G4VAQ9_SCHMA Loading...

Putative rho GTPase AlphaSync

AlphaFold DB , UniProt , Accession G4VAQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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
1M31.6Very low35.8Very low247 Ų247161.9 Ų161.9100%1.21787%0.866SS**  0103.70-86.4-173.8-178.900108.8
2M36.7Very low35.5Very low200 Ų200164 Ų16499%0.98587%0.867SS**  trans-159.6127.8161.3-110.3166.4163.100107.5
3R38.7Very low35.1Very low239 Ų239160 Ų16090%0.90286%0.861SS**PPolyproline II helixtrans-85.7156.3-172.9-59.3-176.5-158.5-1775.3111
4P34.7Very low35Very low130 Ų130161.5 Ų161.584%0.84487%0.867SS**PPolyproline II helixtrans-82.4152177.733-31.1000112.3
5F45.6Very low34.7Very low206 Ų206160 Ų16090%0.90486%0.859SS**PPolyproline II helixtrans-90.3121.9171.5-104.8-90.5000109.8
6D31.7Very low34.6Very low159 Ų159160.4 Ų160.485%0.8585%0.85SS**PPolyproline II helixtrans-84139.8158-94.5-33.9000109.4
7S39.7Very low34.4Very low117 Ų117159.3 Ų159.382%0.81885%0.845SS**  trans-153.1106.7149.461.40000108.7
8G31.2Very low34.5Very low68 Ų68161.4 Ų161.470%0.70185%0.849SS**  trans-78.8174.8-178.400000114.4
9F33.3Very low34.4Very low209 Ų209161.6 Ų161.692%0.91785%0.849SS**  trans-157.1125.4154-122.4-89.3000108.7
10S36.4Very low34.4Very low109 Ų109163.1 Ų163.176%0.76285%0.851SS**  trans-125.2143.5161.3-166.70000105.4
11P34.3Very low34.1Very low97 Ų97161.4 Ų161.463%0.6385%0.848SS**  -156.2146.611432.3-11.1000117.5
12Q32.7Very low34.2Very low187 Ų187158.1 Ų158.187%0.87483%0.829SS**  71135.3128.4-62.8-175.911.100123.4
13S29.3Very low33.9Very low112 Ų112157.4 Ų157.478%0.78382%0.823SS**  trans-59.8141.8175.5520000115.7
14L34Very low33.6Very low181 Ų181151.9 Ų151.995%0.94882%0.816SS**  trans-134.9131.3155.5-106.8149.9000109.3
15N31.1Very low33.4Very low139 Ų139150.5 Ų150.574%0.74381%0.81SS**  trans-109.2158.2-172.4-167.16.6000109.7
16K32.4Very low32.9Very low166 Ų166150.1 Ų150.172%0.72281%0.811SS**  trans103105.3159.6-60.6-177.3177.5179.40118.3
17N31.4Very low33.3Very low142 Ų142151 Ų15176%0.75981%0.81SS**  60.1107.9128.9-57.9-7.6000118.7
18E35.9Very low33.1Very low197 Ų197154.4 Ų154.492%0.92181%0.812SS**  -158.3107.9129.8-110.7166.6-171.400109.6
19I32.6Very low33.9Very low165 Ų165157.5 Ų157.585%0.84682%0.818SS**  trans-89112.3168.6-65.1171.8000106.1
20Q34.7Very low34.7Very low192 Ų192154.5 Ų154.590%0.89781%0.806SS**  trans-140.4114.5153.8-107.9176.930.800109.6
21T27.7Very low35.3Very low127 Ų127156.7 Ų156.778%0.77981%0.81SS**  trans-63.2121.3179.2-6.10000110.7
22Q33.9Very low36.8Very low178 Ų178156.7 Ų156.783%0.83280%0.804SS**  trans-131.5111.4154-75.4-169.71.600109T24Q22-T24 PolarHBondContact O-N 3.27Å
23H30.8Very low39.3Very low186 Ų186154.5 Ų154.586%0.86180%0.799SS**  trans-54.8123.2164.7-97.6-91.6000109.9
24T31.8Very low42.2Very low122 Ų122151.4 Ų151.475%0.74878%0.776SS**  trans-156.3100.8156.9130000109.9Q22Q22-T24 PolarHBondContact O-N 3.27Å
25S31.8Very low45.1Very low101 Ų101144.2 Ų144.271%0.70674%0.739SS**  trans34.795.8151.354.80000118.1H27S25-H27 PolarHBondContact O-N 3.21Å
26E34.9Very low48.1Very low198 Ų198140.3 Ų140.393%0.92572%0.72SS**  trans-64.4113.3158.6-68.1176.4168.400108.7E28E26-E28 PolarHBondContact O-N 3.45Å
27H40.1Very low51.2Low179 Ų179132.4 Ų132.483%0.82969%0.686SS**  trans-63.4123.1171.3-103.6-88.3000109.3S25 V29S25-H27 PolarHBondContact O-N 3.21Å; H27-V29 PolarHBondContact O-N 2.88Å; H27-V29 VanDerWaalsContact O-N 3.1Å
28E35.4Very low54.4Low187 Ų187127.1 Ų127.187%0.87466%0.657SS**  trans-50.3112.9168.7-67.4176.6152.200110E26 E30E26-E28 PolarHBondContact O-N 3.45Å; E28-E30 PolarHBondContact O-N 2.93Å; E28-E30 VanDerWaalsContact O-N 3.12Å
29V47.1Very low57.3Low134 Ų134117.8 Ų117.881%0.81261%0.613SS**  trans-71.3102.1166.6178.70000106.2H27 N31H27-V29 PolarHBondContact O-N 2.88Å; H27-V29 VanDerWaalsContact O-N 3.1Å; V29-N31 PolarHBondContact O-N 3.01Å
30E50.2Low60.4Low145 Ų145109.9 Ų109.968%0.67857%0.572SS**  trans-48.9124.4167-88.3-177.2153.900108.3E28 N32E28-E30 PolarHBondContact O-N 2.93Å; E28-E30 VanDerWaalsContact O-N 3.12Å; E30-N32 PolarHBondContact O-N 2.69Å; E30-N32 PolarHBondContact OE2-ND2 2.87Å
31N49.1Very low63.4Low156 Ų156100.8 Ų100.883%0.83453%0.53SS*.  trans-63.770.8169-83.1-29.3000109.5V29 N33V29-N31 PolarHBondContact O-N 3.01Å; N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 VanDerWaalsContact O-N 3.12Å
32N67Low66.8Low96 Ų9694.7 Ų94.751%0.51349%0.493SS..  trans-80.195.9176.5-80.5-32.9000107.3E30 P83E30-N32 PolarHBondContact O-N 2.69Å; E30-N32 PolarHBondContact OE2-ND2 2.87Å; N32-P83 WeakPolarHBondContact O-CG 3.33Å
33N84.3Confident69.9Low142 Ų14286.2 Ų86.276%0.75945%0.453SS*.PPolyproline II helixtrans-51.5132.6172.5-77.5-13.5000109.3N31 T35N31-N33 PolarHBondContact O-N 3.2Å; N31-N33 VanDerWaalsContact O-N 3.12Å; N33-T35 PolarHBondContact O-N 3.08Å
34P90.9Very high73.1Confident47 Ų4778.5 Ų78.531%0.30542%0.418SS..PPolyproline II helixtrans-60132.9-176.521-30.4000110.5T36 P83 H85P34-T36 PolarHBondContact O-N 2.89Å; P34-P83 WeakPolarHBondContact CA-O 3.44Å; P34-P83 HydrophobicContact CB-CB 4.2Å; P34-H85 WeakPolarHBondContact CB-CD2 3.48Å; P34-H85 WeakPolarHBondContact CB-NE2 3.32Å; P34-H85 WeakPolarHBondContact CG-CE1 3.44Å; P34-H85 WeakPolarHBondContact CG-NE2 3.03Å
35T94.2Very high76.1Confident29 Ų2977.5 Ų77.518%0.17840%0.403CS..EExtended strand (participates in β ladder)trans-76126.8174.9-60.50000109N33 R82 P83 V84 H85 L264 A267N33-T35 PolarHBondContact O-N 3.08Å; T35-R82 VanDerWaalsContact CG2-NH2 3.31Å; T35-R82 VanDerWaalsContact OG1-CZ 3.26Å; T35-R82 PolarHBondContact OG1-NE 3Å; T35-R82 PolarHBondContact OG1-NH2 2.91Å; T35-P83 PolarHBondContact N-O 2.98Å; T35-V84 CarbonylContact O-C 3.56Å; T35-V84 VanDerWaalsContact O-CA 3.29Å; T35-V84 WeakPolarHBondContact O-CA 3.45Å; T35-V84 WeakPolarHBondContact O-CG1 3.31Å; T35-H85 PolarHBondContact O-N 3.21Å; T35-L264 HydrophobicContact CG2-CD2 3.83Å; T35-A267 HydrophobicContact CG2-CB 3.79Å
36T95.3Very high79.2Confident57 Ų5778.1 Ų78.135%0.3540%0.395SS..EExtended strand (participates in β ladder)trans-83.1130.9176.5-60.40000110.1P34 H85 Q87P34-T36 PolarHBondContact O-N 2.89Å; T36-H85 CarbonylContact C-O 3.59Å; T36-H85 WeakPolarHBondContact CA-O 3.14Å; T36-Q87 HydrophobicContact CG2-CG 4.1Å
37V96.9Very high82.2Confident0 Ų068.8 Ų68.80%035%0.351CS..EExtended strand (participates in β ladder)trans-121.4120.9172168.60000107.8V84 H85 L86 Q87 H109 L264V37-V84 HydrophobicContact CB-CG1 4.15Å; V37-V84 HydrophobicContact CG2-CG1 3.85Å; V37-H85 PolarHBondContact N-O 3.2Å; V37-L86 HydrophobicContact CB-CD1 4.21Å; V37-L86 HydrophobicContact CG1-CD1 3.84Å; V37-L86 CarbonylContact O-C 3.51Å; V37-L86 WeakPolarHBondContact O-CA 3.15Å; V37-Q87 PolarHBondContact O-N 3.45Å; V37-H109 HydrophobicContact CG1-CB 4.37Å; V37-L264 HydrophobicContact CG2-CD2 3.91Å; V37-L264 HydrophobicContact CG2-CG 4.21Å
38K97.5Very high84.9Confident32 Ų3261.2 Ų61.214%0.13932%0.322CS..EExtended strand (participates in β ladder)trans-102.1114.7176.6-176.2178.6175-174.30110.6Q87 S104 L106 H109 V110K38-Q87 CarbonylContact C-O 3.59Å; K38-Q87 WeakPolarHBondContact CA-O 3.46Å; K38-Q87 HydrophobicContact CB-CB 4.36Å; K38-Q87 HydrophobicContact CG-CB 4.38Å; K38-S104 WeakPolarHBondContact CE-O 3.38Å; K38-S104 PolarHBondContact NZ-O 2.89Å; K38-L106 PolarHBondContact NZ-O 2.82Å; K38-H109 PolarHBondContact N-ND1 3.35Å; K38-H109 VanDerWaalsContact N-ND1 3.14Å; K38-H109 WeakPolarHBondContact O-CB 3.3Å; K38-H109 PolarHBondContact O-N 3.02Å; K38-V110 PolarHBondContact O-N 3.4Å
39C97.6Very high87.9Confident0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-109.4143.7172.274.20000111Q87 C89 V110 L112C39-Q87 PolarHBondContact N-O 2.74Å; C39-C89 PolarHBondContact O-N 3.3Å; C39-V110 CarbonylContact C-O 3.57Å; C39-V110 VanDerWaalsContact CA-O 3.3Å; C39-V110 WeakPolarHBondContact CA-O 3.44Å; C39-V110 HydrophobicContact CB-CB 4.12Å; C39-L112 HydrophobicContact CB-CD1 4.36Å
40I97.8Very high90.2Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-126.7126.8-177.7-53175.1000108.7I42 C89 T91 S104 Y105 A108 V110 I111 L112I40-I42 HydrophobicContact CG2-CG2 3.93Å; I40-C89 HydrophobicContact CB-CB 4.37Å; I40-C89 HydrophobicContact CG1-CB 4.06Å; I40-C89 HydrophobicContact CG2-CB 4.22Å; I40-T91 HydrophobicContact CG2-CG2 3.53Å; I40-S104 VanDerWaalsContact CD1-C 3.43Å; I40-S104 WeakPolarHBondContact CD1-O 3.35Å; I40-Y105 HydrophobicContact CD1-CD1 3.95Å; I40-Y105 HydrophobicContact CG2-CD1 4.39Å; I40-Y105 HydrophobicContact CG2-CE1 4.28Å; I40-A108 HydrophobicContact CD1-CB 3.44Å; I40-A108 VanDerWaalsContact CD1-CB 3.44Å; I40-A108 HydrophobicContact CG1-CB 4.2Å; I40-V110 PolarHBondContact N-O 2.71Å; I40-I111 WeakPolarHBondContact O-CA 3.35Å; I40-L112 PolarHBondContact O-N 3.25Å
41L98.5Very high92.5Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-93.5124.1174.9-69.277.5000109.3K49 L52 V53 I88 C89 T91 L112L41-K49 HydrophobicContact CB-CB 4.22Å; L41-K49 HydrophobicContact CB-CD 4.13Å; L41-K49 HydrophobicContact CB-CG 4.4Å; L41-K49 HydrophobicContact CD2-CB 4.09Å; L41-L52 HydrophobicContact CD2-CB 4.48Å; L41-L52 HydrophobicContact CD2-CD2 4Å; L41-V53 HydrophobicContact CD1-CG2 4.03Å; L41-V53 HydrophobicContact CD2-CG2 3.67Å; L41-V53 HydrophobicContact CG-CG2 4.49Å; L41-I88 HydrophobicContact CD1-CG2 3.55Å; L41-C89 PolarHBondContact N-O 3.31Å; L41-T91 WeakPolarHBondContact O-CB 3.37Å; L41-T91 WeakPolarHBondContact O-CG2 3.31Å; L41-T91 PolarHBondContact O-OG1 2.97Å; L41-L112 HydrophobicContact CD1-CD1 3.64Å; L41-L112 HydrophobicContact CG-CB 4.04Å; L41-L112 HydrophobicContact CG-CD1 3.71Å
42I98.1Very high94.8Very high0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-129.6161173.971.3177.1000111.1I40 T91 R101 Y105 I111 L112 L113 C114 W130 L134I40-I42 HydrophobicContact CG2-CG2 3.93Å; I42-T91 HydrophobicContact CG2-CG2 4.48Å; I42-R101 HydrophobicContact CG2-CG 4.47Å; I42-Y105 HydrophobicContact CD1-CE1 4.48Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; I42-I111 HydrophobicContact CD1-CG2 3.71Å; I42-I111 HydrophobicContact CG1-CG2 3.88Å; I42-L112 PolarHBondContact N-O 3.3Å; I42-L113 HydrophobicContact CD1-CD2 3.66Å; I42-L113 HydrophobicContact CG1-CD2 3.78Å; I42-C114 WeakPolarHBondContact O-CB 3.43Å; I42-C114 PolarHBondContact O-N 2.92Å; I42-W130 HydrophobicContact CB-CE3 3.89Å; I42-W130 HydrophobicContact CB-CZ3 4.07Å; I42-W130 HydrophobicContact CD1-CB 4.39Å; I42-W130 HydrophobicContact CD1-CE3 4.09Å; I42-W130 HydrophobicContact CG1-CE3 4.2Å; I42-L134 HydrophobicContact CD1-CD1 3.78Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 3.9Å
43G98.3Very high96.3Very high0 Ų030.2 Ų30.20%017%0.165CC..  trans140.8166-171.900000111.7K49 G93 C114 W130G43-K49 PolarHBondContact O-NZ 3.05Å; G43-G93 VanDerWaalsContact O-CA 3.32Å; G43-G93 WeakPolarHBondContact O-CA 3.45Å; G43-C114 WeakPolarHBondContact CA-O 3.48Å; G43-W130 WeakPolarHBondContact O-CH2 3.33Å; G43-W130 WeakPolarHBondContact O-CZ2 3.31Å
44D98Very high96.8Very high24 Ų2424.9 Ų24.913%0.12814%0.137CC..SBendtrans-55.2160.3-174.5-74.423.4000112.8V47 K49 T122 S125 W130D44-V47 HydrophobicContact CB-CG1 3.76Å; D44-V47 WeakPolarHBondContact O-CG1 3.38Å; D44-V47 VanDerWaalsContact O-CG2 3.32Å; D44-V47 WeakPolarHBondContact O-CG2 3.35Å; D44-V47 PolarHBondContact O-N 2.9Å; D44-K49 PolarHBondContact O-NZ 2.88Å; D44-K49 VanDerWaalsContact O-NZ 3.12Å; D44-T122 HydrophobicContact CB-CG2 3.69Å; D44-S125 WeakPolarHBondContact OD1-CB 3.2Å; D44-S125 PolarHBondContact OD1-OG 3.5Å; D44-S125 WeakPolarHBondContact OD2-CB 3.31Å; D44-S125 PolarHBondContact OD2-OG 3.09Å; D44-W130 PolarHBondContact OD1-NE1 3.44Å
45K96.1Very high97.1Very high101 Ų10122.7 Ų22.744%0.43912%0.123SC..THydrogen-bonded Turntrans-56.6142.9169.366.5-175.4179.9-175.20110.1V47 G93 R119K45-V47 PolarHBondContact O-N 3.03Å; K45-G93 PolarHBondContact N-O 3.36Å; K45-R119 PolarHBondContact O-NH1 3.38Å
46Q95.8Very high97.3Very high113 Ų11323.4 Ų23.453%0.52812%0.123SC..THydrogen-bonded Turntrans59.624.3176.4-55.1173.49.400115.4G48 Y65 R119Q46-G48 VanDerWaalsContact C-N 3.32Å; Q46-Y65 HydrophobicContact CG-CD1 3.77Å; Q46-Y65 HydrophobicContact CG-CD2 3.87Å; Q46-Y65 HydrophobicContact CG-CE1 3.53Å; Q46-Y65 HydrophobicContact CG-CE2 3.67Å; Q46-Y65 HydrophobicContact CG-CG 3.92Å; Q46-Y65 VanDerWaalsContact CG-CZ 3.48Å; Q46-Y65 VanDerWaalsContact NE2-CE1 3.35Å; Q46-R119 PolarHBondContact O-NH1 3.26Å
47V97.7Very high97.2Very high2 Ų221.4 Ų21.41%0.01211%0.111CC..SBendtrans-76.1-22.1168.3-61.80000112.7D44 K45 K49 C114 T122 C202D44-V47 HydrophobicContact CB-CG1 3.76Å; D44-V47 WeakPolarHBondContact O-CG1 3.38Å; D44-V47 VanDerWaalsContact O-CG2 3.32Å; D44-V47 WeakPolarHBondContact O-CG2 3.35Å; D44-V47 PolarHBondContact O-N 2.9Å; K45-V47 PolarHBondContact O-N 3.03Å; V47-K49 HydrophobicContact CG2-CD 4.2Å; V47-K49 HydrophobicContact CG2-CG 3.55Å; V47-C114 HydrophobicContact CG2-CB 3.87Å; V47-T122 HydrophobicContact CG1-CG2 3.69Å; V47-C202 WeakPolarHBondContact O-CB 3.47Å
48G97.2Very high97.1Very high20 Ų2025 Ų2521%0.20614%0.135CC..SBendtrans115.316179.900000115.7Q46 S51 L52Q46-G48 VanDerWaalsContact C-N 3.32Å; G48-S51 PolarHBondContact O-N 3.05Å; G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.23Å
49K98Very high96.8Very high10 Ų1029.1 Ų29.14%0.04316%0.159CC..Hα-helixtrans-57.1-56.9179.8-54.1-170-57-72.10112.5L41 G43 D44 V47 S51 L52 V53 D90 T91 C114L41-K49 HydrophobicContact CB-CB 4.22Å; L41-K49 HydrophobicContact CB-CD 4.13Å; L41-K49 HydrophobicContact CB-CG 4.4Å; L41-K49 HydrophobicContact CD2-CB 4.09Å; G43-K49 PolarHBondContact O-NZ 3.05Å; D44-K49 PolarHBondContact O-NZ 2.88Å; D44-K49 VanDerWaalsContact O-NZ 3.12Å; V47-K49 HydrophobicContact CG2-CD 4.2Å; V47-K49 HydrophobicContact CG2-CG 3.55Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 2.99Å; K49-L52 WeakPolarHBondContact O-CA 3.5Å; K49-L52 VanDerWaalsContact O-CB 3.29Å; K49-L52 WeakPolarHBondContact O-CB 3.33Å; K49-L52 PolarHBondContact O-N 3.15Å; K49-V53 WeakPolarHBondContact O-CG2 3.38Å; K49-V53 PolarHBondContact O-N 3.12Å; K49-D90 WeakPolarHBondContact CB-OD1 3.45Å; K49-T91 WeakPolarHBondContact CE-O 3.47Å; K49-T91 PolarHBondContact NZ-O 3.01Å; K49-C114 HydrophobicContact CD-CB 4.24Å; K49-C114 HydrophobicContact CG-CB 3.87Å
50T97.1Very high96.5Very high36 Ų3634 Ų3422%0.22119%0.185CC..Hα-helixtrans-59.4-43.3177.7-42.60000112.1L52 V53 V54 S68 D90T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.99Å; T50-V53 PolarHBondContact O-N 3.35Å; T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.37Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.38Å; T50-V54 PolarHBondContact O-N 2.68Å; T50-S68 PolarHBondContact OG1-OG 3.41Å; T50-D90 WeakPolarHBondContact CA-OD2 3.29Å; T50-D90 VanDerWaalsContact CB-OD2 3.22Å; T50-D90 WeakPolarHBondContact CB-OD2 3.49Å; T50-D90 WeakPolarHBondContact CG2-OD2 3.26Å; T50-D90 PolarHBondContact N-OD1 3.35Å; T50-D90 PolarHBondContact OG1-OD2 3.15Å
51S97.6Very high96.2Very high20 Ų2038.6 Ų38.614%0.1420%0.203CC..Hα-helixtrans-60.3-39175.3-53.20000112.1G48 K49 S55 A246G48-S51 PolarHBondContact O-N 3.05Å; K49-S51 VanDerWaalsContact C-N 3.33Å; K49-S51 PolarHBondContact O-N 2.99Å; S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.05Å; S51-A246 WeakPolarHBondContact O-CB 3.48Å
52L97.7Very high95.7Very high1 Ų140.6 Ų40.61%0.00522%0.216CC..Hα-helixtrans-64.9-43.6177-17169.4000111.4L41 G48 K49 T50 Y56 I200 L252 V255 F256L41-L52 HydrophobicContact CD2-CB 4.48Å; L41-L52 HydrophobicContact CD2-CD2 4Å; G48-L52 WeakPolarHBondContact O-CB 3.38Å; G48-L52 PolarHBondContact O-N 3.23Å; K49-L52 WeakPolarHBondContact O-CA 3.5Å; K49-L52 VanDerWaalsContact O-CB 3.29Å; K49-L52 WeakPolarHBondContact O-CB 3.33Å; K49-L52 PolarHBondContact O-N 3.15Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.99Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 2.74Å; L52-Y56 VanDerWaalsContact O-N 3.13Å; L52-I200 HydrophobicContact CD2-CG2 4.32Å; L52-L252 HydrophobicContact CD1-CD1 3.43Å; L52-L252 VanDerWaalsContact CD1-CD1 3.43Å; L52-L252 HydrophobicContact CG-CD1 4.23Å; L52-V255 HydrophobicContact CD2-CG1 4.26Å; L52-F256 HydrophobicContact CG-CE2 4.01Å; L52-F256 HydrophobicContact CG-CZ 4.23Å
53V97.3Very high95.3Very high0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-65.2-53.3177.2179.50000110.9L41 K49 T50 S55 Y56 T57 F73 I88 D90L41-V53 HydrophobicContact CD1-CG2 4.03Å; L41-V53 HydrophobicContact CD2-CG2 3.67Å; L41-V53 HydrophobicContact CG-CG2 4.49Å; K49-V53 WeakPolarHBondContact O-CG2 3.38Å; K49-V53 PolarHBondContact O-N 3.12Å; T50-V53 PolarHBondContact O-N 3.35Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.15Å; V53-Y56 PolarHBondContact O-N 3.02Å; V53-Y56 VanDerWaalsContact O-N 3.09Å; V53-T57 HydrophobicContact CG1-CG2 4.02Å; V53-T57 WeakPolarHBondContact O-CG2 3.22Å; V53-T57 PolarHBondContact O-N 3.4Å; V53-T57 PolarHBondContact O-OG1 3.2Å; V53-F73 HydrophobicContact CG1-CB 4.39Å; V53-F73 HydrophobicContact CG1-CD1 4.38Å; V53-F73 HydrophobicContact CG1-CD2 3.36Å; V53-F73 HydrophobicContact CG1-CE2 3.59Å; V53-F73 HydrophobicContact CG1-CG 3.8Å; V53-F73 HydrophobicContact CG1-CZ 4.21Å; V53-I88 HydrophobicContact CG1-CG2 4.05Å; V53-I88 HydrophobicContact CG2-CG2 3.69Å; V53-D90 HydrophobicContact CG2-CB 4.13Å
54V96.4Very high94.9Very high31 Ų3152.5 Ų52.519%0.18829%0.29CS..Hα-helixtrans-58.6-43.1-179.7172.90000111.7T50 Y56 T57 S58 D60T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.37Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.38Å; T50-V54 PolarHBondContact O-N 2.68Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.44Å; V54-T57 PolarHBondContact O-N 3.36Å; V54-S58 WeakPolarHBondContact O-CA 3.43Å; V54-S58 WeakPolarHBondContact O-CB 3.31Å; V54-S58 PolarHBondContact O-N 2.93Å; V54-D60 HydrophobicContact CG1-CB 4.3Å
55S97Very high94.4Very high1 Ų156.4 Ų56.41%0.00730%0.304CS..Hα-helixtrans-61.8-39.8177.5-172.60000112S51 V53 N59 D60 A246 L252S51-S55 WeakPolarHBondContact O-CB 3.42Å; S51-S55 PolarHBondContact O-N 3.05Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.15Å; S55-N59 VanDerWaalsContact O-CA 3.27Å; S55-N59 WeakPolarHBondContact O-CA 3.46Å; S55-N59 PolarHBondContact O-N 3.31Å; S55-N59 VanDerWaalsContact O-N 3.1Å; S55-D60 WeakPolarHBondContact CA-O 3.5Å; S55-D60 WeakPolarHBondContact CB-O 3.33Å; S55-D60 PolarHBondContact N-O 3.38Å; S55-A246 WeakPolarHBondContact CB-O 3.42Å; S55-A246 PolarHBondContact OG-O 3.15Å; S55-L252 VanDerWaalsContact OG-CD2 3.3Å; S55-L252 WeakPolarHBondContact OG-CD2 3.28Å
