K952-K955 VanDerWaalsContact O-N 3.09Å; M953-K955 PolarHBondContact O-N 3.4Å; K955-G957 PolarHBondContact O-N 3.43Å
956D94.7Very high95.2Very high75 Ų7577.4 Ų77.440%0.40138%0.383SS..THydrogen-bonded Turntrans-78.5-0.4-179.9-63.7-10.7000112.9K952 M953 K954 K958K952-D956 WeakPolarHBondContact O-CB 3.22Å; K952-D956 VanDerWaalsContact O-CG 3.25Å; K952-D956 PolarHBondContact O-N 2.73Å; M953-D956 PolarHBondContact O-N 3.25Å; K954-D956 VanDerWaalsContact C-N 3.32Å; D956-K958 HydrophobicContact CB-CD 4.29Å; D956-K958 HydrophobicContact CB-CG 4.3Å; D956-K958 PolarHBondContact O-N 3.5Å
957G94.4Very high94.8Very high71 Ų7181.5 Ų81.573%0.73241%0.407SS*.THydrogen-bonded Turntrans67.922.6-177.600000113.8M953 K954 K955M953-G957 PolarHBondContact O-N 3.09Å; K954-G957 PolarHBondContact O-N 3.05Å; K955-G957 PolarHBondContact O-N 3.43Å
958K94.7Very high94.8Very high128 Ų12879.6 Ų79.656%0.55740%0.396SS*.  trans-107.6138.2-177-66.1178.2-176.7176.80111M953 D956M953-K958 CarbonylContact C-O 3.53Å; M953-K958 PolarHBondContact O-N 2.85Å; M953-K958 HydrophobicContact SD-CB 4.19Å; D956-K958 HydrophobicContact CB-CD 4.29Å; D956-K958 HydrophobicContact CB-CG 4.3Å; D956-K958 PolarHBondContact O-N 3.5Å
959L94.8Very high94.7Very high158 Ų15875.9 Ų75.983%0.82738%0.382SS*.PPolyproline II helixtrans-77.8153166.4-62178.8000109.7
960I96.9Very high94.4Very high21 Ų2180.3 Ų80.311%0.10841%0.405CS..PPolyproline II helixtrans-81.9118.9175.3-56.9170.2000107.6F936 F949 V950 M953 I963 V1000 T1004F936-I960 HydrophobicContact CE1-CG2 4.48Å; F936-I960 HydrophobicContact CE2-CG2 4.05Å; F936-I960 HydrophobicContact CZ-CG2 3.74Å; F949-I960 HydrophobicContact CE1-CD1 4.22Å; F949-I960 HydrophobicContact CE1-CG1 4.33Å; F949-I960 HydrophobicContact CE1-CG2 3.85Å; F949-I960 HydrophobicContact CZ-CG1 4.41Å; F949-I960 HydrophobicContact CZ-CG2 4Å; V950-I960 HydrophobicContact CB-CD1 4.44Å; V950-I960 HydrophobicContact CG2-CD1 3.86Å; M953-I960 HydrophobicContact CB-CG1 3.99Å; M953-I960 HydrophobicContact CG-CG1 3.98Å; I960-I963 HydrophobicContact CB-CB 4.12Å; I960-I963 HydrophobicContact CB-CG1 3.98Å; I960-I963 HydrophobicContact CG2-CB 4.22Å; I960-I963 HydrophobicContact CG2-CG1 3.57Å; I960-I963 PolarHBondContact O-N 3.29Å; I960-V1000 HydrophobicContact CD1-CG1 4.02Å; I960-T1004 HydrophobicContact CD1-CG2 4.09Å
961M96.3Very high94.1Very high72 Ų7286.9 Ų86.936%0.35544%0.44SS..THydrogen-bonded Turntrans-65.8137.6177.4-63.5-56.7-66.500109.6A928 A931 A932 F936 I963A928-M961 HydrophobicContact CB-CE 4.49Å; A931-M961 HydrophobicContact CB-CB 4.24Å; A931-M961 HydrophobicContact CB-CE 3.8Å; A931-M961 HydrophobicContact CB-CG 4.04Å; A932-M961 HydrophobicContact CB-CB 4.21Å; F936-M961 VanDerWaalsContact CE2-O 3.27Å; F936-M961 WeakPolarHBondContact CE2-O 3.44Å; M961-I963 VanDerWaalsContact C-N 3.28Å; M961-I963 PolarHBondContact O-N 2.84Å
962G95Very high94Very high5 Ų586.7 Ų86.75%0.05244%0.439CS..THydrogen-bonded Turntrans82.6-3.6-174.800000115.1N1014G962-N1014 WeakPolarHBondContact CA-OD1 3.46Å; G962-N1014 PolarHBondContact O-N 3.34Å; G962-N1014 PolarHBondContact O-ND2 2.95Å; G962-N1014 PolarHBondContact O-OD1 3.46Å
963I96.8Very high93.9Very high27 Ų2785 Ų8514%0.13844%0.436CS..BIsolated β-bridgetrans-108.2129.3175.2-62.5-65.8000110.6F936 I960 M961 T1004 L1011 L1013F936-I963 HydrophobicContact CZ-CD1 4.24Å; F936-I963 HydrophobicContact CZ-CG1 4.09Å; I960-I963 HydrophobicContact CB-CB 4.12Å; I960-I963 HydrophobicContact CB-CG1 3.98Å; I960-I963 HydrophobicContact CG2-CB 4.22Å; I960-I963 HydrophobicContact CG2-CG1 3.57Å; I960-I963 PolarHBondContact O-N 3.29Å; M961-I963 VanDerWaalsContact C-N 3.28Å; M961-I963 PolarHBondContact O-N 2.84Å; I963-T1004 HydrophobicContact CG2-CG2 4.14Å; I963-L1011 HydrophobicContact CG2-CB 4.01Å; I963-L1013 HydrophobicContact CD1-CB 4.27Å; I963-L1013 HydrophobicContact CD1-CD1 3.94Å
964G94.4Very high93.8Very high20 Ų2084.6 Ų84.621%0.20643%0.434CS..  trans114.2140.6175.600000113.9N1010 I1012 N1014G964-N1010 WeakPolarHBondContact CA-O 3.24Å; G964-I1012 PolarHBondContact N-O 2.78Å; G964-N1014 PolarHBondContact O-ND2 3.17Å
965H95.8Very high93.9Very high48 Ų4882.4 Ų82.422%0.22243%0.428CS..  trans-138.3149.2173.8-166.5-68.2000110.9V967 K968 N1010 I1012H965-V967 PolarHBondContact ND1-N 2.78Å; H965-K968 HydrophobicContact CB-CB 4.17Å; H965-K968 VanDerWaalsContact CE1-CG 3.46Å; H965-K968 WeakPolarHBondContact CE1-CG 3.5Å; H965-K968 PolarHBondContact ND1-N 3Å; H965-N1010 PolarHBondContact N-O 3.35Å; H965-N1010 PolarHBondContact O-ND2 3.41Å; H965-I1012 HydrophobicContact CB-CD1 4.08Å; H965-I1012 HydrophobicContact CB-CG1 3.96Å
966R89.9Confident93.9Very high245 Ų24576.2 Ų76.293%0.92540%0.4SS*.SBendtrans-68.4-45.7179.9-68-174.9178.6-175.8-0.4113.4
967V88.4Confident94Very high110 Ų11073.1 Ų73.167%0.66738%0.383SS*.SBendtrans-114-45.4-175.8-177.90000114.3H965H965-V967 PolarHBondContact ND1-N 2.78Å
968K94.1Very high94.1Very high55 Ų5572.7 Ų72.724%0.23936%0.362CS..  trans-67.8152.1-178.8-57.9-60.8-173.2160.10112.7H965 N972 P973 D974 N1010 I1012H965-K968 HydrophobicContact CB-CB 4.17Å; H965-K968 VanDerWaalsContact CE1-CG 3.46Å; H965-K968 WeakPolarHBondContact CE1-CG 3.5Å; H965-K968 PolarHBondContact ND1-N 3Å; K968-N972 WeakPolarHBondContact CA-O 3.47Å; K968-N972 WeakPolarHBondContact CB-O 3.24Å; K968-N972 WeakPolarHBondContact CD-O 3.44Å; K968-N972 PolarHBondContact NZ-OD1 3.13Å; K968-P973 PolarHBondContact NZ-O 3.06Å; K968-D974 HydrophobicContact CG-CB 4.25Å; K968-N1010 WeakPolarHBondContact O-CB 3.29Å; K968-I1012 HydrophobicContact CB-CD1 3.76Å
969S92.4Very high94.1Very high26 Ų2671 Ų7118%0.18236%0.358CS..BIsolated β-bridgetrans-149.3175.2-176.371.20000111N971 N972 P1009S969-N971 PolarHBondContact O-N 3.27Å; S969-N971 VanDerWaalsContact O-N 3.13Å; S969-N971 PolarHBondContact OG-N 3.04Å; S969-N972 PolarHBondContact N-O 3.32Å; S969-N972 CarbonylContact O-C 3.03Å; S969-N972 PolarHBondContact O-N 2.77Å; S969-N972 PolarHBondContact OG-N 3.46Å; S969-P1009 CarbonylContact C-O 3.6Å; S969-P1009 WeakPolarHBondContact CA-O 3.09Å; S969-P1009 VanDerWaalsContact CB-O 3.27Å; S969-P1009 WeakPolarHBondContact CB-O 3.34Å
970I91.2Very high94.3Very high97 Ų9763.4 Ų63.450%0.49732%0.319SS..THydrogen-bonded Turntrans-56.8-28.7177.6-165.6167.7000113.4T1005 P1009 I1012I970-T1005 HydrophobicContact CB-CG2 4.41Å; I970-T1005 HydrophobicContact CD1-CG2 4.46Å; I970-P1009 HydrophobicContact CG2-CB 4.32Å; I970-P1009 PolarHBondContact N-O 3Å; I970-I1012 HydrophobicContact CB-CG2 4.39Å
971N90.2Very high94.2Very high146 Ų14665 Ų6578%0.78133%0.325SS*.THydrogen-bonded Turntrans-94-8.3178.1-59.7-29.1000113.3S969S969-N971 PolarHBondContact O-N 3.27Å; S969-N971 VanDerWaalsContact O-N 3.13Å; S969-N971 PolarHBondContact OG-N 3.04Å
972N93.3Very high94.2Very high71 Ų7166.4 Ų66.438%0.3833%0.334SS..BIsolated β-bridgetrans-139.180.3177.9175.612.6000108.1K968 S969K968-N972 WeakPolarHBondContact CA-O 3.47Å; K968-N972 WeakPolarHBondContact CB-O 3.24Å; K968-N972 WeakPolarHBondContact CD-O 3.44Å; K968-N972 PolarHBondContact NZ-OD1 3.13Å; S969-N972 PolarHBondContact N-O 3.32Å; S969-N972 CarbonylContact O-C 3.03Å; S969-N972 PolarHBondContact O-N 2.77Å; S969-N972 PolarHBondContact OG-N 3.46Å
973P92.5Very high94.4Very high45 Ų4567.1 Ų67.129%0.29234%0.335SS..  trans-69.4156.8-168.427.1-34.7000112.9K968 M975 Q978K968-P973 PolarHBondContact NZ-O 3.06Å; P973-M975 PolarHBondContact O-N 3.01Å; P973-Q978 HydrophobicContact CB-CG 3.91Å; P973-Q978 HydrophobicContact CG-CG 4.26Å
974D95.1Very high94.4Very high10 Ų1065.9 Ų65.95%0.05333%0.329CS..  trans-74.9117165.1-172.4-22000109K968 R976 V977 Q978K968-D974 HydrophobicContact CG-CB 4.25Å; D974-R976 PolarHBondContact O-N 3.4Å; D974-R976 WeakPolarHBondContact OD1-CB 3.47Å; D974-R976 PolarHBondContact OD1-N 2.99Å; D974-R976 IonicContact OD1-NE 3.12Å; D974-R976 PolarHBondContact OD1-NE 2.92Å; D974-R976 IonicContact OD1-NH2 3.03Å; D974-R976 IonicContact OD2-CZ 3.49Å; D974-R976 IonicContact OD2-NE 2.6Å; D974-R976 PolarHBondContact OD2-NE 3.28Å; D974-R976 IonicContact OD2-NH2 3.9Å; D974-R976 PolarHBondContact OD2-NH2 3.47Å; D974-V977 HydrophobicContact CB-CB 4.27Å; D974-V977 HydrophobicContact CB-CG2 3.97Å; D974-V977 WeakPolarHBondContact O-CB 3.33Å; D974-V977 PolarHBondContact O-N 3.3Å; D974-V977 VanDerWaalsContact O-N 3.15Å; D974-Q978 PolarHBondContact O-N 3.4Å; D974-Q978 VanDerWaalsContact O-N 3.1Å
975M95.5Very high94.4Very high114 Ų11469.2 Ų69.256%0.56234%0.338SS*.Hα-helixtrans-64.1-28.9-176.9-66.1-54.4-59.200112.9P973 V977 Q978 I979P973-M975 PolarHBondContact O-N 3.01Å; M975-V977 VanDerWaalsContact C-N 3.32Å; M975-Q978 PolarHBondContact O-N 3.35Å; M975-I979 WeakPolarHBondContact O-CD1 3.4Å; M975-I979 VanDerWaalsContact O-CG1 3.23Å; M975-I979 WeakPolarHBondContact O-CG1 3.37Å; M975-I979 PolarHBondContact O-N 3.04Å
976R96.2Very high94.5Very high57 Ų5774.4 Ų74.422%0.21536%0.362CS..Hα-helixtrans-65.5-40.5176.3-62.9171.1-64.9176.30.5110.9V886 H890 D974 L980 V1015V886-R976 HydrophobicContact CB-CB 4.48Å; V886-R976 HydrophobicContact CB-CG 4.42Å; V886-R976 HydrophobicContact CG1-CB 4.41Å; V886-R976 HydrophobicContact CG1-CG 4.43Å; H890-R976 PolarHBondContact CD2-NH1 2.93Å; H890-R976 PolarHBondContact NE2-NH1 3.24Å; D974-R976 PolarHBondContact O-N 3.4Å; D974-R976 WeakPolarHBondContact OD1-CB 3.47Å; D974-R976 PolarHBondContact OD1-N 2.99Å; D974-R976 IonicContact OD1-NE 3.12Å; D974-R976 PolarHBondContact OD1-NE 2.92Å; D974-R976 IonicContact OD1-NH2 3.03Å; D974-R976 IonicContact OD2-CZ 3.49Å; D974-R976 IonicContact OD2-NE 2.6Å; D974-R976 PolarHBondContact OD2-NE 3.28Å; D974-R976 IonicContact OD2-NH2 3.9Å; D974-R976 PolarHBondContact OD2-NH2 3.47Å; R976-L980 WeakPolarHBondContact O-CG 3.32Å; R976-L980 PolarHBondContact O-N 3.31Å; R976-V1015 HydrophobicContact CB-CB 4.45Å; R976-V1015 HydrophobicContact CB-CG2 3.9Å
977V96.4Very high94.8Very high9 Ų965.6 Ų65.66%0.05533%0.333CS..Hα-helixtrans-65.4-43.9175.6176.60000110.2D974 M975 L980 K981 V1015 F1018D974-V977 HydrophobicContact CB-CB 4.27Å; D974-V977 HydrophobicContact CB-CG2 3.97Å; D974-V977 WeakPolarHBondContact O-CB 3.33Å; D974-V977 PolarHBondContact O-N 3.3Å; D974-V977 VanDerWaalsContact O-N 3.15Å; M975-V977 VanDerWaalsContact C-N 3.32Å; V977-L980 PolarHBondContact O-N 3.34Å; V977-K981 WeakPolarHBondContact O-CB 3.48Å; V977-K981 PolarHBondContact O-N 2.99Å; V977-V1015 HydrophobicContact CG2-CB 4.04Å; V977-F1018 HydrophobicContact CG1-CB 4.27Å; V977-F1018 HydrophobicContact CG1-CD2 3.74Å; V977-F1018 HydrophobicContact CG1-CE2 4.47Å; V977-F1018 HydrophobicContact CG1-CG 4.07Å; V977-F1018 HydrophobicContact CG2-CB 4.36Å
978Q95.6Very high95.3Very high63 Ų6361.3 Ų61.329%0.29431%0.306SS..Hα-helixtrans-61.1-48.9177.9-63-56-57.600112.2P973 D974 M975 L980 K981 D982P973-Q978 HydrophobicContact CB-CG 3.91Å; P973-Q978 HydrophobicContact CG-CG 4.26Å; D974-Q978 PolarHBondContact O-N 3.4Å; D974-Q978 VanDerWaalsContact O-N 3.1Å; M975-Q978 PolarHBondContact O-N 3.35Å; Q978-L980 VanDerWaalsContact C-N 3.35Å; Q978-L980 PolarHBondContact O-N 3.47Å; Q978-K981 PolarHBondContact O-N 3.37Å; Q978-K981 VanDerWaalsContact O-N 3.15Å; Q978-D982 VanDerWaalsContact O-CG 3.26Å; Q978-D982 PolarHBondContact O-N 3.39Å
979I96.3Very high95.2Very high91 Ų9163 Ų6347%0.46732%0.322SS..Hα-helixtrans-57.3-46.9180-69.3162.9000111.5M882 M975 F983M882-I979 HydrophobicContact CE-CG2 3.75Å; M975-I979 WeakPolarHBondContact O-CD1 3.4Å; M975-I979 VanDerWaalsContact O-CG1 3.23Å; M975-I979 WeakPolarHBondContact O-CG1 3.37Å; M975-I979 PolarHBondContact O-N 3.04Å; I979-F983 PolarHBondContact O-N 3.06Å
