A0A060W6Y3_ONCMY Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A060W6Y3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 132 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
1M33.9Very low36.8Very low218 Ų218141.8 Ų141.8100%1.07473%0.725SS**  0105.10-84.7146.6162.100105.9D3M1-D3 PolarHBondContact O-N 3.49Å
2C32.9Very low36.4Very low117 Ų117144.9 Ų144.979%0.79173%0.734SS**  trans-81.3114.4-178.4-68.90000108.8R4C2-R4 VanDerWaalsContact C-N 3.31Å; C2-R4 PolarHBondContact O-N 2.77Å
3D37.2Very low36.7Very low85 Ų85145.2 Ų145.246%0.45574%0.736SS.*  trans-66.490.1173.6-73.4-60.2000109.6M1 V5 H111M1-D3 PolarHBondContact O-N 3.49Å; D3-V5 PolarHBondContact O-N 3.12Å; D3-H111 PolarHBondContact O-CE1 2.85Å
4R40Very low36.5Very low198 Ų198143.9 Ų143.975%0.74774%0.739SS**  trans-69.9100.4172.2-68.1-175.8-168.3-175.13107.9C2 F6C2-R4 VanDerWaalsContact C-N 3.31Å; C2-R4 PolarHBondContact O-N 2.77Å; R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.22Å
5V40.1Very low36.5Very low46 Ų46146.6 Ų146.628%0.27974%0.744SS.*  trans-7191.3165.1178.70000107.2D3 N53 F116D3-V5 PolarHBondContact O-N 3.12Å; V5-N53 HydrophobicContact CG2-CB 4.39Å; V5-F116 HydrophobicContact CB-CE1 4.36Å; V5-F116 HydrophobicContact CB-CZ 4.02Å; V5-F116 HydrophobicContact CG1-CE1 4.42Å; V5-F116 HydrophobicContact CG1-CZ 4.08Å; V5-F116 HydrophobicContact CG2-CD1 4.02Å; V5-F116 HydrophobicContact CG2-CE1 3.33Å; V5-F116 HydrophobicContact CG2-CE2 4.16Å; V5-F116 HydrophobicContact CG2-CZ 3.41Å; V5-F116 VanDerWaalsContact CG2-CZ 3.41Å
6F37.8Very low36.2Very low164 Ų164144.9 Ų144.972%0.71975%0.748SS**  trans-85.3110.1178.6-150.5-93.3000108.3R4 Q8R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.22Å; F6-Q8 HydrophobicContact CD1-CG 4.08Å; F6-Q8 HydrophobicContact CE1-CG 4.04Å
7C34.6Very low36.5Very low113 Ų113143.1 Ų143.176%0.76475%0.748SS**  trans-99.5102.2168.1-135.80000107.8L9C7-L9 PolarHBondContact O-N 3.07Å
8Q43.5Very low37.3Very low163 Ų163141.6 Ų141.676%0.76275%0.748SS**  trans-62.1120.8170.6-90.9165.1-48.500109.7F6F6-Q8 HydrophobicContact CD1-CG 4.08Å; F6-Q8 HydrophobicContact CE1-CG 4.04Å
9L33.2Very low37.3Very low168 Ų168143 Ų14388%0.8876%0.755SS**  trans-144.9104.6141.2-127.789.5000108.7C7C7-L9 PolarHBondContact O-N 3.07Å
10H31.6Very low37.5Very low170 Ų170141.9 Ų141.979%0.78776%0.759SS**  trans25.7117.4161.7-78.989.9000121.4
11T40.2Very low37.5Very low118 Ų118138.3 Ų138.372%0.72476%0.756SS**SBendtrans56.681.5141.454.30000118.7
12H31.9Very low37.8Very low179 Ų179133.5 Ų133.583%0.82974%0.744SS**  -173.9114.1112.7-109.3-92.6000107.8T14H12-T14 PolarHBondContact O-N 3.06Å
13I40.1Very low37.6Very low148 Ų148134.5 Ų134.576%0.75975%0.751SS**  trans-76.9103.2172.5-61.1171.4000106.5F15I13-F15 HydrophobicContact CG2-CD2 3.52Å; I13-F15 HydrophobicContact CG2-CE2 3.79Å
14T33.8Very low37.5Very low128 Ų128135.5 Ų135.579%0.78576%0.764SS**  trans-100.2101.5160-7.70000107.5H12 C16H12-T14 PolarHBondContact O-N 3.06Å; T14-C16 PolarHBondContact O-N 3.08Å
15F36.5Very low37.2Very low184 Ų184131.5 Ų131.581%0.80777%0.765SS**PPolyproline II helixtrans-60.3122164.9-96.9-99.2000108.8I13I13-F15 HydrophobicContact CG2-CD2 3.52Å; I13-F15 HydrophobicContact CG2-CE2 3.79Å
16C32.6Very low37Very low119 Ų119137 Ų13780%0.80479%0.788SS**PPolyproline II helixtrans-97.8120.4159.7-830000108.7T14T14-C16 PolarHBondContact O-N 3.08Å