56Y96.8Very high94.1Very high43 Ų4361 Ų6117%0.16932%0.318CS..Hα-helixtrans-73.9-43.9177.5-179.1-109.3000113.3L52 V53 V54 V75 L86 I88 L252 F256L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 2.74Å; L52-Y56 VanDerWaalsContact O-N 3.13Å; V53-Y56 PolarHBondContact O-N 3.02Å; V53-Y56 VanDerWaalsContact O-N 3.09Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.44Å; Y56-V75 HydrophobicContact CE1-CG1 4.41Å; Y56-V75 HydrophobicContact CE1-CG2 4.23Å; Y56-L86 HydrophobicContact CE1-CD2 4.08Å; Y56-I88 HydrophobicContact CD1-CD1 3.74Å; Y56-I88 HydrophobicContact CE1-CD1 3.91Å; Y56-L252 HydrophobicContact CD2-CG 4.37Å; Y56-F256 HydrophobicContact CD1-CB 4.44Å; Y56-F256 AromaticContact CD1-CD1 3.94Å; Y56-F256 HydrophobicContact CD1-CD1 3.94Å; Y56-F256 AromaticContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CE1 4.07Å; Y56-F256 AromaticContact CD1-CE2 3.88Å; Y56-F256 HydrophobicContact CD1-CE2 3.88Å; Y56-F256 AromaticContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CZ 4.04Å; Y56-F256 HydrophobicContact CD2-CB 4.05Å; Y56-F256 AromaticContact CD2-CD2 3.3Å; Y56-F256 HydrophobicContact CD2-CD2 3.3Å; Y56-F256 AromaticContact CD2-CE2 3.92Å; Y56-F256 HydrophobicContact CD2-CE2 3.92Å; Y56-F256 AromaticContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CE1-CB 4Å; Y56-F256 AromaticContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD2 4.17Å; Y56-F256 HydrophobicContact CE1-CE1 4.5Å; Y56-F256 AromaticContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE2-CB 3.56Å; Y56-F256 AromaticContact CE2-CD2 3.79Å; Y56-F256 HydrophobicContact CE2-CD2 3.79Å; Y56-F256 AromaticContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CG-CB 4.45Å; Y56-F256 HydrophobicContact CG-CD1 4.33Å; Y56-F256 AromaticContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CE1 4.45Å; Y56-F256 AromaticContact CG-CE2 3.42Å; Y56-F256 HydrophobicContact CG-CE2 3.42Å; Y56-F256 VanDerWaalsContact CG-CE2 3.42Å; Y56-F256 AromaticContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CZ 4.03Å; Y56-F256 AromaticContact CZ-CG 3.78Å
57T94.8Very high93.8Very high16 Ų1659.4 Ų59.410%0.09832%0.318CS..Hα-helixtrans-81-22.4-173.7590000113.2V53 V54 F73 V75 I88 I314V53-T57 HydrophobicContact CG1-CG2 4.02Å; V53-T57 WeakPolarHBondContact O-CG2 3.22Å; V53-T57 PolarHBondContact O-N 3.4Å; V53-T57 PolarHBondContact O-OG1 3.2Å; V54-T57 PolarHBondContact O-N 3.36Å; T57-F73 HydrophobicContact CG2-CB 4.09Å; T57-F73 HydrophobicContact CG2-CD1 4.39Å; T57-F73 HydrophobicContact CG2-CG 4.36Å; T57-V75 HydrophobicContact CG2-CG2 3.86Å; T57-I88 HydrophobicContact CG2-CD1 4.16Å; T57-I314 WeakPolarHBondContact O-CD1 3.25Å
58S93.4Very high93.4Very high74 Ų7460.1 Ų60.152%0.51732%0.323SS..Hα-helixtrans-133.9-0.5-168.7-53.20000113.8V54 D60V54-S58 WeakPolarHBondContact O-CA 3.43Å; V54-S58 WeakPolarHBondContact O-CB 3.31Å; V54-S58 PolarHBondContact O-N 2.93Å; S58-D60 PolarHBondContact O-N 2.86Å; S58-D60 VanDerWaalsContact O-N 3.16Å
59N91.5Very high93.1Very high120 Ų12061.2 Ų61.264%0.64233%0.329SS*.SBendtrans50.932-172.2-66.9-47.9000112.7S55S55-N59 VanDerWaalsContact O-CA 3.27Å; S55-N59 WeakPolarHBondContact O-CA 3.46Å; S55-N59 PolarHBondContact O-N 3.31Å; S55-N59 VanDerWaalsContact O-N 3.1Å
60D92.4Very high92.9Very high103 Ų10363.3 Ų63.355%0.55134%0.341SS*.  trans-126.1167.7-175.5-1659.8000110.8V54 S55 S58V54-D60 HydrophobicContact CG1-CB 4.3Å; S55-D60 WeakPolarHBondContact CA-O 3.5Å; S55-D60 WeakPolarHBondContact CB-O 3.33Å; S55-D60 PolarHBondContact N-O 3.38Å; S58-D60 PolarHBondContact O-N 2.86Å; S58-D60 VanDerWaalsContact O-N 3.16Å
61Y90.3Very high92.8Very high96 Ų9665.1 Ų65.138%0.37635%0.349SS..  trans-137125177.3-175.3-88.4000110.6A63 A246 L247Y61-A63 PolarHBondContact O-N 3.37Å; Y61-A246 HydrophobicContact CD2-CB 4.02Å; Y61-A246 HydrophobicContact CE2-CB 3.9Å; Y61-L247 HydrophobicContact CD1-CD1 3.91Å; Y61-L247 HydrophobicContact CD2-CB 4.12Å; Y61-L247 HydrophobicContact CD2-CD1 4.37Å; Y61-L247 HydrophobicContact CE1-CD1 4.14Å; Y61-L247 HydrophobicContact CE2-CB 3.91Å; Y61-L247 HydrophobicContact CG-CD1 4.02Å
62P89.5Confident92.7Very high41 Ų4167.8 Ų67.827%0.26637%0.365SS..  trans-66.6121.3-176.927.3-33.5000110.6E64P62-E64 VanDerWaalsContact C-N 3.25Å; P62-E64 PolarHBondContact O-N 3.4Å
63A87.6Confident92.6Very high105 Ų10570.9 Ų70.987%0.86838%0.378SS*.SBendtrans-65.7-29.1178.600000112.9Y61Y61-A63 PolarHBondContact O-N 3.37Å
64E90.3Very high92.4Very high146 Ų14674.5 Ų74.568%0.68240%0.403SS*.SBendtrans-125.9145.7-179-67.2-178175.900111.3P62 R66P62-E64 VanDerWaalsContact C-N 3.25Å; P62-E64 PolarHBondContact O-N 3.4Å; E64-R66 PolarHBondContact O-N 3.31Å
65Y87.5Confident92.4Very high106 Ų10674.1 Ų74.142%0.41640%0.4SS..  trans-76.2121.2175.3173.6-112.3000111.2Q46 P67Q46-Y65 HydrophobicContact CG-CD1 3.77Å; Q46-Y65 HydrophobicContact CG-CD2 3.87Å; Q46-Y65 HydrophobicContact CG-CE1 3.53Å; Q46-Y65 HydrophobicContact CG-CE2 3.67Å; Q46-Y65 HydrophobicContact CG-CG 3.92Å; Q46-Y65 VanDerWaalsContact CG-CZ 3.48Å; Q46-Y65 VanDerWaalsContact NE2-CE1 3.35Å; Y65-P67 HydrophobicContact CE1-CB 4.38Å; Y65-P67 HydrophobicContact CE1-CG 3.72Å
66R89.5Confident92.2Very high197 Ų19779 Ų7974%0.74342%0.423SS*.  trans-115.6125.2166.4-65-174.2-180-173.60.8109.3E64 S68E64-R66 PolarHBondContact O-N 3.31Å; R66-S68 PolarHBondContact O-N 2.93Å
67P89.5Confident92.1Very high80 Ų8078.3 Ų78.352%0.51942%0.423SS..  trans-65.1125.2177-18.929.4000112.4Y65Y65-P67 HydrophobicContact CE1-CB 4.38Å; Y65-P67 HydrophobicContact CE1-CG 3.72Å
68S89.8Confident92Very high17 Ų1782.5 Ų82.512%0.11945%0.452CS..  trans-79.3149.2170.3-40.70000111.4T50 R66 D90 G92T50-S68 PolarHBondContact OG1-OG 3.41Å; R66-S68 PolarHBondContact O-N 2.93Å; S68-D90 WeakPolarHBondContact CB-OD2 3.49Å; S68-D90 PolarHBondContact OG-OD2 3.38Å; S68-G92 WeakPolarHBondContact O-CA 3.46Å
69A91.5Very high91.9Very high42 Ų4280.2 Ų80.235%0.34744%0.438SS..SBendtrans-95.2-66.1164.200000109.7G92 V97 L100A69-G92 PolarHBondContact O-N 3.4Å; A69-V97 HydrophobicContact CB-CG1 4Å; A69-L100 HydrophobicContact CB-CD1 4.27Å
70L94.1Very high91.8Very high54 Ų5482 Ų8228%0.28345%0.447SS..EExtended strand (participates in β ladder)trans-159.8121.4169.6173.465.4000107.6C89 D90 T91 L100L70-C89 HydrophobicContact CD1-CB 4.2Å; L70-D90 CarbonylContact C-O 3.53Å; L70-D90 WeakPolarHBondContact CA-O 3.11Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; L70-L100 HydrophobicContact CB-CB 4.39Å; L70-L100 HydrophobicContact CD2-CB 4.43Å
71D94Very high91.6Very high75 Ų7583.8 Ų83.840%0.40146%0.462SS..EExtended strand (participates in β ladder)trans-123.3138.8173.9-65.1-64.6000109.1F73 C89 D90D71-F73 HydrophobicContact CB-CD2 4.42Å; D71-F73 HydrophobicContact CB-CE2 3.58Å; D71-F73 HydrophobicContact CB-CZ 4.07Å; D71-C89 CarbonylContact O-C 3.45Å; D71-C89 WeakPolarHBondContact O-CA 2.96Å; D71-D90 HydrophobicContact CB-CB 4.46Å; D71-D90 PolarHBondContact N-O 2.92Å; D71-D90 PolarHBondContact O-N 2.83Å
72T95Very high91.6Very high76 Ų7682.6 Ų82.647%0.46646%0.457SS..EExtended strand (participates in β ladder)trans-118.7121.4177.9-60.50000110.1I88T72-I88 WeakPolarHBondContact CA-O 3.37Å
73F95.8Very high91.9Very high66 Ų6682.7 Ų82.729%0.28946%0.458SS..EExtended strand (participates in β ladder)trans-109.1141178.3-58.1-98.4000109.3V53 T57 D71 Q87 I88 D90V53-F73 HydrophobicContact CG1-CB 4.39Å; V53-F73 HydrophobicContact CG1-CD1 4.38Å; V53-F73 HydrophobicContact CG1-CD2 3.36Å; V53-F73 HydrophobicContact CG1-CE2 3.59Å; V53-F73 HydrophobicContact CG1-CG 3.8Å; V53-F73 HydrophobicContact CG1-CZ 4.21Å; T57-F73 HydrophobicContact CG2-CB 4.09Å; T57-F73 HydrophobicContact CG2-CD1 4.39Å; T57-F73 HydrophobicContact CG2-CG 4.36Å; D71-F73 HydrophobicContact CB-CD2 4.42Å; D71-F73 HydrophobicContact CB-CE2 3.58Å; D71-F73 HydrophobicContact CB-CZ 4.07Å; F73-Q87 CarbonylContact O-C 3.52Å; F73-Q87 WeakPolarHBondContact O-CA 3.41Å; F73-I88 HydrophobicContact CB-CB 4.35Å; F73-I88 PolarHBondContact N-O 3.09Å; F73-I88 PolarHBondContact O-N 3.27Å; F73-D90 HydrophobicContact CE2-CB 4.32Å
74C94.6Very high92.3Very high76 Ų7677.8 Ų77.851%0.51442%0.417SS..EExtended strand (participates in β ladder)trans-115.8123.3176.8-66.40000109.2L86C74-L86 WeakPolarHBondContact CA-O 3.48Å
75V94.8Very high92.6Very high22 Ų2273.9 Ų73.913%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-120.8129.1176.4-170.80000108.6Y56 T57 V77 L86 I88Y56-V75 HydrophobicContact CE1-CG1 4.41Å; Y56-V75 HydrophobicContact CE1-CG2 4.23Å; T57-V75 HydrophobicContact CG2-CG2 3.86Å; V75-V77 HydrophobicContact CG1-CG1 3.76Å; V75-L86 PolarHBondContact N-O 3.44Å; V75-L86 PolarHBondContact O-N 3Å; V75-I88 HydrophobicContact CG2-CD1 3.96Å
76E94.7Very high93.1Very high103 Ų10368.9 Ų68.948%0.48138%0.379SS..EExtended strand (participates in β ladder)trans-89.4123.6171.9-62.1-177.4-178.300108.8V84 H85E76-V84 WeakPolarHBondContact CA-O 3.34Å; E76-H85 IonicContact OE1-NE2 3.19Å
77V94.1Very high93.5Very high29 Ų2962.6 Ų62.618%0.17636%0.358CS..EExtended strand (participates in β ladder)trans-136.4155.1-179.4-60.40000110.2V75 V84 I260V75-V77 HydrophobicContact CG1-CG1 3.76Å; V77-V84 HydrophobicContact CG2-CB 3.82Å; V77-V84 HydrophobicContact CG2-CG1 4.32Å; V77-V84 PolarHBondContact N-O 3.03Å; V77-V84 PolarHBondContact O-N 3.21Å; V77-I260 HydrophobicContact CB-CD1 4.48Å; V77-I260 HydrophobicContact CG2-CD1 3.66Å; V77-I260 HydrophobicContact CG2-CG1 4.23Å
78C92.7Very high93.9Very high105 Ų10558.8 Ų58.871%0.70933%0.333SS*.EExtended strand (participates in β ladder)trans-108117.9173.3-71.60000109.7R82C78-R82 WeakPolarHBondContact CA-O 3.4Å
79A91.6Very high94.2Very high26 Ų2658.1 Ų58.122%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-109.9116.4174.200000109T81 R82 V84 I260 L264A79-T81 VanDerWaalsContact C-N 3.28Å; A79-T81 PolarHBondContact O-N 3Å; A79-R82 PolarHBondContact N-O 2.92Å; A79-R82 WeakPolarHBondContact O-CA 3.33Å; A79-R82 WeakPolarHBondContact O-CB 3.46Å; A79-R82 PolarHBondContact O-N 3.44Å; A79-V84 HydrophobicContact CB-CG2 4.08Å; A79-I260 HydrophobicContact CB-CG2 3.84Å; A79-L264 HydrophobicContact CB-CD1 3.84Å
80D88.3Confident94.5Very high157 Ų15756.1 Ų56.184%0.8431%0.312SS*.THydrogen-bonded Turntrans47.247.9-176.5-63.3-31000113.4R82D80-R82 PolarHBondContact O-N 3.47Å; D80-R82 VanDerWaalsContact O-N 3.15Å
81T87.5Confident94.5Very high141 Ų14153.6 Ų53.687%0.86530%0.299SS*.THydrogen-bonded Turntrans67.2-0.4-176.170.70000116.1A79A79-T81 VanDerWaalsContact C-N 3.28Å; A79-T81 PolarHBondContact O-N 3Å
82R91.6Very high94.4Very high71 Ų7150.1 Ų50.127%0.26828%0.281SS..EExtended strand (participates in β ladder)trans-86122.2172.2-174.5-177.4-176.9169.13.3110T35 C78 A79 D80 D268T35-R82 VanDerWaalsContact CG2-NH2 3.31Å; T35-R82 VanDerWaalsContact OG1-CZ 3.26Å; T35-R82 PolarHBondContact OG1-NE 3Å; T35-R82 PolarHBondContact OG1-NH2 2.91Å; C78-R82 WeakPolarHBondContact CA-O 3.4Å; A79-R82 PolarHBondContact N-O 2.92Å; A79-R82 WeakPolarHBondContact O-CA 3.33Å; A79-R82 WeakPolarHBondContact O-CB 3.46Å; A79-R82 PolarHBondContact O-N 3.44Å; D80-R82 PolarHBondContact O-N 3.47Å; D80-R82 VanDerWaalsContact O-N 3.15Å; R82-D268 IonicContact CZ-OD1 2.76Å; R82-D268 VanDerWaalsContact NH1-CG 3.26Å; R82-D268 IonicContact NH1-OD1 3.48Å; R82-D268 PolarHBondContact NH1-OD1 3.5Å; R82-D268 IonicContact NH1-OD2 2.69Å; R82-D268 PolarHBondContact NH1-OD2 2.79Å; R82-D268 IonicContact NH2-OD1 3.52Å; R82-D268 PolarHBondContact NH2-OD1 3.41Å
83P95.3Very high94.1Very high43 Ų4347.2 Ų47.228%0.27927%0.266SS..EExtended strand (participates in β ladder)trans-69.1132.5171.327.6-31.8000110.2N32 P34 T35N32-P83 WeakPolarHBondContact O-CG 3.33Å; P34-P83 WeakPolarHBondContact CA-O 3.44Å; P34-P83 HydrophobicContact CB-CB 4.2Å; T35-P83 PolarHBondContact N-O 2.98Å
84V96.7Very high93.8Very high1 Ų148.2 Ų48.21%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-128.2129.4-176.6-175.60000109.4T35 V37 E76 V77 A79 I260 L264T35-V84 CarbonylContact O-C 3.56Å; T35-V84 VanDerWaalsContact O-CA 3.29Å; T35-V84 WeakPolarHBondContact O-CA 3.45Å; T35-V84 WeakPolarHBondContact O-CG1 3.31Å; V37-V84 HydrophobicContact CB-CG1 4.15Å; V37-V84 HydrophobicContact CG2-CG1 3.85Å; E76-V84 WeakPolarHBondContact CA-O 3.34Å; V77-V84 HydrophobicContact CG2-CB 3.82Å; V77-V84 HydrophobicContact CG2-CG1 4.32Å; V77-V84 PolarHBondContact N-O 3.03Å; V77-V84 PolarHBondContact O-N 3.21Å; A79-V84 HydrophobicContact CB-CG2 4.08Å; V84-I260 HydrophobicContact CG1-CG2 4.34Å; V84-I260 HydrophobicContact CG2-CG2 4.4Å; V84-L264 HydrophobicContact CG1-CD2 4.37Å; V84-L264 HydrophobicContact CG2-CD1 4.09Å; V84-L264 HydrophobicContact CG2-CD2 3.88Å; V84-L264 HydrophobicContact CG2-CG 4.41Å
85H96.4Very high93.6Very high65 Ų6552.4 Ų52.430%0.30128%0.282SS..EExtended strand (participates in β ladder)trans-94.198.5167.8-74.5-172.4000108.6P34 T35 T36 V37 E76 Q87P34-H85 WeakPolarHBondContact CB-CD2 3.48Å; P34-H85 WeakPolarHBondContact CB-NE2 3.32Å; P34-H85 WeakPolarHBondContact CG-CE1 3.44Å; P34-H85 WeakPolarHBondContact CG-NE2 3.03Å; T35-H85 PolarHBondContact O-N 3.21Å; T36-H85 CarbonylContact C-O 3.59Å; T36-H85 WeakPolarHBondContact CA-O 3.14Å; V37-H85 PolarHBondContact N-O 3.2Å; E76-H85 IonicContact OE1-NE2 3.19Å; H85-Q87 PolarHBondContact O-N 3.47Å
86L97.3Very high93.4Very high0 Ų058.3 Ų58.30%031%0.309CS..EExtended strand (participates in β ladder)trans-83.8110.7177.2-17965.1000109.6V37 Y56 C74 V75 I88 F256 I260V37-L86 HydrophobicContact CB-CD1 4.21Å; V37-L86 HydrophobicContact CG1-CD1 3.84Å; V37-L86 CarbonylContact O-C 3.51Å; V37-L86 WeakPolarHBondContact O-CA 3.15Å; Y56-L86 HydrophobicContact CE1-CD2 4.08Å; C74-L86 WeakPolarHBondContact CA-O 3.48Å; V75-L86 PolarHBondContact N-O 3.44Å; V75-L86 PolarHBondContact O-N 3Å; L86-I88 HydrophobicContact CD2-CD1 3.94Å; L86-I88 HydrophobicContact CD2-CG1 3.94Å; L86-I88 HydrophobicContact CG-CD1 4.3Å; L86-I88 HydrophobicContact CG-CG1 3.79Å; L86-F256 HydrophobicContact CD2-CD1 4.15Å; L86-I260 HydrophobicContact CD1-CG1 4.16Å; L86-I260 HydrophobicContact CD2-CD1 4.18Å; L86-I260 HydrophobicContact CD2-CG1 3.96Å
87Q97.7Very high93.2Very high66 Ų6654.8 Ų54.831%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-91117.6169.1-66.2-178.5-3.800109.2T36 V37 K38 C39 F73 H85T36-Q87 HydrophobicContact CG2-CG 4.1Å; V37-Q87 PolarHBondContact O-N 3.45Å; K38-Q87 CarbonylContact C-O 3.59Å; K38-Q87 WeakPolarHBondContact CA-O 3.46Å; K38-Q87 HydrophobicContact CB-CB 4.36Å; K38-Q87 HydrophobicContact CG-CB 4.38Å; C39-Q87 PolarHBondContact N-O 2.74Å; F73-Q87 CarbonylContact O-C 3.52Å; F73-Q87 WeakPolarHBondContact O-CA 3.41Å; H85-Q87 PolarHBondContact O-N 3.47Å
88I97.9Very high93Very high0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-108.9111.4-179-51.1172.4000108.2L41 V53 Y56 T57 T72 F73 V75 L86 F256L41-I88 HydrophobicContact CD1-CG2 3.55Å; V53-I88 HydrophobicContact CG1-CG2 4.05Å; V53-I88 HydrophobicContact CG2-CG2 3.69Å; Y56-I88 HydrophobicContact CD1-CD1 3.74Å; Y56-I88 HydrophobicContact CE1-CD1 3.91Å; T57-I88 HydrophobicContact CG2-CD1 4.16Å; T72-I88 WeakPolarHBondContact CA-O 3.37Å; F73-I88 HydrophobicContact CB-CB 4.35Å; F73-I88 PolarHBondContact N-O 3.09Å; F73-I88 PolarHBondContact O-N 3.27Å; V75-I88 HydrophobicContact CG2-CD1 3.96Å; L86-I88 HydrophobicContact CD2-CD1 3.94Å; L86-I88 HydrophobicContact CD2-CG1 3.94Å; L86-I88 HydrophobicContact CG-CD1 4.3Å; L86-I88 HydrophobicContact CG-CG1 3.79Å; I88-F256 HydrophobicContact CD1-CD1 4.12Å; I88-F256 HydrophobicContact CD1-CE1 3.71Å; I88-F256 HydrophobicContact CD1-CZ 4.43Å; I88-F256 HydrophobicContact CG1-CE1 4.23Å; I88-F256 HydrophobicContact CG2-CE1 4.12Å
89C97.2Very high92.9Very high3 Ų354 Ų542%0.0229%0.291CS..EExtended strand (participates in β ladder)trans-94.9107.3174.8-60.40000110.2C39 I40 L41 L70 D71C39-C89 PolarHBondContact O-N 3.3Å; I40-C89 HydrophobicContact CB-CB 4.37Å; I40-C89 HydrophobicContact CG1-CB 4.06Å; I40-C89 HydrophobicContact CG2-CB 4.22Å; L41-C89 PolarHBondContact N-O 3.31Å; L70-C89 HydrophobicContact CD1-CB 4.2Å; D71-C89 CarbonylContact O-C 3.45Å; D71-C89 WeakPolarHBondContact O-CA 2.96Å
90D96.5Very high92.9Very high0 Ų056.6 Ų56.60%030%0.301CS..EExtended strand (participates in β ladder)trans-81.6116.8167.6-175.932.5000109.2K49 T50 V53 S68 L70 D71 F73K49-D90 WeakPolarHBondContact CB-OD1 3.45Å; T50-D90 WeakPolarHBondContact CA-OD2 3.29Å; T50-D90 VanDerWaalsContact CB-OD2 3.22Å; T50-D90 WeakPolarHBondContact CB-OD2 3.49Å; T50-D90 WeakPolarHBondContact CG2-OD2 3.26Å; T50-D90 PolarHBondContact N-OD1 3.35Å; T50-D90 PolarHBondContact OG1-OD2 3.15Å; V53-D90 HydrophobicContact CG2-CB 4.13Å; S68-D90 WeakPolarHBondContact CB-OD2 3.49Å; S68-D90 PolarHBondContact OG-OD2 3.38Å; L70-D90 CarbonylContact C-O 3.53Å; L70-D90 WeakPolarHBondContact CA-O 3.11Å; D71-D90 HydrophobicContact CB-CB 4.46Å; D71-D90 PolarHBondContact N-O 2.92Å; D71-D90 PolarHBondContact O-N 2.83Å; F73-D90 HydrophobicContact CE2-CB 4.32Å
91T95.1Very high93.2Very high0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-106.7143-177.676.40000111I40 L41 I42 K49 L70 R101I40-T91 HydrophobicContact CG2-CG2 3.53Å; L41-T91 WeakPolarHBondContact O-CB 3.37Å; L41-T91 WeakPolarHBondContact O-CG2 3.31Å; L41-T91 PolarHBondContact O-OG1 2.97Å; I42-T91 HydrophobicContact CG2-CG2 4.48Å; K49-T91 WeakPolarHBondContact CE-O 3.47Å; K49-T91 PolarHBondContact NZ-O 3.01Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; T91-R101 HydrophobicContact CG2-CG 3.99Å; T91-R101 WeakPolarHBondContact OG1-CD 3.24Å
92G91.8Very high93.4Very high2 Ų245 Ų452%0.02123%0.232CC..  trans-62.5142.8173.600000111.8S68 A69 K94 R101S68-G92 WeakPolarHBondContact O-CA 3.46Å; A69-G92 PolarHBondContact O-N 3.4Å; G92-K94 PolarHBondContact O-N 2.89Å; G92-R101 PolarHBondContact O-NH1 3.42Å