980L97.3Very high95.3Very high0 Ų063.5 Ų63.50%033%0.326CS..Hα-helixtrans-70.4-37.2178.7-67.4174.1000112F879 M882 V886 R976 V977 Q978 F983 V984 V1015 F1018 I1019F879-L980 HydrophobicContact CD2-CD2 4.47Å; F879-L980 HydrophobicContact CE2-CD2 4.03Å; M882-L980 HydrophobicContact CB-CD2 3.79Å; M882-L980 HydrophobicContact CE-CD2 4.16Å; V886-L980 HydrophobicContact CG2-CD1 3.96Å; R976-L980 WeakPolarHBondContact O-CG 3.32Å; R976-L980 PolarHBondContact O-N 3.31Å; V977-L980 PolarHBondContact O-N 3.34Å; Q978-L980 VanDerWaalsContact C-N 3.35Å; Q978-L980 PolarHBondContact O-N 3.47Å; L980-F983 PolarHBondContact O-N 3.46Å; L980-V984 WeakPolarHBondContact O-CB 3.46Å; L980-V984 VanDerWaalsContact O-CG2 3.27Å; L980-V984 WeakPolarHBondContact O-CG2 3.35Å; L980-V984 PolarHBondContact O-N 3.41Å; L980-V1015 HydrophobicContact CD1-CG2 4.31Å; L980-F1018 HydrophobicContact CB-CD1 3.73Å; L980-F1018 HydrophobicContact CB-CE1 3.34Å; L980-F1018 HydrophobicContact CB-CZ 4.18Å; L980-F1018 HydrophobicContact CD1-CD1 4Å; L980-F1018 HydrophobicContact CD1-CE1 4.37Å; L980-F1018 HydrophobicContact CG-CE1 4.5Å; L980-I1019 HydrophobicContact CD1-CD1 4.13Å; L980-I1019 HydrophobicContact CD1-CG1 3.66Å
981K96.7Very high95.5Very high54 Ų5459.4 Ų59.424%0.23531%0.306CS..Hα-helixtrans-62-46.3177.6-174.1175.5178.9175.80112.3V977 Q978 F983 V984 K985 F1018V977-K981 WeakPolarHBondContact O-CB 3.48Å; V977-K981 PolarHBondContact O-N 2.99Å; Q978-K981 PolarHBondContact O-N 3.37Å; Q978-K981 VanDerWaalsContact O-N 3.15Å; K981-F983 VanDerWaalsContact C-N 3.32Å; K981-F983 PolarHBondContact O-N 3.22Å; K981-V984 PolarHBondContact O-N 3.38Å; K981-K985 HydrophobicContact CG-CG 4.42Å; K981-K985 WeakPolarHBondContact O-CB 3.44Å; K981-K985 WeakPolarHBondContact O-CG 3.19Å; K981-K985 PolarHBondContact O-N 3.47Å; K981-F1018 HydrophobicContact CB-CE2 3.56Å; K981-F1018 HydrophobicContact CB-CZ 3.74Å; K981-F1018 HydrophobicContact CD-CE2 4.45Å; K981-F1018 HydrophobicContact CG-CE2 3.93Å; K981-F1018 HydrophobicContact CG-CZ 4.36Å
982D96.2Very high95.8Very high102 Ų10257.9 Ų57.955%0.54529%0.294SS..Hα-helixtrans-61.9-44.1178.1-66.1-19.1000110.5Q978 Q986Q978-D982 VanDerWaalsContact O-CG 3.26Å; Q978-D982 PolarHBondContact O-N 3.39Å; D982-Q986 VanDerWaalsContact O-CB 3.27Å; D982-Q986 WeakPolarHBondContact O-CB 3.22Å; D982-Q986 PolarHBondContact O-N 3.35Å
983F97.8Very high96Very high19 Ų1954.5 Ų54.58%0.08328%0.276CS..Hα-helixtrans-61.4-49.3176.4-175.3-86.5000112.6Q878 F879 M882 I979 L980 K981 Q986 N987 F988Q878-F983 HydrophobicContact CB-CE2 4.5Å; Q878-F983 HydrophobicContact CB-CZ 4.01Å; Q878-F983 VanDerWaalsContact CD-CE2 3.5Å; Q878-F983 HydrophobicContact CG-CE2 3.92Å; Q878-F983 HydrophobicContact CG-CZ 3.92Å; F879-F983 HydrophobicContact CB-CD1 4.33Å; F879-F983 HydrophobicContact CB-CE1 3.81Å; F879-F983 AromaticContact CD2-CD1 3.93Å; F879-F983 HydrophobicContact CD2-CD1 3.93Å; F879-F983 HydrophobicContact CD2-CE1 4.28Å; M882-F983 HydrophobicContact CE-CB 3.89Å; M882-F983 HydrophobicContact CE-CD2 4.16Å; M882-F983 HydrophobicContact CE-CG 4.05Å; M882-F983 HydrophobicContact SD-CB 4.13Å; M882-F983 HydrophobicContact SD-CD1 4.08Å; M882-F983 HydrophobicContact SD-CD2 3.51Å; M882-F983 VanDerWaalsContact SD-CD2 3.51Å; M882-F983 HydrophobicContact SD-CE1 4.43Å; M882-F983 HydrophobicContact SD-CE2 3.89Å; M882-F983 HydrophobicContact SD-CG 3.6Å; M882-F983 HydrophobicContact SD-CZ 4.34Å; I979-F983 PolarHBondContact O-N 3.06Å; L980-F983 PolarHBondContact O-N 3.46Å; K981-F983 VanDerWaalsContact C-N 3.32Å; K981-F983 PolarHBondContact O-N 3.22Å; F983-Q986 PolarHBondContact O-N 3.01Å; F983-N987 HydrophobicContact CE1-CB 4.22Å; F983-N987 HydrophobicContact CZ-CB 4.35Å; F983-N987 WeakPolarHBondContact O-CB 3.31Å; F983-N987 PolarHBondContact O-N 3.23Å; F983-N987 PolarHBondContact O-ND2 3.49Å; F983-F988 HydrophobicContact CE1-CE1 4.41Å
984V97.5Very high96.2Very high1 Ų152.3 Ų52.31%0.00626%0.262CS..Hα-helixtrans-62.4-47.3-178.9168.90000110.4F879 L980 K981 Q986 N987 F988 L994 F1018 T1022F879-V984 HydrophobicContact CD2-CG2 3.86Å; F879-V984 HydrophobicContact CE2-CG2 3.42Å; F879-V984 VanDerWaalsContact CE2-CG2 3.42Å; F879-V984 HydrophobicContact CZ-CG2 4.12Å; L980-V984 WeakPolarHBondContact O-CB 3.46Å; L980-V984 VanDerWaalsContact O-CG2 3.27Å; L980-V984 WeakPolarHBondContact O-CG2 3.35Å; L980-V984 PolarHBondContact O-N 3.41Å; K981-V984 PolarHBondContact O-N 3.38Å; V984-Q986 VanDerWaalsContact C-N 3.26Å; V984-Q986 PolarHBondContact O-N 2.91Å; V984-N987 PolarHBondContact O-N 3.42Å; V984-F988 HydrophobicContact CB-CD1 4.33Å; V984-F988 HydrophobicContact CB-CE1 4.5Å; V984-F988 HydrophobicContact CB-CG 4.47Å; V984-F988 HydrophobicContact CG1-CB 4.17Å; V984-F988 HydrophobicContact CG1-CD1 4.17Å; V984-F988 HydrophobicContact CG1-CD2 3.85Å; V984-F988 HydrophobicContact CG1-CE2 4.22Å; V984-F988 HydrophobicContact CG1-CG 3.81Å; V984-F988 HydrophobicContact CG2-CD1 4.28Å; V984-F988 HydrophobicContact CG2-CE1 3.95Å; V984-F988 HydrophobicContact CG2-CE2 4.37Å; V984-F988 HydrophobicContact CG2-CZ 3.99Å; V984-F988 VanDerWaalsContact O-CB 3.31Å; V984-F988 WeakPolarHBondContact O-CB 3.47Å; V984-F988 PolarHBondContact O-N 3.08Å; V984-L994 HydrophobicContact CG1-CD2 3.79Å; V984-F1018 HydrophobicContact CB-CZ 4.45Å; V984-F1018 HydrophobicContact CG2-CE1 4.28Å; V984-F1018 HydrophobicContact CG2-CZ 4.28Å; V984-T1022 HydrophobicContact CB-CG2 4.5Å; V984-T1022 HydrophobicContact CG1-CG2 4.03Å; V984-T1022 HydrophobicContact CG2-CG2 4.06Å
985K95.2Very high96.3Very high91 Ų9155.1 Ų55.140%0.39628%0.277SS..Hα-helixtrans-64.7-28.7179.7-72.6-62.4-174.9-172.40113.7K981 S991 D995K981-K985 HydrophobicContact CG-CG 4.42Å; K981-K985 WeakPolarHBondContact O-CB 3.44Å; K981-K985 WeakPolarHBondContact O-CG 3.19Å; K981-K985 PolarHBondContact O-N 3.47Å; K985-S991 PolarHBondContact NZ-OG 3.48Å; K985-D995 IonicContact NZ-OD1 2.66Å; K985-D995 PolarHBondContact NZ-OD1 3.45Å; K985-D995 IonicContact NZ-OD2 3.7Å; K985-D995 PolarHBondContact NZ-OD2 2.9Å
986Q96.6Very high96.5Very high157 Ų15750.7 Ų50.773%0.73425%0.254SS*.Hα-helixtrans-80.3-34.6177.4-176.3178.820.500113.1D982 F983 V984D982-Q986 VanDerWaalsContact O-CB 3.27Å; D982-Q986 WeakPolarHBondContact O-CB 3.22Å; D982-Q986 PolarHBondContact O-N 3.35Å; F983-Q986 PolarHBondContact O-N 3.01Å; V984-Q986 VanDerWaalsContact C-N 3.26Å; V984-Q986 PolarHBondContact O-N 2.91Å
987N97Very high96.5Very high60 Ų6048 Ų4832%0.32124%0.244SC..Hα-helixtrans-116.2-23.7-164.4-63.1-83000115.1Y875 F983 V984Y875-N987 HydrophobicContact CG-CB 4.4Å; F983-N987 HydrophobicContact CE1-CB 4.22Å; F983-N987 HydrophobicContact CZ-CB 4.35Å; F983-N987 WeakPolarHBondContact O-CB 3.31Å; F983-N987 PolarHBondContact O-N 3.23Å; F983-N987 PolarHBondContact O-ND2 3.49Å; V984-N987 PolarHBondContact O-N 3.42Å
988F97.6Very high96.6Very high20 Ų2048.5 Ų48.59%0.08825%0.246CC..  trans-78.8138.9-176.6-81.437.5000110.7Y875 F879 F983 V984 S990 T1022 D1025 L1026Y875-F988 AromaticContact CD2-CD1 3.77Å; Y875-F988 HydrophobicContact CD2-CD1 3.77Å; Y875-F988 AromaticContact CD2-CE1 3.85Å; Y875-F988 HydrophobicContact CD2-CE1 3.85Å; Y875-F988 AromaticContact CE2-CD1 3.79Å; Y875-F988 HydrophobicContact CE2-CD1 3.79Å; Y875-F988 AromaticContact CE2-CE1 3.99Å; Y875-F988 HydrophobicContact CE2-CE1 3.99Å; Y875-F988 HydrophobicContact CE2-CG 4.29Å; F879-F988 HydrophobicContact CB-CE1 4.19Å; F879-F988 HydrophobicContact CB-CZ 4.37Å; F879-F988 HydrophobicContact CD1-CE1 4.49Å; F879-F988 AromaticContact CD1-CZ 3.87Å; F879-F988 HydrophobicContact CD1-CZ 3.87Å; F879-F988 HydrophobicContact CD2-CE1 4.19Å; F879-F988 HydrophobicContact CD2-CZ 4.15Å; F879-F988 HydrophobicContact CE1-CZ 4.17Å; F879-F988 HydrophobicContact CE2-CZ 4.46Å; F879-F988 HydrophobicContact CG-CE1 4.02Å; F879-F988 AromaticContact CG-CZ 3.84Å; F879-F988 HydrophobicContact CG-CZ 3.84Å; F879-F988 HydrophobicContact CZ-CZ 4.47Å; F983-F988 HydrophobicContact CE1-CE1 4.41Å; V984-F988 HydrophobicContact CB-CD1 4.33Å; V984-F988 HydrophobicContact CB-CE1 4.5Å; V984-F988 HydrophobicContact CB-CG 4.47Å; V984-F988 HydrophobicContact CG1-CB 4.17Å; V984-F988 HydrophobicContact CG1-CD1 4.17Å; V984-F988 HydrophobicContact CG1-CD2 3.85Å; V984-F988 HydrophobicContact CG1-CE2 4.22Å; V984-F988 HydrophobicContact CG1-CG 3.81Å; V984-F988 HydrophobicContact CG2-CD1 4.28Å; V984-F988 HydrophobicContact CG2-CE1 3.95Å; V984-F988 HydrophobicContact CG2-CE2 4.37Å; V984-F988 HydrophobicContact CG2-CZ 3.99Å; V984-F988 VanDerWaalsContact O-CB 3.31Å; V984-F988 WeakPolarHBondContact O-CB 3.47Å; V984-F988 PolarHBondContact O-N 3.08Å; F988-S990 VanDerWaalsContact C-N 3.28Å; F988-S990 PolarHBondContact O-N 3.21Å; F988-T1022 WeakPolarHBondContact CE2-O 3.45Å; F988-D1025 HydrophobicContact CD2-CB 4.35Å; F988-D1025 HydrophobicContact CE2-CB 4.42Å; F988-L1026 HydrophobicContact CE2-CB 3.67Å; F988-L1026 HydrophobicContact CE2-CG 4.48Å; F988-L1026 HydrophobicContact CZ-CB 3.84Å; F988-L1026 HydrophobicContact CZ-CD1 3.98Å; F988-L1026 HydrophobicContact CZ-CG 4.26Å
989P93.4Very high96.7Very high90 Ų9049.5 Ų49.558%0.58425%0.251SS*.SBendtrans-68.9-29.317826.9-32.7000112.3Y875 T1029Y875-P989 WeakPolarHBondContact OH-CD 3.33Å; P989-T1029 WeakPolarHBondContact CG-O 3.32Å
990S94.6Very high96.7Very high36 Ų3645.1 Ų45.125%0.25223%0.229SC..  trans-153.7146.3176.61760000109.9F988 T1029F988-S990 VanDerWaalsContact C-N 3.28Å; F988-S990 PolarHBondContact O-N 3.21Å; S990-T1029 PolarHBondContact O-OG1 3.3Å
991S95.6Very high96.7Very high12 Ų1246.7 Ų46.78%0.08424%0.236CC..  trans-13841.8-177.670.30000111.5K985 L993 L994 D995 D1025K985-S991 PolarHBondContact NZ-OG 3.48Å; S991-L993 VanDerWaalsContact C-N 3.3Å; S991-L993 PolarHBondContact O-N 3.23Å; S991-L994 WeakPolarHBondContact O-CB 3.28Å; S991-L994 PolarHBondContact O-N 3.11Å; S991-D995 PolarHBondContact O-N 3.46Å; S991-D995 VanDerWaalsContact O-OD2 3.06Å; S991-D995 PolarHBondContact OG-OD2 3.33Å; S991-D1025 VanDerWaalsContact C-OD2 3.24Å; S991-D1025 WeakPolarHBondContact CA-OD2 3.32Å
992Q95.4Very high96.7Very high113 Ų11350 Ų5053%0.52825%0.25SS..Hα-helixtrans-60-38.3-169.7-75.3173.8-7.500112.8F940 D995 Y996 D1025F940-Q992 HydrophobicContact CE2-CB 4.35Å; F940-Q992 HydrophobicContact CZ-CB 3.84Å; Q992-D995 PolarHBondContact O-N 3.29Å; Q992-Y996 PolarHBondContact O-N 2.93Å; Q992-D1025 PolarHBondContact N-OD1 2.84Å
993L97.2Very high96.7Very high0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-74.8-37.1179.4-167.964.5000111.5F936 S937 F940 S991 D995 Y996 A997 V1021 V1024 D1025F936-L993 HydrophobicContact CB-CD1 4.26Å; F936-L993 HydrophobicContact CB-CG 4.5Å; S937-L993 WeakPolarHBondContact OG-CD2 3.26Å; F940-L993 HydrophobicContact CB-CD1 3.37Å; F940-L993 HydrophobicContact CD1-CD1 4.06Å; F940-L993 HydrophobicContact CD2-CD1 4.23Å; F940-L993 HydrophobicContact CG-CD1 3.63Å; S991-L993 VanDerWaalsContact C-N 3.3Å; S991-L993 PolarHBondContact O-N 3.23Å; L993-D995 VanDerWaalsContact C-N 3.33Å; L993-Y996 PolarHBondContact O-N 3.46Å; L993-A997 WeakPolarHBondContact O-CB 3.31Å; L993-A997 PolarHBondContact O-N 3.25Å; L993-V1021 HydrophobicContact CD2-CB 4.1Å; L993-V1021 HydrophobicContact CD2-CG1 4.28Å; L993-V1021 HydrophobicContact CG-CB 4.03Å; L993-V1021 HydrophobicContact CG-CG1 4.23Å; L993-V1024 HydrophobicContact CD2-CB 3.72Å; L993-V1024 HydrophobicContact CD2-CG1 3.5Å; L993-V1024 VanDerWaalsContact CD2-CG1 3.5Å; L993-V1024 HydrophobicContact CD2-CG2 4.28Å; L993-D1025 VanDerWaalsContact CB-OD1 3.29Å; L993-D1025 WeakPolarHBondContact CB-OD1 3.37Å; L993-D1025 PolarHBondContact N-OD1 3.46Å; L993-D1025 PolarHBondContact N-OD2 3.47Å