17P39.7Very low37Very low115 Ų115136 Ų13675%0.74779%0.789SS**PPolyproline II helixtrans-70.9162.4173.429.5-32.5000111.8
18P51.5Low37.1Very low116 Ų116139.4 Ų139.475%0.75379%0.791SS**PPolyproline II helixtrans-99.7119.4-166.634.2-24.7000111.4
19L38.1Very low36.9Very low168 Ų168142.1 Ų142.188%0.8879%0.794SS**  trans-150.8122158.5-74.7-179.3000111.1
20S40.3Very low37Very low120 Ų120139.7 Ų139.784%0.83979%0.788SS**  trans53.4120.2152.563.50000120.4
21G38.8Very low37.2Very low68 Ų68140.8 Ų140.870%0.70179%0.787SS**SBendtrans99.1108.9143.200000115.5
22S38.8Very low37.3Very low117 Ų117139.7 Ų139.782%0.81878%0.784SS**  trans44.892.4158.252.70000116.4S24S22-S24 PolarHBondContact O-N 2.76Å
23C28.7Very low37.9Very low137 Ų137142 Ų14293%0.92679%0.786SS**  trans-68.182.3163.8-75.70000110.1C25C23-C25 PolarHBondContact O-N 3.16Å
24S36.3Very low38Very low106 Ų106139.9 Ų139.974%0.74178%0.776SS**  trans-71.6100.2156.6-112.40000107S22 E26S22-S24 PolarHBondContact O-N 2.76Å; S24-E26 PolarHBondContact O-N 3.48Å
25C32.3Very low38.3Very low114 Ų114141.6 Ų141.677%0.7778%0.78SS**  trans-68.383.7166.352.10000108.6C23 I27C23-C25 PolarHBondContact O-N 3.16Å; C25-I27 PolarHBondContact O-N 2.86Å
26E36.3Very low38.8Very low162 Ų162142.4 Ų142.476%0.75778%0.778SS**  trans-68.196.8169-77.6-173145.600109.1S24 K28S24-E26 PolarHBondContact O-N 3.48Å; E26-K28 PolarHBondContact O-N 3.24Å
27I38.9Very low39.5Very low143 Ų143146.7 Ų146.773%0.73378%0.777SS**  trans-60.294.9159.8-60.8171.7000106.1C25 R29C25-I27 PolarHBondContact O-N 2.86Å; I27-R29 PolarHBondContact O-N 3.4Å
28K35.9Very low39.9Very low184 Ų184148.1 Ų148.180%0.877%0.768SS**  trans-58.7106.1172.7-73.3-171.4178.1-178.10108.2E26 P30E26-K28 PolarHBondContact O-N 3.24Å; K28-P30 WeakPolarHBondContact O-CD 3.32Å
29R39.1Very low39.2Very low220 Ų220149.2 Ų149.283%0.8376%0.761SS**  trans-57.4137.6163.9-61.7-171.4-169-155.36107.5I27I27-R29 PolarHBondContact O-N 3.4Å
30P35.6Very low40.1Very low117 Ų117143.7 Ų143.776%0.7673%0.731SS**  -117.1109.5111.530.7-27.3000108.1K28 S32K28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-S32 PolarHBondContact O-N 2.94Å
31Y36.8Very low40.6Very low193 Ų193148.8 Ų148.876%0.75773%0.732SS**  trans-67.379154-175.6-100.5000106R33Y31-R33 PolarHBondContact O-N 2.87Å
32S40.5Very low40.9Very low96 Ų96147.4 Ų147.467%0.67171%0.714SS**  trans-77.2119.9168.2-167.70000107.4P30 D34P30-S32 PolarHBondContact O-N 2.94Å; S32-D34 PolarHBondContact O-N 2.82Å
33R45Very low41.2Very low227 Ų227146.6 Ų146.686%0.85770%0.704SS**  trans-7268.8-177.8-146.6-175.1-152.8-155.54.6108.8Y31Y31-R33 PolarHBondContact O-N 2.87Å
34D42.3Very low42.3Very low103 Ų103146.6 Ų146.655%0.55169%0.692SS**  trans-115.6100.2179.7-134.810.3000109.6S32 R36S32-D34 PolarHBondContact O-N 2.82Å; D34-R36 PolarHBondContact O-N 2.81Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 2.81Å; D34-R36 IonicContact OD2-NH2 2.86Å; D34-R36 PolarHBondContact OD2-NH2 2.82Å
35N41.4Very low42.7Very low164 Ų164146.7 Ų146.788%0.87769%0.693SS**  trans-74.643.1-176.6-15425.3000111.7R37N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.24Å
36R46Very low43.6Very low201 Ų201147.4 Ų147.476%0.75869%0.689SS**  trans-79.488.9168.8-85.1-174.5-80.5-173.7-5.8107.7D34 W38D34-R36 PolarHBondContact O-N 2.81Å; D34-R36 IonicContact OD2-CZ 3.59Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 2.81Å; D34-R36 IonicContact OD2-NH2 2.86Å; D34-R36 PolarHBondContact OD2-NH2 2.82Å; R36-W38 PolarHBondContact O-N 3.42Å