93G87.8Confident93.3Very high16 Ų1647.2 Ų47.217%0.16525%0.248CC..SBendtrans-87.619.9179.100000114.4G43 K45G43-G93 VanDerWaalsContact O-CA 3.32Å; G43-G93 WeakPolarHBondContact O-CA 3.45Å; K45-G93 PolarHBondContact N-O 3.36Å
94K89.8Confident93.1Very high86 Ų8645.5 Ų45.537%0.37424%0.237SC..SBendtrans-112.4147.4-171.7-95.8-168.9-176.4-168.50109.7G92 E96 V97 R101G92-K94 PolarHBondContact O-N 2.89Å; K94-E96 VanDerWaalsContact C-N 3.28Å; K94-E96 WeakPolarHBondContact CB-OE2 3.3Å; K94-E96 PolarHBondContact O-N 2.85Å; K94-V97 HydrophobicContact CB-CG2 4.3Å; K94-V97 WeakPolarHBondContact O-CG2 3.41Å; K94-R101 PolarHBondContact O-NH1 3.28Å
95E90.5Very high93Very high164 Ų16445.5 Ų45.577%0.76624%0.237SC*.G310 helixtrans-70.5-30.3-178.5-172.6175.3-169.400111.4V97 S98E95-V97 PolarHBondContact O-N 3Å; E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.02Å; E95-S98 PolarHBondContact O-OG 2.86Å
96E90.9Very high92.7Very high147 Ų14745.5 Ų45.569%0.68724%0.239SC*.G310 helixtrans-61.9-19.1-179.1-55.792.8147.100113.1K94K94-E96 VanDerWaalsContact C-N 3.28Å; K94-E96 WeakPolarHBondContact CB-OE2 3.3Å; K94-E96 PolarHBondContact O-N 2.85Å
97V90.3Very high92.4Very high28 Ų2849.3 Ų49.317%0.1726%0.259CS..G310 helixtrans-11014.4176.9-590000112.7A69 K94 E95 S99 L100 R101A69-V97 HydrophobicContact CB-CG1 4Å; K94-V97 HydrophobicContact CB-CG2 4.3Å; K94-V97 WeakPolarHBondContact O-CG2 3.41Å; E95-V97 PolarHBondContact O-N 3Å; V97-S99 VanDerWaalsContact C-N 3.32Å; V97-S99 PolarHBondContact O-N 2.86Å; V97-L100 PolarHBondContact O-N 2.96Å; V97-R101 PolarHBondContact O-N 2.98Å
98S91Very high92.3Very high30 Ų3046.2 Ų46.221%0.2125%0.245CC..Hα-helixtrans-55.3-44.2177.856.20000112E95 L100 R101 H102E95-S98 WeakPolarHBondContact O-CB 3.43Å; E95-S98 PolarHBondContact O-N 3.02Å; E95-S98 PolarHBondContact O-OG 2.86Å; S98-L100 PolarHBondContact O-N 2.94Å; S98-R101 CarbonylContact O-C 3.59Å; S98-R101 WeakPolarHBondContact O-CA 3.34Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.96Å; S98-H102 PolarHBondContact O-N 3.21Å; S98-H102 PolarHBondContact O-ND1 3.05Å
99S90.5Very high92.2Very high88 Ų8847.3 Ų47.362%0.61525%0.25SC*.Hα-helixtrans-59.2-43.3-178.7-54.70000112.8V97 R101 H102 L103V97-S99 VanDerWaalsContact C-N 3.32Å; V97-S99 PolarHBondContact O-N 2.86Å; S99-R101 VanDerWaalsContact C-N 3.3Å; S99-R101 PolarHBondContact O-N 2.98Å; S99-H102 PolarHBondContact O-N 2.94Å; S99-L103 WeakPolarHBondContact O-CG 3.47Å; S99-L103 PolarHBondContact O-N 2.84Å
100L90.9Very high92.3Very high81 Ų8147.1 Ų47.142%0.42425%0.249SC..Hα-helixtrans-64-38.1175.3-66176.3000111.6A69 L70 V97 S98 L103 S104A69-L100 HydrophobicContact CB-CD1 4.27Å; L70-L100 HydrophobicContact CB-CB 4.39Å; L70-L100 HydrophobicContact CD2-CB 4.43Å; V97-L100 PolarHBondContact O-N 2.96Å; S98-L100 PolarHBondContact O-N 2.94Å; L100-L103 PolarHBondContact O-N 3.15Å; L100-S104 PolarHBondContact O-N 3.4Å
101R93.6Very high92.4Very high3 Ų347.1 Ų47.11%0.01125%0.249CC..Hα-helixtrans-69.8-36.5177.6-172.916859.6-118.5-0.4112.8I42 T91 G92 K94 V97 S98 S99 L103 S104 Y105 E133I42-R101 HydrophobicContact CG2-CG 4.47Å; T91-R101 HydrophobicContact CG2-CG 3.99Å; T91-R101 WeakPolarHBondContact OG1-CD 3.24Å; G92-R101 PolarHBondContact O-NH1 3.42Å; K94-R101 PolarHBondContact O-NH1 3.28Å; V97-R101 PolarHBondContact O-N 2.98Å; S98-R101 CarbonylContact O-C 3.59Å; S98-R101 WeakPolarHBondContact O-CA 3.34Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.96Å; S99-R101 VanDerWaalsContact C-N 3.3Å; S99-R101 PolarHBondContact O-N 2.98Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 3.23Å; R101-S104 PolarHBondContact O-N 3.3Å; R101-S104 VanDerWaalsContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 2.94Å; R101-Y105 HydrophobicContact CG-CE1 4.15Å; R101-Y105 HydrophobicContact CG-CE2 4.3Å; R101-Y105 PolarHBondContact O-N 3.41Å; R101-E133 IonicContact CZ-OE1 2.7Å; R101-E133 VanDerWaalsContact CZ-OE1 3.31Å; R101-E133 IonicContact CZ-OE2 2.85Å; R101-E133 IonicContact NE-OE1 3.91Å; R101-E133 PolarHBondContact NE-OE1 3.49Å; R101-E133 IonicContact NE-OE2 3.17Å; R101-E133 PolarHBondContact NE-OE2 3.19Å; R101-E133 VanDerWaalsContact NH2-CD 3.34Å; R101-E133 IonicContact NH2-OE1 2.75Å; R101-E133 PolarHBondContact NH2-OE1 2.86Å; R101-E133 VanDerWaalsContact NH2-OE1 3.11Å; R101-E133 IonicContact NH2-OE2 2.69Å; R101-E133 PolarHBondContact NH2-OE2 3.5Å
102H91.8Very high92.5Very high51 Ų5147.1 Ų47.124%0.23625%0.249CC..Hα-helixtrans-64.1-37.4174.7-74.570.9000111.9S98 S99 S104 Y105 E133S98-H102 PolarHBondContact O-N 3.21Å; S98-H102 PolarHBondContact O-ND1 3.05Å; S99-H102 PolarHBondContact O-N 2.94Å; H102-S104 VanDerWaalsContact C-N 3.31Å; H102-Y105 PolarHBondContact O-N 3.37Å; H102-E133 VanDerWaalsContact CE1-CG 3.46Å; H102-E133 WeakPolarHBondContact CE1-CG 3.31Å; H102-E133 IonicContact CE1-OE1 2.86Å; H102-E133 PolarHBondContact CE1-OE1 3.41Å; H102-E133 IonicContact ND1-OE1 2.79Å
103L90Very high92.9Very high118 Ų11847.2 Ų47.262%0.61825%0.249SC*.Hα-helixtrans-66-35.1173.7-65.2173.7000111.8S99 L100 R101 Y105 L106S99-L103 WeakPolarHBondContact O-CG 3.47Å; S99-L103 PolarHBondContact O-N 2.84Å; L100-L103 PolarHBondContact O-N 3.15Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 3.23Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.26Å; L103-L106 PolarHBondContact O-N 3.24Å
104S92.3Very high93.4Very high7 Ų746.4 Ų46.45%0.04924%0.241CC..Hα-helixtrans-68.4-28.1179.280.60000112.2K38 I40 L100 R101 H102 L106K38-S104 WeakPolarHBondContact CE-O 3.38Å; K38-S104 PolarHBondContact NZ-O 2.89Å; I40-S104 VanDerWaalsContact CD1-C 3.43Å; I40-S104 WeakPolarHBondContact CD1-O 3.35Å; L100-S104 PolarHBondContact O-N 3.4Å; R101-S104 PolarHBondContact O-N 3.3Å; R101-S104 VanDerWaalsContact O-N 3.12Å; R101-S104 PolarHBondContact O-OG 2.94Å; H102-S104 VanDerWaalsContact C-N 3.31Å; S104-L106 PolarHBondContact O-N 3.13Å
105Y93.7Very high93.8Very high0 Ų042.3 Ų42.30%022%0.223CC..THydrogen-bonded Turntrans-62-22.6177.9-62.9-37.3000115.2I40 I42 R101 H102 L103 D107 A108 I111 E133 L134 A137I40-Y105 HydrophobicContact CD1-CD1 3.95Å; I40-Y105 HydrophobicContact CG2-CD1 4.39Å; I40-Y105 HydrophobicContact CG2-CE1 4.28Å; I42-Y105 HydrophobicContact CD1-CE1 4.48Å; I42-Y105 HydrophobicContact CG2-CE1 3.71Å; R101-Y105 HydrophobicContact CG-CE1 4.15Å; R101-Y105 HydrophobicContact CG-CE2 4.3Å; R101-Y105 PolarHBondContact O-N 3.41Å; H102-Y105 PolarHBondContact O-N 3.37Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3.26Å; Y105-D107 PolarHBondContact O-N 3.11Å; Y105-A108 VanDerWaalsContact O-CB 3.26Å; Y105-A108 WeakPolarHBondContact O-CB 3.5Å; Y105-A108 PolarHBondContact O-N 3.19Å; Y105-I111 HydrophobicContact CD1-CD1 4.26Å; Y105-I111 HydrophobicContact CE1-CD1 4.49Å; Y105-E133 HydrophobicContact CE2-CG 4.36Å; Y105-E133 PolarHBondContact OH-OE1 3.48Å; Y105-L134 HydrophobicContact CD1-CD2 4.29Å; Y105-L134 HydrophobicContact CE1-CD2 3.81Å; Y105-L134 HydrophobicContact CE2-CD2 4.07Å; Y105-A137 HydrophobicContact CD2-CB 3.54Å; Y105-A137 HydrophobicContact CE2-CB 4.03Å; Y105-A137 HydrophobicContact CG-CB 4.48Å
106L90.5Very high94.2Very high65 Ų6534.8 Ų34.834%0.3419%0.188SC..THydrogen-bonded Turntrans-59.2131.2175-62176000110K38 L103 S104 A108 P138K38-L106 PolarHBondContact NZ-O 2.82Å; L103-L106 PolarHBondContact O-N 3.24Å; S104-L106 PolarHBondContact O-N 3.13Å; L106-A108 PolarHBondContact O-N 2.79Å; L106-A108 VanDerWaalsContact O-N 3.16Å; L106-P138 HydrophobicContact CD2-CB 4.26Å; L106-P138 HydrophobicContact CD2-CG 3.73Å
107D90Very high94.6Very high81 Ų8127.8 Ų27.843%0.43316%0.156SC..THydrogen-bonded Turntrans59.122.2-179-55.1-46.6000114.9Y105 H109 L274Y105-D107 PolarHBondContact O-N 3.11Å; D107-H109 PolarHBondContact O-CE1 3.44Å; D107-H109 PolarHBondContact O-N 2.72Å; D107-H109 PolarHBondContact O-ND1 2.86Å; D107-H109 VanDerWaalsContact O-ND1 3.09Å; D107-L274 VanDerWaalsContact OD1-CD1 3.25Å; D107-L274 WeakPolarHBondContact OD1-CD1 3.29Å; D107-L274 WeakPolarHBondContact OD1-CD2 3.48Å; D107-L274 WeakPolarHBondContact OD1-CG 3.42Å
108A95.7Very high94.9Very high1 Ų126.7 Ų26.71%0.00815%0.149CC..  trans-62.3124.9172.200000110.3I40 Y105 L106 I111 P195 P272I40-A108 HydrophobicContact CD1-CB 3.44Å; I40-A108 VanDerWaalsContact CD1-CB 3.44Å; I40-A108 HydrophobicContact CG1-CB 4.2Å; Y105-A108 VanDerWaalsContact O-CB 3.26Å; Y105-A108 WeakPolarHBondContact O-CB 3.5Å; Y105-A108 PolarHBondContact O-N 3.19Å; L106-A108 PolarHBondContact O-N 2.79Å; L106-A108 VanDerWaalsContact O-N 3.16Å; A108-I111 HydrophobicContact CB-CG1 4.33Å; A108-P195 HydrophobicContact CB-CB 4.03Å; A108-P195 HydrophobicContact CB-CG 4.3Å; A108-P195 WeakPolarHBondContact O-CB 3.32Å; A108-P272 WeakPolarHBondContact O-CB 3.11Å; A108-P272 WeakPolarHBondContact O-CG 3.15Å
109H97Very high95.3Very high22 Ų2227.8 Ų27.810%0.10215%0.148CC..SBendtrans-87.4-36.5172.4-60.870.5000110.4V37 K38 D107 P195 I196 V266V37-H109 HydrophobicContact CG1-CB 4.37Å; K38-H109 PolarHBondContact N-ND1 3.35Å; K38-H109 VanDerWaalsContact N-ND1 3.14Å; K38-H109 WeakPolarHBondContact O-CB 3.3Å; K38-H109 PolarHBondContact O-N 3.02Å; D107-H109 PolarHBondContact O-CE1 3.44Å; D107-H109 PolarHBondContact O-N 2.72Å; D107-H109 PolarHBondContact O-ND1 2.86Å; D107-H109 VanDerWaalsContact O-ND1 3.09Å; H109-P195 WeakPolarHBondContact O-CA 3.37Å; H109-I196 PolarHBondContact O-N 3.17Å; H109-V266 HydrophobicContact CB-CB 4.37Å; H109-V266 HydrophobicContact CB-CG1 4.4Å
110V98Very high95.6Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-139138.4-177.9-176.20000110.3K38 C39 I40 I196 L198 A259 C262K38-V110 PolarHBondContact O-N 3.4Å; C39-V110 CarbonylContact C-O 3.57Å; C39-V110 VanDerWaalsContact CA-O 3.3Å; C39-V110 WeakPolarHBondContact CA-O 3.44Å; C39-V110 HydrophobicContact CB-CB 4.12Å; I40-V110 PolarHBondContact N-O 2.71Å; V110-I196 CarbonylContact C-O 3.52Å; V110-I196 VanDerWaalsContact CA-O 3.31Å; V110-I196 WeakPolarHBondContact CA-O 3.19Å; V110-I196 WeakPolarHBondContact CG1-O 3.36Å; V110-L198 HydrophobicContact CG1-CD1 3.81Å; V110-L198 HydrophobicContact CG1-CG 4.08Å; V110-A259 HydrophobicContact CG1-CB 4.31Å; V110-A259 WeakPolarHBondContact CG2-O 3.45Å; V110-C262 HydrophobicContact CG2-CB 3.74Å
111I98.2Very high96Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-115.3120.8169.9-65.1179.8000108.8I40 I42 Y105 A108 L113 L134 I139 P195 I196 F197 L198I40-I111 WeakPolarHBondContact O-CA 3.35Å; I42-I111 HydrophobicContact CD1-CG2 3.71Å; I42-I111 HydrophobicContact CG1-CG2 3.88Å; Y105-I111 HydrophobicContact CD1-CD1 4.26Å; Y105-I111 HydrophobicContact CE1-CD1 4.49Å; A108-I111 HydrophobicContact CB-CG1 4.33Å; I111-L113 HydrophobicContact CG2-CD2 4.24Å; I111-L113 HydrophobicContact CG2-CG 4.35Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; I111-I139 HydrophobicContact CD1-CD1 3.97Å; I111-P195 HydrophobicContact CD1-CB 4.01Å; I111-P195 HydrophobicContact CD1-CG 3.58Å; I111-P195 HydrophobicContact CG1-CB 3.8Å; I111-P195 HydrophobicContact CG1-CG 3.98Å; I111-I196 PolarHBondContact N-O 3.11Å; I111-F197 HydrophobicContact CB-CD1 3.93Å; I111-F197 HydrophobicContact CB-CE1 4.12Å; I111-F197 HydrophobicContact CD1-CE1 4Å; I111-F197 HydrophobicContact CG1-CE1 4.46Å; I111-F197 WeakPolarHBondContact O-CA 3.22Å; I111-L198 PolarHBondContact O-N 3.44Å
112L98.7Very high96.2Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-91106.2173.8-67.9156.2000107.8C39 I40 L41 I42 C114 L198 I200 V255C39-L112 HydrophobicContact CB-CD1 4.36Å; I40-L112 PolarHBondContact O-N 3.25Å; L41-L112 HydrophobicContact CD1-CD1 3.64Å; L41-L112 HydrophobicContact CG-CB 4.04Å; L41-L112 HydrophobicContact CG-CD1 3.71Å; I42-L112 PolarHBondContact N-O 3.3Å; L112-C114 PolarHBondContact O-N 2.91Å; L112-L198 HydrophobicContact CD2-CB 3.87Å; L112-L198 HydrophobicContact CD2-CD1 3.93Å; L112-I200 HydrophobicContact CB-CG1 4.23Å; L112-I200 HydrophobicContact CD2-CD1 3.68Å; L112-I200 HydrophobicContact CD2-CG1 3.61Å; L112-V255 HydrophobicContact CD2-CG1 3.84Å
113L98.7Very high96.5Very high3 Ų321.8 Ų21.82%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-83.996.8176-68169.5000108.9I42 I111 L126 L134 F197 L198 L199 I200 L236I42-L113 HydrophobicContact CD1-CD2 3.66Å; I42-L113 HydrophobicContact CG1-CD2 3.78Å; I111-L113 HydrophobicContact CG2-CD2 4.24Å; I111-L113 HydrophobicContact CG2-CG 4.35Å; L113-L126 HydrophobicContact CB-CD2 4.2Å; L113-L134 HydrophobicContact CD2-CD1 4.07Å; L113-F197 HydrophobicContact CD1-CB 4.2Å; L113-F197 HydrophobicContact CD1-CD2 3.9Å; L113-F197 HydrophobicContact CD1-CG 4.14Å; L113-L198 PolarHBondContact N-O 3.43Å; L113-L199 HydrophobicContact CB-CD1 3.98Å; L113-I200 PolarHBondContact O-N 3.24Å; L113-L236 HydrophobicContact CD1-CD1 3.89Å
114C98.8Very high96.9Very high0 Ų022.4 Ų22.40%011%0.105CC..EExtended strand (participates in β ladder)trans-94.8133.6-174.6-59.40000112.2I42 G43 V47 K49 L112 I200I42-C114 WeakPolarHBondContact O-CB 3.43Å; I42-C114 PolarHBondContact O-N 2.92Å; G43-C114 WeakPolarHBondContact CA-O 3.48Å; V47-C114 HydrophobicContact CG2-CB 3.87Å; K49-C114 HydrophobicContact CD-CB 4.24Å; K49-C114 HydrophobicContact CG-CB 3.87Å; L112-C114 PolarHBondContact O-N 2.91Å; C114-I200 WeakPolarHBondContact CA-O 3.12Å
115F98.8Very high97.2Very high0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans-134.1163.9166.171.6-80.1000109.6V117 F123 L126 L199 I200 C202 I224 A229 Y241F115-V117 HydrophobicContact CE2-CG1 4.07Å; F115-V117 HydrophobicContact CZ-CG1 4.44Å; F115-F123 HydrophobicContact CD1-CD2 4.14Å; F115-F123 HydrophobicContact CD2-CB 3.89Å; F115-F123 AromaticContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CG 4.29Å; F115-F123 HydrophobicContact CE1-CD2 4.04Å; F115-F123 HydrophobicContact CE1-CE2 4.35Å; F115-F123 HydrophobicContact CE2-CB 4.42Å; F115-F123 AromaticContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CE2 4.38Å; F115-F123 HydrophobicContact CE2-CG 4.42Å; F115-F123 HydrophobicContact CG-CB 4.33Å; F115-F123 AromaticContact CG-CD2 3.97Å; F115-F123 HydrophobicContact CG-CD2 3.97Å; F115-F123 AromaticContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CE2 4.14Å; F115-L126 HydrophobicContact CB-CD1 3.96Å; F115-L126 HydrophobicContact CB-CG 4.31Å; F115-L126 HydrophobicContact CD1-CD1 3.76Å; F115-L126 HydrophobicContact CG-CD1 4.12Å; F115-L199 HydrophobicContact CD1-CD1 4.1Å; F115-L199 HydrophobicContact CD1-CG 4.42Å; F115-L199 HydrophobicContact CE1-CD1 4.15Å; F115-L199 HydrophobicContact CE1-CD2 4.21Å; F115-L199 HydrophobicContact CE1-CG 3.99Å; F115-I200 VanDerWaalsContact CD1-O 3.25Å; F115-I200 WeakPolarHBondContact CD1-O 3.46Å; F115-I200 PolarHBondContact N-O 3.47Å; F115-C202 WeakPolarHBondContact O-CB 3.4Å; F115-C202 PolarHBondContact O-N 3.3Å; F115-I224 HydrophobicContact CE2-CB 4.02Å; F115-I224 HydrophobicContact CE2-CG1 4.17Å; F115-I224 HydrophobicContact CE2-CG2 3.88Å; F115-I224 HydrophobicContact CZ-CG2 4.32Å; F115-A229 HydrophobicContact CE1-CB 4.4Å; F115-A229 HydrophobicContact CZ-CB 3.8Å; F115-Y241 AromaticContact CE1-CE2 3.73Å; F115-Y241 HydrophobicContact CE1-CE2 3.73Å; F115-Y241 AromaticContact CZ-CE2 3.81Å; F115-Y241 HydrophobicContact CZ-CE2 3.81Å
116S98.7Very high97.4Very high5 Ų523 Ų234%0.03511%0.109CC..EExtended strand (participates in β ladder)trans-97.2130.7172167.40000110.1V118 R119 T122 C202S116-V118 PolarHBondContact O-N 3.21Å; S116-V118 WeakPolarHBondContact OG-CG2 3.42Å; S116-R119 PolarHBondContact O-N 3.43Å; S116-T122 PolarHBondContact N-OG1 2.9Å; S116-C202 WeakPolarHBondContact CA-O 3.38Å
117V98.6Very high97.8Very high0 Ų022.6 Ų22.60%011%0.105CC..THydrogen-bonded Turntrans-65.5-20.6-177.8-54.30000113F115 C202 C204 P223 I224 E243F115-V117 HydrophobicContact CE2-CG1 4.07Å; F115-V117 HydrophobicContact CZ-CG1 4.44Å; V117-C202 PolarHBondContact N-O 3.06Å; V117-C204 HydrophobicContact CG2-CB 4.27Å; V117-P223 CarbonylContact O-C 3.6Å; V117-P223 VanDerWaalsContact O-CA 3.24Å; V117-P223 WeakPolarHBondContact O-CA 3.34Å; V117-I224 PolarHBondContact O-N 3.33Å; V117-E243 HydrophobicContact CG1-CG 4.24Å
118V98Very high98.1Very high5 Ų522.5 Ų22.53%0.0311%0.107CC..THydrogen-bonded Turntrans-100.213176.4-63.60000113S116 L206 P223S116-V118 PolarHBondContact O-N 3.21Å; S116-V118 WeakPolarHBondContact OG-CG2 3.42Å; V118-L206 HydrophobicContact CG1-CB 3.84Å; V118-L206 WeakPolarHBondContact CG1-O 3.38Å; V118-L206 HydrophobicContact CG2-CB 4.03Å; V118-L206 HydrophobicContact CG2-CD1 4.19Å; V118-P223 HydrophobicContact CG1-CB 4.46Å; V118-P223 HydrophobicContact CG1-CG 4.48Å
119R98Very high98.1Very high53 Ų5325.8 Ų25.820%0.213%0.127CC..  trans-133.783.7177.4-72-17355.7-160.7-10.7110.9K45 Q46 S116 D121 T122K45-R119 PolarHBondContact O-NH1 3.38Å; Q46-R119 PolarHBondContact O-NH1 3.26Å; S116-R119 PolarHBondContact O-N 3.43Å; R119-D121 WeakPolarHBondContact CA-OD1 3.04Å; R119-D121 WeakPolarHBondContact CB-OD1 3.48Å; R119-D121 IonicContact CZ-OD2 3.79Å; R119-D121 IonicContact NE-OD1 3.65Å; R119-D121 IonicContact NE-OD2 3.73Å; R119-D121 IonicContact NH2-OD2 3.71Å; R119-D121 PolarHBondContact NH2-OD2 3.24Å; R119-D121 PolarHBondContact O-N 2.73Å; R119-T122 HydrophobicContact CB-CG2 3.82Å; R119-T122 PolarHBondContact O-N 3.33Å; R119-T122 PolarHBondContact O-OG1 3.41Å
120P98.2Very high98.2Very high4 Ų425 Ų253%0.02612%0.123CC..Hα-helixtrans-61.5-25.6-174.7-2737.9000115.1T122 F123 R124 L216 E221 E222 I224P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.42Å; P120-F123 PolarHBondContact O-N 2.83Å; P120-R124 VanDerWaalsContact C-NH1 3.31Å; P120-R124 WeakPolarHBondContact O-CG 3.44Å; P120-R124 PolarHBondContact O-N 3.29Å; P120-R124 PolarHBondContact O-NH1 3.18Å; P120-L216 HydrophobicContact CG-CD2 4.16Å; P120-E221 WeakPolarHBondContact CB-OE2 3.33Å; P120-E221 WeakPolarHBondContact CD-OE2 3.22Å; P120-E221 HydrophobicContact CG-CB 4.28Å; P120-E221 WeakPolarHBondContact CG-OE2 3.42Å; P120-E222 WeakPolarHBondContact CG-O 3.39Å; P120-I224 HydrophobicContact CB-CD1 3.62Å; P120-I224 HydrophobicContact CB-CG1 4.34Å; P120-I224 HydrophobicContact CG-CD1 4.02Å; P120-I224 HydrophobicContact CG-CG1 4.4Å