994L97.8Very high96.6Very high0 Ų046.1 Ų46.10%023%0.23CC..Hα-helixtrans-59.6-43.7169.5173.762.6000111.5V984 S991 Y996 A997 L998 L1013 F1018 V1021 T1022 D1025V984-L994 HydrophobicContact CG1-CD2 3.79Å; S991-L994 WeakPolarHBondContact O-CB 3.28Å; S991-L994 PolarHBondContact O-N 3.11Å; L994-Y996 VanDerWaalsContact C-N 3.34Å; L994-Y996 PolarHBondContact O-N 3.17Å; L994-A997 PolarHBondContact O-N 3.25Å; L994-L998 HydrophobicContact CD1-CD1 4.1Å; L994-L998 HydrophobicContact CD1-CD2 4.48Å; L994-L998 HydrophobicContact CD1-CG 4.01Å; L994-L998 HydrophobicContact CG-CD1 4Å; L994-L998 HydrophobicContact CG-CG 4.35Å; L994-L998 VanDerWaalsContact O-CG 3.28Å; L994-L998 WeakPolarHBondContact O-CG 3.49Å; L994-L998 PolarHBondContact O-N 2.92Å; L994-L1013 HydrophobicContact CD1-CD2 4.24Å; L994-F1018 HydrophobicContact CD1-CD2 3.89Å; L994-F1018 HydrophobicContact CD1-CE2 3.49Å; L994-F1018 VanDerWaalsContact CD1-CE2 3.49Å; L994-F1018 HydrophobicContact CD1-CZ 4.2Å; L994-F1018 HydrophobicContact CD2-CE2 4.1Å; L994-F1018 HydrophobicContact CD2-CZ 4.17Å; L994-F1018 HydrophobicContact CG-CE2 4.46Å; L994-V1021 HydrophobicContact CB-CG2 4.33Å; L994-V1021 HydrophobicContact CD1-CG2 4.06Å; L994-T1022 HydrophobicContact CB-CG2 4.01Å; L994-T1022 HydrophobicContact CD1-CG2 3.96Å; L994-T1022 HydrophobicContact CD2-CG2 3.8Å; L994-T1022 HydrophobicContact CG-CG2 4.12Å; L994-D1025 WeakPolarHBondContact CB-OD2 3.42Å; L994-D1025 PolarHBondContact N-OD2 2.86Å
995D97.3Very high96.5Very high69 Ų6946.8 Ų46.837%0.36923%0.234SC..Hα-helixtrans-61.9-44.1178.3-72-40.2000111.4K985 S991 Q992 L993 A997 L998 E999K985-D995 IonicContact NZ-OD1 2.66Å; K985-D995 PolarHBondContact NZ-OD1 3.45Å; K985-D995 IonicContact NZ-OD2 3.7Å; K985-D995 PolarHBondContact NZ-OD2 2.9Å; S991-D995 PolarHBondContact O-N 3.46Å; S991-D995 VanDerWaalsContact O-OD2 3.06Å; S991-D995 PolarHBondContact OG-OD2 3.33Å; Q992-D995 PolarHBondContact O-N 3.29Å; L993-D995 VanDerWaalsContact C-N 3.33Å; D995-A997 PolarHBondContact O-N 2.99Å; D995-L998 PolarHBondContact O-N 3.18Å; D995-E999 PolarHBondContact O-N 3.07Å
996Y97.9Very high96.5Very high20 Ų2047.1 Ų47.18%0.07825%0.248CC..Hα-helixtrans-58.3-45.3172.1-177.8-92.8000112.3F936 A939 F940 M944 P946 F949 Q992 L993 L994 L998 E999 V1000F936-Y996 HydrophobicContact CD1-CD1 4.08Å; F936-Y996 HydrophobicContact CD1-CE1 4.16Å; A939-Y996 HydrophobicContact CB-CE1 4.13Å; F940-Y996 HydrophobicContact CB-CD1 4.28Å; F940-Y996 HydrophobicContact CB-CG 4.36Å; F940-Y996 HydrophobicContact CD2-CD1 4.45Å; F940-Y996 AromaticContact CD2-CD2 3.78Å; F940-Y996 HydrophobicContact CD2-CD2 3.78Å; F940-Y996 AromaticContact CD2-CG 3.73Å; F940-Y996 HydrophobicContact CD2-CG 3.73Å; M944-Y996 WeakPolarHBondContact O-CE2 3.49Å; M944-Y996 PolarHBondContact O-OH 3.48Å; P946-Y996 HydrophobicContact CB-CE2 4.36Å; P946-Y996 HydrophobicContact CG-CD2 3.78Å; P946-Y996 HydrophobicContact CG-CE2 3.61Å; F949-Y996 VanDerWaalsContact CB-OH 3.22Å; F949-Y996 WeakPolarHBondContact CB-OH 3.22Å; F949-Y996 HydrophobicContact CD1-CE1 4.35Å; Q992-Y996 PolarHBondContact O-N 2.93Å; L993-Y996 PolarHBondContact O-N 3.46Å; L994-Y996 VanDerWaalsContact C-N 3.34Å; L994-Y996 PolarHBondContact O-N 3.17Å; Y996-L998 PolarHBondContact O-N 3.38Å; Y996-E999 PolarHBondContact O-N 3.42Å; Y996-V1000 HydrophobicContact CD1-CG2 4.32Å; Y996-V1000 HydrophobicContact CE1-CG2 3.96Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.48Å; Y996-V1000 PolarHBondContact O-N 2.87Å
997A97.9Very high96.4Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-65.9-35.1178.800000113.1F936 L993 L994 D995 V1000 E1001 L1013 V1021F936-A997 HydrophobicContact CD1-CB 4Å; F936-A997 HydrophobicContact CE1-CB 3.82Å; F936-A997 HydrophobicContact CZ-CB 4.23Å; L993-A997 WeakPolarHBondContact O-CB 3.31Å; L993-A997 PolarHBondContact O-N 3.25Å; L994-A997 PolarHBondContact O-N 3.25Å; D995-A997 PolarHBondContact O-N 2.99Å; A997-V1000 WeakPolarHBondContact O-CB 3.31Å; A997-V1000 PolarHBondContact O-N 3.49Å; A997-E1001 PolarHBondContact O-N 3.15Å; A997-L1013 HydrophobicContact CB-CD2 4.28Å; A997-V1021 HydrophobicContact CB-CB 4.43Å; A997-V1021 HydrophobicContact CB-CG1 4.04Å; A997-V1021 HydrophobicContact CB-CG2 4.07Å
998L97.3Very high96.2Very high20 Ų2047.9 Ų47.911%0.10525%0.246CC..Hα-helixtrans-69.8-33.8174.9-70.1172.8000112.1L994 D995 Y996 E1001 K1002 L1013L994-L998 HydrophobicContact CD1-CD1 4.1Å; L994-L998 HydrophobicContact CD1-CD2 4.48Å; L994-L998 HydrophobicContact CD1-CG 4.01Å; L994-L998 HydrophobicContact CG-CD1 4Å; L994-L998 HydrophobicContact CG-CG 4.35Å; L994-L998 VanDerWaalsContact O-CG 3.28Å; L994-L998 WeakPolarHBondContact O-CG 3.49Å; L994-L998 PolarHBondContact O-N 2.92Å; D995-L998 PolarHBondContact O-N 3.18Å; Y996-L998 PolarHBondContact O-N 3.38Å; L998-E1001 VanDerWaalsContact CD2-OE2 3.31Å; L998-E1001 WeakPolarHBondContact CD2-OE2 3.47Å; L998-E1001 WeakPolarHBondContact O-CB 3.3Å; L998-E1001 PolarHBondContact O-N 3.21Å; L998-K1002 WeakPolarHBondContact O-CG 3.42Å; L998-K1002 PolarHBondContact O-N 2.75Å; L998-L1013 HydrophobicContact CD2-CD2 4.36Å
999E97.6Very high96Very high84 Ų8450.4 Ų50.439%0.39326%0.264SS..Hα-helixtrans-66.9-39.6170.4-69.8-54.6134.300111.7P946 D995 Y996 E1001 K1002 I1003P946-E999 HydrophobicContact CB-CB 4.03Å; P946-E999 HydrophobicContact CG-CB 3.76Å; D995-E999 PolarHBondContact O-N 3.07Å; Y996-E999 PolarHBondContact O-N 3.42Å; E999-E1001 VanDerWaalsContact C-N 3.32Å; E999-E1001 PolarHBondContact O-N 3.5Å; E999-K1002 PolarHBondContact O-N 3.21Å; E999-K1002 WeakPolarHBondContact OE1-CE 3.44Å; E999-K1002 IonicContact OE1-NZ 3.12Å; E999-K1002 PolarHBondContact OE1-NZ 3.32Å; E999-K1002 IonicContact OE2-NZ 3Å; E999-I1003 WeakPolarHBondContact O-CG1 3.48Å; E999-I1003 PolarHBondContact O-N 3.35Å
1000V97.4Very high96Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-59.9-43.3171172.20000110.8F936 P946 F949 V950 I960 Y996 A997 K1002 I1003 T1004F936-V1000 HydrophobicContact CE1-CB 3.99Å; F936-V1000 HydrophobicContact CE1-CG1 3.98Å; F936-V1000 HydrophobicContact CE1-CG2 4.04Å; F936-V1000 HydrophobicContact CZ-CG1 4.25Å; P946-V1000 HydrophobicContact CB-CG2 3.78Å; F949-V1000 HydrophobicContact CD1-CG1 4.32Å; F949-V1000 HydrophobicContact CD1-CG2 3.84Å; F949-V1000 HydrophobicContact CE1-CG1 4.32Å; F949-V1000 HydrophobicContact CE1-CG2 4.38Å; V950-V1000 HydrophobicContact CG2-CG1 3.84Å; I960-V1000 HydrophobicContact CD1-CG1 4.02Å; Y996-V1000 HydrophobicContact CD1-CG2 4.32Å; Y996-V1000 HydrophobicContact CE1-CG2 3.96Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.48Å; Y996-V1000 PolarHBondContact O-N 2.87Å; A997-V1000 WeakPolarHBondContact O-CB 3.31Å; A997-V1000 PolarHBondContact O-N 3.49Å; V1000-K1002 PolarHBondContact O-N 2.76Å; V1000-I1003 WeakPolarHBondContact O-CB 3.34Å; V1000-I1003 PolarHBondContact O-N 3.41Å; V1000-T1004 HydrophobicContact CG1-CG2 4.36Å; V1000-T1004 WeakPolarHBondContact O-CG2 3.23Å; V1000-T1004 PolarHBondContact O-N 3.3Å; V1000-T1004 PolarHBondContact O-OG1 3.39Å
1001E97.6Very high96Very high33 Ų3349.6 Ų49.615%0.15425%0.252CS..Hα-helixtrans-58.6-44.2175.3177.1-178.4-136.400112.3A997 L998 E999 I1003 T1004 T1005 I1012 L1013A997-E1001 PolarHBondContact O-N 3.15Å; L998-E1001 VanDerWaalsContact CD2-OE2 3.31Å; L998-E1001 WeakPolarHBondContact CD2-OE2 3.47Å; L998-E1001 WeakPolarHBondContact O-CB 3.3Å; L998-E1001 PolarHBondContact O-N 3.21Å; E999-E1001 VanDerWaalsContact C-N 3.32Å; E999-E1001 PolarHBondContact O-N 3.5Å; E1001-I1003 VanDerWaalsContact C-N 3.25Å; E1001-I1003 PolarHBondContact O-N 2.79Å; E1001-T1004 WeakPolarHBondContact CA-OG1 3.21Å; E1001-T1004 PolarHBondContact O-N 2.82Å; E1001-T1004 PolarHBondContact O-OG1 3.01Å; E1001-T1004 VanDerWaalsContact O-OG1 3.13Å; E1001-T1005 HydrophobicContact CG-CG2 3.87Å; E1001-T1005 WeakPolarHBondContact O-CB 3.47Å; E1001-T1005 WeakPolarHBondContact O-CG2 3.33Å; E1001-T1005 PolarHBondContact O-N 3.37Å; E1001-T1005 PolarHBondContact O-OG1 3.15Å; E1001-I1012 VanDerWaalsContact OE1-CA 3.32Å; E1001-I1012 WeakPolarHBondContact OE1-CA 3.34Å; E1001-I1012 WeakPolarHBondContact OE1-CB 3.48Å; E1001-L1013 HydrophobicContact CB-CB 4.44Å; E1001-L1013 HydrophobicContact CG-CB 4.47Å; E1001-L1013 PolarHBondContact OE1-N 2.63Å
1002K96.8Very high96.1Very high124 Ų12449.3 Ų49.354%0.53925%0.25SC..Hα-helixtrans-57-42.2176.5-73.3173.1-176.6173.80111.4L998 E999 V1000 T1005 S1006L998-K1002 WeakPolarHBondContact O-CG 3.42Å; L998-K1002 PolarHBondContact O-N 2.75Å; E999-K1002 PolarHBondContact O-N 3.21Å; E999-K1002 WeakPolarHBondContact OE1-CE 3.44Å; E999-K1002 IonicContact OE1-NZ 3.12Å; E999-K1002 PolarHBondContact OE1-NZ 3.32Å; E999-K1002 IonicContact OE2-NZ 3Å; V1000-K1002 PolarHBondContact O-N 2.76Å; K1002-T1005 PolarHBondContact O-OG1 3.1Å; K1002-S1006 PolarHBondContact O-N 3.06Å
1003I96.3Very high96.2Very high32 Ų3244 Ų4416%0.16423%0.225CC..Hα-helixtrans-67.9-44.4178.4-62.3164.7000110.7P946 M947 V950 E999 V1000 E1001 S1006P946-I1003 HydrophobicContact CB-CD1 3.77Å; M947-I1003 HydrophobicContact CB-CD1 3.95Å; M947-I1003 HydrophobicContact SD-CD1 4.11Å; M947-I1003 HydrophobicContact SD-CG1 4.38Å; M947-I1003 HydrophobicContact SD-CG2 3.56Å; M947-I1003 VanDerWaalsContact SD-CG2 3.56Å; V950-I1003 HydrophobicContact CB-CG2 4.26Å; V950-I1003 HydrophobicContact CG1-CG2 4.03Å; V950-I1003 HydrophobicContact CG2-CB 4.38Å; V950-I1003 HydrophobicContact CG2-CG2 4.04Å; E999-I1003 WeakPolarHBondContact O-CG1 3.48Å; E999-I1003 PolarHBondContact O-N 3.35Å; V1000-I1003 WeakPolarHBondContact O-CB 3.34Å; V1000-I1003 PolarHBondContact O-N 3.41Å; E1001-I1003 VanDerWaalsContact C-N 3.25Å; E1001-I1003 PolarHBondContact O-N 2.79Å; I1003-S1006 PolarHBondContact O-OG 3.26Å
1004T95.3Very high96.1Very high7 Ų745.1 Ų45.14%0.04323%0.231CC..Hα-helixtrans-73.2-37.9-177.4550000112.7V950 I960 I963 V1000 E1001 S1006 K1007 K1008 L1011V950-T1004 HydrophobicContact CG2-CG2 4.21Å; I960-T1004 HydrophobicContact CD1-CG2 4.09Å; I963-T1004 HydrophobicContact CG2-CG2 4.14Å; V1000-T1004 HydrophobicContact CG1-CG2 4.36Å; V1000-T1004 WeakPolarHBondContact O-CG2 3.23Å; V1000-T1004 PolarHBondContact O-N 3.3Å; V1000-T1004 PolarHBondContact O-OG1 3.39Å; E1001-T1004 WeakPolarHBondContact CA-OG1 3.21Å; E1001-T1004 PolarHBondContact O-N 2.82Å; E1001-T1004 PolarHBondContact O-OG1 3.01Å; E1001-T1004 VanDerWaalsContact O-OG1 3.13Å; T1004-S1006 VanDerWaalsContact C-N 3.31Å; T1004-S1006 PolarHBondContact O-N 2.95Å; T1004-K1007 WeakPolarHBondContact O-CB 3.31Å; T1004-K1007 PolarHBondContact O-N 3.31Å; T1004-K1008 PolarHBondContact O-N 2.92Å; T1004-K1008 VanDerWaalsContact O-N 3.11Å; T1004-L1011 PolarHBondContact OG1-O 3.4Å
1005T95.3Very high96Very high15 Ų1545.5 Ų45.59%0.09223%0.233CC..Hα-helixtrans-67.6-30.1176.952.30000112.9I970 E1001 K1002 K1007 K1008 L1011 I1012I970-T1005 HydrophobicContact CB-CG2 4.41Å; I970-T1005 HydrophobicContact CD1-CG2 4.46Å; E1001-T1005 HydrophobicContact CG-CG2 3.87Å; E1001-T1005 WeakPolarHBondContact O-CB 3.47Å; E1001-T1005 WeakPolarHBondContact O-CG2 3.33Å; E1001-T1005 PolarHBondContact O-N 3.37Å; E1001-T1005 PolarHBondContact O-OG1 3.15Å; K1002-T1005 PolarHBondContact O-OG1 3.1Å; T1005-K1007 PolarHBondContact O-N 3.4Å; T1005-K1008 WeakPolarHBondContact CA-O 3.4Å; T1005-K1008 CarbonylContact O-C 3.6Å; T1005-K1008 VanDerWaalsContact O-C 3.23Å; T1005-K1008 PolarHBondContact O-N 3.39Å; T1005-L1011 WeakPolarHBondContact CG2-O 3.23Å; T1005-I1012 HydrophobicContact CG2-CG2 3.79Å