37R48.2Very low45Very low210 Ų210142 Ų14279%0.79266%0.662SS**  trans-56.979.5163.4-179155.1-177.9172.2-1.2109.3N35 K39N35-R37 VanDerWaalsContact C-N 3.29Å; N35-R37 PolarHBondContact O-N 3.24Å; R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 HydrophobicContact CG-CG 4.23Å; R37-K39 PolarHBondContact O-N 2.91Å
38W46.3Very low46.8Very low145 Ų145143.1 Ų143.155%0.54966%0.661SS.*  trans-69.599.5162.4175.3-83000106.1R36 I40R36-W38 PolarHBondContact O-N 3.42Å; W38-I40 PolarHBondContact O-N 2.77Å
39K38.6Very low49.1Very low139 Ų139136 Ų13660%0.60464%0.637SS**  trans-64.5104.8164-69.4-179.7178.2176.80105.8R37 R41R37-K39 VanDerWaalsContact C-N 3.33Å; R37-K39 HydrophobicContact CG-CG 4.23Å; R37-K39 PolarHBondContact O-N 2.91Å; K39-R41 HydrophobicContact CB-CG 3.98Å; K39-R41 PolarHBondContact O-N 2.89Å
40I56.7Low51.5Low51 Ų51128.4 Ų128.426%0.26262%0.615SS.*  trans-6579.2162.3-53.7176000105.7W38 A42W38-I40 PolarHBondContact O-N 2.77Å; I40-A42 HydrophobicContact CG2-CB 3.83Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-A42 VanDerWaalsContact O-N 3.08Å
41R50.9Low54Low228 Ų228126.4 Ų126.486%0.8660%0.597SS**  trans-82.567.9165.8-63-175.492.8-172.35.4106.7K39K39-R41 HydrophobicContact CB-CG 3.98Å; K39-R41 PolarHBondContact O-N 2.89Å
42A45.3Very low56.5Low39 Ų39122.8 Ų122.832%0.32259%0.585SS.*  trans-97.599.2169.100000107.3I40 R47I40-A42 HydrophobicContact CG2-CB 3.83Å; I40-A42 PolarHBondContact O-N 2.9Å; I40-A42 VanDerWaalsContact O-N 3.08Å; A42-R47 PolarHBondContact O-NH2 3.46Å
43T44.6Very low58.6Low100 Ų100121.8 Ų121.861%0.61357%0.573SS**  trans-47137.8161.337.30000108.8S45 D46T43-S45 PolarHBondContact O-N 3.49Å; T43-D46 PolarHBondContact O-N 3.19Å
44M51.2Low60.7Low136 Ų136112.8 Ų112.867%0.6755%0.547SS*.G310 helixtrans-50-18.9-175.1-92.6171.3161.100114.3E73M44-E73 VanDerWaalsContact CE-CD 3.42Å; M44-E73 WeakPolarHBondContact CE-OE1 3.39Å; M44-E73 WeakPolarHBondContact CE-OE2 3.06Å; M44-E73 WeakPolarHBondContact CG-OE1 3.49Å
45S44.2Very low62.8Low109 Ų109109.7 Ų109.776%0.76253%0.53SS*.G310 helixtrans-87.5-5.1-168.4-43.90000116.9T43T43-S45 PolarHBondContact O-N 3.49Å
46D52.3Low65Low129 Ų129102.8 Ų102.869%0.6949%0.493SS*.G310 helixtrans-121.516.4-177.4-77.3-56.5000114.8T43 K48T43-D46 PolarHBondContact O-N 3.19Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.96Å
47R64.7Low67.1Low48 Ų4896.3 Ų96.318%0.18148%0.478CS..  trans-88.959.2-179.6-71.7-168.1-143.9171.18.1111.6A42 A49 E73 L121A42-R47 PolarHBondContact O-NH2 3.46Å; R47-A49 PolarHBondContact O-N 3.43Å; R47-A49 VanDerWaalsContact O-N 3.12Å; R47-E73 VanDerWaalsContact NH1-CG 3.34Å; R47-L121 HydrophobicContact CB-CD2 3.52Å; R47-L121 HydrophobicContact CG-CD2 3.75Å
48K76.5Confident68.9Low166 Ų16694 Ų9472%0.72248%0.476SS*.  trans-63.4115.2175-171.1173.9-177.7176.30109.3D46 V50D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.96Å; K48-V50 HydrophobicContact CG-CG2 4.41Å
49A85.4Confident71Confident35 Ų3595.1 Ų95.129%0.28949%0.488SS..EExtended strand (participates in β ladder)trans-71.9127.9169.500000109.1R47 V65 Y120R47-A49 PolarHBondContact O-N 3.43Å; R47-A49 VanDerWaalsContact O-N 3.12Å; A49-V65 HydrophobicContact CB-CG1 3.56Å; A49-V65 HydrophobicContact CB-CG2 4.06Å; A49-Y120 CarbonylContact C-O 3.55Å; A49-Y120 WeakPolarHBondContact CA-O 3.48Å