121D98.1Very high98.1Very high65 Ų6525.2 Ų25.235%0.34812%0.124SC..Hα-helixtrans-51.7-49.316858.8-52.9000111.2R119 F123 R124 S125R119-D121 WeakPolarHBondContact CA-OD1 3.04Å; R119-D121 WeakPolarHBondContact CB-OD1 3.48Å; R119-D121 IonicContact CZ-OD2 3.79Å; R119-D121 IonicContact NE-OD1 3.65Å; R119-D121 IonicContact NE-OD2 3.73Å; R119-D121 IonicContact NH2-OD2 3.71Å; R119-D121 PolarHBondContact NH2-OD2 3.24Å; R119-D121 PolarHBondContact O-N 2.73Å; D121-F123 VanDerWaalsContact C-N 3.27Å; D121-F123 PolarHBondContact O-N 2.73Å; D121-R124 PolarHBondContact O-N 3.16Å; D121-R124 VanDerWaalsContact O-N 3.09Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 3.29Å; D121-S125 VanDerWaalsContact O-OG 3.12Å
122T98.5Very high98Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-67.1-28.8-175.969.50000113D44 V47 S116 R119 P120 L126D44-T122 HydrophobicContact CB-CG2 3.69Å; V47-T122 HydrophobicContact CG1-CG2 3.69Å; S116-T122 PolarHBondContact N-OG1 2.9Å; R119-T122 HydrophobicContact CB-CG2 3.82Å; R119-T122 PolarHBondContact O-N 3.33Å; R119-T122 PolarHBondContact O-OG1 3.41Å; P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.42Å; T122-L126 PolarHBondContact O-N 2.71Å
123F98.8Very high97.9Very high29 Ų2931.6 Ų31.613%0.12715%0.152CC..Hα-helixtrans-69.5-41.7173.6-179.4-101.9000111.6F115 P120 D121 S125 L126 I224 K228 A229 L232F115-F123 HydrophobicContact CD1-CD2 4.14Å; F115-F123 HydrophobicContact CD2-CB 3.89Å; F115-F123 AromaticContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CD2 3.73Å; F115-F123 HydrophobicContact CD2-CG 4.29Å; F115-F123 HydrophobicContact CE1-CD2 4.04Å; F115-F123 HydrophobicContact CE1-CE2 4.35Å; F115-F123 HydrophobicContact CE2-CB 4.42Å; F115-F123 AromaticContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CD2 3.65Å; F115-F123 HydrophobicContact CE2-CE2 4.38Å; F115-F123 HydrophobicContact CE2-CG 4.42Å; F115-F123 HydrophobicContact CG-CB 4.33Å; F115-F123 AromaticContact CG-CD2 3.97Å; F115-F123 HydrophobicContact CG-CD2 3.97Å; F115-F123 AromaticContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CD2 3.8Å; F115-F123 HydrophobicContact CZ-CE2 4.14Å; P120-F123 PolarHBondContact O-N 2.83Å; D121-F123 VanDerWaalsContact C-N 3.27Å; D121-F123 PolarHBondContact O-N 2.73Å; F123-S125 VanDerWaalsContact C-N 3.34Å; F123-L126 HydrophobicContact CD2-CD1 4.39Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.87Å; F123-I224 HydrophobicContact CB-CD1 3.83Å; F123-I224 HydrophobicContact CB-CG1 3.82Å; F123-I224 HydrophobicContact CD1-CD1 3.89Å; F123-I224 HydrophobicContact CD1-CG1 4.49Å; F123-I224 HydrophobicContact CD1-CG2 4.48Å; F123-I224 HydrophobicContact CD2-CG1 4.48Å; F123-I224 HydrophobicContact CD2-CG2 3.98Å; F123-I224 HydrophobicContact CE2-CG2 4.09Å; F123-I224 HydrophobicContact CG-CD1 3.91Å; F123-I224 HydrophobicContact CG-CG1 4.03Å; F123-I224 HydrophobicContact CG-CG2 4.17Å; F123-I224 HydrophobicContact CZ-CG2 4.38Å; F123-K228 WeakPolarHBondContact CZ-O 3.44Å; F123-A229 HydrophobicContact CE2-CB 3.92Å; F123-A229 HydrophobicContact CZ-CB 4.5Å; F123-L232 HydrophobicContact CD2-CD2 3.94Å; F123-L232 HydrophobicContact CE1-CD2 4.16Å; F123-L232 HydrophobicContact CE2-CB 3.99Å; F123-L232 HydrophobicContact CE2-CD2 3.37Å; F123-L232 HydrophobicContact CE2-CG 4.29Å; F123-L232 HydrophobicContact CZ-CB 3.64Å; F123-L232 HydrophobicContact CZ-CD2 3.5Å; F123-L232 VanDerWaalsContact CZ-CD2 3.5Å; F123-L232 HydrophobicContact CZ-CG 4.18Å
124R98.1Very high97.7Very high130 Ų13031.5 Ų31.549%0.49115%0.152SC..Hα-helixtrans-67.8-35.2175.3-62.4176-168.6108-9.1111.7P120 D121 L126 K127 T128 E221P120-R124 VanDerWaalsContact C-NH1 3.31Å; P120-R124 WeakPolarHBondContact O-CG 3.44Å; P120-R124 PolarHBondContact O-N 3.29Å; P120-R124 PolarHBondContact O-NH1 3.18Å; D121-R124 PolarHBondContact O-N 3.16Å; D121-R124 VanDerWaalsContact O-N 3.09Å; R124-L126 PolarHBondContact O-N 3.27Å; R124-K127 PolarHBondContact O-N 2.94Å; R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.48Å; R124-E221 IonicContact CZ-OE1 3.57Å; R124-E221 IonicContact NH1-OE1 3.69Å; R124-E221 PolarHBondContact NH1-OE1 2.7Å; R124-E221 IonicContact NH1-OE2 3.44Å; R124-E221 IonicContact NH2-OE1 2.66Å; R124-E221 PolarHBondContact NH2-OE1 2.75Å
125S98.3Very high97.5Very high19 Ų1933.1 Ų33.113%0.13317%0.166CC..Hα-helixtrans-58.7-29.6175.7-61.80000112.7D44 D121 F123 K127 T128 V129 W130D44-S125 WeakPolarHBondContact OD1-CB 3.2Å; D44-S125 PolarHBondContact OD1-OG 3.5Å; D44-S125 WeakPolarHBondContact OD2-CB 3.31Å; D44-S125 PolarHBondContact OD2-OG 3.09Å; D121-S125 PolarHBondContact O-N 3.35Å; D121-S125 PolarHBondContact O-OG 3.29Å; D121-S125 VanDerWaalsContact O-OG 3.12Å; F123-S125 VanDerWaalsContact C-N 3.34Å; S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.94Å; S125-T128 WeakPolarHBondContact CA-OG1 3.15Å; S125-T128 PolarHBondContact O-N 3.14Å; S125-V129 WeakPolarHBondContact O-CA 3.5Å; S125-V129 WeakPolarHBondContact O-CB 3.14Å; S125-V129 PolarHBondContact O-N 2.92Å; S125-W130 PolarHBondContact O-N 3.21Å
126L98.5Very high97.1Very high1 Ų137 Ų371%0.00519%0.193CC..Iπ-helixtrans-55.6-43.1177.7-67.6178.2000112.5L113 F115 T122 F123 R124 W130 L131 L199 L232L113-L126 HydrophobicContact CB-CD2 4.2Å; F115-L126 HydrophobicContact CB-CD1 3.96Å; F115-L126 HydrophobicContact CB-CG 4.31Å; F115-L126 HydrophobicContact CD1-CD1 3.76Å; F115-L126 HydrophobicContact CG-CD1 4.12Å; T122-L126 PolarHBondContact O-N 2.71Å; F123-L126 HydrophobicContact CD2-CD1 4.39Å; F123-L126 WeakPolarHBondContact O-CB 3.4Å; F123-L126 PolarHBondContact O-N 2.87Å; R124-L126 PolarHBondContact O-N 3.27Å; L126-W130 HydrophobicContact CD2-CG 4.46Å; L126-L131 WeakPolarHBondContact O-CB 3.2Å; L126-L131 PolarHBondContact O-N 3.14Å; L126-L199 HydrophobicContact CD1-CD1 3.41Å; L126-L199 VanDerWaalsContact CD1-CD1 3.41Å; L126-L232 HydrophobicContact CB-CD2 4.17Å; L126-L232 HydrophobicContact CD1-CD2 3.81Å
127K97Very high96.8Very high57 Ų5737.2 Ų37.225%0.24820%0.195CC..Iπ-helixtrans-81.3-41.1177-70.3-156.9-75-165.80112.9R124 S125 T148 L152 F153 L232 E235 L236R124-K127 PolarHBondContact O-N 2.94Å; S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.94Å; K127-T148 HydrophobicContact CD-CG2 4.33Å; K127-L152 HydrophobicContact CB-CD1 3.96Å; K127-L152 HydrophobicContact CD-CD1 4.31Å; K127-F153 WeakPolarHBondContact O-CZ 3.45Å; K127-L232 HydrophobicContact CD-CD1 3.4Å; K127-L232 HydrophobicContact CG-CD1 3.43Å; K127-L232 VanDerWaalsContact CG-CD1 3.43Å; K127-E235 WeakPolarHBondContact CD-OE1 3.5Å; K127-E235 IonicContact NZ-OE1 2.71Å; K127-E235 PolarHBondContact NZ-OE1 3.4Å; K127-E235 IonicContact NZ-OE2 3.21Å; K127-E235 PolarHBondContact NZ-OE2 3.2Å; K127-L236 HydrophobicContact CG-CD2 4.44Å
128T96.3Very high96.3Very high79 Ų7939.3 Ų39.349%0.48521%0.208SC..Iπ-helixtrans-86.8-28.7-167.552.10000113.7R124 S125R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.48Å; S125-T128 WeakPolarHBondContact CA-OG1 3.15Å; S125-T128 PolarHBondContact O-N 3.14Å
129V97.1Very high96Very high70 Ų7039.6 Ų39.642%0.42421%0.21SC..Iπ-helixtrans-112.9-59.9-177.7-177.90000110.3S125 K132 E133S125-V129 WeakPolarHBondContact O-CA 3.5Å; S125-V129 WeakPolarHBondContact O-CB 3.14Å; S125-V129 PolarHBondContact O-N 2.92Å; V129-K132 WeakPolarHBondContact O-CB 3.41Å; V129-K132 PolarHBondContact O-N 3.22Å; V129-E133 PolarHBondContact O-N 3.41Å
130W97.8Very high95.7Very high5 Ų539.4 Ų39.42%0.01921%0.212CC..Iπ-helixtrans-71.2-42.9-169.5-61.4102.7000113.1I42 G43 D44 S125 L126 K132 E133 L134I42-W130 HydrophobicContact CB-CE3 3.89Å; I42-W130 HydrophobicContact CB-CZ3 4.07Å; I42-W130 HydrophobicContact CD1-CB 4.39Å; I42-W130 HydrophobicContact CD1-CE3 4.09Å; I42-W130 HydrophobicContact CG1-CE3 4.2Å; G43-W130 WeakPolarHBondContact O-CH2 3.33Å; G43-W130 WeakPolarHBondContact O-CZ2 3.31Å; D44-W130 PolarHBondContact OD1-NE1 3.44Å; S125-W130 PolarHBondContact O-N 3.21Å; L126-W130 HydrophobicContact CD2-CG 4.46Å; W130-K132 VanDerWaalsContact C-N 3.28Å; W130-K132 PolarHBondContact O-N 3.36Å; W130-E133 PolarHBondContact O-N 2.86Å; W130-L134 WeakPolarHBondContact O-CB 3.48Å; W130-L134 VanDerWaalsContact O-CG 3.29Å; W130-L134 WeakPolarHBondContact O-CG 3.29Å; W130-L134 PolarHBondContact O-N 2.85Å
131L97.3Very high95.5Very high4 Ų440 Ų402%0.02122%0.215CC..Hα-helixtrans-63.7-35.9173.5-178.364.1000111.8L126 L134 A135 L141 A145 T148 A149 L152 F153 L236L126-L131 WeakPolarHBondContact O-CB 3.2Å; L126-L131 PolarHBondContact O-N 3.14Å; L131-L134 PolarHBondContact O-N 3.45Å; L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.35Å; L131-L141 HydrophobicContact CD1-CD1 4.33Å; L131-A145 HydrophobicContact CD1-CB 3.97Å; L131-T148 HydrophobicContact CD2-CG2 3.62Å; L131-A149 HydrophobicContact CD1-CB 4.44Å; L131-A149 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CG-CB 4.09Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; L131-F153 HydrophobicContact CG-CE2 4.5Å; L131-L236 HydrophobicContact CD1-CD2 4.34Å; L131-L236 HydrophobicContact CD2-CD2 3.79Å
132K96Very high95.3Very high110 Ų11038.8 Ų38.848%0.47821%0.208SC..Hα-helixtrans-63.6-44.6175.4-167.1-178174.5-175.30111.4V129 W130 A135 S136 F153V129-K132 WeakPolarHBondContact O-CB 3.41Å; V129-K132 PolarHBondContact O-N 3.22Å; W130-K132 VanDerWaalsContact C-N 3.28Å; W130-K132 PolarHBondContact O-N 3.36Å; K132-A135 PolarHBondContact O-N 3.03Å; K132-S136 PolarHBondContact O-N 2.68Å; K132-S136 VanDerWaalsContact O-N 3.15Å; K132-S136 PolarHBondContact O-OG 3.47Å; K132-F153 HydrophobicContact CB-CD2 4.31Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CE2 3.63Å; K132-F153 HydrophobicContact CB-CZ 3.48Å; K132-F153 VanDerWaalsContact CB-CZ 3.48Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 4.13Å; K132-F153 HydrophobicContact CD-CZ 4.4Å; K132-F153 HydrophobicContact CG-CD1 4.37Å; K132-F153 HydrophobicContact CG-CD2 4.28Å; K132-F153 HydrophobicContact CG-CE1 4.17Å; K132-F153 HydrophobicContact CG-CE2 4.08Å; K132-F153 HydrophobicContact CG-CG 4.43Å; K132-F153 HydrophobicContact CG-CZ 4.01Å
133E95.5Very high95Very high24 Ų2442.2 Ų42.211%0.11223%0.232CC..Hα-helixtrans-61.1-49.8176.3-173.2173.9150.900110.7R101 H102 Y105 V129 W130 A135 S136 A137R101-E133 IonicContact CZ-OE1 2.7Å; R101-E133 VanDerWaalsContact CZ-OE1 3.31Å; R101-E133 IonicContact CZ-OE2 2.85Å; R101-E133 IonicContact NE-OE1 3.91Å; R101-E133 PolarHBondContact NE-OE1 3.49Å; R101-E133 IonicContact NE-OE2 3.17Å; R101-E133 PolarHBondContact NE-OE2 3.19Å; R101-E133 VanDerWaalsContact NH2-CD 3.34Å; R101-E133 IonicContact NH2-OE1 2.75Å; R101-E133 PolarHBondContact NH2-OE1 2.86Å; R101-E133 VanDerWaalsContact NH2-OE1 3.11Å; R101-E133 IonicContact NH2-OE2 2.69Å; R101-E133 PolarHBondContact NH2-OE2 3.5Å; H102-E133 VanDerWaalsContact CE1-CG 3.46Å; H102-E133 WeakPolarHBondContact CE1-CG 3.31Å; H102-E133 IonicContact CE1-OE1 2.86Å; H102-E133 PolarHBondContact CE1-OE1 3.41Å; H102-E133 IonicContact ND1-OE1 2.79Å; Y105-E133 HydrophobicContact CE2-CG 4.36Å; Y105-E133 PolarHBondContact OH-OE1 3.48Å; V129-E133 PolarHBondContact O-N 3.41Å; W130-E133 PolarHBondContact O-N 2.86Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.12Å; E133-S136 CarbonylContact O-C 3.56Å; E133-S136 WeakPolarHBondContact O-CA 3.45Å; E133-S136 WeakPolarHBondContact O-CB 3.5Å; E133-S136 PolarHBondContact O-N 3.13Å; E133-A137 PolarHBondContact O-N 3.44Å
134L95.3Very high94.9Very high1 Ų142.3 Ų42.31%0.00524%0.238CC..Hα-helixtrans-61.3-37.6177.5-69.3176.8000112.9I42 Y105 I111 L113 W130 L131 S136 A137 I139 L141 F197I42-L134 HydrophobicContact CD1-CD1 3.78Å; I42-L134 HydrophobicContact CD1-CD2 3.86Å; I42-L134 HydrophobicContact CD1-CG 3.9Å; Y105-L134 HydrophobicContact CD1-CD2 4.29Å; Y105-L134 HydrophobicContact CE1-CD2 3.81Å; Y105-L134 HydrophobicContact CE2-CD2 4.07Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; L113-L134 HydrophobicContact CD2-CD1 4.07Å; W130-L134 WeakPolarHBondContact O-CB 3.48Å; W130-L134 VanDerWaalsContact O-CG 3.29Å; W130-L134 WeakPolarHBondContact O-CG 3.29Å; W130-L134 PolarHBondContact O-N 2.85Å; L131-L134 PolarHBondContact O-N 3.45Å; L134-S136 PolarHBondContact O-N 2.92Å; L134-A137 PolarHBondContact O-N 2.89Å; L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; L134-L141 HydrophobicContact CB-CD2 3.95Å; L134-F197 HydrophobicContact CD1-CE1 4.3Å; L134-F197 HydrophobicContact CD1-CE2 4.18Å; L134-F197 HydrophobicContact CD1-CZ 3.73Å
135A93.9Very high94.8Very high35 Ų3536.1 Ų36.129%0.28922%0.215SC..Hα-helixtrans-67.7-20.5174.700000113.3L131 K132 E133 L141 A149 L155L131-A135 VanDerWaalsContact O-CB 3.28Å; L131-A135 WeakPolarHBondContact O-CB 3.32Å; L131-A135 PolarHBondContact O-N 3.35Å; K132-A135 PolarHBondContact O-N 3.03Å; E133-A135 VanDerWaalsContact C-N 3.31Å; E133-A135 PolarHBondContact O-N 3.12Å; A135-L141 HydrophobicContact CB-CD1 3.94Å; A135-A149 HydrophobicContact CB-CB 4.11Å; A135-L155 HydrophobicContact CB-CD1 4.23Å
136S92Very high94.7Very high82 Ų8238.4 Ų38.457%0.57322%0.223SC*.Hα-helixtrans-96.1-11.1177.2-50.90000112.7K132 E133 L134K132-S136 PolarHBondContact O-N 2.68Å; K132-S136 VanDerWaalsContact O-N 3.15Å; K132-S136 PolarHBondContact O-OG 3.47Å; E133-S136 CarbonylContact O-C 3.56Å; E133-S136 WeakPolarHBondContact O-CA 3.45Å; E133-S136 WeakPolarHBondContact O-CB 3.5Å; E133-S136 PolarHBondContact O-N 3.13Å; L134-S136 PolarHBondContact O-N 2.92Å
137A91.1Very high94.6Very high9 Ų944.4 Ų44.47%0.07425%0.251CS..SBendtrans-81.5160.1-178.800000112.5Y105 E133 L134 I139Y105-A137 HydrophobicContact CD2-CB 3.54Å; Y105-A137 HydrophobicContact CE2-CB 4.03Å; Y105-A137 HydrophobicContact CG-CB 4.48Å; E133-A137 PolarHBondContact O-N 3.44Å; L134-A137 PolarHBondContact O-N 2.89Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; A137-I139 PolarHBondContact O-N 3.39Å
138P88.5Confident94.5Very high43 Ų4342.3 Ų42.328%0.27924%0.243SC..SBendtrans-77.349.1178.534.1-38000112.9L106L106-P138 HydrophobicContact CD2-CB 4.26Å; L106-P138 HydrophobicContact CD2-CG 3.73Å
139I91Very high94.5Very high12 Ų1238.7 Ų38.76%0.06222%0.222CC..SBendtrans-125.7158.1176.862.7172.3000110.4I111 L134 A137 L141 P195I111-I139 HydrophobicContact CD1-CD1 3.97Å; L134-I139 HydrophobicContact CB-CD1 4.28Å; L134-I139 HydrophobicContact CD2-CD1 3.68Å; A137-I139 HydrophobicContact CB-CG1 4.16Å; A137-I139 PolarHBondContact O-N 3.39Å; I139-L141 HydrophobicContact CD1-CD2 4.13Å; I139-L141 HydrophobicContact CG1-CD2 4.42Å; I139-P195 HydrophobicContact CD1-CG 4.19Å
140I92.2Very high94.4Very high49 Ų4937.2 Ų37.225%0.25122%0.215SC..PPolyproline II helixtrans-93.8122.8170.9-50.1-178.2000108.4P193 V273 L275I140-P193 HydrophobicContact CB-CB 4.3Å; I140-P193 WeakPolarHBondContact CB-O 3.5Å; I140-P193 HydrophobicContact CG2-CB 3.82Å; I140-V273 HydrophobicContact CD1-CB 3.97Å; I140-V273 HydrophobicContact CD1-CG1 3.83Å; I140-L275 HydrophobicContact CD1-CD2 4.21Å; I140-L275 HydrophobicContact CD1-CG 4.49Å; I140-L275 HydrophobicContact CG1-CD1 4.45Å; I140-L275 HydrophobicContact CG1-CD2 3.98Å; I140-L275 HydrophobicContact CG1-CG 3.85Å
141L93.8Very high94.2Very high17 Ų1745.3 Ų45.39%0.08925%0.25CC..PPolyproline II helixtrans-75.9152.5173.5-61.3-176.3000110.7L131 L134 A135 I139 A145 E146 F197L131-L141 HydrophobicContact CD1-CD1 4.33Å; L134-L141 HydrophobicContact CB-CD2 3.95Å; A135-L141 HydrophobicContact CB-CD1 3.94Å; I139-L141 HydrophobicContact CD1-CD2 4.13Å; I139-L141 HydrophobicContact CG1-CD2 4.42Å; L141-A145 HydrophobicContact CB-CB 4.18Å; L141-A145 HydrophobicContact CD1-CB 4.43Å; L141-E146 HydrophobicContact CB-CB 4.32Å; L141-F197 HydrophobicContact CD2-CE2 4.4Å; L141-F197 HydrophobicContact CD2-CZ 3.75Å
142N93.9Very high94.1Very high38 Ų3848.8 Ų48.820%0.20327%0.268CS..PPolyproline II helixtrans-66.6157.7164.675.567.7000110.3A144 A145 E146 L236N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.21Å; N142-A144 WeakPolarHBondContact OD1-CB 3.37Å; N142-A144 PolarHBondContact OD1-N 3.18Å; N142-A145 PolarHBondContact O-N 3.06Å; N142-A145 PolarHBondContact OD1-N 2.79Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 PolarHBondContact O-N 3.37Å; N142-L236 PolarHBondContact ND2-O 3.46Å; N142-L236 PolarHBondContact OD1-O 3.16Å
143S93.8Very high94Very high73 Ų7346.4 Ų46.451%0.5126%0.258SS..Hα-helixtrans-59.8-34.4-173.4-170.80000113.7E146 Q147S143-E146 PolarHBondContact O-N 2.8Å; S143-Q147 WeakPolarHBondContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.49Å; S143-Q147 PolarHBondContact O-N 3.04Å; S143-Q147 PolarHBondContact OG-NE2 2.87Å
144A96.2Very high93.5Very high30 Ų3048.4 Ų48.425%0.24829%0.285CS..Hα-helixtrans-70.1-45.4178.600000111.6N142 E146 Q147 T148N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.21Å; N142-A144 WeakPolarHBondContact OD1-CB 3.37Å; N142-A144 PolarHBondContact OD1-N 3.18Å; A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.12Å; A144-Q147 PolarHBondContact O-N 3.17Å; A144-T148 WeakPolarHBondContact O-CB 3.42Å; A144-T148 PolarHBondContact O-N 3.34Å; A144-T148 PolarHBondContact O-OG1 3.37Å
145A96.4Very high92.3Very high0 Ų051.9 Ų51.90%030%0.303CS..Hα-helixtrans-59.9-41.6172.700000112L131 L141 N142 T148 A149 F197L131-A145 HydrophobicContact CD1-CB 3.97Å; L141-A145 HydrophobicContact CB-CB 4.18Å; L141-A145 HydrophobicContact CD1-CB 4.43Å; N142-A145 PolarHBondContact O-N 3.06Å; N142-A145 PolarHBondContact OD1-N 2.79Å; A145-T148 PolarHBondContact O-N 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 2.92Å; A145-F197 HydrophobicContact CB-CD2 4.38Å; A145-F197 HydrophobicContact CB-CE2 3.73Å
146E95Very high90.6Very high67 Ų6755.4 Ų55.431%0.31333%0.326SS..Hα-helixtrans-63.8-45.8177.3-169-177.9-170.500112.3L141 N142 S143 A144 A149 S150 T157L141-E146 HydrophobicContact CB-CB 4.32Å; N142-E146 WeakPolarHBondContact O-CB 3.31Å; N142-E146 PolarHBondContact O-N 3.37Å; S143-E146 PolarHBondContact O-N 2.8Å; A144-E146 VanDerWaalsContact C-N 3.32Å; A144-E146 PolarHBondContact O-N 3.12Å; E146-A149 PolarHBondContact O-N 3.45Å; E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.76Å; E146-S150 PolarHBondContact O-OG 3.11Å; E146-T157 HydrophobicContact CG-CG2 3.61Å; E146-T157 WeakPolarHBondContact OE1-CB 3.02Å; E146-T157 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T157 PolarHBondContact OE1-OG1 2.94Å