1006S95.1Very high96Very high98 Ų9844.2 Ų44.269%0.68523%0.226SC*.Hα-helixtrans-62.5-24.6169.979.30000113.2K1002 I1003 T1004K1002-S1006 PolarHBondContact O-N 3.06Å; I1003-S1006 PolarHBondContact O-OG 3.26Å; T1004-S1006 VanDerWaalsContact C-N 3.31Å; T1004-S1006 PolarHBondContact O-N 2.95Å
1007K93.9Very high95.9Very high104 Ų10443.3 Ų43.345%0.45222%0.223SC..Hα-helixtrans-84.6-46.4175.6-61.7176.9179.6175.60111.8T1004 T1005T1004-K1007 WeakPolarHBondContact O-CB 3.31Å; T1004-K1007 PolarHBondContact O-N 3.31Å; T1005-K1007 PolarHBondContact O-N 3.4Å
1008K94Very high95.9Very high129 Ų12943.3 Ų43.356%0.56122%0.223SC*.  trans-146.4129.7173.6-75.8-172179.5-178.20109.9T1004 T1005 N1010 L1011T1004-K1008 PolarHBondContact O-N 2.92Å; T1004-K1008 VanDerWaalsContact O-N 3.11Å; T1005-K1008 WeakPolarHBondContact CA-O 3.4Å; T1005-K1008 CarbonylContact O-C 3.6Å; T1005-K1008 VanDerWaalsContact O-C 3.23Å; T1005-K1008 PolarHBondContact O-N 3.39Å; K1008-N1010 PolarHBondContact O-N 3.42Å; K1008-L1011 HydrophobicContact CB-CD1 3.84Å; K1008-L1011 HydrophobicContact CB-CG 3.86Å; K1008-L1011 HydrophobicContact CG-CD1 4.47Å; K1008-L1011 WeakPolarHBondContact O-CB 3.37Å; K1008-L1011 PolarHBondContact O-N 3.1Å
1009P92.5Very high95.9Very high72 Ų7242.4 Ų42.447%0.46822%0.218SC..THydrogen-bonded Turntrans-58.2-22.8-174.9-27.734.5000115.8S969 I970S969-P1009 CarbonylContact C-O 3.6Å; S969-P1009 WeakPolarHBondContact CA-O 3.09Å; S969-P1009 VanDerWaalsContact CB-O 3.27Å; S969-P1009 WeakPolarHBondContact CB-O 3.34Å; I970-P1009 HydrophobicContact CG2-CB 4.32Å; I970-P1009 PolarHBondContact N-O 3Å
1010N92.7Very high95.9Very high58 Ų5838.4 Ų38.431%0.3120%0.199SC..THydrogen-bonded Turntrans-91.30.8-179.573.4-49.3000114.1G964 H965 K968 K1008 I1012G964-N1010 WeakPolarHBondContact CA-O 3.24Å; H965-N1010 PolarHBondContact N-O 3.35Å; H965-N1010 PolarHBondContact O-ND2 3.41Å; K968-N1010 WeakPolarHBondContact O-CB 3.29Å; K1008-N1010 PolarHBondContact O-N 3.42Å; N1010-I1012 PolarHBondContact O-N 2.95Å; N1010-I1012 VanDerWaalsContact O-N 3.08Å
1011L96.1Very high95.9Very high52 Ų5238.4 Ų38.427%0.27220%0.199SC..  trans-84.551.9173.4-62.8178.5000111.8I963 T1004 T1005 K1008I963-L1011 HydrophobicContact CG2-CB 4.01Å; T1004-L1011 PolarHBondContact OG1-O 3.4Å; T1005-L1011 WeakPolarHBondContact CG2-O 3.23Å; K1008-L1011 HydrophobicContact CB-CD1 3.84Å; K1008-L1011 HydrophobicContact CB-CG 3.86Å; K1008-L1011 HydrophobicContact CG-CD1 4.47Å; K1008-L1011 WeakPolarHBondContact O-CB 3.37Å; K1008-L1011 PolarHBondContact O-N 3.1Å
1012I96.5Very high95.9Very high6 Ų636.9 Ų36.93%0.03119%0.192CC..  trans-81.2160.917660.5170.2000111.6G964 H965 K968 I970 E1001 T1005 N1010 N1014G964-I1012 PolarHBondContact N-O 2.78Å; H965-I1012 HydrophobicContact CB-CD1 4.08Å; H965-I1012 HydrophobicContact CB-CG1 3.96Å; K968-I1012 HydrophobicContact CB-CD1 3.76Å; I970-I1012 HydrophobicContact CB-CG2 4.39Å; E1001-I1012 VanDerWaalsContact OE1-CA 3.32Å; E1001-I1012 WeakPolarHBondContact OE1-CA 3.34Å; E1001-I1012 WeakPolarHBondContact OE1-CB 3.48Å; T1005-I1012 HydrophobicContact CG2-CG2 3.79Å; N1010-I1012 PolarHBondContact O-N 2.95Å; N1010-I1012 VanDerWaalsContact O-N 3.08Å; I1012-N1014 PolarHBondContact O-N 3.21Å
1013L97.3Very high96Very high2 Ų231 Ų311%0.0117%0.166CC..BIsolated β-bridgetrans-68.1115.5168.4-173.666.6000108.9F936 I963 L994 A997 L998 E1001 F1018F936-L1013 HydrophobicContact CE2-CD1 4.49Å; I963-L1013 HydrophobicContact CD1-CB 4.27Å; I963-L1013 HydrophobicContact CD1-CD1 3.94Å; L994-L1013 HydrophobicContact CD1-CD2 4.24Å; A997-L1013 HydrophobicContact CB-CD2 4.28Å; L998-L1013 HydrophobicContact CD2-CD2 4.36Å; E1001-L1013 HydrophobicContact CB-CB 4.44Å; E1001-L1013 HydrophobicContact CG-CB 4.47Å; E1001-L1013 PolarHBondContact OE1-N 2.63Å; L1013-F1018 HydrophobicContact CD2-CB 4.26Å; L1013-F1018 HydrophobicContact CD2-CD2 3.98Å; L1013-F1018 HydrophobicContact CG-CB 4.31Å
1014N95.9Very high96Very high23 Ų2329.4 Ų29.412%0.12316%0.159CC..  trans-82.7172.1-179.569.531.3000111.4G962 G964 I1012 D1016 G1017 F1018G962-N1014 WeakPolarHBondContact CA-OD1 3.46Å; G962-N1014 PolarHBondContact O-N 3.34Å; G962-N1014 PolarHBondContact O-ND2 2.95Å; G962-N1014 PolarHBondContact O-OD1 3.46Å; G964-N1014 PolarHBondContact O-ND2 3.17Å; I1012-N1014 PolarHBondContact O-N 3.21Å; N1014-D1016 VanDerWaalsContact C-N 3.28Å; N1014-D1016 PolarHBondContact O-N 2.99Å; N1014-D1016 WeakPolarHBondContact OD1-CB 3.47Å; N1014-D1016 PolarHBondContact OD1-N 3.37Å; N1014-D1016 VanDerWaalsContact OD1-N 3.17Å; N1014-G1017 PolarHBondContact O-N 3.43Å; N1014-G1017 PolarHBondContact OD1-N 2.94Å; N1014-F1018 VanDerWaalsContact O-CB 3.32Å; N1014-F1018 WeakPolarHBondContact O-CB 3.4Å; N1014-F1018 PolarHBondContact O-N 2.86Å
1015V96.1Very high96.2Very high8 Ų829.3 Ų29.35%0.04816%0.158CC..Hα-helixtrans-61.7-35.2-176.771.50000112.8V886 R976 V977 L980 F1018 I1019V886-V1015 HydrophobicContact CG2-CG2 4.28Å; R976-V1015 HydrophobicContact CB-CB 4.45Å; R976-V1015 HydrophobicContact CB-CG2 3.9Å; V977-V1015 HydrophobicContact CG2-CB 4.04Å; L980-V1015 HydrophobicContact CD1-CG2 4.31Å; V1015-F1018 PolarHBondContact O-N 2.83Å; V1015-I1019 HydrophobicContact CG2-CD1 3.96Å; V1015-I1019 HydrophobicContact CG2-CG1 4.37Å; V1015-I1019 WeakPolarHBondContact O-CB 3.3Å; V1015-I1019 VanDerWaalsContact O-CG1 3.3Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; V1015-I1019 PolarHBondContact O-N 2.91Å
1016D95.7Very high96.3Very high42 Ų4228.6 Ų28.623%0.22515%0.153CC..Hα-helixtrans-66.7-45.9178.3-51.2-88.3000111A928 L929 N1014 G1020A928-D1016 HydrophobicContact CB-CB 3.73Å; L929-D1016 HydrophobicContact CD1-CB 3.83Å; L929-D1016 WeakPolarHBondContact CD1-OD1 3.35Å; L929-D1016 HydrophobicContact CG-CB 4.28Å; N1014-D1016 VanDerWaalsContact C-N 3.28Å; N1014-D1016 PolarHBondContact O-N 2.99Å; N1014-D1016 WeakPolarHBondContact OD1-CB 3.47Å; N1014-D1016 PolarHBondContact OD1-N 3.37Å; N1014-D1016 VanDerWaalsContact OD1-N 3.17Å; D1016-G1020 PolarHBondContact O-N 3.31Å
1017G96Very high96.3Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-64.2-41.8174.900000112.7N1014 G1020 V1021N1014-G1017 PolarHBondContact O-N 3.43Å; N1014-G1017 PolarHBondContact OD1-N 2.94Å; G1017-G1020 PolarHBondContact O-N 2.87Å; G1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; G1017-V1021 PolarHBondContact O-N 2.9Å
1018F98Very high96.5Very high1 Ų121 Ų210%0.00411%0.107CC..Hα-helixtrans-62.5-53.1177.7-174-81.1000111.5V977 L980 K981 V984 L994 L1013 N1014 V1015 G1020 T1022V977-F1018 HydrophobicContact CG1-CB 4.27Å; V977-F1018 HydrophobicContact CG1-CD2 3.74Å; V977-F1018 HydrophobicContact CG1-CE2 4.47Å; V977-F1018 HydrophobicContact CG1-CG 4.07Å; V977-F1018 HydrophobicContact CG2-CB 4.36Å; L980-F1018 HydrophobicContact CB-CD1 3.73Å; L980-F1018 HydrophobicContact CB-CE1 3.34Å; L980-F1018 HydrophobicContact CB-CZ 4.18Å; L980-F1018 HydrophobicContact CD1-CD1 4Å; L980-F1018 HydrophobicContact CD1-CE1 4.37Å; L980-F1018 HydrophobicContact CG-CE1 4.5Å; K981-F1018 HydrophobicContact CB-CE2 3.56Å; K981-F1018 HydrophobicContact CB-CZ 3.74Å; K981-F1018 HydrophobicContact CD-CE2 4.45Å; K981-F1018 HydrophobicContact CG-CE2 3.93Å; K981-F1018 HydrophobicContact CG-CZ 4.36Å; V984-F1018 HydrophobicContact CB-CZ 4.45Å; V984-F1018 HydrophobicContact CG2-CE1 4.28Å; V984-F1018 HydrophobicContact CG2-CZ 4.28Å; L994-F1018 HydrophobicContact CD1-CD2 3.89Å; L994-F1018 HydrophobicContact CD1-CE2 3.49Å; L994-F1018 VanDerWaalsContact CD1-CE2 3.49Å; L994-F1018 HydrophobicContact CD1-CZ 4.2Å; L994-F1018 HydrophobicContact CD2-CE2 4.1Å; L994-F1018 HydrophobicContact CD2-CZ 4.17Å; L994-F1018 HydrophobicContact CG-CE2 4.46Å; L1013-F1018 HydrophobicContact CD2-CB 4.26Å; L1013-F1018 HydrophobicContact CD2-CD2 3.98Å; L1013-F1018 HydrophobicContact CG-CB 4.31Å; N1014-F1018 VanDerWaalsContact O-CB 3.32Å; N1014-F1018 WeakPolarHBondContact O-CB 3.4Å; N1014-F1018 PolarHBondContact O-N 2.86Å; V1015-F1018 PolarHBondContact O-N 2.83Å; F1018-G1020 VanDerWaalsContact C-N 3.27Å; F1018-G1020 PolarHBondContact O-N 3.34Å; F1018-T1022 HydrophobicContact CD1-CG2 4.22Å; F1018-T1022 HydrophobicContact CE1-CG2 3.6Å; F1018-T1022 HydrophobicContact CE2-CG2 4.18Å; F1018-T1022 HydrophobicContact CZ-CG2 3.56Å; F1018-T1022 WeakPolarHBondContact O-CB 3.33Å; F1018-T1022 WeakPolarHBondContact O-CG2 3.45Å; F1018-T1022 PolarHBondContact O-N 3.49Å; F1018-T1022 VanDerWaalsContact O-N 3.07Å; F1018-T1022 PolarHBondContact O-OG1 3.42Å
1019I97.8Very high96.5Very high1 Ų116.4 Ų16.41%0.0059%0.09CC..Hα-helixtrans-59.4-43.4176.5-67169.7000109.5C883 V886 T887 L929 L980 V1015 V1021 T1022 F1023C883-I1019 HydrophobicContact CB-CG2 4.46Å; V886-I1019 HydrophobicContact CG2-CD1 3.81Å; T887-I1019 HydrophobicContact CG2-CD1 3.86Å; L929-I1019 HydrophobicContact CD2-CB 4.19Å; L929-I1019 HydrophobicContact CD2-CD1 4.41Å; L929-I1019 HydrophobicContact CD2-CG2 3.7Å; L929-I1019 HydrophobicContact CG-CB 4.49Å; L929-I1019 HydrophobicContact CG-CG2 4.42Å; L980-I1019 HydrophobicContact CD1-CD1 4.13Å; L980-I1019 HydrophobicContact CD1-CG1 3.66Å; V1015-I1019 HydrophobicContact CG2-CD1 3.96Å; V1015-I1019 HydrophobicContact CG2-CG1 4.37Å; V1015-I1019 WeakPolarHBondContact O-CB 3.3Å; V1015-I1019 VanDerWaalsContact O-CG1 3.3Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; V1015-I1019 PolarHBondContact O-N 2.91Å; I1019-V1021 PolarHBondContact O-N 2.87Å; I1019-T1022 PolarHBondContact O-N 3.18Å; I1019-T1022 PolarHBondContact O-OG1 2.94Å; I1019-F1023 WeakPolarHBondContact O-CB 3.27Å; I1019-F1023 PolarHBondContact O-N 2.97Å
1020G97.1Very high96.6Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-52.8-57179.200000113.4D1016 G1017 F1018 V1024D1016-G1020 PolarHBondContact O-N 3.31Å; G1017-G1020 PolarHBondContact O-N 2.87Å; F1018-G1020 VanDerWaalsContact C-N 3.27Å; F1018-G1020 PolarHBondContact O-N 3.34Å; G1020-V1024 WeakPolarHBondContact O-CG2 3.42Å; G1020-V1024 PolarHBondContact O-N 3.09Å
1021V97.8Very high96.5Very high0 Ų014.5 Ų14.50%09%0.094CC..Hα-helixtrans-71.3-34.7-177.1-59.60000113F936 L993 L994 A997 G1017 I1019 V1024 D1025F936-V1021 HydrophobicContact CB-CG1 3.64Å; F936-V1021 HydrophobicContact CD1-CG1 4.5Å; F936-V1021 HydrophobicContact CD2-CG1 3.71Å; F936-V1021 HydrophobicContact CE2-CG1 4.48Å; F936-V1021 HydrophobicContact CG-CG1 3.71Å; L993-V1021 HydrophobicContact CD2-CB 4.1Å; L993-V1021 HydrophobicContact CD2-CG1 4.28Å; L993-V1021 HydrophobicContact CG-CB 4.03Å; L993-V1021 HydrophobicContact CG-CG1 4.23Å; L994-V1021 HydrophobicContact CB-CG2 4.33Å; L994-V1021 HydrophobicContact CD1-CG2 4.06Å; A997-V1021 HydrophobicContact CB-CB 4.43Å; A997-V1021 HydrophobicContact CB-CG1 4.04Å; A997-V1021 HydrophobicContact CB-CG2 4.07Å; G1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; G1017-V1021 PolarHBondContact O-N 2.9Å; I1019-V1021 PolarHBondContact O-N 2.87Å; V1021-V1024 PolarHBondContact O-N 3.07Å; V1021-D1025 PolarHBondContact O-N 3.2Å