50V88.6Confident73.4Confident60 Ų6089.5 Ų89.536%0.36446%0.464SS..EExtended strand (participates in β ladder)trans-12199.8176.8-179.80000107.4K48 K52 F119 Y120K48-V50 HydrophobicContact CG-CG2 4.41Å; V50-K52 PolarHBondContact O-N 3.29Å; V50-F119 CarbonylContact O-C 3.5Å; V50-F119 VanDerWaalsContact O-CA 3.31Å; V50-F119 WeakPolarHBondContact O-CA 3.46Å; V50-Y120 PolarHBondContact N-O 3.18Å; V50-Y120 PolarHBondContact O-N 3.03Å
51I89.6Confident75Confident75 Ų7588.9 Ų88.939%0.38546%0.46SS..EExtended strand (participates in β ladder)trans-73127176.7-57.7170.3000108A54 Q61 F119I51-A54 HydrophobicContact CG2-CB 3.74Å; I51-Q61 HydrophobicContact CD1-CB 4.5Å; I51-F119 HydrophobicContact CB-CB 4.42Å; I51-F119 HydrophobicContact CG1-CB 4.11Å
52K88.7Confident76.9Confident118 Ų11883 Ų8351%0.51344%0.442SS..EExtended strand (participates in β ladder)trans-95.8-51.9176.3-68.1-64.2-174.9179.90110.2V50 Y118 Y120V50-K52 PolarHBondContact O-N 3.29Å; K52-Y118 HydrophobicContact CB-CD1 3.43Å; K52-Y118 VanDerWaalsContact CB-CD1 3.43Å; K52-Y118 HydrophobicContact CB-CE1 3.78Å; K52-Y118 HydrophobicContact CB-CG 4.38Å; K52-Y118 HydrophobicContact CG-CD1 4.01Å; K52-Y118 HydrophobicContact CG-CE1 3.87Å; K52-Y118 PolarHBondContact N-O 3.29Å; K52-Y120 HydrophobicContact CD-CD2 4.35Å; K52-Y120 HydrophobicContact CD-CE2 4.39Å; K52-Y120 HydrophobicContact CG-CD2 3.65Å; K52-Y120 HydrophobicContact CG-CE2 3.74Å
53N84.8Confident79.1Confident75 Ų7582.5 Ų82.540%0.40143%0.434SS..EExtended strand (participates in β ladder)trans-138.9135.4174.9-77.462.4000108.3V5 F116 Y118V5-N53 HydrophobicContact CG2-CB 4.39Å; N53-F116 HydrophobicContact CB-CE1 3.87Å; N53-Y118 PolarHBondContact N-O 3.35Å; N53-Y118 VanDerWaalsContact N-O 3.16Å; N53-Y118 PolarHBondContact O-N 3.18Å; N53-Y118 VanDerWaalsContact O-O 3.13Å
54A89.3Confident81.3Confident38 Ų3877.8 Ų77.831%0.31441%0.405SS..EExtended strand (participates in β ladder)trans-141.1125.6170.500000108I51 Q61 I117I51-A54 HydrophobicContact CG2-CB 3.74Å; A54-Q61 HydrophobicContact CB-CG 3.92Å; A54-I117 HydrophobicContact CB-CD1 4.5Å; A54-I117 HydrophobicContact CB-CG1 4Å
55D86.6Confident83.2Confident38 Ų3872.1 Ų72.120%0.20338%0.378CS..EExtended strand (participates in β ladder)trans-12076.7169.2176.928.7000106.4K114 H115 F116D55-K114 CarbonylContact O-C 3.54Å; D55-K114 WeakPolarHBondContact O-CA 3.36Å; D55-K114 PolarHBondContact OD2-N 2.83Å; D55-H115 PolarHBondContact O-N 2.86Å; D55-H115 VanDerWaalsContact O-N 3.11Å; D55-F116 CarbonylContact C-O 2.8Å; D55-F116 HydrophobicContact CB-CB 4.35Å; D55-F116 PolarHBondContact N-O 3.16Å; D55-F116 PolarHBondContact O-N 3.46Å; D55-F116 VanDerWaalsContact O-N 3.13Å
56M87.3Confident85.4Confident18 Ų1871.2 Ų71.29%0.08936%0.362CS..SBendtrans-168.9168.5175.159.2175.959.400109.5M60 Q61 W97 K114 I117M56-M60 HydrophobicContact CB-CB 4.41Å; M56-M60 HydrophobicContact CB-SD 4.07Å; M56-M60 HydrophobicContact CE-CG 4.49Å; M56-M60 HydrophobicContact CE-SD 4.18Å; M56-M60 HydrophobicContact CG-CB 4.39Å; M56-M60 HydrophobicContact SD-CB 3.97Å; M56-M60 HydrophobicContact SD-CG 3.7Å; M56-M60 HydrophobicContact SD-SD 4.03Å; M56-Q61 HydrophobicContact CG-CG 3.48Å; M56-Q61 VanDerWaalsContact CG-CG 3.48Å; M56-Q61 PolarHBondContact O-NE2 3.27Å; M56-Q61 HydrophobicContact SD-CG 3.98Å; M56-W97 HydrophobicContact CE-CH2 4.47Å; M56-W97 HydrophobicContact CE-CZ3 4.43Å; M56-K114 WeakPolarHBondContact CB-O 3.43Å; M56-I117 HydrophobicContact CE-CB 3.6Å; M56-I117 HydrophobicContact CE-CG2 3.57Å; M56-I117 HydrophobicContact SD-CB 3.88Å; M56-I117 HydrophobicContact SD-CD1 4.14Å; M56-I117 HydrophobicContact SD-CG2 4.06Å