147Q95.6Very high88.8Confident127 Ų12754.5 Ų54.559%0.59332%0.317SS*.Hα-helixtrans-62.3-43175.9-73.317131.700111.5S143 A144 S150 K151S143-Q147 WeakPolarHBondContact O-CB 3.31Å; S143-Q147 WeakPolarHBondContact O-CG 3.49Å; S143-Q147 PolarHBondContact O-N 3.04Å; S143-Q147 PolarHBondContact OG-NE2 2.87Å; A144-Q147 PolarHBondContact O-N 3.17Å; Q147-S150 PolarHBondContact O-N 3.48Å; Q147-K151 WeakPolarHBondContact O-CB 3.29Å; Q147-K151 PolarHBondContact O-N 2.69Å
148T96.2Very high86.7Confident13 Ų1359 Ų598%0.0834%0.344CS..Hα-helixtrans-64.4-43.8177.3-62.70000111.2K127 L131 A144 A145 K151 L152 E235 L236K127-T148 HydrophobicContact CD-CG2 4.33Å; L131-T148 HydrophobicContact CD2-CG2 3.62Å; A144-T148 WeakPolarHBondContact O-CB 3.42Å; A144-T148 PolarHBondContact O-N 3.34Å; A144-T148 PolarHBondContact O-OG1 3.37Å; A145-T148 PolarHBondContact O-N 3.31Å; T148-K151 PolarHBondContact O-N 3.18Å; T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 WeakPolarHBondContact O-CB 3.16Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å; T148-E235 HydrophobicContact CG2-CG 4.02Å; T148-E235 PolarHBondContact OG1-O 3.36Å; T148-L236 HydrophobicContact CG2-CD2 4.14Å
149A95.6Very high84.6Confident4 Ų467.4 Ų67.43%0.03337%0.37CS..Hα-helixtrans-63.2-43.4175.400000111.8L131 A135 A145 E146 K151 L152 F153L131-A149 HydrophobicContact CD1-CB 4.44Å; L131-A149 HydrophobicContact CD2-CB 4.13Å; L131-A149 HydrophobicContact CG-CB 4.09Å; A135-A149 HydrophobicContact CB-CB 4.11Å; A145-A149 WeakPolarHBondContact O-CB 3.48Å; A145-A149 PolarHBondContact O-N 2.92Å; E146-A149 PolarHBondContact O-N 3.45Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 2.87Å; A149-L152 PolarHBondContact O-N 3.17Å; A149-F153 HydrophobicContact CB-CD2 4.17Å; A149-F153 HydrophobicContact CB-CE2 4.47Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 VanDerWaalsContact O-CD2 3.31Å; A149-F153 WeakPolarHBondContact O-CD2 2.99Å; A149-F153 PolarHBondContact O-N 2.93Å
150S94.6Very high82.4Confident39 Ų3973.8 Ų73.827%0.27339%0.393SS..Hα-helixtrans-60.2-43.7177-58.20000111.3E146 Q147 G154 L155E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 2.76Å; E146-S150 PolarHBondContact O-OG 3.11Å; Q147-S150 PolarHBondContact O-N 3.48Å; S150-G154 WeakPolarHBondContact O-CA 3.32Å; S150-G154 PolarHBondContact O-N 2.95Å; S150-L155 PolarHBondContact OG-O 2.68Å
151K95.1Very high79.7Confident174 Ų17477.3 Ų77.376%0.75741%0.412SS*.Hα-helixtrans-64.8-40.3177.7-178.7-178.7176.3-176.10112.9Q147 T148 A149Q147-K151 WeakPolarHBondContact O-CB 3.29Å; Q147-K151 PolarHBondContact O-N 2.69Å; T148-K151 PolarHBondContact O-N 3.18Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 2.87Å
152L94.8Very high77.3Confident77 Ų7781 Ų8140%0.40345%0.445SS..Hα-helixtrans-82.2-36-174.9-70.5173.9000113.4K127 L131 T148 A149K127-L152 HydrophobicContact CB-CD1 3.96Å; K127-L152 HydrophobicContact CD-CD1 4.31Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 WeakPolarHBondContact O-CB 3.16Å; T148-L152 WeakPolarHBondContact O-CG 3.32Å; T148-L152 PolarHBondContact O-N 3.12Å; A149-L152 PolarHBondContact O-N 3.17Å
153F93.8Very high74.5Confident61 Ų6185.4 Ų85.427%0.26847%0.469SS..Hα-helixtrans-116.2-4-168.2-52.3-53.1000114K127 L131 K132 A149 L155K127-F153 WeakPolarHBondContact O-CZ 3.45Å; L131-F153 HydrophobicContact CG-CE2 4.5Å; K132-F153 HydrophobicContact CB-CD2 4.31Å; K132-F153 HydrophobicContact CB-CE1 4.07Å; K132-F153 HydrophobicContact CB-CE2 3.63Å; K132-F153 HydrophobicContact CB-CZ 3.48Å; K132-F153 VanDerWaalsContact CB-CZ 3.48Å; K132-F153 HydrophobicContact CD-CD1 4.36Å; K132-F153 HydrophobicContact CD-CE1 4.13Å; K132-F153 HydrophobicContact CD-CZ 4.4Å; K132-F153 HydrophobicContact CG-CD1 4.37Å; K132-F153 HydrophobicContact CG-CD2 4.28Å; K132-F153 HydrophobicContact CG-CE1 4.17Å; K132-F153 HydrophobicContact CG-CE2 4.08Å; K132-F153 HydrophobicContact CG-CG 4.43Å; K132-F153 HydrophobicContact CG-CZ 4.01Å; A149-F153 HydrophobicContact CB-CD2 4.17Å; A149-F153 HydrophobicContact CB-CE2 4.47Å; A149-F153 WeakPolarHBondContact O-CB 3.32Å; A149-F153 VanDerWaalsContact O-CD2 3.31Å; A149-F153 WeakPolarHBondContact O-CD2 2.99Å; A149-F153 PolarHBondContact O-N 2.93Å; F153-L155 HydrophobicContact CB-CD1 3.56Å; F153-L155 HydrophobicContact CB-CG 3.96Å; F153-L155 HydrophobicContact CD2-CD1 3.96Å; F153-L155 HydrophobicContact CG-CD1 4.14Å; F153-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact O-N 3.15Å
154G85.2Confident71.9Confident66 Ų6686.6 Ų86.668%0.6848%0.477SS*.  trans6318.3-176.300000113.4S150 S156S150-G154 WeakPolarHBondContact O-CA 3.32Å; S150-G154 PolarHBondContact O-N 2.95Å; G154-S156 PolarHBondContact O-N 3.03Å
155L70.5Confident69.3Low73 Ų7395.3 Ų95.338%0.38251%0.51SS..  trans-68.5101.2175.7-76.2152.9000107.7A135 S150 F153 T157A135-L155 HydrophobicContact CB-CD1 4.23Å; S150-L155 PolarHBondContact OG-O 2.68Å; F153-L155 HydrophobicContact CB-CD1 3.56Å; F153-L155 HydrophobicContact CB-CG 3.96Å; F153-L155 HydrophobicContact CD2-CD1 3.96Å; F153-L155 HydrophobicContact CG-CD1 4.14Å; F153-L155 PolarHBondContact O-N 3.26Å; F153-L155 VanDerWaalsContact O-N 3.15Å; L155-T157 PolarHBondContact O-N 3.34Å
156S58Low66.5Low110 Ų110100.4 Ų100.477%0.76955%0.545SS*.  trans-66.9104.1166.4-177.10000106.7G154 T158G154-S156 PolarHBondContact O-N 3.03Å; S156-T158 PolarHBondContact O-N 3.48Å
157T53.8Low63.5Low63 Ų63101.7 Ų101.739%0.38757%0.567SS.*  trans-63.8106.3172.258.50000107.4E146 L155 R159E146-T157 HydrophobicContact CG-CG2 3.61Å; E146-T157 WeakPolarHBondContact OE1-CB 3.02Å; E146-T157 WeakPolarHBondContact OE1-CG2 3.41Å; E146-T157 PolarHBondContact OE1-OG1 2.94Å; L155-T157 PolarHBondContact O-N 3.34Å; T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 2.96Å
158T46.2Very low60.8Low104 Ų104100.9 Ų100.964%0.63858%0.576SS**  trans-57.7107.9164.246.80000104.7S156 R160S156-T158 PolarHBondContact O-N 3.48Å; T158-R160 PolarHBondContact O-N 3.23Å
159R45.1Very low58Low218 Ų218106.1 Ų106.182%0.82361%0.608SS**  trans-50.889.8153.9-76-174-177.2-174.91.7105.6T157 N161T157-R159 VanDerWaalsContact C-N 3.32Å; T157-R159 PolarHBondContact O-N 2.96Å; R159-N161 PolarHBondContact O-N 3.35Å
160R44.7Very low55.3Low146 Ų146111.5 Ų111.555%0.55164%0.643SS**  trans-7094.9164.1-79.9-171.3-90.7172.6-11.2103.2T158 A162T158-R160 PolarHBondContact O-N 3.23Å; R160-A162 PolarHBondContact O-N 2.82Å
161N34.5Very low52.7Low123 Ų123115 Ų11566%0.65866%0.662SS**  trans-30.6106.9-176.5-65-37.9000111.9R159R159-N161 PolarHBondContact O-N 3.35Å
162A43.3Very low50.2Low95 Ų95115.8 Ų115.879%0.78567%0.666SS**  trans-75.1-4.9152.400000110.7R160 S164R160-A162 PolarHBondContact O-N 2.82Å; A162-S164 PolarHBondContact O-N 2.85Å
163D36.6Very low47.7Very low131 Ų131118 Ų11870%0.70169%0.688SS**  trans-92.368.6179.8-59.2-25000111.4
164S37.9Very low45.5Very low98 Ų98124.7 Ų124.769%0.68572%0.717SS**  trans-144.346155.374.70000111.2A162A162-S164 PolarHBondContact O-N 2.85Å
165F41.5Very low43.8Very low213 Ų213127.1 Ų127.193%0.93472%0.723SS**  trans-124.842.1157.6-93.6-87000109.2
166S38.3Very low42.8Very low106 Ų106128.1 Ų128.174%0.74174%0.737SS**SBendtrans-98.7129.5161.669.80000108.9S168S166-S168 PolarHBondContact O-N 2.82Å
167A32.8Very low42.3Very low94 Ų94128 Ų12878%0.77773%0.731SS**  trans-50.9117.9-17200000113.4
168S38.7Very low41.7Very low111 Ų111133.3 Ų133.378%0.77675%0.751SS**  trans-96.1108.3148.249.90000107.4S166 P170S166-S168 PolarHBondContact O-N 2.82Å; S168-P170 WeakPolarHBondContact O-CD 3.34Å
169V37.6Very low41.6Very low122 Ų122134.8 Ų134.874%0.73976%0.76SS**  trans-72.1127167.6172.60000107.6T171V169-T171 HydrophobicContact CG1-CG2 4.47Å
170P39Very low41.4Very low118 Ų118130.2 Ų130.277%0.76676%0.761SS**  trans-119131.4143.53.318.2000110.5S168S168-P170 WeakPolarHBondContact O-CD 3.34Å
171T39.2Very low41.2Very low112 Ų112134.4 Ų134.469%0.68778%0.777SS**  trans-64.2148.4-179.1520000114.1V169V169-T171 HydrophobicContact CG1-CG2 4.47Å
172K42.1Very low41.1Very low191 Ų191132.2 Ų132.283%0.8378%0.784SS**  trans77.2106.5157.3-61.9172.6-178.7178.60117.6
173S43.2Very low41.1Very low124 Ų124135.6 Ų135.687%0.86779%0.788SS**  168.7153.997.8-730000112
174K47.2Very low41.5Very low200 Ų200138.4 Ų138.487%0.8779%0.794SS**  trans-72.8166.4-167.8-67.7173.4173.4176.20114.2
175S48.7Very low41.7Very low118 Ų118138.9 Ų138.983%0.82580%0.797SS**  trans82.5142.8168.886.90000113.4
176S49.7Very low42.3Very low94 Ų94133.6 Ų133.666%0.65778%0.782SS**  cis-174.3128.6-0125.30000104.9
177V48.7Very low42.8Very low108 Ų108133.9 Ų133.966%0.65578%0.775SS**  trans75.8126.3137.6176.90000119.4
178H40.5Very low43.8Very low173 Ų173137.5 Ų137.580%0.80178%0.776SS**  trans99.7129.6149.2-72.1-30.4000122.3
179T44.7Very low44.8Very low135 Ų135136.8 Ų136.883%0.82878%0.777SS**  trans78.596.7157.262.50000121.2R181T179-R181 PolarHBondContact O-N 2.82Å
180S39.8Very low46.1Very low122 Ų122136.5 Ų136.585%0.85377%0.771SS**  trans-53.2117.4162-32.40000113
181R41Very low47.7Very low234 Ų234134.5 Ų134.588%0.88375%0.754SS**  trans-125.7105.8141.7-78.9-173.8-169164.34.3106.7T179 L183T179-R181 PolarHBondContact O-N 2.82Å; R181-L183 PolarHBondContact O-N 2.81Å
182G32.9Very low49.6Very low77 Ų77130.5 Ų130.579%0.79473%0.728SS**  trans-62.6102.617700000109.8K184G182-K184 PolarHBondContact O-N 3.45Å
183L42.5Very low51.3Low166 Ų166124.1 Ų124.187%0.86971%0.706SS**  trans-61.3113.8155.1-89.779.2000106.2R181 S185R181-L183 PolarHBondContact O-N 2.81Å; L183-S185 PolarHBondContact O-N 2.79Å; L183-S185 VanDerWaalsContact O-N 3.08Å
184K46.1Very low53.6Low190 Ų190118.4 Ų118.483%0.82667%0.667SS**  trans-58.8115165.7-69.3-179.1178.9178.90106.4G182 V186G182-K184 PolarHBondContact O-N 3.45Å; K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.83Å
185S41.6Very low55.9Low109 Ų109109.2 Ų109.276%0.76263%0.628SS**  trans-60.693.4167.6173.60000107.4L183 N187L183-S185 PolarHBondContact O-N 2.79Å; L183-S185 VanDerWaalsContact O-N 3.08Å; S185-N187 PolarHBondContact O-N 2.88Å
186V53.8Low58.2Low102 Ų102104.3 Ų104.362%0.61859%0.592SS**  trans-68121170.3-175.50000105.7K184 E188K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.83Å; V186-E188 PolarHBondContact O-N 2.98Å
187N48.3Very low60.5Low111 Ų111100 Ų10059%0.59456%0.561SS**  trans-60.7102.2173.1-78.5-16.3000108.1S185 A189 N190S185-N187 PolarHBondContact O-N 2.88Å; N187-A189 PolarHBondContact O-N 2.95Å; N187-N190 PolarHBondContact O-N 3.39Å
188E55.4Low62.9Low170 Ų17095 Ų9579%0.79453%0.531SS*.G310 helixtrans-53.8-25.3-176.9-158.4163-153.900112.6V186 N190 L191V186-E188 PolarHBondContact O-N 2.98Å; E188-N190 PolarHBondContact O-N 2.83Å; E188-N190 VanDerWaalsContact O-N 3.15Å; E188-L191 WeakPolarHBondContact O-CB 3.43Å; E188-L191 PolarHBondContact O-N 2.87Å
189A60.2Low65.7Low97 Ų9786.7 Ų86.780%0.80249%0.492SS*.G310 helixtrans-61.7-17.217500000115.3N187N187-A189 PolarHBondContact O-N 2.95Å
190N64.5Low68.3Low115 Ų11580.4 Ų80.462%0.61545%0.454SS*.G310 helixtrans-106.86.9-179.9-70.4-20.5000113.5N187 E188 I192 S269N187-N190 PolarHBondContact O-N 3.39Å; E188-N190 PolarHBondContact O-N 2.83Å; E188-N190 VanDerWaalsContact O-N 3.15Å; N190-I192 PolarHBondContact O-N 2.95Å; N190-S269 PolarHBondContact O-OG 3.12Å
191L72.5Confident71.1Confident76 Ų7674.6 Ų74.640%0.39841%0.413SS..  trans-71.8128.8-177.9-169.761.3000110.7E188 S269 V273E188-L191 WeakPolarHBondContact O-CB 3.43Å; E188-L191 PolarHBondContact O-N 2.87Å; L191-S269 WeakPolarHBondContact CD1-O 2.8Å; L191-V273 HydrophobicContact CD1-CG2 3.9Å; L191-V273 HydrophobicContact CD2-CG2 3.57Å; L191-V273 HydrophobicContact CG-CG2 3.72Å
192I78.7Confident73.8Confident29 Ų2963.6 Ų63.615%0.14937%0.372CS..  trans-91.1115172.9-58.7173.8000107N190 G194 I196 K265 V266N190-I192 PolarHBondContact O-N 2.95Å; I192-G194 VanDerWaalsContact CG2-O 3.31Å; I192-G194 WeakPolarHBondContact CG2-O 3.4Å; I192-G194 PolarHBondContact O-N 2.85Å; I192-I196 HydrophobicContact CD1-CD1 4.3Å; I192-I196 HydrophobicContact CG2-CG1 4.35Å; I192-K265 HydrophobicContact CD1-CB 4.46Å; I192-K265 HydrophobicContact CD1-CD 4.13Å; I192-K265 HydrophobicContact CD1-CG 3.76Å; I192-V266 HydrophobicContact CB-CG2 4.44Å; I192-V266 HydrophobicContact CD1-CG2 4.03Å; I192-V266 HydrophobicContact CG2-CG2 4.1Å
193P78.4Confident76.9Confident56 Ų5661 Ų6136%0.36434%0.343SS..  trans-68.7-21.8-167.225.8-34.6000113.3I140 V273I140-P193 HydrophobicContact CB-CB 4.3Å; I140-P193 WeakPolarHBondContact CB-O 3.5Å; I140-P193 HydrophobicContact CG2-CB 3.82Å; P193-V273 WeakPolarHBondContact O-CB 3.32Å; P193-V273 PolarHBondContact O-N 2.77Å
194G90.7Very high79.5Confident4 Ų453.7 Ų53.74%0.04131%0.306CS..SBendtrans-163.5-164.7-17800000112.4I192I192-G194 VanDerWaalsContact CG2-O 3.31Å; I192-G194 WeakPolarHBondContact CG2-O 3.4Å; I192-G194 PolarHBondContact O-N 2.85Å
195P95.8Very high82Confident8 Ų847.2 Ų47.25%0.05228%0.28CS..PPolyproline II helixtrans-62141.9179.921.1-29.9000112.2A108 H109 I111 I139 F197A108-P195 HydrophobicContact CB-CB 4.03Å; A108-P195 HydrophobicContact CB-CG 4.3Å; A108-P195 WeakPolarHBondContact O-CB 3.32Å; H109-P195 WeakPolarHBondContact O-CA 3.37Å; I111-P195 HydrophobicContact CD1-CB 4.01Å; I111-P195 HydrophobicContact CD1-CG 3.58Å; I111-P195 HydrophobicContact CG1-CB 3.8Å; I111-P195 HydrophobicContact CG1-CG 3.98Å; I139-P195 HydrophobicContact CD1-CG 4.19Å; P195-F197 HydrophobicContact CG-CE1 4.22Å
196I97.1Very high84.6Confident15 Ų1543.9 Ų43.98%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-75.1135.8169.2-67.7178.3000109.3H109 V110 I111 I192 E239 C262 K265 V266H109-I196 PolarHBondContact O-N 3.17Å; V110-I196 CarbonylContact C-O 3.52Å; V110-I196 VanDerWaalsContact CA-O 3.31Å; V110-I196 WeakPolarHBondContact CA-O 3.19Å; V110-I196 WeakPolarHBondContact CG1-O 3.36Å; I111-I196 PolarHBondContact N-O 3.11Å; I192-I196 HydrophobicContact CD1-CD1 4.3Å; I192-I196 HydrophobicContact CG2-CG1 4.35Å; I196-E239 HydrophobicContact CG2-CB 3.71Å; I196-C262 HydrophobicContact CB-CB 4.07Å; I196-C262 HydrophobicContact CD1-CB 3.88Å; I196-C262 HydrophobicContact CG2-CB 3.88Å; I196-K265 HydrophobicContact CD1-CD 3.97Å; I196-V266 HydrophobicContact CD1-CG2 3.78Å; I196-V266 HydrophobicContact CG1-CG2 3.77Å
197F98.1Very high86.7Confident3 Ų341.6 Ų41.61%0.01323%0.234CC..EExtended strand (participates in β ladder)trans-90.9138.7176.1-68.2-0.8000111I111 L113 L134 L141 A145 P195 A238 E239I111-F197 HydrophobicContact CB-CD1 3.93Å; I111-F197 HydrophobicContact CB-CE1 4.12Å; I111-F197 HydrophobicContact CD1-CE1 4Å; I111-F197 HydrophobicContact CG1-CE1 4.46Å; I111-F197 WeakPolarHBondContact O-CA 3.22Å; L113-F197 HydrophobicContact CD1-CB 4.2Å; L113-F197 HydrophobicContact CD1-CD2 3.9Å; L113-F197 HydrophobicContact CD1-CG 4.14Å; L134-F197 HydrophobicContact CD1-CE1 4.3Å; L134-F197 HydrophobicContact CD1-CE2 4.18Å; L134-F197 HydrophobicContact CD1-CZ 3.73Å; L141-F197 HydrophobicContact CD2-CE2 4.4Å; L141-F197 HydrophobicContact CD2-CZ 3.75Å; A145-F197 HydrophobicContact CB-CD2 4.38Å; A145-F197 HydrophobicContact CB-CE2 3.73Å; P195-F197 HydrophobicContact CG-CE1 4.22Å; F197-A238 HydrophobicContact CB-CB 4.03Å; F197-A238 CarbonylContact O-C 3.54Å; F197-A238 VanDerWaalsContact O-CA 3.24Å; F197-A238 WeakPolarHBondContact O-CA 3.48Å; F197-A238 WeakPolarHBondContact O-CB 3.32Å; F197-E239 PolarHBondContact O-N 3.27Å
198L98.7Very high89Confident2 Ų242.8 Ų42.81%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-126.5129.8168.2-68.1177.8000108.1V110 I111 L112 L113 I200 E239 A240 L258 A259V110-L198 HydrophobicContact CG1-CD1 3.81Å; V110-L198 HydrophobicContact CG1-CG 4.08Å; I111-L198 PolarHBondContact O-N 3.44Å; L112-L198 HydrophobicContact CD2-CB 3.87Å; L112-L198 HydrophobicContact CD2-CD1 3.93Å; L113-L198 PolarHBondContact N-O 3.43Å; L198-I200 HydrophobicContact CB-CD1 4.29Å; L198-E239 HydrophobicContact CD2-CB 4.14Å; L198-A240 HydrophobicContact CD2-CB 3.96Å; L198-L258 HydrophobicContact CD1-CB 4.07Å; L198-A259 HydrophobicContact CD1-CB 4.11Å
199L98.8Very high91Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-93.1126.5177.4-174.170.3000109.9L113 F115 L126 A229 L232 A233 A238 A240 Y241 V242L113-L199 HydrophobicContact CB-CD1 3.98Å; F115-L199 HydrophobicContact CD1-CD1 4.1Å; F115-L199 HydrophobicContact CD1-CG 4.42Å; F115-L199 HydrophobicContact CE1-CD1 4.15Å; F115-L199 HydrophobicContact CE1-CD2 4.21Å; F115-L199 HydrophobicContact CE1-CG 3.99Å; L126-L199 HydrophobicContact CD1-CD1 3.41Å; L126-L199 VanDerWaalsContact CD1-CD1 3.41Å; L199-A229 HydrophobicContact CD2-CB 4.42Å; L199-A229 WeakPolarHBondContact CD2-O 3.41Å; L199-L232 HydrophobicContact CD2-CB 4.37Å; L199-L232 HydrophobicContact CD2-CG 4.47Å; L199-A233 HydrophobicContact CB-CB 4.02Å; L199-A233 HydrophobicContact CD2-CB 3.78Å; L199-A238 HydrophobicContact CB-CB 4.39Å; L199-A240 PolarHBondContact N-O 3.45Å; L199-Y241 HydrophobicContact CB-CD2 4.03Å; L199-Y241 HydrophobicContact CD2-CD2 3.77Å; L199-Y241 HydrophobicContact CD2-CE2 4.31Å; L199-Y241 HydrophobicContact CD2-CG 4.4Å; L199-Y241 HydrophobicContact CG-CD2 3.8Å; L199-Y241 HydrophobicContact CG-CE2 4.36Å; L199-Y241 VanDerWaalsContact O-CA 3.31Å; L199-Y241 WeakPolarHBondContact O-CA 3.39Å; L199-Y241 WeakPolarHBondContact O-CD2 3.43Å; L199-V242 PolarHBondContact O-N 3.42Å
200I98.9Very high92.7Very high2 Ų239.4 Ų39.41%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-122.7115.9-173.8-48.9-61000110.8L52 L112 L113 C114 F115 L198 V242 C244 V255L52-I200 HydrophobicContact CD2-CG2 4.32Å; L112-I200 HydrophobicContact CB-CG1 4.23Å; L112-I200 HydrophobicContact CD2-CD1 3.68Å; L112-I200 HydrophobicContact CD2-CG1 3.61Å; L113-I200 PolarHBondContact O-N 3.24Å; C114-I200 WeakPolarHBondContact CA-O 3.12Å; F115-I200 VanDerWaalsContact CD1-O 3.25Å; F115-I200 WeakPolarHBondContact CD1-O 3.46Å; F115-I200 PolarHBondContact N-O 3.47Å; L198-I200 HydrophobicContact CB-CD1 4.29Å; I200-V242 CarbonylContact C-O 3.57Å; I200-V242 WeakPolarHBondContact CA-O 3.39Å; I200-V242 HydrophobicContact CD1-CB 4.34Å; I200-C244 VanDerWaalsContact CG2-SG 3.55Å; I200-V255 HydrophobicContact CD1-CB 4.47Å; I200-V255 HydrophobicContact CD1-CG1 3.74Å; I200-V255 HydrophobicContact CD1-CG2 4.05Å; I200-V255 HydrophobicContact CG1-CG1 4.33Å; I200-V255 HydrophobicContact CG2-CG2 4.34Å