1022T97.9Very high96.2Very high0 Ų013.1 Ų13.10%09%0.093CC..Hα-helixtrans-78.1-28.6-179.552.20000113.1F879 V984 F988 L994 F1018 I1019 V1024 D1025 L1026F879-T1022 VanDerWaalsContact CZ-OG1 3.26Å; F879-T1022 WeakPolarHBondContact CZ-OG1 3.44Å; V984-T1022 HydrophobicContact CB-CG2 4.5Å; V984-T1022 HydrophobicContact CG1-CG2 4.03Å; V984-T1022 HydrophobicContact CG2-CG2 4.06Å; F988-T1022 WeakPolarHBondContact CE2-O 3.45Å; L994-T1022 HydrophobicContact CB-CG2 4.01Å; L994-T1022 HydrophobicContact CD1-CG2 3.96Å; L994-T1022 HydrophobicContact CD2-CG2 3.8Å; L994-T1022 HydrophobicContact CG-CG2 4.12Å; F1018-T1022 HydrophobicContact CD1-CG2 4.22Å; F1018-T1022 HydrophobicContact CE1-CG2 3.6Å; F1018-T1022 HydrophobicContact CE2-CG2 4.18Å; F1018-T1022 HydrophobicContact CZ-CG2 3.56Å; F1018-T1022 WeakPolarHBondContact O-CB 3.33Å; F1018-T1022 WeakPolarHBondContact O-CG2 3.45Å; F1018-T1022 PolarHBondContact O-N 3.49Å; F1018-T1022 VanDerWaalsContact O-N 3.07Å; F1018-T1022 PolarHBondContact O-OG1 3.42Å; I1019-T1022 PolarHBondContact O-N 3.18Å; I1019-T1022 PolarHBondContact O-OG1 2.94Å; T1022-V1024 VanDerWaalsContact C-N 3.33Å; T1022-D1025 PolarHBondContact O-N 3.25Å; T1022-L1026 WeakPolarHBondContact O-CB 3.49Å; T1022-L1026 PolarHBondContact O-N 2.91Å
1023F97.9Very high96.2Very high0 Ų013.8 Ų13.80%010%0.096CC..Hα-helixtrans-68.5-36.2171.1-152.7-82.2000111.1F868 F879 I880 I1019 L1026 L1027 L1047 I1050F868-F1023 HydrophobicContact CE2-CZ 4.33Å; F868-F1023 HydrophobicContact CZ-CE1 4.03Å; F868-F1023 HydrophobicContact CZ-CZ 4.04Å; F879-F1023 HydrophobicContact CE1-CD2 4.2Å; I880-F1023 HydrophobicContact CG1-CE2 3.94Å; I880-F1023 HydrophobicContact CG1-CZ 4.29Å; I1019-F1023 WeakPolarHBondContact O-CB 3.27Å; I1019-F1023 PolarHBondContact O-N 2.97Å; F1023-L1026 WeakPolarHBondContact O-CB 3.43Å; F1023-L1026 PolarHBondContact O-N 3.36Å; F1023-L1027 HydrophobicContact CD1-CD1 3.96Å; F1023-L1027 HydrophobicContact CD1-CG 4.09Å; F1023-L1027 HydrophobicContact CE1-CD1 4.08Å; F1023-L1027 HydrophobicContact CE1-CD2 4.27Å; F1023-L1027 HydrophobicContact CE1-CG 4.15Å; F1023-L1027 WeakPolarHBondContact O-CG 3.47Å; F1023-L1027 PolarHBondContact O-N 3.29Å; F1023-L1047 HydrophobicContact CB-CD1 4.37Å; F1023-L1047 HydrophobicContact CB-CD2 4.34Å; F1023-L1047 HydrophobicContact CB-CG 4.27Å; F1023-L1047 HydrophobicContact CD1-CD1 3.6Å; F1023-L1047 HydrophobicContact CD1-CG 4.17Å; F1023-L1047 HydrophobicContact CE1-CD1 4.21Å; F1023-L1047 HydrophobicContact CG-CD1 4.18Å; F1023-L1047 HydrophobicContact CG-CG 4.27Å; F1023-I1050 HydrophobicContact CD2-CG1 4.44Å; F1023-I1050 HydrophobicContact CE2-CD1 3.78Å; F1023-I1050 HydrophobicContact CE2-CG1 3.73Å; F1023-I1050 HydrophobicContact CZ-CD1 3.96Å; F1023-I1050 HydrophobicContact CZ-CG1 3.91Å
1024V97.7Very high96.2Very high0 Ų017.5 Ų17.50%012%0.118CC..Hα-helixtrans-63.8-45.8170.7172.90000111.2A933 L993 G1020 V1021 T1022 L1026 L1027 R1028 V1042A933-V1024 HydrophobicContact CB-CG2 3.76Å; L993-V1024 HydrophobicContact CD2-CB 3.72Å; L993-V1024 HydrophobicContact CD2-CG1 3.5Å; L993-V1024 VanDerWaalsContact CD2-CG1 3.5Å; L993-V1024 HydrophobicContact CD2-CG2 4.28Å; G1020-V1024 WeakPolarHBondContact O-CG2 3.42Å; G1020-V1024 PolarHBondContact O-N 3.09Å; V1021-V1024 PolarHBondContact O-N 3.07Å; T1022-V1024 VanDerWaalsContact C-N 3.33Å; V1024-L1026 VanDerWaalsContact C-N 3.29Å; V1024-L1026 PolarHBondContact O-N 3.06Å; V1024-L1027 PolarHBondContact O-N 2.63Å; V1024-R1028 HydrophobicContact CG1-CG 4.25Å; V1024-R1028 VanDerWaalsContact CG1-CZ 3.49Å; V1024-R1028 WeakPolarHBondContact O-CB 3.37Å; V1024-R1028 VanDerWaalsContact O-CG 3.31Å; V1024-R1028 WeakPolarHBondContact O-CG 3.35Å; V1024-R1028 PolarHBondContact O-N 3.24Å; V1024-V1042 HydrophobicContact CG2-CG1 4.48Å; V1024-V1042 HydrophobicContact CG2-CG2 3.88Å
1025D97.8Very high96.1Very high4 Ų421.1 Ų21.12%0.02113%0.131CC..Hα-helixtrans-58.8-41174.2-79.9-35.6000111.4F988 S991 Q992 L993 L994 V1021 T1022 R1028 T1029F988-D1025 HydrophobicContact CD2-CB 4.35Å; F988-D1025 HydrophobicContact CE2-CB 4.42Å; S991-D1025 VanDerWaalsContact C-OD2 3.24Å; S991-D1025 WeakPolarHBondContact CA-OD2 3.32Å; Q992-D1025 PolarHBondContact N-OD1 2.84Å; L993-D1025 VanDerWaalsContact CB-OD1 3.29Å; L993-D1025 WeakPolarHBondContact CB-OD1 3.37Å; L993-D1025 PolarHBondContact N-OD1 3.46Å; L993-D1025 PolarHBondContact N-OD2 3.47Å; L994-D1025 WeakPolarHBondContact CB-OD2 3.42Å; L994-D1025 PolarHBondContact N-OD2 2.86Å; V1021-D1025 PolarHBondContact O-N 3.2Å; T1022-D1025 PolarHBondContact O-N 3.25Å; D1025-R1028 PolarHBondContact O-N 3.32Å; D1025-T1029 VanDerWaalsContact O-CB 3.29Å; D1025-T1029 WeakPolarHBondContact O-CB 3.43Å; D1025-T1029 WeakPolarHBondContact O-CG2 3.26Å; D1025-T1029 PolarHBondContact O-N 3.15Å; D1025-T1029 PolarHBondContact O-OG1 3.19Å
1026L97.6Very high96.1Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-57.9-54.6175.6-177.9156.9000110.7A876 F879 F988 T1022 F1023 V1024 R1028 T1029 C1030A876-L1026 HydrophobicContact CB-CD1 3.77Å; A876-L1026 HydrophobicContact CB-CD2 4.22Å; A876-L1026 HydrophobicContact CB-CG 3.99Å; F879-L1026 HydrophobicContact CB-CD1 4.21Å; F879-L1026 HydrophobicContact CD1-CD1 3.47Å; F879-L1026 VanDerWaalsContact CD1-CD1 3.47Å; F879-L1026 HydrophobicContact CE1-CD1 4.27Å; F879-L1026 HydrophobicContact CG-CD1 4.22Å; F988-L1026 HydrophobicContact CE2-CB 3.67Å; F988-L1026 HydrophobicContact CE2-CG 4.48Å; F988-L1026 HydrophobicContact CZ-CB 3.84Å; F988-L1026 HydrophobicContact CZ-CD1 3.98Å; F988-L1026 HydrophobicContact CZ-CG 4.26Å; T1022-L1026 WeakPolarHBondContact O-CB 3.49Å; T1022-L1026 PolarHBondContact O-N 2.91Å; F1023-L1026 WeakPolarHBondContact O-CB 3.43Å; F1023-L1026 PolarHBondContact O-N 3.36Å; V1024-L1026 VanDerWaalsContact C-N 3.29Å; V1024-L1026 PolarHBondContact O-N 3.06Å; L1026-R1028 VanDerWaalsContact C-N 3.32Å; L1026-R1028 PolarHBondContact O-N 3.29Å; L1026-T1029 PolarHBondContact O-N 3.24Å; L1026-C1030 WeakPolarHBondContact O-CB 3.47Å; L1026-C1030 PolarHBondContact O-N 3.47Å; L1026-C1030 PolarHBondContact O-SG 2.84Å
1027L96.9Very high96.1Very high1 Ų127.4 Ų27.41%0.00516%0.162CC..Hα-helixtrans-59.8-43.8-178.6-67.4175.2000111.1F1023 V1024 F1033 A1038 F1041 V1042F1023-L1027 HydrophobicContact CD1-CD1 3.96Å; F1023-L1027 HydrophobicContact CD1-CG 4.09Å; F1023-L1027 HydrophobicContact CE1-CD1 4.08Å; F1023-L1027 HydrophobicContact CE1-CD2 4.27Å; F1023-L1027 HydrophobicContact CE1-CG 4.15Å; F1023-L1027 WeakPolarHBondContact O-CG 3.47Å; F1023-L1027 PolarHBondContact O-N 3.29Å; V1024-L1027 PolarHBondContact O-N 2.63Å; L1027-F1033 HydrophobicContact CB-CD2 4.48Å; L1027-F1033 HydrophobicContact CD2-CD2 4.01Å; L1027-F1033 HydrophobicContact CD2-CE1 4.48Å; L1027-F1033 HydrophobicContact CD2-CE2 3.6Å; L1027-F1033 HydrophobicContact CD2-CZ 3.86Å; L1027-F1033 WeakPolarHBondContact O-CB 3.41Å; L1027-F1033 VanDerWaalsContact O-CD2 3.32Å; L1027-F1033 WeakPolarHBondContact O-CD2 3.46Å; L1027-A1038 HydrophobicContact CB-CB 3.78Å; L1027-F1041 HydrophobicContact CD1-CB 4.13Å; L1027-V1042 HydrophobicContact CD1-CG2 3.9Å
1028R96.4Very high96.1Very high41 Ų4127.5 Ų27.516%0.15516%0.163CC..Hα-helixtrans-73.8-27.7-176.5-69.2172.8177.2-169.9-0.5114.2D941 V1024 D1025 L1026 R1035 A1038 D1039D941-R1028 IonicContact OD1-CZ 2.76Å; D941-R1028 IonicContact OD1-NH1 2.6Å; D941-R1028 PolarHBondContact OD1-NH1 2.8Å; D941-R1028 IonicContact OD1-NH2 2.73Å; D941-R1028 IonicContact OD2-CZ 2.77Å; D941-R1028 IonicContact OD2-NH1 2.75Å; D941-R1028 PolarHBondContact OD2-NH1 2.79Å; D941-R1028 IonicContact OD2-NH2 3.64Å; D941-R1028 PolarHBondContact OD2-NH2 3.44Å; V1024-R1028 HydrophobicContact CG1-CG 4.25Å; V1024-R1028 VanDerWaalsContact CG1-CZ 3.49Å; V1024-R1028 WeakPolarHBondContact O-CB 3.37Å; V1024-R1028 VanDerWaalsContact O-CG 3.31Å; V1024-R1028 WeakPolarHBondContact O-CG 3.35Å; V1024-R1028 PolarHBondContact O-N 3.24Å; D1025-R1028 PolarHBondContact O-N 3.32Å; L1026-R1028 VanDerWaalsContact C-N 3.32Å; L1026-R1028 PolarHBondContact O-N 3.29Å; R1028-R1035 VanDerWaalsContact CD-NH1 3.26Å; R1028-R1035 VanDerWaalsContact NE-NH1 3.17Å; R1028-R1035 VanDerWaalsContact NH1-NH1 3.12Å; R1028-A1038 HydrophobicContact CG-CB 4.02Å; R1028-D1039 IonicContact CZ-OD1 3.44Å; R1028-D1039 IonicContact NE-OD1 3.53Å; R1028-D1039 PolarHBondContact NE-OD1 2.9Å; R1028-D1039 IonicContact NH2-OD1 3.24Å; R1028-D1039 PolarHBondContact NH2-OD1 2.87Å; R1028-D1039 IonicContact NH2-OD2 3.01Å
1029T94.9Very high95.9Very high34 Ų3429.8 Ų29.821%0.20918%0.175CC..Hα-helixtrans-120.6-9.3-166.572.30000114.5P989 S990 D1025 L1026 G1031P989-T1029 WeakPolarHBondContact CG-O 3.32Å; S990-T1029 PolarHBondContact O-OG1 3.3Å; D1025-T1029 VanDerWaalsContact O-CB 3.29Å; D1025-T1029 WeakPolarHBondContact O-CB 3.43Å; D1025-T1029 WeakPolarHBondContact O-CG2 3.26Å; D1025-T1029 PolarHBondContact O-N 3.15Å; D1025-T1029 PolarHBondContact O-OG1 3.19Å; L1026-T1029 PolarHBondContact O-N 3.24Å; T1029-G1031 PolarHBondContact O-N 2.97Å; T1029-G1031 VanDerWaalsContact O-N 3.15Å
1030C94.3Very high95.8Very high13 Ų1335 Ų359%0.08820%0.199CC..SBendtrans-71.3-6.9-179.271.40000115.1P873 Y875 L1026 G1032P873-C1030 HydrophobicContact CG-CB 4.28Å; P873-C1030 WeakPolarHBondContact CG-O 3.21Å; Y875-C1030 VanDerWaalsContact OH-CA 3.23Å; Y875-C1030 WeakPolarHBondContact OH-CA 3.22Å; Y875-C1030 WeakPolarHBondContact OH-CB 3.35Å; L1026-C1030 WeakPolarHBondContact O-CB 3.47Å; L1026-C1030 PolarHBondContact O-N 3.47Å; L1026-C1030 PolarHBondContact O-SG 2.84Å; C1030-G1032 PolarHBondContact O-N 2.96Å
1031G91.1Very high95.8Very high76 Ų7636.1 Ų36.178%0.78420%0.204SC*.SBendtrans77.52-179.100000114.4T1029T1029-G1031 PolarHBondContact O-N 2.97Å; T1029-G1031 VanDerWaalsContact O-N 3.15Å
1032G89.3Confident95.7Very high24 Ų2436.5 Ų36.525%0.24721%0.207CC..SBendtrans-90.5-9.8178.700000115R870 C1030R870-G1032 WeakPolarHBondContact CD-O 3.45Å; R870-G1032 PolarHBondContact NE-O 2.84Å; C1030-G1032 PolarHBondContact O-N 2.96Å
1033F96.8Very high95.5Very high19 Ų1943.5 Ų43.58%0.08324%0.239CC..SBendtrans-137.7143.9-172.7-54.9-82.7000111.2F868 R870 L872 L1027 E1037 A1038 F1041F868-F1033 HydrophobicContact CB-CE1 3.73Å; F868-F1033 HydrophobicContact CB-CZ 3.65Å; F868-F1033 HydrophobicContact CD2-CZ 4.23Å; F868-F1033 HydrophobicContact CG-CE1 4.24Å; F868-F1033 AromaticContact CG-CZ 3.91Å; F868-F1033 HydrophobicContact CG-CZ 3.91Å; R870-F1033 HydrophobicContact CB-CE1 4.45Å; R870-F1033 HydrophobicContact CB-CZ 4.22Å; R870-F1033 HydrophobicContact CG-CD1 4.24Å; R870-F1033 HydrophobicContact CG-CE1 3.6Å; R870-F1033 HydrophobicContact CG-CZ 3.84Å; L872-F1033 HydrophobicContact CD2-CE2 3.59Å; L872-F1033 HydrophobicContact CD2-CZ 3.81Å; L1027-F1033 HydrophobicContact CB-CD2 4.48Å; L1027-F1033 HydrophobicContact CD2-CD2 4.01Å; L1027-F1033 HydrophobicContact CD2-CE1 4.48Å; L1027-F1033 HydrophobicContact CD2-CE2 3.6Å; L1027-F1033 HydrophobicContact CD2-CZ 3.86Å; L1027-F1033 WeakPolarHBondContact O-CB 3.41Å; L1027-F1033 VanDerWaalsContact O-CD2 3.32Å; L1027-F1033 WeakPolarHBondContact O-CD2 3.46Å; F1033-E1037 HydrophobicContact CB-CB 4.32Å; F1033-E1037 HydrophobicContact CD1-CB 4.29Å; F1033-A1038 HydrophobicContact CB-CB 4.23Å; F1033-F1041 HydrophobicContact CD1-CD2 4.11Å; F1033-F1041 AromaticContact CD1-CE2 3.91Å; F1033-F1041 HydrophobicContact CD1-CE2 3.91Å; F1033-F1041 AromaticContact CE1-CD2 3.95Å; F1033-F1041 HydrophobicContact CE1-CD2 3.95Å; F1033-F1041 AromaticContact CE1-CE2 3.63Å; F1033-F1041 HydrophobicContact CE1-CE2 3.63Å
1034T97Very high95.3Very high80 Ų8048.9 Ų48.949%0.49127%0.267SS..  trans-70.1166.6158.662.90000110.1D1036 E1037 A1038T1034-D1036 VanDerWaalsContact C-N 3.33Å; T1034-D1036 PolarHBondContact O-N 3.36Å; T1034-E1037 WeakPolarHBondContact CB-OE2 3.29Å; T1034-E1037 WeakPolarHBondContact CG2-OE2 3.48Å; T1034-E1037 PolarHBondContact N-OE2 3.45Å; T1034-E1037 PolarHBondContact O-N 3.34Å; T1034-E1037 VanDerWaalsContact OG1-CG 3.24Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-E1037 PolarHBondContact OG1-N 2.98Å; T1034-E1037 PolarHBondContact OG1-OE2 3.31Å; T1034-A1038 WeakPolarHBondContact O-CB 3.31Å; T1034-A1038 PolarHBondContact O-N 2.81Å