57S89.4Confident87.2Confident65 Ų6565.7 Ų65.746%0.45533%0.334SS..  trans-66.4149.7178.357.80000112.7E59 M60 Q61S57-E59 PolarHBondContact O-N 3.03Å; S57-M60 WeakPolarHBondContact O-CA 3.26Å; S57-M60 WeakPolarHBondContact O-CB 3.31Å; S57-M60 PolarHBondContact O-N 2.91Å; S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.38Å
58E87Confident88.5Confident162 Ų16263.4 Ų63.476%0.75733%0.325SS*.Hα-helixtrans-55.8-37.8-179.8-66.9-177.1176.500112.9M60 Q61 Q62E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 3.01Å; E58-Q61 PolarHBondContact O-N 3.01Å; E58-Q62 WeakPolarHBondContact O-CB 3.48Å; E58-Q62 PolarHBondContact O-N 2.72Å
59E89.2Confident89.1Confident168 Ų16857.4 Ų57.479%0.78530%0.302SS*.Hα-helixtrans-59.4-41174.3-65-177.9174.900112.2S57 D63S57-E59 PolarHBondContact O-N 3.03Å; E59-D63 WeakPolarHBondContact O-CB 3.41Å; E59-D63 PolarHBondContact O-N 2.75Å; E59-D63 VanDerWaalsContact O-N 3.09Å
60M89.6Confident89.3Confident21 Ų2159.8 Ų59.810%0.10331%0.307CS..Hα-helixtrans-74.6-34.4178.3-167179.5-57.600111.7M56 S57 E58 Q62 D63 A64 F89 Y93 W97M56-M60 HydrophobicContact CB-CB 4.41Å; M56-M60 HydrophobicContact CB-SD 4.07Å; M56-M60 HydrophobicContact CE-CG 4.49Å; M56-M60 HydrophobicContact CE-SD 4.18Å; M56-M60 HydrophobicContact CG-CB 4.39Å; M56-M60 HydrophobicContact SD-CB 3.97Å; M56-M60 HydrophobicContact SD-CG 3.7Å; M56-M60 HydrophobicContact SD-SD 4.03Å; S57-M60 WeakPolarHBondContact O-CA 3.26Å; S57-M60 WeakPolarHBondContact O-CB 3.31Å; S57-M60 PolarHBondContact O-N 2.91Å; E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 3.01Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; M60-D63 PolarHBondContact O-N 2.95Å; M60-A64 WeakPolarHBondContact O-CB 3.44Å; M60-A64 PolarHBondContact O-N 2.86Å; M60-F89 HydrophobicContact CG-CE1 4.14Å; M60-Y93 HydrophobicContact CE-CD1 3.63Å; M60-Y93 HydrophobicContact CE-CE1 3.41Å; M60-Y93 VanDerWaalsContact CE-CE1 3.41Å; M60-Y93 HydrophobicContact CE-CG 4.36Å; M60-Y93 HydrophobicContact CG-CE1 4.3Å; M60-Y93 HydrophobicContact CG-CE2 4.11Å; M60-Y93 HydrophobicContact SD-CD1 4.39Å; M60-Y93 HydrophobicContact SD-CE1 4.28Å; M60-W97 HydrophobicContact SD-CH2 4.2Å
61Q90.5Very high89.4Confident38 Ų3856.9 Ų56.918%0.17829%0.29CS..Hα-helixtrans-61.8-45.6174-62.2179.233.800110.8I51 A54 M56 S57 E58 A64 V65 I117I51-Q61 HydrophobicContact CD1-CB 4.5Å; A54-Q61 HydrophobicContact CB-CG 3.92Å; M56-Q61 HydrophobicContact CG-CG 3.48Å; M56-Q61 VanDerWaalsContact CG-CG 3.48Å; M56-Q61 PolarHBondContact O-NE2 3.27Å; M56-Q61 HydrophobicContact SD-CG 3.98Å; S57-Q61 WeakPolarHBondContact O-CG 3.41Å; S57-Q61 PolarHBondContact O-N 3.38Å; E58-Q61 PolarHBondContact O-N 3.01Å; Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q61-V65 WeakPolarHBondContact O-CG2 3.45Å; Q61-V65 PolarHBondContact O-N 2.79Å; Q61-I117 HydrophobicContact CB-CD1 4.01Å; Q61-I117 HydrophobicContact CG-CD1 4.1Å
62Q90.1Very high89.2Confident104 Ų10453.9 Ų53.949%0.48627%0.274SS..Hα-helixtrans-62.6-44.5177.9-174.358.334.200111.1E58 M60 A64 V65 E66E58-Q62 WeakPolarHBondContact O-CB 3.48Å; E58-Q62 PolarHBondContact O-N 2.72Å; M60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-A64 VanDerWaalsContact C-N 3.3Å; Q62-A64 PolarHBondContact O-N 3.02Å; Q62-V65 PolarHBondContact O-N 2.87Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.4Å; Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.95Å