201G98.8Very high94.2Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-90.296.6172.100000111V242 E243 C244G201-V242 PolarHBondContact N-O 2.87Å; G201-E243 CarbonylContact O-C 3.58Å; G201-E243 VanDerWaalsContact O-CA 3.26Å; G201-E243 WeakPolarHBondContact O-CA 3.4Å; G201-C244 PolarHBondContact O-N 3.23Å
202C98.6Very high95.3Very high4 Ų436.7 Ų36.73%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-79.4160.3-179.1-60.10000112.8V47 F115 S116 V117 C204 C244V47-C202 WeakPolarHBondContact O-CB 3.47Å; F115-C202 WeakPolarHBondContact O-CB 3.4Å; F115-C202 PolarHBondContact O-N 3.3Å; S116-C202 WeakPolarHBondContact CA-O 3.38Å; V117-C202 PolarHBondContact N-O 3.06Å; C202-C204 PolarHBondContact O-N 3.42Å; C202-C244 CarbonylContact C-O 3.49Å
203A97.5Very high96.2Very high23 Ų2338.5 Ų38.519%0.1921%0.209CC..  trans60.439176.400000113.9D205 L206 C244A203-D205 PolarHBondContact O-N 3.05Å; A203-L206 HydrophobicContact CB-CD1 4.13Å; A203-L206 HydrophobicContact CB-CG 4.4Å; A203-L206 PolarHBondContact O-N 2.89Å; A203-L206 VanDerWaalsContact O-N 3.08Å; A203-C244 PolarHBondContact N-O 3.47Å
204C97.9Very high97.1Very high11 Ų1140.8 Ų40.87%0.07422%0.218CC..G310 helixtrans-68-15.5-179.770.40000114.4V117 C202 L206 R207 E243 C244V117-C204 HydrophobicContact CG2-CB 4.27Å; C202-C204 PolarHBondContact O-N 3.42Å; C204-L206 PolarHBondContact O-N 2.88Å; C204-R207 WeakPolarHBondContact O-CB 3.36Å; C204-R207 PolarHBondContact O-N 2.93Å; C204-E243 HydrophobicContact CB-CB 3.98Å; C204-C244 PolarHBondContact N-O 3.22Å; C204-C244 PolarHBondContact SG-O 3.22Å
205D97.5Very high97.4Very high54 Ų5445.8 Ų45.829%0.28924%0.24SC..G310 helixtrans-62.9-27.416954.6-73.4000112.8A203 R207 S245 T248A203-D205 PolarHBondContact O-N 3.05Å; D205-R207 VanDerWaalsContact C-N 3.35Å; D205-S245 WeakPolarHBondContact OD1-CB 3.43Å; D205-S245 PolarHBondContact OD1-OG 2.65Å; D205-T248 HydrophobicContact CB-CG2 3.98Å
206L97.3Very high97.5Very high40 Ų4046 Ų4621%0.20924%0.241CC..G310 helixtrans-86-3.8-178.8-57.8-176.8000113.7V118 A203 C204 N208 D209 R212V118-L206 HydrophobicContact CG1-CB 3.84Å; V118-L206 WeakPolarHBondContact CG1-O 3.38Å; V118-L206 HydrophobicContact CG2-CB 4.03Å; V118-L206 HydrophobicContact CG2-CD1 4.19Å; A203-L206 HydrophobicContact CB-CD1 4.13Å; A203-L206 HydrophobicContact CB-CG 4.4Å; A203-L206 PolarHBondContact O-N 2.89Å; A203-L206 VanDerWaalsContact O-N 3.08Å; C204-L206 PolarHBondContact O-N 2.88Å; L206-N208 PolarHBondContact O-N 2.69Å; L206-N208 VanDerWaalsContact O-N 3.12Å; L206-D209 HydrophobicContact CB-CB 4.36Å; L206-D209 HydrophobicContact CD2-CB 4.31Å; L206-D209 WeakPolarHBondContact O-CB 3.25Å; L206-D209 PolarHBondContact O-N 3.1Å; L206-R212 HydrophobicContact CB-CG 4.49Å
207R96.9Very high97.5Very high53 Ų5349.3 Ų49.320%0.227%0.265CS..G310 helixtrans-55.1-34.9-176180177.9-74.2-750.6112.8C204 D205 P223 I224 E243C204-R207 WeakPolarHBondContact O-CB 3.36Å; C204-R207 PolarHBondContact O-N 2.93Å; D205-R207 VanDerWaalsContact C-N 3.35Å; R207-P223 HydrophobicContact CG-CB 4.22Å; R207-I224 VanDerWaalsContact CZ-O 3.24Å; R207-I224 PolarHBondContact NH1-O 3.45Å; R207-I224 PolarHBondContact NH2-O 2.99Å; R207-E243 IonicContact CZ-OE1 2.76Å; R207-E243 IonicContact NE-OE2 3.66Å; R207-E243 IonicContact NH2-OE1 3.4Å; R207-E243 PolarHBondContact NH2-OE1 3.15Å; R207-E243 IonicContact NH2-OE2 3.02Å
208N96.3Very high97.4Very high137 Ų13757.4 Ų57.473%0.73330%0.3SS*.G310 helixtrans-108.111.1179.7-60.1-30.5000112.7L206 I210L206-N208 PolarHBondContact O-N 2.69Å; L206-N208 VanDerWaalsContact O-N 3.12Å; N208-I210 PolarHBondContact O-N 3.26Å
209D97.1Very high97.3Very high67 Ų6762.3 Ų62.336%0.35833%0.33SS..  trans-68.3122.1177.5177.674.1000110.2L206 G211 R212 L213L206-D209 HydrophobicContact CB-CB 4.36Å; L206-D209 HydrophobicContact CD2-CB 4.31Å; L206-D209 WeakPolarHBondContact O-CB 3.25Å; L206-D209 PolarHBondContact O-N 3.1Å; D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.35Å; D209-G211 WeakPolarHBondContact OD2-CA 3.26Å; D209-G211 PolarHBondContact OD2-N 3.41Å; D209-G211 VanDerWaalsContact OD2-N 3.08Å; D209-R212 HydrophobicContact CB-CB 4.27Å; D209-R212 HydrophobicContact CB-CG 4.22Å; D209-R212 PolarHBondContact O-N 3.06Å; D209-R212 WeakPolarHBondContact OD2-CG 3.39Å; D209-R212 PolarHBondContact OD2-N 3.5Å; D209-L213 VanDerWaalsContact O-CG 3.31Å; D209-L213 WeakPolarHBondContact O-CG 3.43Å; D209-L213 PolarHBondContact O-N 2.7Å
210I97.1Very high97.2Very high128 Ų12865.8 Ų65.866%0.65637%0.366SS*.Hα-helixtrans-60.1-39.9-174.9-62.1171.6000110.9N208 L213 L214N208-I210 PolarHBondContact O-N 3.26Å; I210-L213 PolarHBondContact O-N 3.32Å; I210-L214 HydrophobicContact CG2-CD1 4Å; I210-L214 HydrophobicContact CG2-CG 4.36Å; I210-L214 WeakPolarHBondContact O-CB 3.02Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.38Å
211G96.5Very high97.2Very high35 Ų3568.4 Ų68.436%0.36138%0.378SS..Hα-helixtrans-60.5-49.317900000111.6D209 L214 E215D209-G211 VanDerWaalsContact C-N 3.27Å; D209-G211 PolarHBondContact O-N 3.35Å; D209-G211 WeakPolarHBondContact OD2-CA 3.26Å; D209-G211 PolarHBondContact OD2-N 3.41Å; D209-G211 VanDerWaalsContact OD2-N 3.08Å; G211-L214 PolarHBondContact O-N 2.89Å; G211-E215 WeakPolarHBondContact O-CG 3.46Å; G211-E215 PolarHBondContact O-N 2.92Å
212R95.6Very high97.1Very high99 Ų9973.7 Ų73.737%0.37440%0.403SS..Hα-helixtrans-66-39.8178.2-63.7-63.1158.492.94.6113L206 D209 L214 E215 L216L206-R212 HydrophobicContact CB-CG 4.49Å; D209-R212 HydrophobicContact CB-CB 4.27Å; D209-R212 HydrophobicContact CB-CG 4.22Å; D209-R212 PolarHBondContact O-N 3.06Å; D209-R212 WeakPolarHBondContact OD2-CG 3.39Å; D209-R212 PolarHBondContact OD2-N 3.5Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; R212-E215 IonicContact NE-OE2 3.76Å; R212-E215 PolarHBondContact O-N 3.12Å; R212-L216 WeakPolarHBondContact O-CG 3.38Å; R212-L216 PolarHBondContact O-N 2.85Å
213L97.5Very high97.1Very high68 Ų6874.4 Ų74.436%0.35641%0.407SS..Hα-helixtrans-62.5-40.8175.7-69.3175.6000111.9D209 I210 S217 P223D209-L213 VanDerWaalsContact O-CG 3.31Å; D209-L213 WeakPolarHBondContact O-CG 3.43Å; D209-L213 PolarHBondContact O-N 2.7Å; I210-L213 PolarHBondContact O-N 3.32Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.76Å; L213-P223 HydrophobicContact CD2-CG 3.63Å
214L97.4Very high97.1Very high104 Ų10474 Ų7455%0.54540%0.401SS..Hα-helixtrans-66.5-38.3175.2-72173000112.3I210 G211 R212 K218I210-L214 HydrophobicContact CG2-CD1 4Å; I210-L214 HydrophobicContact CG2-CG 4.36Å; I210-L214 WeakPolarHBondContact O-CB 3.02Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.38Å; G211-L214 PolarHBondContact O-N 2.89Å; R212-L214 VanDerWaalsContact C-N 3.34Å; R212-L214 PolarHBondContact O-N 2.88Å; L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 3.12Å
215E96.4Very high97.1Very high108 Ų10876.5 Ų76.551%0.50541%0.414SS..Hα-helixtrans-63.9-45.9175.4-74.5173.4-179.500112.2G211 R212 K218G211-E215 WeakPolarHBondContact O-CG 3.46Å; G211-E215 PolarHBondContact O-N 2.92Å; R212-E215 IonicContact NE-OE2 3.76Å; R212-E215 PolarHBondContact O-N 3.12Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.41Å
216L97.3Very high97.1Very high14 Ų1476.7 Ų76.77%0.07341%0.413CS..Hα-helixtrans-65.6-41.8177.4-71.1169.8000111.7P120 R212 K218 V219 G220 E221 P223P120-L216 HydrophobicContact CG-CD2 4.16Å; R212-L216 WeakPolarHBondContact O-CG 3.38Å; R212-L216 PolarHBondContact O-N 2.85Å; L216-K218 VanDerWaalsContact C-N 3.27Å; L216-K218 PolarHBondContact O-N 3.4Å; L216-V219 CarbonylContact O-C 3.31Å; L216-V219 WeakPolarHBondContact O-CG2 3.32Å; L216-V219 PolarHBondContact O-N 3.28Å; L216-G220 PolarHBondContact O-N 2.86Å; L216-G220 VanDerWaalsContact O-N 3.15Å; L216-E221 CarbonylContact C-O 3.57Å; L216-E221 VanDerWaalsContact C-O 3.31Å; L216-E221 HydrophobicContact CB-CB 4.47Å; L216-E221 WeakPolarHBondContact CB-O 3.48Å; L216-E221 HydrophobicContact CD2-CB 4.04Å; L216-E221 PolarHBondContact O-N 3.09Å; L216-P223 HydrophobicContact CD1-CG 3.86Å
217S96.8Very high97.1Very high84 Ų8479.4 Ų79.459%0.58742%0.424SS*.Hα-helixtrans-60.4-35.6178-179.10000112.7L213 V219 G220L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.33Å; L213-S217 PolarHBondContact O-N 2.76Å; S217-V219 PolarHBondContact O-N 2.62Å; S217-G220 PolarHBondContact O-N 2.87Å; S217-G220 VanDerWaalsContact O-N 3.09Å
218K97.2Very high97.2Very high173 Ų17381.5 Ų81.575%0.75244%0.435SS*.Hα-helixtrans-59.8-28.4176-73.6167.7-173.3174.90113.4L214 E215 L216L214-K218 VanDerWaalsContact O-CG 3.32Å; L214-K218 WeakPolarHBondContact O-CG 3.49Å; L214-K218 PolarHBondContact O-N 3.12Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.41Å; L216-K218 VanDerWaalsContact C-N 3.27Å; L216-K218 PolarHBondContact O-N 3.4Å
219V96.3Very high97.3Very high105 Ų10575 Ų7564%0.63640%0.4SS*.THydrogen-bonded Turntrans-105.48179-63.70000112.9L216 S217 E221L216-V219 CarbonylContact O-C 3.31Å; L216-V219 WeakPolarHBondContact O-CG2 3.32Å; L216-V219 PolarHBondContact O-N 3.28Å; S217-V219 PolarHBondContact O-N 2.62Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 HydrophobicContact CG2-CB 4.12Å; V219-E221 HydrophobicContact CG2-CG 4.04Å; V219-E221 PolarHBondContact O-N 2.82Å
220G97.2Very high97.4Very high72 Ų7274.5 Ų74.574%0.74240%0.396SS*.THydrogen-bonded Turntrans69.725.7-179.800000113.9L216 S217L216-G220 PolarHBondContact O-N 2.86Å; L216-G220 VanDerWaalsContact O-N 3.15Å; S217-G220 PolarHBondContact O-N 2.87Å; S217-G220 VanDerWaalsContact O-N 3.09Å
221E97.2Very high97.4Very high58 Ų5872.4 Ų72.427%0.27139%0.391SS..  trans-109.9167.9176.8-64-157.4143.800112.2P120 R124 L216 V219P120-E221 WeakPolarHBondContact CB-OE2 3.33Å; P120-E221 WeakPolarHBondContact CD-OE2 3.22Å; P120-E221 HydrophobicContact CG-CB 4.28Å; P120-E221 WeakPolarHBondContact CG-OE2 3.42Å; R124-E221 IonicContact CZ-OE1 3.57Å; R124-E221 IonicContact NH1-OE1 3.69Å; R124-E221 PolarHBondContact NH1-OE1 2.7Å; R124-E221 IonicContact NH1-OE2 3.44Å; R124-E221 IonicContact NH2-OE1 2.66Å; R124-E221 PolarHBondContact NH2-OE1 2.75Å; L216-E221 CarbonylContact C-O 3.57Å; L216-E221 VanDerWaalsContact C-O 3.31Å; L216-E221 HydrophobicContact CB-CB 4.47Å; L216-E221 WeakPolarHBondContact CB-O 3.48Å; L216-E221 HydrophobicContact CD2-CB 4.04Å; L216-E221 PolarHBondContact O-N 3.09Å; V219-E221 VanDerWaalsContact C-N 3.3Å; V219-E221 HydrophobicContact CG2-CB 4.12Å; V219-E221 HydrophobicContact CG2-CG 4.04Å; V219-E221 PolarHBondContact O-N 2.82Å
222E97.7Very high97.5Very high111 Ų11170.9 Ų70.952%0.51938%0.375SS..  trans-136.2158.2177.961.3-178.9-176.700109.3P120 K228P120-E222 WeakPolarHBondContact CG-O 3.39Å; E222-K228 IonicContact OE1-NZ 2.72Å; E222-K228 PolarHBondContact OE1-NZ 2.87Å
223P98.2Very high97.7Very high18 Ų1866.5 Ų66.512%0.11736%0.359CS..PPolyproline II helixtrans-53.2143.1168.9-24.834.6000111.1V117 V118 R207 L213 L216 D225V117-P223 CarbonylContact O-C 3.6Å; V117-P223 VanDerWaalsContact O-CA 3.24Å; V117-P223 WeakPolarHBondContact O-CA 3.34Å; V118-P223 HydrophobicContact CG1-CB 4.46Å; V118-P223 HydrophobicContact CG1-CG 4.48Å; R207-P223 HydrophobicContact CG-CB 4.22Å; L213-P223 HydrophobicContact CD2-CG 3.63Å; L216-P223 HydrophobicContact CD1-CG 3.86Å; P223-D225 PolarHBondContact O-N 3.35Å
224I98.5Very high97.7Very high14 Ų1469.4 Ų69.47%0.07237%0.374CS..PPolyproline II helixtrans-59.2123.2-177.8-65.2-59.2000110.1F115 V117 P120 F123 R207 A229F115-I224 HydrophobicContact CE2-CB 4.02Å; F115-I224 HydrophobicContact CE2-CG1 4.17Å; F115-I224 HydrophobicContact CE2-CG2 3.88Å; F115-I224 HydrophobicContact CZ-CG2 4.32Å; V117-I224 PolarHBondContact O-N 3.33Å; P120-I224 HydrophobicContact CB-CD1 3.62Å; P120-I224 HydrophobicContact CB-CG1 4.34Å; P120-I224 HydrophobicContact CG-CD1 4.02Å; P120-I224 HydrophobicContact CG-CG1 4.4Å; F123-I224 HydrophobicContact CB-CD1 3.83Å; F123-I224 HydrophobicContact CB-CG1 3.82Å; F123-I224 HydrophobicContact CD1-CD1 3.89Å; F123-I224 HydrophobicContact CD1-CG1 4.49Å; F123-I224 HydrophobicContact CD1-CG2 4.48Å; F123-I224 HydrophobicContact CD2-CG1 4.48Å; F123-I224 HydrophobicContact CD2-CG2 3.98Å; F123-I224 HydrophobicContact CE2-CG2 4.09Å; F123-I224 HydrophobicContact CG-CD1 3.91Å; F123-I224 HydrophobicContact CG-CG1 4.03Å; F123-I224 HydrophobicContact CG-CG2 4.17Å; F123-I224 HydrophobicContact CZ-CG2 4.38Å; R207-I224 VanDerWaalsContact CZ-O 3.24Å; R207-I224 PolarHBondContact NH1-O 3.45Å; R207-I224 PolarHBondContact NH2-O 2.99Å; I224-A229 HydrophobicContact CG2-CB 4.2Å
225D97.3Very high97.7Very high65 Ų6567.3 Ų67.335%0.34836%0.362SS..PPolyproline II helixtrans-66.5146.2176.5-168.528.4000111.8P223 E227 K228 A229P223-D225 PolarHBondContact O-N 3.35Å; D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 VanDerWaalsContact CG-OE2 3.25Å; D225-E227 PolarHBondContact O-N 3.21Å; D225-K228 HydrophobicContact CB-CB 4.31Å; D225-K228 HydrophobicContact CB-CD 3.85Å; D225-K228 HydrophobicContact CB-CG 3.98Å; D225-K228 WeakPolarHBondContact O-CB 3.36Å; D225-K228 PolarHBondContact O-N 2.98Å; D225-A229 PolarHBondContact O-N 2.78Å; D225-A229 VanDerWaalsContact O-N 3.17Å
226K97.5Very high97.8Very high58 Ų5862.3 Ų62.325%0.25234%0.338SS..Hα-helixtrans-65.8-41.2-172.2-164.5-168.4-179.9-124.50110.5K228 A229 E230 Y241K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.77Å; K226-A229 WeakPolarHBondContact O-CB 3.18Å; K226-A229 PolarHBondContact O-N 2.76Å; K226-A229 VanDerWaalsContact O-N 3.11Å; K226-E230 VanDerWaalsContact CE-OE1 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.57Å; K226-E230 PolarHBondContact NZ-OE1 2.86Å; K226-E230 WeakPolarHBondContact O-CG 3.34Å; K226-E230 PolarHBondContact O-N 2.86Å; K226-Y241 HydrophobicContact CG-CE1 3.8Å
227E98Very high97.8Very high96 Ų9663.1 Ų63.145%0.44935%0.35SS..Hα-helixtrans-62.8-41179.3-70.570.4-16400110.6D225 A229 E230 C231D225-E227 VanDerWaalsContact C-N 3.31Å; D225-E227 VanDerWaalsContact CG-OE2 3.25Å; D225-E227 PolarHBondContact O-N 3.21Å; E227-A229 VanDerWaalsContact C-N 3.31Å; E227-A229 PolarHBondContact O-N 2.7Å; E227-E230 PolarHBondContact O-N 3.04Å; E227-C231 WeakPolarHBondContact O-CB 3.49Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 2.66Å
228K98.1Very high97.9Very high98 Ų9859.9 Ų59.943%0.42633%0.328SS..Hα-helixtrans-60.7-42.2174.2-68.5175-171.4164.40110.8F123 E222 D225 K226 L232F123-K228 WeakPolarHBondContact CZ-O 3.44Å; E222-K228 IonicContact OE1-NZ 2.72Å; E222-K228 PolarHBondContact OE1-NZ 2.87Å; D225-K228 HydrophobicContact CB-CB 4.31Å; D225-K228 HydrophobicContact CB-CD 3.85Å; D225-K228 HydrophobicContact CB-CG 3.98Å; D225-K228 WeakPolarHBondContact O-CB 3.36Å; D225-K228 PolarHBondContact O-N 2.98Å; K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.77Å; K228-L232 PolarHBondContact O-N 2.99Å; K228-L232 VanDerWaalsContact O-N 3.14Å
229A98.6Very high97.9Very high0 Ų056 Ų560%031%0.313CS..Hα-helixtrans-70.2-40.4178.300000113.1F115 F123 L199 I224 D225 K226 E227 C231 L232 A233 Y241F115-A229 HydrophobicContact CE1-CB 4.4Å; F115-A229 HydrophobicContact CZ-CB 3.8Å; F123-A229 HydrophobicContact CE2-CB 3.92Å; F123-A229 HydrophobicContact CZ-CB 4.5Å; L199-A229 HydrophobicContact CD2-CB 4.42Å; L199-A229 WeakPolarHBondContact CD2-O 3.41Å; I224-A229 HydrophobicContact CG2-CB 4.2Å; D225-A229 PolarHBondContact O-N 2.78Å; D225-A229 VanDerWaalsContact O-N 3.17Å; K226-A229 WeakPolarHBondContact O-CB 3.18Å; K226-A229 PolarHBondContact O-N 2.76Å; K226-A229 VanDerWaalsContact O-N 3.11Å; E227-A229 VanDerWaalsContact C-N 3.31Å; E227-A229 PolarHBondContact O-N 2.7Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 2.74Å; A229-L232 PolarHBondContact O-N 2.8Å; A229-A233 PolarHBondContact O-N 3.18Å; A229-Y241 HydrophobicContact CB-CD1 4.24Å; A229-Y241 HydrophobicContact CB-CD2 4.26Å; A229-Y241 HydrophobicContact CB-CE1 3.62Å; A229-Y241 HydrophobicContact CB-CE2 3.71Å; A229-Y241 WeakPolarHBondContact CB-OH 3.45Å
230E98.6Very high98Very high57 Ų5751.8 Ų51.827%0.26629%0.289SS..Hα-helixtrans-61.2-41.4173.4-72177.6178.400111.8K226 E227 L232 A233 I234 Y241K226-E230 VanDerWaalsContact CE-OE1 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.57Å; K226-E230 PolarHBondContact NZ-OE1 2.86Å; K226-E230 WeakPolarHBondContact O-CG 3.34Å; K226-E230 PolarHBondContact O-N 2.86Å; E227-E230 PolarHBondContact O-N 3.04Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.47Å; E230-A233 WeakPolarHBondContact O-CB 3.41Å; E230-A233 PolarHBondContact O-N 2.8Å; E230-I234 WeakPolarHBondContact O-CG1 3.45Å; E230-I234 PolarHBondContact O-N 3.24Å; E230-Y241 HydrophobicContact CG-CD1 3.59Å; E230-Y241 HydrophobicContact CG-CE1 4.28Å; E230-Y241 HydrophobicContact CG-CG 4.42Å
231C98.5Very high98Very high83 Ų8349.1 Ų49.156%0.56126%0.257SS*.Hα-helixtrans-59.7-43.5174.1-70.60000111.8E227 A229 I234 E235E227-C231 WeakPolarHBondContact O-CB 3.49Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 2.66Å; A229-C231 VanDerWaalsContact C-N 3.33Å; A229-C231 PolarHBondContact O-N 2.74Å; C231-I234 PolarHBondContact O-N 2.8Å; C231-E235 WeakPolarHBondContact O-CB 2.99Å; C231-E235 PolarHBondContact O-N 3.36Å
232L98.5Very high98.1Very high4 Ų447 Ų472%0.02125%0.248CC..Hα-helixtrans-65.4-39.6176.5179.362.4000111.9F123 L126 K127 L199 K228 A229 E230 I234 E235 L236F123-L232 HydrophobicContact CD2-CD2 3.94Å; F123-L232 HydrophobicContact CE1-CD2 4.16Å; F123-L232 HydrophobicContact CE2-CB 3.99Å; F123-L232 HydrophobicContact CE2-CD2 3.37Å; F123-L232 HydrophobicContact CE2-CG 4.29Å; F123-L232 HydrophobicContact CZ-CB 3.64Å; F123-L232 HydrophobicContact CZ-CD2 3.5Å; F123-L232 VanDerWaalsContact CZ-CD2 3.5Å; F123-L232 HydrophobicContact CZ-CG 4.18Å; L126-L232 HydrophobicContact CB-CD2 4.17Å; L126-L232 HydrophobicContact CD1-CD2 3.81Å; K127-L232 HydrophobicContact CD-CD1 3.4Å; K127-L232 HydrophobicContact CG-CD1 3.43Å; K127-L232 VanDerWaalsContact CG-CD1 3.43Å; L199-L232 HydrophobicContact CD2-CB 4.37Å; L199-L232 HydrophobicContact CD2-CG 4.47Å; K228-L232 PolarHBondContact O-N 2.99Å; K228-L232 VanDerWaalsContact O-N 3.14Å; A229-L232 PolarHBondContact O-N 2.8Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.47Å; L232-I234 VanDerWaalsContact C-N 3.29Å; L232-I234 PolarHBondContact O-N 3.06Å; L232-E235 PolarHBondContact O-N 3.3Å; L232-L236 HydrophobicContact CD1-CD1 3.87Å; L232-L236 HydrophobicContact CD1-CD2 4.36Å; L232-L236 HydrophobicContact CD1-CG 3.82Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 3.95Å; L232-L236 HydrophobicContact CG-CG 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.29Å; L232-L236 PolarHBondContact O-N 2.76Å