1035R94.3Very high95.1Very high100 Ų10049.5 Ų49.538%0.37727%0.273SS..Hα-helixtrans-63-42.2179.3-178.655.1-172-114.2-18.5112.3D941 R1028 A1038 D1039D941-R1035 IonicContact OD1-CZ 2.73Å; D941-R1035 IonicContact OD1-NH1 3.62Å; D941-R1035 IonicContact OD1-NH2 2.74Å; D941-R1035 PolarHBondContact OD1-NH2 2.94Å; D941-R1035 IonicContact OD2-NH2 2.69Å; D941-R1035 PolarHBondContact OD2-NH2 3.36Å; R1028-R1035 VanDerWaalsContact CD-NH1 3.26Å; R1028-R1035 VanDerWaalsContact NE-NH1 3.17Å; R1028-R1035 VanDerWaalsContact NH1-NH1 3.12Å; R1035-A1038 PolarHBondContact O-N 3.18Å; R1035-D1039 IonicContact CZ-OD1 2.82Å; R1035-D1039 IonicContact CZ-OD2 3.77Å; R1035-D1039 VanDerWaalsContact NE-CG 3.32Å; R1035-D1039 IonicContact NE-OD1 3.43Å; R1035-D1039 PolarHBondContact NE-OD1 3.01Å; R1035-D1039 IonicContact NE-OD2 2.79Å; R1035-D1039 PolarHBondContact NE-OD2 3.44Å; R1035-D1039 IonicContact NH2-OD1 3.53Å; R1035-D1039 IonicContact NH2-OD2 3.39Å; R1035-D1039 PolarHBondContact NH2-OD2 2.96Å; R1035-D1039 PolarHBondContact O-N 3.4Å
1036D95.8Very high95Very high132 Ų13250 Ų5071%0.70628%0.278SS*.Hα-helixtrans-64.5-44.4-179.9-61.3-19000111.2T1034 A1038 D1039 E1040T1034-D1036 VanDerWaalsContact C-N 3.33Å; T1034-D1036 PolarHBondContact O-N 3.36Å; D1036-A1038 PolarHBondContact O-N 3.01Å; D1036-D1039 PolarHBondContact O-N 2.92Å; D1036-E1040 WeakPolarHBondContact O-CB 3.43Å; D1036-E1040 PolarHBondContact O-N 3.38Å
1037E96Very high94.8Very high50 Ų5050 Ų5023%0.23428%0.278CS..Hα-helixtrans-61.2-43.5175.1-71.6168.2132.200111.8R870 F1033 T1034 D1039 E1040 F1041R870-E1037 IonicContact CZ-OE1 3.21Å; R870-E1037 IonicContact NH2-OE1 3.54Å; R870-E1037 PolarHBondContact NH2-OE1 3Å; R870-E1037 IonicContact NH2-OE2 3.24Å; F1033-E1037 HydrophobicContact CB-CB 4.32Å; F1033-E1037 HydrophobicContact CD1-CB 4.29Å; T1034-E1037 WeakPolarHBondContact CB-OE2 3.29Å; T1034-E1037 WeakPolarHBondContact CG2-OE2 3.48Å; T1034-E1037 PolarHBondContact N-OE2 3.45Å; T1034-E1037 PolarHBondContact O-N 3.34Å; T1034-E1037 VanDerWaalsContact OG1-CG 3.24Å; T1034-E1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-E1037 PolarHBondContact OG1-N 2.98Å; T1034-E1037 PolarHBondContact OG1-OE2 3.31Å; E1037-D1039 VanDerWaalsContact C-N 3.35Å; E1037-D1039 PolarHBondContact O-N 3.43Å; E1037-E1040 PolarHBondContact O-N 3.22Å; E1037-F1041 WeakPolarHBondContact O-CD2 3.33Å; E1037-F1041 PolarHBondContact O-N 3.45Å
1038A95.5Very high94.7Very high1 Ų152.3 Ų52.31%0.00829%0.29CS..Hα-helixtrans-62.1-43179.100000111.8L1027 R1028 F1033 T1034 R1035 D1036 V1042L1027-A1038 HydrophobicContact CB-CB 3.78Å; R1028-A1038 HydrophobicContact CG-CB 4.02Å; F1033-A1038 HydrophobicContact CB-CB 4.23Å; T1034-A1038 WeakPolarHBondContact O-CB 3.31Å; T1034-A1038 PolarHBondContact O-N 2.81Å; R1035-A1038 PolarHBondContact O-N 3.18Å; D1036-A1038 PolarHBondContact O-N 3.01Å; A1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; A1038-V1042 PolarHBondContact O-N 3.42Å
1039D94.4Very high94.6Very high49 Ų4951.4 Ų51.426%0.26229%0.294SS..Hα-helixtrans-71-37.8178.8-71-18.8000111.3R1028 R1035 D1036 E1037 F1041 V1042 E1043R1028-D1039 IonicContact CZ-OD1 3.44Å; R1028-D1039 IonicContact NE-OD1 3.53Å; R1028-D1039 PolarHBondContact NE-OD1 2.9Å; R1028-D1039 IonicContact NH2-OD1 3.24Å; R1028-D1039 PolarHBondContact NH2-OD1 2.87Å; R1028-D1039 IonicContact NH2-OD2 3.01Å; R1035-D1039 IonicContact CZ-OD1 2.82Å; R1035-D1039 IonicContact CZ-OD2 3.77Å; R1035-D1039 VanDerWaalsContact NE-CG 3.32Å; R1035-D1039 IonicContact NE-OD1 3.43Å; R1035-D1039 PolarHBondContact NE-OD1 3.01Å; R1035-D1039 IonicContact NE-OD2 2.79Å; R1035-D1039 PolarHBondContact NE-OD2 3.44Å; R1035-D1039 IonicContact NH2-OD1 3.53Å; R1035-D1039 IonicContact NH2-OD2 3.39Å; R1035-D1039 PolarHBondContact NH2-OD2 2.96Å; R1035-D1039 PolarHBondContact O-N 3.4Å; D1036-D1039 PolarHBondContact O-N 2.92Å; E1037-D1039 VanDerWaalsContact C-N 3.35Å; E1037-D1039 PolarHBondContact O-N 3.43Å; D1039-F1041 PolarHBondContact O-N 3.32Å; D1039-V1042 PolarHBondContact O-N 3.02Å; D1039-E1043 WeakPolarHBondContact O-CB 3.45Å; D1039-E1043 PolarHBondContact O-N 2.91Å
1040E96.1Very high94.7Very high110 Ų11049.9 Ų49.951%0.51428%0.284SS..Hα-helixtrans-58.8-47.5173.7-177.5178.1-160.300111.6D1036 E1037 V1042 E1043 I1044D1036-E1040 WeakPolarHBondContact O-CB 3.43Å; D1036-E1040 PolarHBondContact O-N 3.38Å; E1037-E1040 PolarHBondContact O-N 3.22Å; E1040-V1042 VanDerWaalsContact C-N 3.25Å; E1040-V1042 PolarHBondContact O-N 2.86Å; E1040-E1043 WeakPolarHBondContact O-CB 3.28Å; E1040-E1043 PolarHBondContact O-N 3.31Å; E1040-I1044 HydrophobicContact CG-CG2 4.29Å; E1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; E1040-I1044 WeakPolarHBondContact O-CG2 3.27Å; E1040-I1044 PolarHBondContact O-N 3.39Å
1041F96.3Very high94.8Very high24 Ų2449.6 Ų49.611%0.10528%0.282CS..Hα-helixtrans-62-32.5179.2-77.9-58.2000113.3W867 F868 L1027 F1033 E1037 D1039 I1044 G1045 A1046W867-F1041 WeakPolarHBondContact O-CE1 3.32Å; F868-F1041 HydrophobicContact CB-CE2 4.38Å; F868-F1041 HydrophobicContact CB-CZ 4.23Å; F868-F1041 AromaticContact CD1-CD1 3.57Å; F868-F1041 HydrophobicContact CD1-CD1 3.57Å; F868-F1041 AromaticContact CD1-CD2 3.97Å; F868-F1041 HydrophobicContact CD1-CD2 3.97Å; F868-F1041 AromaticContact CD1-CE1 3.65Å; F868-F1041 HydrophobicContact CD1-CE1 3.65Å; F868-F1041 HydrophobicContact CD1-CE2 4.04Å; F868-F1041 AromaticContact CD1-CG 3.76Å; F868-F1041 HydrophobicContact CD1-CG 3.76Å; F868-F1041 AromaticContact CD1-CZ 3.9Å; F868-F1041 HydrophobicContact CD1-CZ 3.9Å; F868-F1041 HydrophobicContact CE1-CB 4.3Å; F868-F1041 AromaticContact CE1-CD1 3.88Å; F868-F1041 HydrophobicContact CE1-CD1 3.88Å; F868-F1041 HydrophobicContact CE1-CE1 4.37Å; F868-F1041 AromaticContact CE1-CG 3.99Å; F868-F1041 HydrophobicContact CE1-CG 3.99Å; L1027-F1041 HydrophobicContact CD1-CB 4.13Å; F1033-F1041 HydrophobicContact CD1-CD2 4.11Å; F1033-F1041 AromaticContact CD1-CE2 3.91Å; F1033-F1041 HydrophobicContact CD1-CE2 3.91Å; F1033-F1041 AromaticContact CE1-CD2 3.95Å; F1033-F1041 HydrophobicContact CE1-CD2 3.95Å; F1033-F1041 AromaticContact CE1-CE2 3.63Å; F1033-F1041 HydrophobicContact CE1-CE2 3.63Å; E1037-F1041 WeakPolarHBondContact O-CD2 3.33Å; E1037-F1041 PolarHBondContact O-N 3.45Å; D1039-F1041 PolarHBondContact O-N 3.32Å; F1041-I1044 HydrophobicContact CD1-CD1 3.91Å; F1041-I1044 HydrophobicContact CE1-CD1 4.37Å; F1041-G1045 PolarHBondContact O-N 3.36Å; F1041-A1046 HydrophobicContact CB-CB 4.37Å; F1041-A1046 WeakPolarHBondContact O-CB 3.42Å; F1041-A1046 PolarHBondContact O-N 3.33Å
1042V94.8Very high95.1Very high9 Ų948.4 Ų48.46%0.05526%0.259CS..Hα-helixtrans-71.8-42.8172.8176.70000110.2A933 K934 V1024 L1027 A1038 D1039 E1040 G1045 L1047A933-V1042 HydrophobicContact CB-CG1 4.33Å; K934-V1042 WeakPolarHBondContact CE-O 3.49Å; K934-V1042 HydrophobicContact CG-CG1 4.03Å; V1024-V1042 HydrophobicContact CG2-CG1 4.48Å; V1024-V1042 HydrophobicContact CG2-CG2 3.88Å; L1027-V1042 HydrophobicContact CD1-CG2 3.9Å; A1038-V1042 WeakPolarHBondContact O-CG2 3.44Å; A1038-V1042 PolarHBondContact O-N 3.42Å; D1039-V1042 PolarHBondContact O-N 3.02Å; E1040-V1042 VanDerWaalsContact C-N 3.25Å; E1040-V1042 PolarHBondContact O-N 2.86Å; V1042-G1045 PolarHBondContact O-N 3.05Å; V1042-L1047 HydrophobicContact CG2-CD1 4.3Å
1043E94.3Very high95.5Very high146 Ų14650.3 Ų50.368%0.68226%0.263SS*.Hα-helixtrans-61.2-50-179.6-172.1172.1-176.700112.1K934 D1039 E1040 G1045K934-E1043 PolarHBondContact NZ-O 3.31Å; K934-E1043 VanDerWaalsContact NZ-O 3.09Å; D1039-E1043 WeakPolarHBondContact O-CB 3.45Å; D1039-E1043 PolarHBondContact O-N 2.91Å; E1040-E1043 WeakPolarHBondContact O-CB 3.28Å; E1040-E1043 PolarHBondContact O-N 3.31Å; E1043-G1045 PolarHBondContact O-N 3.26Å
1044I93.9Very high95.5Very high114 Ų11449.4 Ų49.459%0.58526%0.259SS*.THydrogen-bonded Turntrans-72.5-4179.972.7-177.1000113.4E1040 F1041E1040-I1044 HydrophobicContact CG-CG2 4.29Å; E1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; E1040-I1044 WeakPolarHBondContact O-CG2 3.27Å; E1040-I1044 PolarHBondContact O-N 3.39Å; F1041-I1044 HydrophobicContact CD1-CD1 3.91Å; F1041-I1044 HydrophobicContact CE1-CD1 4.37Å
1045G94.3Very high95.5Very high12 Ų1246.1 Ų46.112%0.12424%0.238CC..THydrogen-bonded Turntrans89.935.2167.200000115.4F1041 V1042 E1043 L1047 N1048 G1049F1041-G1045 PolarHBondContact O-N 3.36Å; V1042-G1045 PolarHBondContact O-N 3.05Å; E1043-G1045 PolarHBondContact O-N 3.26Å; G1045-L1047 PolarHBondContact O-N 3.18Å; G1045-L1047 VanDerWaalsContact O-N 3.16Å; G1045-N1048 WeakPolarHBondContact O-CB 3.4Å; G1045-N1048 PolarHBondContact O-N 3.07Å; G1045-G1049 PolarHBondContact O-N 2.88Å
1046A94.7Very high95.7Very high14 Ų1442.3 Ų42.312%0.11623%0.227CC..Hα-helixtrans-54.4-33.2174.700000112.8F868 F1041 G1049 I1050F868-A1046 HydrophobicContact CE1-CB 3.86Å; F868-A1046 HydrophobicContact CZ-CB 4.22Å; F1041-A1046 HydrophobicContact CB-CB 4.37Å; F1041-A1046 WeakPolarHBondContact O-CB 3.42Å; F1041-A1046 PolarHBondContact O-N 3.33Å; A1046-G1049 WeakPolarHBondContact O-CA 3.48Å; A1046-G1049 PolarHBondContact O-N 2.85Å; A1046-G1049 VanDerWaalsContact O-N 3.1Å; A1046-I1050 PolarHBondContact O-N 2.86Å; A1046-I1050 VanDerWaalsContact O-N 3.09Å
1047L94.7Very high95.8Very high1 Ų140.6 Ų40.61%0.00522%0.216CC..Hα-helixtrans-68.5-32.6177.3-80.571.8000113.1L929 D930 A933 F1023 V1042 G1045 G1049 I1050 F1051L929-L1047 HydrophobicContact CB-CB 4.45Å; D930-L1047 HydrophobicContact CB-CB 4.33Å; A933-L1047 HydrophobicContact CB-CD2 3.39Å; F1023-L1047 HydrophobicContact CB-CD1 4.37Å; F1023-L1047 HydrophobicContact CB-CD2 4.34Å; F1023-L1047 HydrophobicContact CB-CG 4.27Å; F1023-L1047 HydrophobicContact CD1-CD1 3.6Å; F1023-L1047 HydrophobicContact CD1-CG 4.17Å; F1023-L1047 HydrophobicContact CE1-CD1 4.21Å; F1023-L1047 HydrophobicContact CG-CD1 4.18Å; F1023-L1047 HydrophobicContact CG-CG 4.27Å; V1042-L1047 HydrophobicContact CG2-CD1 4.3Å; G1045-L1047 PolarHBondContact O-N 3.18Å; G1045-L1047 VanDerWaalsContact O-N 3.16Å; L1047-G1049 VanDerWaalsContact C-N 3.26Å; L1047-I1050 PolarHBondContact O-N 3.46Å; L1047-F1051 PolarHBondContact O-N 3.19Å
1048N93.6Very high95.9Very high49 Ų4938.7 Ų38.726%0.26221%0.209SC..Hα-helixtrans-63.5-39.4169.9-67.2-44.1000110D930 G1045 I1050 F1051 V1052D930-N1048 WeakPolarHBondContact CB-OD1 3.34Å; D930-N1048 PolarHBondContact OD2-ND2 3.32Å; G1045-N1048 WeakPolarHBondContact O-CB 3.4Å; G1045-N1048 PolarHBondContact O-N 3.07Å; N1048-I1050 VanDerWaalsContact C-N 3.34Å; N1048-I1050 PolarHBondContact O-N 2.87Å; N1048-F1051 PolarHBondContact O-N 3.38Å; N1048-V1052 WeakPolarHBondContact O-CB 3.47Å; N1048-V1052 VanDerWaalsContact O-CG2 3.29Å; N1048-V1052 WeakPolarHBondContact O-CG2 3.1Å; N1048-V1052 PolarHBondContact O-N 2.91Å
1049G95.3Very high96Very high23 Ų2338.7 Ų38.724%0.23721%0.209CC..Hα-helixtrans-55.6-45.4172.600000112.8W867 G1045 A1046 L1047 F1051 V1052 L1053W867-G1049 WeakPolarHBondContact CH2-O 3.33Å; G1045-G1049 PolarHBondContact O-N 2.88Å; A1046-G1049 WeakPolarHBondContact O-CA 3.48Å; A1046-G1049 PolarHBondContact O-N 2.85Å; A1046-G1049 VanDerWaalsContact O-N 3.1Å; L1047-G1049 VanDerWaalsContact C-N 3.26Å; G1049-F1051 PolarHBondContact O-N 3.13Å; G1049-V1052 PolarHBondContact O-N 3.23Å; G1049-L1053 VanDerWaalsContact O-CB 3.29Å; G1049-L1053 WeakPolarHBondContact O-CB 3.32Å; G1049-L1053 PolarHBondContact O-N 2.82Å