63D91.2Very high89.1Confident30 Ų3052.2 Ų52.216%0.1627%0.268CS..Hα-helixtrans-60.2-38.2175.9-166.958.7000112.5E59 M60 E66 C67 K92 Y93E59-D63 WeakPolarHBondContact O-CB 3.41Å; E59-D63 PolarHBondContact O-N 2.75Å; E59-D63 VanDerWaalsContact O-N 3.09Å; M60-D63 PolarHBondContact O-N 2.95Å; D63-E66 PolarHBondContact O-N 3.36Å; D63-C67 VanDerWaalsContact O-CB 3.27Å; D63-C67 WeakPolarHBondContact O-CB 3.5Å; D63-C67 PolarHBondContact O-N 3.09Å; D63-C67 PolarHBondContact O-SG 3.05Å; D63-K92 IonicContact OD1-NZ 2.6Å; D63-K92 PolarHBondContact OD1-NZ 3.23Å; D63-K92 WeakPolarHBondContact OD2-CD 3.44Å; D63-K92 IonicContact OD2-NZ 3.78Å; D63-K92 PolarHBondContact OD2-NZ 2.94Å; D63-Y93 PolarHBondContact OD2-OH 2.96Å
64A90.9Very high89.1Confident1 Ų154.5 Ų54.51%0.00828%0.275CS..Hα-helixtrans-64.9-43.6175.400000112.1M60 Q61 Q62 A68 F89 I117 L128M60-A64 WeakPolarHBondContact O-CB 3.44Å; M60-A64 PolarHBondContact O-N 2.86Å; Q61-A64 WeakPolarHBondContact O-CB 3.43Å; Q61-A64 PolarHBondContact O-N 3.35Å; Q62-A64 VanDerWaalsContact C-N 3.3Å; Q62-A64 PolarHBondContact O-N 3.02Å; A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.96Å; A64-F89 HydrophobicContact CB-CE1 4.49Å; A64-F89 HydrophobicContact CB-CE2 4.19Å; A64-F89 HydrophobicContact CB-CZ 3.63Å; A64-I117 HydrophobicContact CB-CD1 4.07Å; A64-I117 HydrophobicContact CB-CG2 4.27Å; A64-L128 HydrophobicContact CB-CD2 4.38Å
65V90.9Very high89.1Confident16 Ų1656.7 Ų56.710%0.09728%0.276CS..Hα-helixtrans-65.9-42.2177.7172.30000111A49 Q61 Q62 A68 T69 F119A49-V65 HydrophobicContact CB-CG1 3.56Å; A49-V65 HydrophobicContact CB-CG2 4.06Å; Q61-V65 WeakPolarHBondContact O-CG2 3.45Å; Q61-V65 PolarHBondContact O-N 2.79Å; Q62-V65 PolarHBondContact O-N 2.87Å; V65-A68 PolarHBondContact O-N 2.91Å; V65-T69 WeakPolarHBondContact O-CB 3.3Å; V65-T69 PolarHBondContact O-N 3.05Å; V65-T69 PolarHBondContact O-OG1 3.26Å; V65-F119 HydrophobicContact CG2-CD2 4.25Å; V65-F119 HydrophobicContact CG2-CE2 4.17Å; V65-F119 HydrophobicContact CG2-CZ 4.46Å
66E90.7Very high88.8Confident90 Ų9060.3 Ų60.342%0.42130%0.295SS..Hα-helixtrans-65.5-47177.1-75178.2-163.300111.7Q62 D63 A68 T69 Q70Q62-E66 WeakPolarHBondContact CG-OE1 3.47Å; Q62-E66 PolarHBondContact NE2-OE1 3.4Å; Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.95Å; D63-E66 PolarHBondContact O-N 3.36Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.38Å; E66-T69 WeakPolarHBondContact O-CB 3.46Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.95Å
67C91.4Very high88.8Confident14 Ų1464.2 Ų64.210%0.09532%0.315CS..Hα-helixtrans-57.5-44.3174.7-83.90000111.8D63 Q70 A71 F89D63-C67 VanDerWaalsContact O-CB 3.27Å; D63-C67 WeakPolarHBondContact O-CB 3.5Å; D63-C67 PolarHBondContact O-N 3.09Å; D63-C67 PolarHBondContact O-SG 3.05Å; C67-Q70 PolarHBondContact O-N 2.85Å; C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.48Å; C67-A71 PolarHBondContact O-N 3.36Å; C67-F89 HydrophobicContact CB-CE2 4.16Å