233A98.6Very high98.1Very high6 Ų643 Ų435%0.0523%0.229CC..Hα-helixtrans-58-44.5176.300000111.1L199 A229 E230 L236 G237 A238L199-A233 HydrophobicContact CB-CB 4.02Å; L199-A233 HydrophobicContact CD2-CB 3.78Å; A229-A233 PolarHBondContact O-N 3.18Å; E230-A233 WeakPolarHBondContact O-CB 3.41Å; E230-A233 PolarHBondContact O-N 2.8Å; A233-L236 PolarHBondContact O-N 2.62Å; A233-G237 PolarHBondContact O-N 2.79Å; A233-G237 VanDerWaalsContact O-N 3.15Å; A233-A238 HydrophobicContact CB-CB 4.12Å; A233-A238 WeakPolarHBondContact O-CB 3.39Å; A233-A238 PolarHBondContact O-N 2.88Å
234I98.4Very high98.2Very high130 Ų13042.2 Ų42.267%0.66722%0.224SC*.Hα-helixtrans-63.7-46.4175.2-64.4165.7000110.9E230 C231 L232 L236 G237E230-I234 WeakPolarHBondContact O-CG1 3.45Å; E230-I234 PolarHBondContact O-N 3.24Å; C231-I234 PolarHBondContact O-N 2.8Å; L232-I234 VanDerWaalsContact C-N 3.29Å; L232-I234 PolarHBondContact O-N 3.06Å; I234-L236 VanDerWaalsContact C-N 3.26Å; I234-L236 PolarHBondContact O-N 3.38Å; I234-G237 PolarHBondContact O-N 3.45Å
235E97.9Very high98.2Very high60 Ų6041.6 Ų41.628%0.2822%0.22SC..Hα-helixtrans-58.3-35.7179-175-178.5174.500112.5K127 T148 C231 L232K127-E235 WeakPolarHBondContact CD-OE1 3.5Å; K127-E235 IonicContact NZ-OE1 2.71Å; K127-E235 PolarHBondContact NZ-OE1 3.4Å; K127-E235 IonicContact NZ-OE2 3.21Å; K127-E235 PolarHBondContact NZ-OE2 3.2Å; T148-E235 HydrophobicContact CG2-CG 4.02Å; T148-E235 PolarHBondContact OG1-O 3.36Å; C231-E235 WeakPolarHBondContact O-CB 2.99Å; C231-E235 PolarHBondContact O-N 3.36Å; L232-E235 PolarHBondContact O-N 3.3Å
236L97.7Very high98.2Very high3 Ų339 Ų392%0.01621%0.209CC..THydrogen-bonded Turntrans-89.4-1178.2-61.4-177.4000113.8L113 K127 L131 N142 T148 L232 A233 I234 A238L113-L236 HydrophobicContact CD1-CD1 3.89Å; K127-L236 HydrophobicContact CG-CD2 4.44Å; L131-L236 HydrophobicContact CD1-CD2 4.34Å; L131-L236 HydrophobicContact CD2-CD2 3.79Å; N142-L236 PolarHBondContact ND2-O 3.46Å; N142-L236 PolarHBondContact OD1-O 3.16Å; T148-L236 HydrophobicContact CG2-CD2 4.14Å; L232-L236 HydrophobicContact CD1-CD1 3.87Å; L232-L236 HydrophobicContact CD1-CD2 4.36Å; L232-L236 HydrophobicContact CD1-CG 3.82Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 3.95Å; L232-L236 HydrophobicContact CG-CG 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.29Å; L232-L236 PolarHBondContact O-N 2.76Å; A233-L236 PolarHBondContact O-N 2.62Å; I234-L236 VanDerWaalsContact C-N 3.26Å; I234-L236 PolarHBondContact O-N 3.38Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.39Å
237G97.3Very high98.1Very high31 Ų3140.7 Ų40.732%0.3222%0.22SC..THydrogen-bonded Turntrans63.830.9-175.500000113.5A233 I234A233-G237 PolarHBondContact O-N 2.79Å; A233-G237 VanDerWaalsContact O-N 3.15Å; I234-G237 PolarHBondContact O-N 3.45Å
238A98.1Very high98.1Very high16 Ų1640.1 Ų40.113%0.13222%0.223CC..  trans-70.7140.4173.300000110.6F197 L199 A233 L236 A240F197-A238 HydrophobicContact CB-CB 4.03Å; F197-A238 CarbonylContact O-C 3.54Å; F197-A238 VanDerWaalsContact O-CA 3.24Å; F197-A238 WeakPolarHBondContact O-CA 3.48Å; F197-A238 WeakPolarHBondContact O-CB 3.32Å; L199-A238 HydrophobicContact CB-CB 4.39Å; A233-A238 HydrophobicContact CB-CB 4.12Å; A233-A238 WeakPolarHBondContact O-CB 3.39Å; A233-A238 PolarHBondContact O-N 2.88Å; L236-A238 VanDerWaalsContact C-N 3.27Å; L236-A238 PolarHBondContact O-N 3.39Å; A238-A240 VanDerWaalsContact C-N 3.29Å; A238-A240 PolarHBondContact O-N 3.47Å
239E97.1Very high98Very high91 Ų9139.8 Ų39.843%0.42522%0.223SC..SBendtrans-70.4-29.4-178.6-170.785.3-178.300111.3I196 F197 L198 W261 K265I196-E239 HydrophobicContact CG2-CB 3.71Å; F197-E239 PolarHBondContact O-N 3.27Å; L198-E239 HydrophobicContact CD2-CB 4.14Å; E239-W261 HydrophobicContact CG-CZ3 3.99Å; E239-K265 IonicContact OE1-NZ 3.11Å; E239-K265 PolarHBondContact OE1-NZ 3.17Å; E239-K265 IonicContact OE2-NZ 3.31Å; E239-K265 PolarHBondContact OE2-NZ 2.88Å
240A98.1Very high98Very high16 Ų1645.1 Ų45.113%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-154.5159.8175.900000112.7L198 L199 A238 L258L198-A240 HydrophobicContact CD2-CB 3.96Å; L199-A240 PolarHBondContact N-O 3.45Å; A238-A240 VanDerWaalsContact C-N 3.29Å; A238-A240 PolarHBondContact O-N 3.47Å; A240-L258 HydrophobicContact CB-CD1 4.15Å
241Y98.7Very high98Very high17 Ų1745.5 Ų45.57%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-114.6133.9164.5169.9-122.2000110.1F115 L199 K226 A229 E230 E243F115-Y241 AromaticContact CE1-CE2 3.73Å; F115-Y241 HydrophobicContact CE1-CE2 3.73Å; F115-Y241 AromaticContact CZ-CE2 3.81Å; F115-Y241 HydrophobicContact CZ-CE2 3.81Å; L199-Y241 HydrophobicContact CB-CD2 4.03Å; L199-Y241 HydrophobicContact CD2-CD2 3.77Å; L199-Y241 HydrophobicContact CD2-CE2 4.31Å; L199-Y241 HydrophobicContact CD2-CG 4.4Å; L199-Y241 HydrophobicContact CG-CD2 3.8Å; L199-Y241 HydrophobicContact CG-CE2 4.36Å; L199-Y241 VanDerWaalsContact O-CA 3.31Å; L199-Y241 WeakPolarHBondContact O-CA 3.39Å; L199-Y241 WeakPolarHBondContact O-CD2 3.43Å; K226-Y241 HydrophobicContact CG-CE1 3.8Å; A229-Y241 HydrophobicContact CB-CD1 4.24Å; A229-Y241 HydrophobicContact CB-CD2 4.26Å; A229-Y241 HydrophobicContact CB-CE1 3.62Å; A229-Y241 HydrophobicContact CB-CE2 3.71Å; A229-Y241 WeakPolarHBondContact CB-OH 3.45Å; E230-Y241 HydrophobicContact CG-CD1 3.59Å; E230-Y241 HydrophobicContact CG-CE1 4.28Å; E230-Y241 HydrophobicContact CG-CG 4.42Å; Y241-E243 HydrophobicContact CE1-CG 4Å; Y241-E243 HydrophobicContact CE2-CG 4.3Å; Y241-E243 WeakPolarHBondContact OH-CG 3.36Å; Y241-E243 PolarHBondContact OH-OE1 3.46Å
242V98.7Very high97.9Very high14 Ų1442.1 Ų42.19%0.08523%0.226CC..EExtended strand (participates in β ladder)trans-135.9127.5176.5-175.80000110.5L199 I200 G201 N251 T254 V255 L258L199-V242 PolarHBondContact O-N 3.42Å; I200-V242 CarbonylContact C-O 3.57Å; I200-V242 WeakPolarHBondContact CA-O 3.39Å; I200-V242 HydrophobicContact CD1-CB 4.34Å; G201-V242 PolarHBondContact N-O 2.87Å; V242-N251 HydrophobicContact CG1-CB 3.87Å; V242-T254 HydrophobicContact CG1-CG2 4.45Å; V242-V255 HydrophobicContact CB-CG2 4.15Å; V242-V255 HydrophobicContact CG1-CG2 3.76Å; V242-L258 HydrophobicContact CG2-CD1 3.52Å
243E98.6Very high97.8Very high27 Ų2748.2 Ų48.213%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-86.3133163.4-70.5-168.2-176.600110.8V117 G201 C204 R207 Y241 N251V117-E243 HydrophobicContact CG1-CG 4.24Å; G201-E243 CarbonylContact O-C 3.58Å; G201-E243 VanDerWaalsContact O-CA 3.26Å; G201-E243 WeakPolarHBondContact O-CA 3.4Å; C204-E243 HydrophobicContact CB-CB 3.98Å; R207-E243 IonicContact CZ-OE1 2.76Å; R207-E243 IonicContact NE-OE2 3.66Å; R207-E243 IonicContact NH2-OE1 3.4Å; R207-E243 PolarHBondContact NH2-OE1 3.15Å; R207-E243 IonicContact NH2-OE2 3.02Å; Y241-E243 HydrophobicContact CE1-CG 4Å; Y241-E243 HydrophobicContact CE2-CG 4.3Å; Y241-E243 WeakPolarHBondContact OH-CG 3.36Å; Y241-E243 PolarHBondContact OH-OE1 3.46Å; E243-N251 WeakPolarHBondContact O-CB 3.4Å; E243-N251 PolarHBondContact O-ND2 2.83Å
244C98.6Very high97.8Very high1 Ų150.7 Ų50.71%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-139.9159.6-179.767.80000112.8I200 G201 C202 A203 C204 K250 N251 V255I200-C244 VanDerWaalsContact CG2-SG 3.55Å; G201-C244 PolarHBondContact O-N 3.23Å; C202-C244 CarbonylContact C-O 3.49Å; A203-C244 PolarHBondContact N-O 3.47Å; C204-C244 PolarHBondContact N-O 3.22Å; C204-C244 PolarHBondContact SG-O 3.22Å; C244-K250 VanDerWaalsContact CA-O 3.25Å; C244-K250 WeakPolarHBondContact CA-O 3.24Å; C244-K250 WeakPolarHBondContact CB-O 3.49Å; C244-N251 HydrophobicContact CB-CB 4.2Å; C244-V255 HydrophobicContact CB-CG2 3.96Å
245S98.4Very high97.8Very high0 Ų044.6 Ų44.60%024%0.236CC..  trans-127.8117171.5171.80000108.5D205 L247 T248 Q249 K250D205-S245 WeakPolarHBondContact OD1-CB 3.43Å; D205-S245 PolarHBondContact OD1-OG 2.65Å; S245-L247 PolarHBondContact O-N 3.09Å; S245-L247 PolarHBondContact OG-N 3.49Å; S245-T248 WeakPolarHBondContact CB-OG1 3.25Å; S245-T248 PolarHBondContact OG-N 3.43Å; S245-T248 PolarHBondContact OG-OG1 3.06Å; S245-Q249 CarbonylContact O-C 3.41Å; S245-Q249 WeakPolarHBondContact O-CA 3.36Å; S245-Q249 PolarHBondContact O-N 3.29Å; S245-K250 PolarHBondContact N-O 3.5Å; S245-K250 PolarHBondContact O-N 3.03Å
246A98Very high97.9Very high12 Ų1241.7 Ų41.710%0.09922%0.222CC..THydrogen-bonded Turntrans-67.7-29.4172.700000111.7S51 S55 Y61S51-A246 WeakPolarHBondContact O-CB 3.48Å; S55-A246 WeakPolarHBondContact CB-O 3.42Å; S55-A246 PolarHBondContact OG-O 3.15Å; Y61-A246 HydrophobicContact CD2-CB 4.02Å; Y61-A246 HydrophobicContact CE2-CB 3.9Å
247L96.6Very high97.9Very high93 Ų9344.6 Ų44.649%0.48724%0.238SC..THydrogen-bonded Turntrans-72-47.1-178.9177.963.2000112.1Y61 S245Y61-L247 HydrophobicContact CD1-CD1 3.91Å; Y61-L247 HydrophobicContact CD2-CB 4.12Å; Y61-L247 HydrophobicContact CD2-CD1 4.37Å; Y61-L247 HydrophobicContact CE1-CD1 4.14Å; Y61-L247 HydrophobicContact CE2-CB 3.91Å; Y61-L247 HydrophobicContact CG-CD1 4.02Å; S245-L247 PolarHBondContact O-N 3.09Å; S245-L247 PolarHBondContact OG-N 3.49Å
248T96.6Very high97.9Very high84 Ų8445.4 Ų45.452%0.51524%0.235SC..THydrogen-bonded Turntrans-94-0.3-179.563.80000112.9D205 S245 K250D205-T248 HydrophobicContact CB-CG2 3.98Å; S245-T248 WeakPolarHBondContact CB-OG1 3.25Å; S245-T248 PolarHBondContact OG-N 3.43Å; S245-T248 PolarHBondContact OG-OG1 3.06Å; T248-K250 PolarHBondContact O-N 3.06Å; T248-K250 VanDerWaalsContact O-N 3.09Å
249Q96.9Very high97.9Very high90 Ų9044.7 Ų44.742%0.42123%0.228SC..  trans57.314.7-172.5-56.6-176.1-23.800114.8S245 N251 L252S245-Q249 CarbonylContact O-C 3.41Å; S245-Q249 WeakPolarHBondContact O-CA 3.36Å; S245-Q249 PolarHBondContact O-N 3.29Å; Q249-N251 PolarHBondContact O-N 2.94Å; Q249-L252 HydrophobicContact CB-CB 4.4Å; Q249-L252 HydrophobicContact CB-CD2 4.16Å; Q249-L252 HydrophobicContact CG-CD2 4.06Å; Q249-L252 WeakPolarHBondContact O-CB 3.37Å; Q249-L252 PolarHBondContact O-N 3Å
250K98.2Very high97.9Very high112 Ų11240.8 Ų40.849%0.48721%0.21SC..THydrogen-bonded Turntrans-59.9124.7176.3-177.9179174.8-174.40110.4C244 S245 T248 L252C244-K250 VanDerWaalsContact CA-O 3.25Å; C244-K250 WeakPolarHBondContact CA-O 3.24Å; C244-K250 WeakPolarHBondContact CB-O 3.49Å; S245-K250 PolarHBondContact N-O 3.5Å; S245-K250 PolarHBondContact O-N 3.03Å; T248-K250 PolarHBondContact O-N 3.06Å; T248-K250 VanDerWaalsContact O-N 3.09Å; K250-L252 PolarHBondContact O-N 3.41Å; K250-L252 VanDerWaalsContact O-N 3.09Å
251N98.3Very high97.9Very high66 Ų6646.3 Ų46.335%0.35323%0.228SC..THydrogen-bonded Turntrans5714.2-179.2-63.4-22.2000115.2V242 E243 C244 Q249 K253 T254 V255V242-N251 HydrophobicContact CG1-CB 3.87Å; E243-N251 WeakPolarHBondContact O-CB 3.4Å; E243-N251 PolarHBondContact O-ND2 2.83Å; C244-N251 HydrophobicContact CB-CB 4.2Å; Q249-N251 PolarHBondContact O-N 2.94Å; N251-K253 PolarHBondContact O-N 2.86Å; N251-T254 WeakPolarHBondContact O-CB 3.43Å; N251-T254 PolarHBondContact O-N 3.37Å; N251-V255 WeakPolarHBondContact O-CG2 3.11Å; N251-V255 PolarHBondContact O-N 3.38Å
252L97.5Very high97.8Very high11 Ų1145.5 Ų45.56%0.05823%0.225CC..Hα-helixtrans-58.5-51.5-179.4-178.466.4000111.3L52 S55 Y56 Q249 K250 T254 V255 F256L52-L252 HydrophobicContact CD1-CD1 3.43Å; L52-L252 VanDerWaalsContact CD1-CD1 3.43Å; L52-L252 HydrophobicContact CG-CD1 4.23Å; S55-L252 VanDerWaalsContact OG-CD2 3.3Å; S55-L252 WeakPolarHBondContact OG-CD2 3.28Å; Y56-L252 HydrophobicContact CD2-CG 4.37Å; Q249-L252 HydrophobicContact CB-CB 4.4Å; Q249-L252 HydrophobicContact CB-CD2 4.16Å; Q249-L252 HydrophobicContact CG-CD2 4.06Å; Q249-L252 WeakPolarHBondContact O-CB 3.37Å; Q249-L252 PolarHBondContact O-N 3Å; K250-L252 PolarHBondContact O-N 3.41Å; K250-L252 VanDerWaalsContact O-N 3.09Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.34Å; L252-V255 PolarHBondContact O-N 3.09Å; L252-F256 HydrophobicContact CD1-CD2 4.43Å; L252-F256 HydrophobicContact CD1-CE2 4.05Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 2.84Å
253K96.5Very high97.7Very high132 Ų13244.8 Ų44.857%0.57422%0.221SC*.Hα-helixtrans-59.7-41.5175.8-166-169.5-174.9-55.80111.7N251 V255 F256 D257N251-K253 PolarHBondContact O-N 2.86Å; K253-V255 VanDerWaalsContact C-N 3.32Å; K253-V255 PolarHBondContact O-N 3.04Å; K253-F256 PolarHBondContact O-N 3.23Å; K253-D257 IonicContact NZ-OD1 2.62Å; K253-D257 PolarHBondContact NZ-OD1 3.5Å; K253-D257 IonicContact NZ-OD2 2.88Å; K253-D257 PolarHBondContact NZ-OD2 3.05Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 3.17Å
254T98.2Very high97.6Very high59 Ų5944.4 Ų44.436%0.36222%0.219SC..Hα-helixtrans-58.5-42.2179.6-51.70000112.2V242 N251 L252 L258V242-T254 HydrophobicContact CG1-CG2 4.45Å; N251-T254 WeakPolarHBondContact O-CB 3.43Å; N251-T254 PolarHBondContact O-N 3.37Å; L252-T254 VanDerWaalsContact C-N 3.31Å; L252-T254 PolarHBondContact O-N 3.34Å; T254-L258 HydrophobicContact CG2-CD1 4.12Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.31Å; T254-L258 WeakPolarHBondContact O-CG 3.43Å; T254-L258 PolarHBondContact O-N 3.13Å
255V98.6Very high97.4Very high1 Ų148 Ų481%0.00624%0.235CC..Hα-helixtrans-59.7-49.5177.7172.90000111L52 L112 I200 V242 C244 N251 L252 K253 A259L52-V255 HydrophobicContact CD2-CG1 4.26Å; L112-V255 HydrophobicContact CD2-CG1 3.84Å; I200-V255 HydrophobicContact CD1-CB 4.47Å; I200-V255 HydrophobicContact CD1-CG1 3.74Å; I200-V255 HydrophobicContact CD1-CG2 4.05Å; I200-V255 HydrophobicContact CG1-CG1 4.33Å; I200-V255 HydrophobicContact CG2-CG2 4.34Å; V242-V255 HydrophobicContact CB-CG2 4.15Å; V242-V255 HydrophobicContact CG1-CG2 3.76Å; C244-V255 HydrophobicContact CB-CG2 3.96Å; N251-V255 WeakPolarHBondContact O-CG2 3.11Å; N251-V255 PolarHBondContact O-N 3.38Å; L252-V255 PolarHBondContact O-N 3.09Å; K253-V255 VanDerWaalsContact C-N 3.32Å; K253-V255 PolarHBondContact O-N 3.04Å; V255-A259 PolarHBondContact O-N 3.42Å
256F98.2Very high97.2Very high0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-77.2-33-176.7-71.1-77000113.1L52 Y56 L86 I88 L252 K253 L258 A259 I260L52-F256 HydrophobicContact CG-CE2 4.01Å; L52-F256 HydrophobicContact CG-CZ 4.23Å; Y56-F256 HydrophobicContact CD1-CB 4.44Å; Y56-F256 AromaticContact CD1-CD1 3.94Å; Y56-F256 HydrophobicContact CD1-CD1 3.94Å; Y56-F256 AromaticContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CD2 3.73Å; Y56-F256 HydrophobicContact CD1-CE1 4.07Å; Y56-F256 AromaticContact CD1-CE2 3.88Å; Y56-F256 HydrophobicContact CD1-CE2 3.88Å; Y56-F256 AromaticContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CG 3.76Å; Y56-F256 HydrophobicContact CD1-CZ 4.04Å; Y56-F256 HydrophobicContact CD2-CB 4.05Å; Y56-F256 AromaticContact CD2-CD2 3.3Å; Y56-F256 HydrophobicContact CD2-CD2 3.3Å; Y56-F256 AromaticContact CD2-CE2 3.92Å; Y56-F256 HydrophobicContact CD2-CE2 3.92Å; Y56-F256 AromaticContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CD2-CG 3.79Å; Y56-F256 HydrophobicContact CE1-CB 4Å; Y56-F256 AromaticContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD1 3.96Å; Y56-F256 HydrophobicContact CE1-CD2 4.17Å; Y56-F256 HydrophobicContact CE1-CE1 4.5Å; Y56-F256 AromaticContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE1-CG 3.77Å; Y56-F256 HydrophobicContact CE2-CB 3.56Å; Y56-F256 AromaticContact CE2-CD2 3.79Å; Y56-F256 HydrophobicContact CE2-CD2 3.79Å; Y56-F256 AromaticContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CE2-CG 3.8Å; Y56-F256 HydrophobicContact CG-CB 4.45Å; Y56-F256 HydrophobicContact CG-CD1 4.33Å; Y56-F256 AromaticContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CD2 3.26Å; Y56-F256 HydrophobicContact CG-CE1 4.45Å; Y56-F256 AromaticContact CG-CE2 3.42Å; Y56-F256 HydrophobicContact CG-CE2 3.42Å; Y56-F256 VanDerWaalsContact CG-CE2 3.42Å; Y56-F256 AromaticContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CG 3.76Å; Y56-F256 HydrophobicContact CG-CZ 4.03Å; Y56-F256 AromaticContact CZ-CG 3.78Å; L86-F256 HydrophobicContact CD2-CD1 4.15Å; I88-F256 HydrophobicContact CD1-CD1 4.12Å; I88-F256 HydrophobicContact CD1-CE1 3.71Å; I88-F256 HydrophobicContact CD1-CZ 4.43Å; I88-F256 HydrophobicContact CG1-CE1 4.23Å; I88-F256 HydrophobicContact CG2-CE1 4.12Å; L252-F256 HydrophobicContact CD1-CD2 4.43Å; L252-F256 HydrophobicContact CD1-CE2 4.05Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 PolarHBondContact O-N 2.84Å; K253-F256 PolarHBondContact O-N 3.23Å; F256-L258 VanDerWaalsContact C-N 3.34Å; F256-L258 PolarHBondContact O-N 3.25Å; F256-A259 PolarHBondContact O-N 3.09Å; F256-I260 WeakPolarHBondContact O-CB 3.31Å; F256-I260 VanDerWaalsContact O-CD1 3.31Å; F256-I260 WeakPolarHBondContact O-CD1 3.48Å; F256-I260 WeakPolarHBondContact O-CG1 3.45Å; F256-I260 PolarHBondContact O-N 3.21Å
257D97.7Very high97Very high64 Ų6448.5 Ų48.534%0.34224%0.239SC..Hα-helixtrans-59.6-44.4171-74.2-10.2000111.2K253 I260 W261K253-D257 IonicContact NZ-OD1 2.62Å; K253-D257 PolarHBondContact NZ-OD1 3.5Å; K253-D257 IonicContact NZ-OD2 2.88Å; K253-D257 PolarHBondContact NZ-OD2 3.05Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 3.17Å; D257-I260 PolarHBondContact O-N 3.25Å; D257-W261 WeakPolarHBondContact O-CB 3.03Å; D257-W261 PolarHBondContact O-N 2.97Å
258L98.2Very high96.8Very high48 Ų4849.2 Ų49.225%0.25124%0.243SC..Hα-helixtrans-65.1-40.1175.5-75.3170.3000111.7L198 A240 V242 T254 F256 W261 C262L198-L258 HydrophobicContact CD1-CB 4.07Å; A240-L258 HydrophobicContact CB-CD1 4.15Å; V242-L258 HydrophobicContact CG2-CD1 3.52Å; T254-L258 HydrophobicContact CG2-CD1 4.12Å; T254-L258 WeakPolarHBondContact O-CB 3.27Å; T254-L258 VanDerWaalsContact O-CG 3.31Å; T254-L258 WeakPolarHBondContact O-CG 3.43Å; T254-L258 PolarHBondContact O-N 3.13Å; F256-L258 VanDerWaalsContact C-N 3.34Å; F256-L258 PolarHBondContact O-N 3.25Å; L258-W261 PolarHBondContact O-N 3Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.3Å; L258-C262 PolarHBondContact O-N 3.22Å; L258-C262 PolarHBondContact O-SG 3.22Å