1050I96.4Very high96.2Very high1 Ų139 Ų391%0.00521%0.21CC..Hα-helixtrans-58.7-47.5176.6-65.2-65.9000111.2W867 I880 C883 L884 F1023 A1046 L1047 N1048 G1054W867-I1050 HydrophobicContact CE3-CD1 4.43Å; W867-I1050 HydrophobicContact CH2-CD1 4.15Å; W867-I1050 HydrophobicContact CZ3-CD1 3.54Å; W867-I1050 HydrophobicContact CZ3-CG1 3.93Å; I880-I1050 HydrophobicContact CG2-CD1 4.11Å; C883-I1050 HydrophobicContact CB-CG2 3.98Å; L884-I1050 HydrophobicContact CD2-CG2 4.37Å; F1023-I1050 HydrophobicContact CD2-CG1 4.44Å; F1023-I1050 HydrophobicContact CE2-CD1 3.78Å; F1023-I1050 HydrophobicContact CE2-CG1 3.73Å; F1023-I1050 HydrophobicContact CZ-CD1 3.96Å; F1023-I1050 HydrophobicContact CZ-CG1 3.91Å; A1046-I1050 PolarHBondContact O-N 2.86Å; A1046-I1050 VanDerWaalsContact O-N 3.09Å; L1047-I1050 PolarHBondContact O-N 3.46Å; N1048-I1050 VanDerWaalsContact C-N 3.34Å; N1048-I1050 PolarHBondContact O-N 2.87Å; I1050-G1054 PolarHBondContact O-N 3.38Å
1051F96.3Very high96.3Very high8 Ų835.5 Ų35.54%0.03520%0.204CC..Hα-helixtrans-65.3-44.8179.3-172.7-92.8000112T887 I921 F925 L929 L1047 N1048 G1049 R1055T887-F1051 HydrophobicContact CG2-CD2 4.23Å; I921-F1051 HydrophobicContact CD1-CD1 4.09Å; I921-F1051 HydrophobicContact CD1-CE1 4Å; I921-F1051 HydrophobicContact CG1-CD1 4.47Å; I921-F1051 HydrophobicContact CG1-CE1 4.15Å; I921-F1051 HydrophobicContact CG2-CD1 3.81Å; I921-F1051 HydrophobicContact CG2-CE1 4.14Å; F925-F1051 HydrophobicContact CE2-CZ 4.44Å; F925-F1051 HydrophobicContact CZ-CE1 4.41Å; F925-F1051 HydrophobicContact CZ-CZ 4.36Å; L929-F1051 HydrophobicContact CD1-CB 4.37Å; L929-F1051 HydrophobicContact CD1-CD2 3.67Å; L929-F1051 HydrophobicContact CD1-CE2 4.38Å; L929-F1051 HydrophobicContact CD1-CG 4.32Å; L929-F1051 HydrophobicContact CD2-CB 4.28Å; L1047-F1051 PolarHBondContact O-N 3.19Å; N1048-F1051 PolarHBondContact O-N 3.38Å; G1049-F1051 PolarHBondContact O-N 3.13Å; F1051-R1055 HydrophobicContact CD1-CB 4.37Å; F1051-R1055 HydrophobicContact CE1-CB 4.14Å; F1051-R1055 HydrophobicContact CE1-CG 4.22Å; F1051-R1055 HydrophobicContact CZ-CG 4.46Å; F1051-R1055 WeakPolarHBondContact O-CB 3.46Å; F1051-R1055 PolarHBondContact O-N 3.15Å
1052V97.4Very high96.5Very high51 Ų5135.4 Ų35.431%0.30920%0.203SC..Hα-helixtrans-60.7-48.6178.2169.10000110.9L918 I921 N1048 G1049 S1056L918-V1052 HydrophobicContact CD2-CG1 4.32Å; I921-V1052 HydrophobicContact CB-CG2 4.41Å; I921-V1052 HydrophobicContact CD1-CG2 4.16Å; I921-V1052 HydrophobicContact CG2-CG2 3.79Å; N1048-V1052 WeakPolarHBondContact O-CB 3.47Å; N1048-V1052 VanDerWaalsContact O-CG2 3.29Å; N1048-V1052 WeakPolarHBondContact O-CG2 3.1Å; N1048-V1052 PolarHBondContact O-N 2.91Å; G1049-V1052 PolarHBondContact O-N 3.23Å; V1052-S1056 WeakPolarHBondContact O-CB 3.33Å; V1052-S1056 PolarHBondContact O-N 3.49Å; V1052-S1056 PolarHBondContact O-OG 3.33Å
1053L97.6Very high96.6Very high63 Ų6336.6 Ų36.633%0.3321%0.207SC..Hα-helixtrans-65.2-45.7-179.3-178.861.2000111.5L863 W867 L884 G1049L863-L1053 HydrophobicContact CD1-CD2 3.73Å; L863-L1053 HydrophobicContact CD2-CD2 3.65Å; L863-L1053 HydrophobicContact CG-CD2 4.34Å; W867-L1053 HydrophobicContact CH2-CB 4.24Å; W867-L1053 HydrophobicContact CH2-CD2 4.01Å; W867-L1053 HydrophobicContact CZ2-CB 4.42Å; W867-L1053 HydrophobicContact CZ2-CD2 3.82Å; L884-L1053 HydrophobicContact CD1-CD2 4.18Å; L884-L1053 HydrophobicContact CD2-CB 3.99Å; L884-L1053 HydrophobicContact CD2-CD2 3.95Å; L884-L1053 HydrophobicContact CD2-CG 3.92Å; G1049-L1053 VanDerWaalsContact O-CB 3.29Å; G1049-L1053 WeakPolarHBondContact O-CB 3.32Å; G1049-L1053 PolarHBondContact O-N 2.82Å
1054G96.9Very high96.8Very high0 Ų034.1 Ų34.10%020%0.198CC..Hα-helixtrans-58.6-57175.200000111.2A888 I1050 S1056 M1057A888-G1054 WeakPolarHBondContact CA-O 3.42Å; I1050-G1054 PolarHBondContact O-N 3.38Å; G1054-S1056 PolarHBondContact O-N 2.82Å; G1054-M1057 WeakPolarHBondContact O-CB 3.39Å; G1054-M1057 WeakPolarHBondContact O-CE 3.23Å; G1054-M1057 PolarHBondContact O-N 2.97Å
1055R97.6Very high97Very high12 Ų1230.8 Ų30.85%0.04518%0.181CC..Hα-helixtrans-63.7-25.8-175-170.352.552.1130.85.6114.2T887 A888 I921 F1051 M1057 G1058 F1059T887-R1055 VanDerWaalsContact O-CZ 3.29Å; T887-R1055 PolarHBondContact O-NE 3.19Å; T887-R1055 PolarHBondContact O-NH2 2.98Å; A888-R1055 WeakPolarHBondContact O-CA 3.49Å; I921-R1055 HydrophobicContact CD1-CB 4.27Å; I921-R1055 HydrophobicContact CD1-CG 4.23Å; F1051-R1055 HydrophobicContact CD1-CB 4.37Å; F1051-R1055 HydrophobicContact CE1-CB 4.14Å; F1051-R1055 HydrophobicContact CE1-CG 4.22Å; F1051-R1055 HydrophobicContact CZ-CG 4.46Å; F1051-R1055 WeakPolarHBondContact O-CB 3.46Å; F1051-R1055 PolarHBondContact O-N 3.15Å; R1055-M1057 PolarHBondContact O-N 3.28Å; R1055-G1058 PolarHBondContact O-N 2.9Å; R1055-F1059 VanDerWaalsContact CD-CE1 3.48Å; R1055-F1059 HydrophobicContact CG-CD1 4.09Å; R1055-F1059 HydrophobicContact CG-CD2 4.37Å; R1055-F1059 HydrophobicContact CG-CE1 3.52Å; R1055-F1059 HydrophobicContact CG-CE2 3.84Å; R1055-F1059 HydrophobicContact CG-CG 4.48Å; R1055-F1059 HydrophobicContact CG-CZ 3.36Å; R1055-F1059 PolarHBondContact O-N 3.36Å; R1055-F1059 VanDerWaalsContact O-N 3.13Å
1056S98Very high97.2Very high20 Ų2031.3 Ų31.314%0.1418%0.181CC..Hα-helixtrans-56.3-34.7173.9-66.20000112L918 V1052 G1054 F1059 I1060L918-S1056 WeakPolarHBondContact CD2-OG 3.36Å; V1052-S1056 WeakPolarHBondContact O-CB 3.33Å; V1052-S1056 PolarHBondContact O-N 3.49Å; V1052-S1056 PolarHBondContact O-OG 3.33Å; G1054-S1056 PolarHBondContact O-N 2.82Å; S1056-F1059 PolarHBondContact O-N 3.08Å; S1056-I1060 VanDerWaalsContact O-CG1 3.3Å; S1056-I1060 WeakPolarHBondContact O-CG1 3.48Å; S1056-I1060 PolarHBondContact O-N 3.1Å
1057M98.3Very high97.3Very high96 Ų9634.3 Ų34.347%0.47319%0.191SC..Hα-helixtrans-60.6-47.9177.2-65.8-173.4-81.500111.8L884 A888 G1054 R1055 I1060 G1061L884-M1057 HydrophobicContact CB-CE 4.11Å; L884-M1057 VanDerWaalsContact O-CE 3.31Å; L884-M1057 WeakPolarHBondContact O-CE 3.35Å; A888-M1057 HydrophobicContact CB-CB 4.45Å; A888-M1057 HydrophobicContact CB-CE 3.87Å; G1054-M1057 WeakPolarHBondContact O-CB 3.39Å; G1054-M1057 WeakPolarHBondContact O-CE 3.23Å; G1054-M1057 PolarHBondContact O-N 2.97Å; R1055-M1057 PolarHBondContact O-N 3.28Å; M1057-I1060 PolarHBondContact O-N 3.02Å; M1057-G1061 PolarHBondContact O-N 3.08Å
1058G97.8Very high97.4Very high10 Ų1043.3 Ų43.310%0.10323%0.225CC..Hα-helixtrans-64.2-40.9177.500000113.2A888 R1055 G1061 H1062A888-G1058 VanDerWaalsContact O-CA 3.22Å; A888-G1058 WeakPolarHBondContact O-CA 3.49Å; A888-G1058 PolarHBondContact O-N 2.96Å; R1055-G1058 PolarHBondContact O-N 2.9Å; G1058-G1061 CarbonylContact O-C 3.07Å; G1058-G1061 WeakPolarHBondContact O-CA 3.42Å; G1058-G1061 PolarHBondContact O-N 3.49Å; G1058-G1061 VanDerWaalsContact O-N 3.16Å; G1058-H1062 PolarHBondContact O-CD2 3.46Å; G1058-H1062 PolarHBondContact O-N 2.88Å
1059F98.4Very high97.6Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-66.7-41.4179-69.2-0.7000112.1G896 A897 T900 L914 L918 I921 F925 R1055 S1056 G1061 H1062 Y1063G896-F1059 VanDerWaalsContact C-CE1 3.5Å; G896-F1059 VanDerWaalsContact CA-CZ 3.4Å; A897-F1059 HydrophobicContact CB-CD1 4.13Å; A897-F1059 HydrophobicContact CB-CE1 3.8Å; T900-F1059 HydrophobicContact CG2-CB 4.18Å; T900-F1059 WeakPolarHBondContact CG2-O 3.49Å; L914-F1059 HydrophobicContact CD1-CB 3.53Å; L914-F1059 HydrophobicContact CD1-CD2 4.21Å; L914-F1059 HydrophobicContact CD1-CG 4.41Å; L918-F1059 HydrophobicContact CD2-CD2 3.78Å; L918-F1059 HydrophobicContact CD2-CE2 3.95Å; L918-F1059 HydrophobicContact CG-CD2 4.21Å; I921-F1059 HydrophobicContact CD1-CE2 4.16Å; F925-F1059 AromaticContact CE1-CZ 3.95Å; F925-F1059 HydrophobicContact CE1-CZ 3.95Å; F925-F1059 HydrophobicContact CZ-CZ 4.1Å; R1055-F1059 VanDerWaalsContact CD-CE1 3.48Å; R1055-F1059 HydrophobicContact CG-CD1 4.09Å; R1055-F1059 HydrophobicContact CG-CD2 4.37Å; R1055-F1059 HydrophobicContact CG-CE1 3.52Å; R1055-F1059 HydrophobicContact CG-CE2 3.84Å; R1055-F1059 HydrophobicContact CG-CG 4.48Å; R1055-F1059 HydrophobicContact CG-CZ 3.36Å; R1055-F1059 PolarHBondContact O-N 3.36Å; R1055-F1059 VanDerWaalsContact O-N 3.13Å; S1056-F1059 PolarHBondContact O-N 3.08Å; F1059-G1061 VanDerWaalsContact C-N 3.29Å; F1059-G1061 PolarHBondContact O-N 3.49Å; F1059-H1062 PolarHBondContact O-N 3.03Å; F1059-Y1063 PolarHBondContact O-N 3.4Å
1060I98.6Very high97.7Very high56 Ų5652.8 Ų52.829%0.28726%0.261SS..Hα-helixtrans-60.1-43.6170.9-67.4166.9000110.1L910 L914 S1056 M1057 H1062 Y1063 L1064L910-I1060 HydrophobicContact CD1-CG2 4.22Å; L910-I1060 HydrophobicContact CD2-CG1 4.34Å; L914-I1060 HydrophobicContact CD1-CG1 4.17Å; L914-I1060 HydrophobicContact CD2-CD1 4.09Å; L914-I1060 HydrophobicContact CD2-CG1 3.94Å; S1056-I1060 VanDerWaalsContact O-CG1 3.3Å; S1056-I1060 WeakPolarHBondContact O-CG1 3.48Å; S1056-I1060 PolarHBondContact O-N 3.1Å; M1057-I1060 PolarHBondContact O-N 3.02Å; I1060-H1062 VanDerWaalsContact C-N 3.34Å; I1060-H1062 PolarHBondContact O-N 3.21Å; I1060-Y1063 PolarHBondContact O-N 3Å; I1060-L1064 HydrophobicContact CG2-CD1 3.97Å; I1060-L1064 HydrophobicContact CG2-CG 4.32Å; I1060-L1064 WeakPolarHBondContact O-CG 3.39Å; I1060-L1064 PolarHBondContact O-N 2.93Å
1061G98.4Very high97.7Very high37 Ų3756.9 Ų56.938%0.38128%0.28SS..Hα-helixtrans-54.3-47.5174.100000112.6M1057 G1058 F1059 L1064 D1065M1057-G1061 PolarHBondContact O-N 3.08Å; G1058-G1061 CarbonylContact O-C 3.07Å; G1058-G1061 WeakPolarHBondContact O-CA 3.42Å; G1058-G1061 PolarHBondContact O-N 3.49Å; G1058-G1061 VanDerWaalsContact O-N 3.16Å; F1059-G1061 VanDerWaalsContact C-N 3.29Å; F1059-G1061 PolarHBondContact O-N 3.49Å; G1061-L1064 PolarHBondContact O-N 3.16Å; G1061-D1065 VanDerWaalsContact O-CB 3.26Å; G1061-D1065 WeakPolarHBondContact O-CB 3.5Å; G1061-D1065 PolarHBondContact O-N 2.6Å
1062H98.4Very high97.6Very high21 Ų2158.8 Ų58.810%0.09730%0.302CS..Hα-helixtrans-64.5-42.6176-78.3-48.6000113.2D889 I901 G1058 F1059 I1060 L1064 D1065 Q1066D889-H1062 IonicContact OD1-CD2 3.69Å; D889-H1062 IonicContact OD1-NE2 3.82Å; D889-H1062 IonicContact OD2-NE2 2.82Å; I901-H1062 HydrophobicContact CD1-CB 4.27Å; I901-H1062 HydrophobicContact CG1-CB 3.91Å; G1058-H1062 PolarHBondContact O-CD2 3.46Å; G1058-H1062 PolarHBondContact O-N 2.88Å; F1059-H1062 PolarHBondContact O-N 3.03Å; I1060-H1062 VanDerWaalsContact C-N 3.34Å; I1060-H1062 PolarHBondContact O-N 3.21Å; H1062-L1064 PolarHBondContact O-N 3.04Å; H1062-D1065 PolarHBondContact O-N 3.23Å; H1062-Q1066 VanDerWaalsContact O-CG 3.27Å; H1062-Q1066 WeakPolarHBondContact O-CG 3.34Å; H1062-Q1066 PolarHBondContact O-N 3.05Å
1063Y98.6Very high97.6Very high34 Ų3462.7 Ų62.713%0.13332%0.32CS..Hα-helixtrans-56.9-50.9174.4164.7-94.7000111.5A904 D909 L910 S913 F1059 I1060 D1065 Q1066 K1067A904-Y1063 HydrophobicContact CB-CD2 3.69Å; A904-Y1063 HydrophobicContact CB-CE2 4.39Å; D909-Y1063 VanDerWaalsContact C-CE2 3.45Å; L910-Y1063 VanDerWaalsContact CA-CZ 3.49Å; L910-Y1063 HydrophobicContact CB-CD1 3.85Å; L910-Y1063 HydrophobicContact CB-CE1 3.49Å; L910-Y1063 VanDerWaalsContact CB-CE1 3.49Å; L910-Y1063 HydrophobicContact CB-CE2 4.33Å; L910-Y1063 HydrophobicContact CB-CG 4.44Å; L910-Y1063 HydrophobicContact CD1-CD1 3.9Å; L910-Y1063 HydrophobicContact CD1-CE1 3.9Å; L910-Y1063 HydrophobicContact CG-CD1 3.76Å; L910-Y1063 HydrophobicContact CG-CE1 3.87Å; L910-Y1063 HydrophobicContact CG-CG 4.4Å; L910-Y1063 VanDerWaalsContact N-CZ 3.33Å; L910-Y1063 PolarHBondContact N-OH 2.97Å; S913-Y1063 WeakPolarHBondContact OG-CD2 3.37Å; F1059-Y1063 PolarHBondContact O-N 3.4Å; I1060-Y1063 PolarHBondContact O-N 3Å; Y1063-D1065 VanDerWaalsContact C-N 3.31Å; Y1063-D1065 PolarHBondContact O-N 3.3Å; Y1063-Q1066 PolarHBondContact O-N 3.47Å; Y1063-K1067 HydrophobicContact CD2-CG 4.41Å; Y1063-K1067 HydrophobicContact CE1-CG 4.13Å; Y1063-K1067 HydrophobicContact CE2-CD 4.29Å; Y1063-K1067 HydrophobicContact CE2-CG 3.92Å; Y1063-K1067 WeakPolarHBondContact O-CG 3.39Å; Y1063-K1067 PolarHBondContact O-N 3.04Å; Y1063-K1067 WeakPolarHBondContact OH-CE 3.38Å