68A90.8Very high88.6Confident0 Ų065.1 Ų65.10%031%0.312CS..Hα-helixtrans-64.7-39.4176.900000112.8A64 V65 E66 A71 L72 I85 F119 L121 I126A64-A68 VanDerWaalsContact O-CB 3.3Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.96Å; V65-A68 PolarHBondContact O-N 2.91Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 3.38Å; A68-A71 PolarHBondContact O-N 3.1Å; A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 3.42Å; A68-I85 HydrophobicContact CB-CD1 3.93Å; A68-F119 HydrophobicContact CB-CE2 3.93Å; A68-F119 HydrophobicContact CB-CZ 3.61Å; A68-L121 HydrophobicContact CB-CD1 4Å; A68-I126 HydrophobicContact CB-CD1 3.53Å
69T89.7Confident88.6Confident39 Ų3965.2 Ų65.224%0.23931%0.31CS..Hα-helixtrans-62.1-48.7177-58.20000110.7V65 E66 A71 L72 E73V65-T69 WeakPolarHBondContact O-CB 3.3Å; V65-T69 PolarHBondContact O-N 3.05Å; V65-T69 PolarHBondContact O-OG1 3.26Å; E66-T69 WeakPolarHBondContact O-CB 3.46Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; T69-A71 VanDerWaalsContact C-N 3.33Å; T69-A71 PolarHBondContact O-N 2.84Å; T69-L72 PolarHBondContact O-N 3.35Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 2.92Å
70Q89.4Confident88.6Confident85 Ų8560 Ų6040%0.39729%0.288SS..Hα-helixtrans-62.2-40176.5-6717832.600112.2E66 C67 E73 K74E66-Q70 WeakPolarHBondContact O-CG 3.47Å; E66-Q70 PolarHBondContact O-N 2.95Å; C67-Q70 PolarHBondContact O-N 2.85Å; Q70-E73 PolarHBondContact O-N 2.85Å; Q70-K74 WeakPolarHBondContact O-CG 3.48Å; Q70-K74 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-N 3.1Å
71A89.7Confident88.6Confident0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-63.6-42.1178.200000111.6C67 A68 T69 E73 K74 Y75 I81 Y84 I85C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.48Å; C67-A71 PolarHBondContact O-N 3.36Å; A68-A71 PolarHBondContact O-N 3.1Å; T69-A71 VanDerWaalsContact C-N 3.33Å; T69-A71 PolarHBondContact O-N 2.84Å; A71-E73 VanDerWaalsContact C-N 3.26Å; A71-E73 PolarHBondContact O-N 2.88Å; A71-K74 PolarHBondContact O-N 3.14Å; A71-Y75 WeakPolarHBondContact O-CB 3.45Å; A71-Y75 WeakPolarHBondContact O-CD2 3.49Å; A71-Y75 PolarHBondContact O-N 3.06Å; A71-I81 HydrophobicContact CB-CB 4.48Å; A71-I81 HydrophobicContact CB-CG2 3.79Å; A71-Y84 HydrophobicContact CB-CD1 3.59Å; A71-Y84 HydrophobicContact CB-CE1 4.22Å; A71-Y84 HydrophobicContact CB-CG 4.27Å; A71-I85 HydrophobicContact CB-CD1 4.42Å; A71-I85 HydrophobicContact CB-CG1 4.05Å
72L86.3Confident88.6Confident12 Ų1258 Ų586%0.06328%0.28CS..Hα-helixtrans-68.1-22.9177.2-75.3165.9000113.6A68 T69 I81 L121A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 VanDerWaalsContact O-CG 3.3Å; A68-L72 WeakPolarHBondContact O-CG 3.35Å; A68-L72 PolarHBondContact O-N 3.42Å; T69-L72 PolarHBondContact O-N 3.35Å; L72-I81 HydrophobicContact CD2-CD1 3.55Å; L72-I81 HydrophobicContact CD2-CG1 4.43Å; L72-I81 HydrophobicContact CD2-CG2 4.45Å; L72-I81 HydrophobicContact CG-CD1 4.42Å; L72-I81 HydrophobicContact CG-CG2 4.43Å; L72-L121 HydrophobicContact CD1-CB 4.29Å; L72-L121 HydrophobicContact CD1-CD1 3.79Å; L72-L121 HydrophobicContact CD1-CD2 3.51Å; L72-L121 HydrophobicContact CD1-CG 4.06Å
73E85.8Confident88.6Confident82 Ų8255.6 Ų55.638%0.38328%0.278SS..Hα-helixtrans-80.5-38.9174.3-69.6176.4178.100112.2M44 R47 T69 Q70 A71M44-E73 VanDerWaalsContact CE-CD 3.42Å; M44-E73 WeakPolarHBondContact CE-OE1 3.39Å; M44-E73 WeakPolarHBondContact CE-OE2 3.06Å; M44-E73 WeakPolarHBondContact CG-OE1 3.49Å; R47-E73 VanDerWaalsContact NH1-CG 3.34Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 2.92Å; Q70-E73 PolarHBondContact O-N 2.85Å; A71-E73 VanDerWaalsContact C-N 3.26Å; A71-E73 PolarHBondContact O-N 2.88Å