259A98.3Very high96.5Very high0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-63.8-42.3175.900000111.7V110 L198 V255 F256 G263V110-A259 HydrophobicContact CG1-CB 4.31Å; V110-A259 WeakPolarHBondContact CG2-O 3.45Å; L198-A259 HydrophobicContact CD1-CB 4.11Å; V255-A259 PolarHBondContact O-N 3.42Å; F256-A259 PolarHBondContact O-N 3.09Å; A259-G263 PolarHBondContact O-N 3.39Å
260I97.9Very high96.1Very high9 Ų945.4 Ų45.45%0.04624%0.242CC..Hα-helixtrans-62.1-50.2174.8-67.4155.4000109.8V77 A79 V84 L86 F256 D257 C262 G263 L264V77-I260 HydrophobicContact CB-CD1 4.48Å; V77-I260 HydrophobicContact CG2-CD1 3.66Å; V77-I260 HydrophobicContact CG2-CG1 4.23Å; A79-I260 HydrophobicContact CB-CG2 3.84Å; V84-I260 HydrophobicContact CG1-CG2 4.34Å; V84-I260 HydrophobicContact CG2-CG2 4.4Å; L86-I260 HydrophobicContact CD1-CG1 4.16Å; L86-I260 HydrophobicContact CD2-CD1 4.18Å; L86-I260 HydrophobicContact CD2-CG1 3.96Å; F256-I260 WeakPolarHBondContact O-CB 3.31Å; F256-I260 VanDerWaalsContact O-CD1 3.31Å; F256-I260 WeakPolarHBondContact O-CD1 3.48Å; F256-I260 WeakPolarHBondContact O-CG1 3.45Å; F256-I260 PolarHBondContact O-N 3.21Å; D257-I260 PolarHBondContact O-N 3.25Å; I260-C262 PolarHBondContact O-N 3.42Å; I260-G263 PolarHBondContact O-N 2.95Å; I260-L264 HydrophobicContact CG2-CD1 3.97Å; I260-L264 HydrophobicContact CG2-CG 4.3Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 2.88Å
261W97.1Very high95.5Very high132 Ų13240.8 Ų40.850%0.523%0.226SC..Hα-helixtrans-59.3-47.3-179.7179.284.8000112.4E239 D257 L258 G263 L264 K265E239-W261 HydrophobicContact CG-CZ3 3.99Å; D257-W261 WeakPolarHBondContact O-CB 3.03Å; D257-W261 PolarHBondContact O-N 2.97Å; L258-W261 PolarHBondContact O-N 3Å; W261-G263 PolarHBondContact O-N 2.94Å; W261-L264 PolarHBondContact O-N 3.4Å; W261-K265 HydrophobicContact CH2-CD 4.34Å; W261-K265 PolarHBondContact O-N 2.92Å; W261-K265 VanDerWaalsContact O-N 3.13Å
262C97.2Very high94.7Very high0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-62.5-43.3175.5-69.40000111.4V110 I196 L258 I260 L264 K265 V266V110-C262 HydrophobicContact CG2-CB 3.74Å; I196-C262 HydrophobicContact CB-CB 4.07Å; I196-C262 HydrophobicContact CD1-CB 3.88Å; I196-C262 HydrophobicContact CG2-CB 3.88Å; L258-C262 VanDerWaalsContact O-CB 3.31Å; L258-C262 WeakPolarHBondContact O-CB 3.3Å; L258-C262 PolarHBondContact O-N 3.22Å; L258-C262 PolarHBondContact O-SG 3.22Å; I260-C262 PolarHBondContact O-N 3.42Å; C262-L264 PolarHBondContact O-N 2.89Å; C262-K265 WeakPolarHBondContact O-CB 3.27Å; C262-K265 PolarHBondContact O-N 3.27Å; C262-V266 PolarHBondContact O-N 3.04Å; C262-V266 VanDerWaalsContact O-N 3.11Å
263G96.9Very high93.6Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-65.8-38.9-178.800000113.2A259 I260 W261 V266 A267A259-G263 PolarHBondContact O-N 3.39Å; I260-G263 PolarHBondContact O-N 2.95Å; W261-G263 PolarHBondContact O-N 2.94Å; G263-V266 PolarHBondContact O-N 3.43Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.08Å
264L95.3Very high92.3Very high19 Ų1937.6 Ų37.610%0.09922%0.217CC..Hα-helixtrans-64.2-39.9173.2-69.6177.2000111.7T35 V37 A79 V84 I260 W261 C262 V266 A267 D268T35-L264 HydrophobicContact CG2-CD2 3.83Å; V37-L264 HydrophobicContact CG2-CD2 3.91Å; V37-L264 HydrophobicContact CG2-CG 4.21Å; A79-L264 HydrophobicContact CB-CD1 3.84Å; V84-L264 HydrophobicContact CG1-CD2 4.37Å; V84-L264 HydrophobicContact CG2-CD1 4.09Å; V84-L264 HydrophobicContact CG2-CD2 3.88Å; V84-L264 HydrophobicContact CG2-CG 4.41Å; I260-L264 HydrophobicContact CG2-CD1 3.97Å; I260-L264 HydrophobicContact CG2-CG 4.3Å; I260-L264 WeakPolarHBondContact O-CB 3.38Å; I260-L264 VanDerWaalsContact O-CG 3.3Å; I260-L264 WeakPolarHBondContact O-CG 3.48Å; I260-L264 PolarHBondContact O-N 2.88Å; W261-L264 PolarHBondContact O-N 3.4Å; C262-L264 PolarHBondContact O-N 2.89Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 2.94Å; L264-A267 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-CB 3.32Å; L264-D268 WeakPolarHBondContact O-CB 3.07Å; L264-D268 PolarHBondContact O-N 3.44Å
265K94.6Very high90.7Very high75 Ų7537.4 Ų37.433%0.32621%0.214SC..Hα-helixtrans-58.1-40.8173.9-172-170.3171.7-173.70111.7I192 I196 E239 W261 C262 S269I192-K265 HydrophobicContact CD1-CB 4.46Å; I192-K265 HydrophobicContact CD1-CD 4.13Å; I192-K265 HydrophobicContact CD1-CG 3.76Å; I196-K265 HydrophobicContact CD1-CD 3.97Å; E239-K265 IonicContact OE1-NZ 3.11Å; E239-K265 PolarHBondContact OE1-NZ 3.17Å; E239-K265 IonicContact OE2-NZ 3.31Å; E239-K265 PolarHBondContact OE2-NZ 2.88Å; W261-K265 HydrophobicContact CH2-CD 4.34Å; W261-K265 PolarHBondContact O-N 2.92Å; W261-K265 VanDerWaalsContact O-N 3.13Å; C262-K265 WeakPolarHBondContact O-CB 3.27Å; C262-K265 PolarHBondContact O-N 3.27Å; K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 PolarHBondContact O-OG 3.38Å
266V94.8Very high88.6Confident0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-67.9-47.9174.5176.60000111.3H109 I192 I196 C262 G263 L264 D268 S269 G270 G271 P272H109-V266 HydrophobicContact CB-CB 4.37Å; H109-V266 HydrophobicContact CB-CG1 4.4Å; I192-V266 HydrophobicContact CB-CG2 4.44Å; I192-V266 HydrophobicContact CD1-CG2 4.03Å; I192-V266 HydrophobicContact CG2-CG2 4.1Å; I196-V266 HydrophobicContact CD1-CG2 3.78Å; I196-V266 HydrophobicContact CG1-CG2 3.77Å; C262-V266 PolarHBondContact O-N 3.04Å; C262-V266 VanDerWaalsContact O-N 3.11Å; G263-V266 PolarHBondContact O-N 3.43Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-V266 PolarHBondContact O-N 2.94Å; V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 3.47Å; V266-S269 WeakPolarHBondContact O-CB 3.35Å; V266-S269 PolarHBondContact O-N 3.1Å; V266-S269 VanDerWaalsContact O-N 3.09Å; V266-G270 PolarHBondContact O-N 3.4Å; V266-G271 WeakPolarHBondContact O-CA 3.07Å; V266-G271 PolarHBondContact O-N 2.56Å; V266-P272 HydrophobicContact CG1-CB 4.26Å
267A93.2Very high86.3Confident24 Ų2455.9 Ų55.920%0.19829%0.29CS..Hα-helixtrans-59.8-43.4179.500000112.1T35 G263 L264 S269 G270T35-A267 HydrophobicContact CG2-CB 3.79Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.08Å; L264-A267 PolarHBondContact O-N 3.25Å; A267-S269 PolarHBondContact O-N 2.98Å; A267-G270 PolarHBondContact O-N 2.91Å
268D92.1Very high83.6Confident107 Ų10757.4 Ų57.457%0.57230%0.304SS*.Hα-helixtrans-67.7-21.3178.5-67.6-14.4000112.7R82 L264 V266 G270R82-D268 IonicContact CZ-OD1 2.76Å; R82-D268 VanDerWaalsContact NH1-CG 3.26Å; R82-D268 IonicContact NH1-OD1 3.48Å; R82-D268 PolarHBondContact NH1-OD1 3.5Å; R82-D268 IonicContact NH1-OD2 2.69Å; R82-D268 PolarHBondContact NH1-OD2 2.79Å; R82-D268 IonicContact NH2-OD1 3.52Å; R82-D268 PolarHBondContact NH2-OD1 3.41Å; L264-D268 VanDerWaalsContact O-CB 3.32Å; L264-D268 WeakPolarHBondContact O-CB 3.07Å; L264-D268 PolarHBondContact O-N 3.44Å; V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 3.47Å; D268-G270 VanDerWaalsContact C-N 3.29Å
269S91.2Very high80.5Confident23 Ų2364.3 Ų64.316%0.16133%0.331CS..THydrogen-bonded Turntrans-85.61.9173.6-53.40000113.2N190 L191 K265 V266 A267N190-S269 PolarHBondContact O-OG 3.12Å; L191-S269 WeakPolarHBondContact CD1-O 2.8Å; K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 PolarHBondContact O-OG 3.38Å; V266-S269 WeakPolarHBondContact O-CB 3.35Å; V266-S269 PolarHBondContact O-N 3.1Å; V266-S269 VanDerWaalsContact O-N 3.09Å; A267-S269 PolarHBondContact O-N 2.98Å
270G88.3Confident77.8Confident72 Ų7269.8 Ų69.874%0.74237%0.37SS*.THydrogen-bonded Turntrans104.27.4-179.700000115.1V266 A267 D268V266-G270 PolarHBondContact O-N 3.4Å; A267-G270 PolarHBondContact O-N 2.91Å; D268-G270 VanDerWaalsContact C-N 3.29Å
271G85.7Confident74.8Confident14 Ų1477.2 Ų77.214%0.14441%0.41CS..SBendtrans89.8172.8-175.300000113V266V266-G271 WeakPolarHBondContact O-CA 3.07Å; V266-G271 PolarHBondContact O-N 2.56Å
272P81.7Confident71.8Confident18 Ų1873.7 Ų73.712%0.11741%0.414CS..PPolyproline II helixtrans-68.4136.6176.429.6-34.3000110.5A108 V266 L274A108-P272 WeakPolarHBondContact O-CB 3.11Å; A108-P272 WeakPolarHBondContact O-CG 3.15Å; V266-P272 HydrophobicContact CG1-CB 4.26Å; P272-L274 PolarHBondContact O-N 3.06Å
273V74.3Confident68.9Low52 Ų5279.5 Ų79.532%0.31546%0.455SS..PPolyproline II helixtrans-73.7118.8174.5-175.60000108.9I140 L191 P193I140-V273 HydrophobicContact CD1-CB 3.97Å; I140-V273 HydrophobicContact CD1-CG1 3.83Å; L191-V273 HydrophobicContact CD1-CG2 3.9Å; L191-V273 HydrophobicContact CD2-CG2 3.57Å; L191-V273 HydrophobicContact CG-CG2 3.72Å; P193-V273 WeakPolarHBondContact O-CB 3.32Å; P193-V273 PolarHBondContact O-N 2.77Å
274L69Low65.8Low73 Ų7386.7 Ų86.738%0.38249%0.493SS..PPolyproline II helixtrans-84.9139.7174.4-60.9-173.1000111.6D107 P272 R276D107-L274 VanDerWaalsContact OD1-CD1 3.25Å; D107-L274 WeakPolarHBondContact OD1-CD1 3.29Å; D107-L274 WeakPolarHBondContact OD1-CD2 3.48Å; D107-L274 WeakPolarHBondContact OD1-CG 3.42Å; P272-L274 PolarHBondContact O-N 3.06Å; L274-R276 PolarHBondContact O-N 3.09Å
275L63.7Low62.7Low54 Ų5490.6 Ų90.628%0.28352%0.522SS..  trans-69.3111.6163.1-69.7171.3000108.2I140 E277I140-L275 HydrophobicContact CD1-CD2 4.21Å; I140-L275 HydrophobicContact CD1-CG 4.49Å; I140-L275 HydrophobicContact CG1-CD1 4.45Å; I140-L275 HydrophobicContact CG1-CD2 3.98Å; I140-L275 HydrophobicContact CG1-CG 3.85Å; L275-E277 PolarHBondContact O-N 3.22Å
276R55.2Low59.5Low231 Ų23197 Ų9787%0.87255%0.545SS*.  trans-66.5125.8167.1-78.8-177.9177.21641.1108.7L274L274-R276 PolarHBondContact O-N 3.09Å
277E50.6Low56.4Low158 Ų158104.6 Ų104.674%0.73859%0.586SS**  trans-51130.4163.1-76.1-82.5141.100109.1L275 K279L275-E277 PolarHBondContact O-N 3.22Å; E277-K279 PolarHBondContact O-N 2.95Å; E277-K279 VanDerWaalsContact O-N 3.12Å
278P39.7Very low53.5Low97 Ų97106.7 Ų106.763%0.6361%0.61SS**  trans-61.5115.8168.4-13.326.4000108.2S280P278-S280 PolarHBondContact O-N 3.5Å
279K34.7Very low50.5Low192 Ų192109.5 Ų109.584%0.83563%0.625SS**  trans-59.5115.4167.1-69.5-175.1178.1-177.50107.6E277 N281E277-K279 PolarHBondContact O-N 2.95Å; E277-K279 VanDerWaalsContact O-N 3.12Å; K279-N281 PolarHBondContact O-N 3.38Å
280S41.4Very low47.5Very low115 Ų115114 Ų11480%0.80466%0.655SS**  trans-64.4102166.449.80000108.1P278 G282P278-S280 PolarHBondContact O-N 3.5Å; S280-G282 PolarHBondContact O-N 3.19Å
281N33.6Very low44.8Very low165 Ų165117.1 Ų117.188%0.88266%0.66SS**  trans-73.876.3164.7-75.5-13.6000107.8K279K279-N281 PolarHBondContact O-N 3.38Å
282G35.5Very low42Very low58 Ų58126.3 Ų126.360%0.59870%0.696SS**  trans-12287171.100000108.9S280 L284S280-G282 PolarHBondContact O-N 3.19Å; G282-L284 PolarHBondContact O-N 3.35Å
283S36.3Very low39.5Very low122 Ų122129.6 Ų129.685%0.85372%0.724SS**  trans-65.797.6168.253.50000109.2
284L31.4Very low37.4Very low152 Ų152133 Ų13380%0.79675%0.745SS**  trans-89.194.5159.9-102.5137.7000107.4G282 Y286G282-L284 PolarHBondContact O-N 3.35Å; L284-Y286 HydrophobicContact CD2-CD2 4.24Å; L284-Y286 HydrophobicContact CD2-CE2 4.31Å; L284-Y286 PolarHBondContact O-N 2.98Å
285S29.8Very low35.6Very low101 Ų101136.5 Ų136.571%0.70676%0.764SS**  trans-74.3105.3165.3650000108.3
286Y28.1Very low34.2Very low210 Ų210140.1 Ų140.182%0.82478%0.784SS**  trans-97.3102.8160.2-112.2-92000107.6L284L284-Y286 HydrophobicContact CD2-CD2 4.24Å; L284-Y286 HydrophobicContact CD2-CE2 4.31Å; L284-Y286 PolarHBondContact O-N 2.98Å
287N29.1Very low33.3Very low159 Ų159134.7 Ų134.785%0.8577%0.772SS**  trans-81.8110.6163.3-76.4-18.4000107
288G32.7Very low32.4Very low68 Ų68134.2 Ų134.270%0.70178%0.775SS**  trans-156.6105.617700000109.1
289D28.8Very low32.1Very low165 Ų165134.8 Ų134.888%0.88278%0.781SS**  trans-53.9151-170.3-143-13.6000114.7
290C27.3Very low32.2Very low119 Ų119131.5 Ų131.580%0.80478%0.777SS**  trans-116.1114-177-164.20000110
291T33.2Very low31.8Very low136 Ų136132.1 Ų132.183%0.83477%0.771SS**  trans-134.912916450.60000111.8
292K26.7Very low31.6Very low208 Ų208130.6 Ų130.690%0.90476%0.763SS**  trans-64.8151-175-63.2170.6174.5175.40114.8
293A29.6Very low31.6Very low86 Ų86135.8 Ų135.871%0.71178%0.777SS**  trans178.6102.9136.400000109.9
294T29.9Very low31.2Very low124 Ų124137.3 Ų137.376%0.76177%0.77SS**  74.5118.6103.856.40000117.6
295N30.1Very low31.2Very low146 Ų146137.3 Ų137.378%0.78177%0.77SS**  trans53.5129.1145.4-57.4-8.4000118.1
296N34.4Very low31Very low131 Ų131139.1 Ų139.170%0.70177%0.769SS**  -173.8159.655.2-132.526.2000110.8
297D35.4Very low31.2Very low117 Ų117135 Ų13563%0.62677%0.765SS**  trans86.4103.5148.5-58.9-34.2000123.1
298N32.3Very low31.1Very low147 Ų147133.8 Ų133.879%0.78676%0.759SS**  52112122.6-58.3-27.8000121.6
299S33.1Very low31.1Very low109 Ų109135.7 Ų135.776%0.76276%0.761SS**  161.6114107.1760000109.8
300V36.9Very low31.2Very low123 Ų123135.1 Ų135.175%0.74575%0.753SS**  99.1125.390.4168.20000112.9
301D33.3Very low31.2Very low129 Ų129134.7 Ų134.769%0.6975%0.751SS**  trans8594.2154.6-64.2-23.1000123.8
302N29Very low30.9Very low133 Ų133136 Ų13671%0.71175%0.746SS**  42.1120.6107.5-63.6-44.1000119.1
303N35.3Very low30.8Very low166 Ų166136.2 Ų136.289%0.88874%0.741SS**  -161.5122.5120.7-93.4-33000112.9
304H29Very low30.8Very low154 Ų154136.3 Ų136.371%0.71373%0.729SS**  trans-90.1124.8178.9-159.9-55000107.6M306H304-M306 VanDerWaalsContact CE1-CG 3.5Å; H304-M306 WeakPolarHBondContact CE1-CG 3.39Å
305I31.8Very low30.6Very low152 Ų152137.3 Ų137.378%0.77973%0.728SS**  trans-117.4102167.2-63.7179000107.2T307I305-T307 HydrophobicContact CG2-CG2 4.48Å
306M26.1Very low30.7Very low140 Ų140134.9 Ų134.969%0.6973%0.728SS**  trans-77.4131.3163.3-79.5-153.2161.600109H304H304-M306 VanDerWaalsContact CE1-CG 3.5Å; H304-M306 WeakPolarHBondContact CE1-CG 3.39Å
307T31.8Very low30.3Very low122 Ų122136.6 Ų136.675%0.74873%0.732SS**  trans-10896.9162.4530000107.8I305 S309I305-T307 HydrophobicContact CG2-CG2 4.48Å; T307-S309 PolarHBondContact O-N 3.29Å
308D27.3Very low30.3Very low134 Ų134138.7 Ų138.772%0.71774%0.743SS**  trans-70.7116170.2-95.7-26.6000109.4H310D308-H310 PolarHBondContact O-N 2.88Å
309S31.1Very low30.2Very low108 Ų108138.4 Ų138.476%0.75574%0.742SS**  trans-88.199.8172.3-610000108.8T307 S311T307-S309 PolarHBondContact O-N 3.29Å; S309-S311 PolarHBondContact O-N 3.08Å; S309-S311 VanDerWaalsContact O-N 3.17Å
310H30.8Very low30.3Very low154 Ų154140.4 Ų140.471%0.71374%0.744SS**  trans-73.5102.5172.4-80.9-66.3000110.6D308 F312D308-H310 PolarHBondContact O-N 2.88Å; H310-F312 HydrophobicContact CB-CD2 4.39Å; H310-F312 HydrophobicContact CB-CE2 4.09Å
311S27.9Very low30.1Very low109 Ų109143.8 Ų143.876%0.76275%0.748SS**PPolyproline II helixtrans-75.5116.3166.557.50000110.3S309S309-S311 PolarHBondContact O-N 3.08Å; S309-S311 VanDerWaalsContact O-N 3.17Å
312F27.8Very low29.7Very low165 Ų165143 Ų14372%0.72475%0.752SS**PPolyproline II helixtrans-103.3126.1167-80.6-84.8000109.8H310H310-F312 HydrophobicContact CB-CD2 4.39Å; H310-F312 HydrophobicContact CB-CE2 4.09Å
313R24.9Very low29.7Very low211 Ų211145.6 Ų145.680%0.79676%0.757SS**PPolyproline II helixtrans-86124.7170.9-80.9179.2171162-1.3109.2
314I29.4Very low29.4Very low88 Ų88143.9 Ų143.945%0.45175%0.752SS.*  trans-112.3115.6165.2-62.5-175.3000107.8T57T57-I314 WeakPolarHBondContact O-CD1 3.25Å
315I25.5Very low29.3Very low145 Ų145144.2 Ų144.274%0.74476%0.758SS**  trans-90.3106.1169.7-59.2172.4000106.2E317I315-E317 HydrophobicContact CG2-CG 4.12Å; I315-E317 PolarHBondContact O-N 3.23Å
316A31.9Very low29.1Very low95 Ų95146.4 Ų146.479%0.78576%0.762SS**  trans-93.490169.300000109.2
317E26.5Very low29.2Very low168 Ų168149.1 Ų149.179%0.78577%0.77SS**  trans-74.7118.2161.4-76.4-179.7162.600108.9I315I315-E317 HydrophobicContact CG2-CG 4.12Å; I315-E317 PolarHBondContact O-N 3.23Å
318N33.7Very low29Very low160 Ų160146.7 Ų146.786%0.85677%0.77SS**  trans-165.5129.4131-108.1-34.1000114.1
319N30.3Very low29.2Very low142 Ų142151.7 Ų151.776%0.75978%0.779SS**  trans-56138.1173-76.1-54.1000112.9
320N35.7Very low29.3Very low150 Ų150158.1 Ų158.180%0.80279%0.786SS**  -175.4113.8121.9-90.9-34.6000114.2
321K32.7Very low29.3Very low195 Ų195161.4 Ų161.485%0.84879%0.792SS**  trans25.6109142.2-73.9174175.8170.90120.5
322C26.1Very low29.4Very low112 Ų112165.8 Ų165.876%0.75780%0.798SS**  51.1114.6115.1-158.40000119.7
323K28.8Very low29.6Very low188 Ų188165.6 Ų165.682%0.81780%0.797SS**  177.3119.4107.7-92172.7-173.7-179.70112.1
324T27.7Very low29.9Very low129 Ų129160.8 Ų160.879%0.79180%0.795SS**  trans4.3122.215050.50000118.8
325L27.9Very low30.1Very low161 Ų161161.7 Ų161.784%0.84380%0.8SS**  trans-165.7100.8135-106.7153.9000112.1K327L325-K327 PolarHBondContact O-N 3.16Å
326K27.4Very low30.3Very low198 Ų198161.9 Ų161.986%0.86180%0.802SS**  trans-65.1113.4158.3-75.8177.5174.9176.80108.4
327K27.7Very low30.3Very low197 Ų197166.3 Ų166.386%0.85783%0.827SS**SBendtrans158.2124.5143.2-90.3168.1179.7-178.70110.6L325L325-K327 PolarHBondContact O-N 3.16Å
328G27.8Very low30.5Very low72 Ų72166.3 Ų166.374%0.74283%0.83SS**  trans80.474.6146.300000117.4
329W31Very low30.3Very low238 Ų238166.6 Ų166.690%0.90283%0.828SS**  trans-111.165.3168.5-69.539.8000109
330R33.8Very low30.3Very low243 Ų243167.9 Ų167.992%0.91783%0.832SS**SBendtrans-118.719.2162.1-82.4-158.2-165.5-127.56.4111.8
331R29.9Very low30Very low223 Ų223169 Ų16984%0.84283%0.834SS**  trans-147.277.4178.7-75.8-171.5-173.5168.11.6111
332F30.7Very low29.8Very low201 Ų201167.4 Ų167.488%0.88283%0.833SS**  trans-154.960.2154.3-94.2-71.1000109.6
333F31.8Very low30.1Very low161 Ų161171.1 Ų171.171%0.70684%0.838SS**  trans-124.771.9147.3-81.3-75.4000106.3
334C32.3Very low30.2Very low111 Ų111169.9 Ų169.975%0.7584%0.839SS**  trans-109.1100.5155.3-73.50000105.7N336C334-N336 PolarHBondContact O-N 3.33Å
335I33Very low30.3Very low107 Ų107173 Ų17355%0.54984%0.843SS.*  trans-61.4116.4157.2-62.8166.9000105.3
336N28.7Very low30.5Very low149 Ų149174 Ų17480%0.79784%0.843SS**  trans-107.2115.5161.2-92.2-24000106.8C334C334-N336 PolarHBondContact O-N 3.33Å
337S32.5Very low30.8Very low188 Ų188171.8 Ų171.8100%1.31584%0.842SS**  trans76.80173.7-53.90000117.1

Retrieved 337 of 337 residues in 632.9 ms (Link to these results)