1064L98.2Very high97.5Very high95 Ų9562.8 Ų62.850%0.49732%0.317SS..Hα-helixtrans-62.8-40.3180-68.1175.3000111.3I1060 G1061 H1062 K1067 R1068I1060-L1064 HydrophobicContact CG2-CD1 3.97Å; I1060-L1064 HydrophobicContact CG2-CG 4.32Å; I1060-L1064 WeakPolarHBondContact O-CG 3.39Å; I1060-L1064 PolarHBondContact O-N 2.93Å; G1061-L1064 PolarHBondContact O-N 3.16Å; H1062-L1064 PolarHBondContact O-N 3.04Å; L1064-K1067 PolarHBondContact O-N 2.92Å; L1064-R1068 VanDerWaalsContact O-CB 3.29Å; L1064-R1068 WeakPolarHBondContact O-CB 3.27Å; L1064-R1068 PolarHBondContact O-N 3.29Å
1065D98.3Very high97.5Very high43 Ų4370.5 Ų70.523%0.2335%0.346CS..Hα-helixtrans-61.2-47.9176.3-17750.1000111.7G1061 H1062 Y1063 K1067 R1068 L1069G1061-D1065 VanDerWaalsContact O-CB 3.26Å; G1061-D1065 WeakPolarHBondContact O-CB 3.5Å; G1061-D1065 PolarHBondContact O-N 2.6Å; H1062-D1065 PolarHBondContact O-N 3.23Å; Y1063-D1065 VanDerWaalsContact C-N 3.31Å; Y1063-D1065 PolarHBondContact O-N 3.3Å; D1065-K1067 PolarHBondContact O-N 3.48Å; D1065-R1068 WeakPolarHBondContact O-CB 3.43Å; D1065-R1068 PolarHBondContact O-N 2.67Å; D1065-R1068 IonicContact OD1-CZ 2.78Å; D1065-R1068 IonicContact OD1-NE 3.59Å; D1065-R1068 IonicContact OD1-NH2 2.69Å; D1065-R1068 PolarHBondContact OD1-NH2 3.32Å; D1065-L1069 WeakPolarHBondContact O-CB 3.44Å; D1065-L1069 VanDerWaalsContact O-CG 3.25Å; D1065-L1069 WeakPolarHBondContact O-CG 3.31Å; D1065-L1069 PolarHBondContact O-N 3.2Å; D1065-L1069 WeakPolarHBondContact OD2-CD1 3.34Å
1066Q97.9Very high97.4Very high23 Ų2373.4 Ų73.411%0.10736%0.36CS..Hα-helixtrans-64.7-37.8178.8-64.2-54.5-69.700112.9I901 A904 R905 H1062 Y1063 L1069 K1070 Q1071I901-Q1066 HydrophobicContact CB-CG 4.16Å; I901-Q1066 HydrophobicContact CG1-CG 3.89Å; I901-Q1066 HydrophobicContact CG2-CG 3.86Å; A904-Q1066 HydrophobicContact CB-CB 4.09Å; R905-Q1066 HydrophobicContact CG-CB 4.49Å; H1062-Q1066 VanDerWaalsContact O-CG 3.27Å; H1062-Q1066 WeakPolarHBondContact O-CG 3.34Å; H1062-Q1066 PolarHBondContact O-N 3.05Å; Y1063-Q1066 PolarHBondContact O-N 3.47Å; Q1066-L1069 PolarHBondContact O-N 3.47Å; Q1066-K1070 PolarHBondContact O-N 3.31Å; Q1066-K1070 VanDerWaalsContact O-N 3.17Å; Q1066-Q1071 PolarHBondContact O-N 3.47Å
1067K96.4Very high97.2Very high78 Ų7875.3 Ų75.334%0.33937%0.372SS..Hα-helixtrans-64.3-44.6173-69-61-174.5-167.30111.4A904 K908 Y1063 L1064 D1065 K1070A904-K1067 PolarHBondContact O-NZ 3.21Å; A904-K1067 VanDerWaalsContact O-NZ 3.16Å; K908-K1067 VanDerWaalsContact O-CE 3.3Å; K908-K1067 WeakPolarHBondContact O-CE 3.32Å; K908-K1067 PolarHBondContact O-NZ 2.95Å; Y1063-K1067 HydrophobicContact CD2-CG 4.41Å; Y1063-K1067 HydrophobicContact CE1-CG 4.13Å; Y1063-K1067 HydrophobicContact CE2-CD 4.29Å; Y1063-K1067 HydrophobicContact CE2-CG 3.92Å; Y1063-K1067 WeakPolarHBondContact O-CG 3.39Å; Y1063-K1067 PolarHBondContact O-N 3.04Å; Y1063-K1067 WeakPolarHBondContact OH-CE 3.38Å; L1064-K1067 PolarHBondContact O-N 2.92Å; D1065-K1067 PolarHBondContact O-N 3.48Å; K1067-K1070 PolarHBondContact O-N 2.81Å; K1067-K1070 VanDerWaalsContact O-N 3.14Å
1068R97.9Very high97Very high189 Ų18978.4 Ų78.471%0.71338%0.378SS*.Hα-helixtrans-61.7-43.1176.5-178.4-174.865.4158-1111.9L1064 D1065 K1070L1064-R1068 VanDerWaalsContact O-CB 3.29Å; L1064-R1068 WeakPolarHBondContact O-CB 3.27Å; L1064-R1068 PolarHBondContact O-N 3.29Å; D1065-R1068 WeakPolarHBondContact O-CB 3.43Å; D1065-R1068 PolarHBondContact O-N 2.67Å; D1065-R1068 IonicContact OD1-CZ 2.78Å; D1065-R1068 IonicContact OD1-NE 3.59Å; D1065-R1068 IonicContact OD1-NH2 2.69Å; D1065-R1068 PolarHBondContact OD1-NH2 3.32Å; R1068-K1070 PolarHBondContact O-N 2.71Å
1069L97.3Very high96.8Very high83 Ų8385.1 Ų85.144%0.43541%0.412SS..THydrogen-bonded Turntrans-73.1-3.5177.4-68.3174.6000113.5D1065 Q1066 Q1071D1065-L1069 WeakPolarHBondContact O-CB 3.44Å; D1065-L1069 VanDerWaalsContact O-CG 3.25Å; D1065-L1069 WeakPolarHBondContact O-CG 3.31Å; D1065-L1069 PolarHBondContact O-N 3.2Å; D1065-L1069 WeakPolarHBondContact OD2-CD1 3.34Å; Q1066-L1069 PolarHBondContact O-N 3.47Å; L1069-Q1071 HydrophobicContact CB-CG 3.78Å; L1069-Q1071 PolarHBondContact O-N 2.99Å; L1069-Q1071 VanDerWaalsContact O-N 3.14Å
1070K96.8Very high96.6Very high189 Ų18990.7 Ų90.782%0.82244%0.442SS*.THydrogen-bonded Turntrans50.138.1-179-58.2-179180-179.70112.6Q1066 K1067 R1068 G1072Q1066-K1070 PolarHBondContact O-N 3.31Å; Q1066-K1070 VanDerWaalsContact O-N 3.17Å; K1067-K1070 PolarHBondContact O-N 2.81Å; K1067-K1070 VanDerWaalsContact O-N 3.14Å; R1068-K1070 PolarHBondContact O-N 2.71Å; K1070-G1072 PolarHBondContact O-N 3.34Å
1071Q96.6Very high96.4Very high87 Ų8791 Ų9141%0.40744%0.443SS..  trans-68.4127.6-176.9-72-71.9-52.400110.6R905 Q1066 L1069R905-Q1071 HydrophobicContact CG-CB 3.75Å; Q1066-Q1071 PolarHBondContact O-N 3.47Å; L1069-Q1071 HydrophobicContact CB-CG 3.78Å; L1069-Q1071 PolarHBondContact O-N 2.99Å; L1069-Q1071 VanDerWaalsContact O-N 3.14Å
1072G94.2Very high96.1Very high47 Ų4794.2 Ų94.249%0.48546%0.46SS..  trans-75.5175.3178.400000113.4R905 K1070 Y1074R905-G1072 PolarHBondContact NE-O 3.41Å; R905-G1072 PolarHBondContact NH2-O 3.11Å; K1070-G1072 PolarHBondContact O-N 3.34Å; G1072-Y1074 PolarHBondContact O-N 3.28Å
1073L97.4Very high95.6Very high133 Ų13399.2 Ų99.270%0.69648%0.479SS*.  trans-50133.7-178.7-179.164.9000112R905 A906R905-L1073 WeakPolarHBondContact O-CA 3.36Å; R905-L1073 PolarHBondContact O-N 2.91Å; A906-L1073 HydrophobicContact CB-CD1 3.89Å
1074Y96.4Very high95.2Very high66 Ų66103.8 Ų103.826%0.25951%0.51SS..  trans-89.4131.2173-179.4-108.2000110.4V902 G1072 H1076V902-Y1074 HydrophobicContact CG1-CD1 4.16Å; V902-Y1074 HydrophobicContact CG2-CD1 3.67Å; V902-Y1074 HydrophobicContact CG2-CE1 4.18Å; V902-Y1074 HydrophobicContact CG2-CG 4.3Å; G1072-Y1074 PolarHBondContact O-N 3.28Å; Y1074-H1076 HydrophobicContact CE1-CB 4.22Å; Y1074-H1076 AromaticContact CZ-ND1 3.84Å; Y1074-H1076 PolarHBondContact OH-ND1 3.03Å
1075R95.5Very high94.7Very high161 Ų161105.7 Ų105.761%0.60852%0.52SS*.  trans-125.8127.4168-173.5177.3-171.1-86.63.9107.7W1078R1075-W1078 VanDerWaalsContact NH1-CE2 3.34Å; R1075-W1078 VanDerWaalsContact NH2-CE2 3.3Å
1076H95.6Very high93.9Very high73 Ų73108.6 Ų108.634%0.33854%0.541SS..  trans-66.9134.2-178.5-16164.1000110.3Y1074 D1080Y1074-H1076 HydrophobicContact CE1-CB 4.22Å; Y1074-H1076 AromaticContact CZ-ND1 3.84Å; Y1074-H1076 PolarHBondContact OH-ND1 3.03Å; H1076-D1080 IonicContact CE1-OD2 2.76Å; H1076-D1080 PolarHBondContact CE1-OD2 2.96Å; H1076-D1080 IonicContact NE2-OD2 2.87Å; H1076-D1080 PolarHBondContact NE2-OD2 3.44Å; H1076-D1080 VanDerWaalsContact NE2-OD2 3.17Å
1077P93.7Very high93.1Very high61 Ų61116.7 Ų116.740%0.39658%0.579SS.*  trans-58.7147.4176.3-25.836.9000112.5D1079P1077-D1079 WeakPolarHBondContact CB-OD1 3.27Å
1078W94.6Very high91.8Very high161 Ų161121.9 Ų121.961%0.6160%0.604SS**SBendtrans-78.5-26.4-178.3-76.7-29.6000113.8R1075 D1080 I1081 Y1083R1075-W1078 VanDerWaalsContact NH1-CE2 3.34Å; R1075-W1078 VanDerWaalsContact NH2-CE2 3.3Å; W1078-D1080 PolarHBondContact O-N 2.99Å; W1078-I1081 PolarHBondContact O-N 3.45Å; W1078-Y1083 PolarHBondContact NE1-OH 2.98Å
1079D93.9Very high90Very high151 Ų151121.2 Ų121.281%0.80761%0.611SS**THydrogen-bonded Turntrans-68.3-20.9176.253.9-10.2000113.1P1077 I1081P1077-D1079 WeakPolarHBondContact CB-OD1 3.27Å; D1079-I1081 VanDerWaalsContact C-N 3.33Å
1080D93.3Very high88Confident117 Ų117122.6 Ų122.663%0.62663%0.627SS**THydrogen-bonded Turntrans-88.93.9173.7-154.224.8000112.9H1076 W1078H1076-D1080 IonicContact CE1-OD2 2.76Å; H1076-D1080 PolarHBondContact CE1-OD2 2.96Å; H1076-D1080 IonicContact NE2-OD2 2.87Å; H1076-D1080 PolarHBondContact NE2-OD2 3.44Å; H1076-D1080 VanDerWaalsContact NE2-OD2 3.17Å; W1078-D1080 PolarHBondContact O-N 2.99Å
1081I94.7Very high85.6Confident61 Ų61126.1 Ų126.131%0.31365%0.65SS.*  trans-119118.7-179.6-54.4169.3000110.5W1078 D1079 Y1083W1078-I1081 PolarHBondContact O-N 3.45Å; D1079-I1081 VanDerWaalsContact C-N 3.33Å; I1081-Y1083 HydrophobicContact CB-CD2 4.14Å; I1081-Y1083 HydrophobicContact CB-CE2 3.58Å; I1081-Y1083 HydrophobicContact CD1-CE2 4.36Å; I1081-Y1083 WeakPolarHBondContact CD1-OH 3.22Å; I1081-Y1083 HydrophobicContact CG2-CD1 4.49Å; I1081-Y1083 HydrophobicContact CG2-CD2 3.84Å; I1081-Y1083 HydrophobicContact CG2-CE1 4.19Å; I1081-Y1083 HydrophobicContact CG2-CE2 3.49Å; I1081-Y1083 VanDerWaalsContact CG2-CE2 3.49Å; I1081-Y1083 HydrophobicContact CG2-CG 4.33Å; I1081-Y1083 WeakPolarHBondContact O-CD2 3.49Å; I1081-Y1083 PolarHBondContact O-N 3.49Å
1082S93.3Very high85.1Confident105 Ų105128.1 Ų128.173%0.73466%0.662SS**  trans-82.3102.2171-168.80000110.9V1084S1082-V1084 PolarHBondContact O-N 3.13Å; S1082-V1084 VanDerWaalsContact O-N 3.15Å
1083Y87.8Confident84.6Confident127 Ų127132.3 Ų132.350%0.49867%0.671SS.*  trans-82.182.9176.5-69.6-91.7000111.2W1078 I1081 L1085W1078-Y1083 PolarHBondContact NE1-OH 2.98Å; I1081-Y1083 HydrophobicContact CB-CD2 4.14Å; I1081-Y1083 HydrophobicContact CB-CE2 3.58Å; I1081-Y1083 HydrophobicContact CD1-CE2 4.36Å; I1081-Y1083 WeakPolarHBondContact CD1-OH 3.22Å; I1081-Y1083 HydrophobicContact CG2-CD1 4.49Å; I1081-Y1083 HydrophobicContact CG2-CD2 3.84Å; I1081-Y1083 HydrophobicContact CG2-CE1 4.19Å; I1081-Y1083 HydrophobicContact CG2-CE2 3.49Å; I1081-Y1083 VanDerWaalsContact CG2-CE2 3.49Å; I1081-Y1083 HydrophobicContact CG2-CG 4.33Å; I1081-Y1083 WeakPolarHBondContact O-CD2 3.49Å; I1081-Y1083 PolarHBondContact O-N 3.49Å; Y1083-L1085 VanDerWaalsContact C-N 3.3Å; Y1083-L1085 PolarHBondContact O-N 2.66Å
1084V88.9Confident83.9Confident130 Ų130132.3 Ų132.379%0.78867%0.67SS**  trans-88.970.2172.7-168.40000109.2S1082S1082-V1084 PolarHBondContact O-N 3.13Å; S1082-V1084 VanDerWaalsContact O-N 3.15Å
1085L87.3Confident83.2Confident134 Ų134136.2 Ų136.270%0.70269%0.694SS**PPolyproline II helixtrans-78.6139.6-179.9-67.2163.9000110.2Y1083Y1083-L1085 VanDerWaalsContact C-N 3.3Å; Y1083-L1085 PolarHBondContact O-N 2.66Å
1086P82.5Confident82.4Confident104 Ų104134.6 Ų134.668%0.67570%0.7SS**PPolyproline II helixtrans-64.3139.517225.1-30.5000110.5
1087E81.1Confident81.5Confident193 Ų193138.7 Ų138.790%0.90272%0.724SS**SBendtrans-65134.2171.6-68.3-172.9170.500109.6M1089E1087-M1089 PolarHBondContact O-N 3.21Å
1088H68.4Low80.6Confident188 Ų188144.3 Ų144.387%0.8775%0.747SS**  trans-11.2107.1-175.5-101.1-80.2000116.1S1090H1088-S1090 PolarHBondContact O-N 3.22Å
1089M60.3Low79.6Confident175 Ų175143 Ų14386%0.86276%0.758SS**  trans-65.3101.7157.4-78.9-176.6172.300107.7E1087E1087-M1089 PolarHBondContact O-N 3.21Å
1090S56.3Low78.4Confident111 Ų111142.3 Ų142.378%0.77675%0.753SS**  trans-67133.5162.641.50000108.2H1088H1088-S1090 PolarHBondContact O-N 3.22Å
1091M46.6Very low77Confident263 Ų263144.6 Ų144.6100%1.29677%0.765SS**  trans-630172.6-94.8-169.8-116.900111.5

Retrieved 1,091 of 1,091 residues in 283.1 ms (Link to these results)

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