74K86.7Confident88.7Confident124 Ų12455.9 Ų55.954%0.53928%0.278SS..Hα-helixtrans-79.4-36.1-179.3-70178.6-176.3173.60112.6Q70 A71 Y84Q70-K74 WeakPolarHBondContact O-CG 3.48Å; Q70-K74 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-N 3.1Å; A71-K74 PolarHBondContact O-N 3.14Å; K74-Y84 PolarHBondContact NZ-OH 3.23Å; K74-Y84 VanDerWaalsContact NZ-OH 3.14Å
75Y87.3Confident88.7Confident84 Ų8456 Ų5633%0.32928%0.278SS..  trans-123.1137.5-170.9-55.6-77.5000111.2A71 D80 Y84A71-Y75 WeakPolarHBondContact O-CB 3.45Å; A71-Y75 WeakPolarHBondContact O-CD2 3.49Å; A71-Y75 PolarHBondContact O-N 3.06Å; Y75-D80 HydrophobicContact CD1-CB 3.85Å; Y75-D80 HydrophobicContact CG-CB 4.08Å; Y75-Y84 HydrophobicContact CD2-CD2 4.5Å; Y75-Y84 HydrophobicContact CD2-CG 4.39Å; Y75-Y84 AromaticContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CD2 3.47Å; Y75-Y84 VanDerWaalsContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CE2 4.13Å; Y75-Y84 AromaticContact CE2-CG 3.74Å; Y75-Y84 HydrophobicContact CE2-CG 3.74Å
76N81.8Confident88.7Confident114 Ų11458.4 Ų58.461%0.6129%0.287SS*.  trans-103.1-4.1175.6-70.8-58.8000112.9
77I87.1Confident88.8Confident100 Ų10060.3 Ų60.351%0.51329%0.294SS..SBendtrans-105.6121.8-176.8-58.8176.3000108K79 D80 I81I77-K79 HydrophobicContact CG2-CB 4.11Å; I77-K79 PolarHBondContact O-N 2.86Å; I77-D80 HydrophobicContact CB-CB 4.24Å; I77-D80 PolarHBondContact O-N 2.81Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.15Å
78E84.3Confident88.8Confident83 Ų8362.7 Ų62.739%0.38830%0.304SS..Hα-helixtrans-53.9-40.6-176.6-65.6163.515200112.4D80 I81 A82 V101E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 2.78Å; E78-I81 PolarHBondContact O-N 3.13Å; E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.11Å; E78-V101 HydrophobicContact CB-CB 4.43Å; E78-V101 HydrophobicContact CB-CG1 4.23Å; E78-V101 HydrophobicContact CG-CG1 4.37Å
79K86.7Confident88.8Confident164 Ų16462.7 Ų62.771%0.71330%0.304SS*.Hα-helixtrans-59.2-42.7175-176.8-170.5170.6-165.60112.6I77 A82 A83I77-K79 HydrophobicContact CG2-CB 4.11Å; I77-K79 PolarHBondContact O-N 2.86Å; K79-A82 PolarHBondContact O-N 3.01Å; K79-A83 WeakPolarHBondContact O-CB 3.3Å; K79-A83 PolarHBondContact O-N 2.94Å
80D89.8Confident88.9Confident60 Ų6062.4 Ų62.432%0.32130%0.3SS..Hα-helixtrans-74.2-36.7-177.1-63.9-17.8000110.7Y75 I77 E78 A83 Y84Y75-D80 HydrophobicContact CD1-CB 3.85Å; Y75-D80 HydrophobicContact CG-CB 4.08Å; I77-D80 HydrophobicContact CB-CB 4.24Å; I77-D80 PolarHBondContact O-N 2.81Å; E78-D80 VanDerWaalsContact C-N 3.34Å; E78-D80 PolarHBondContact O-N 2.78Å; D80-A83 PolarHBondContact O-N 3.42Å; D80-Y84 WeakPolarHBondContact O-CB 3.39Å; D80-Y84 PolarHBondContact O-N 3.31Å
81I90.1Very high89Confident2 Ų264.9 Ų64.91%0.0131%0.31CS..Hα-helixtrans-58.7-49.8172.1-62.9158.6000109.8A71 L72 I77 E78 A83 Y84 I85 V101A71-I81 HydrophobicContact CB-CB 4.48Å; A71-I81 HydrophobicContact CB-CG2 3.79Å; L72-I81 HydrophobicContact CD2-CD1 3.55Å; L72-I81 HydrophobicContact CD2-CG1 4.43Å; L72-I81 HydrophobicContact CD2-CG2 4.45Å; L72-I81 HydrophobicContact CG-CD1 4.42Å; L72-I81 HydrophobicContact CG-CG2 4.43Å; I77-I81 WeakPolarHBondContact O-CG1 3.28Å; I77-I81 PolarHBondContact O-N 3.15Å; E78-I81 PolarHBondContact O-N 3.13Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3Å; I81-Y84 PolarHBondContact O-N 3.35Å; I81-I85 HydrophobicContact CG2-CD1 3.92Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.43Å; I81-V101 HydrophobicContact CG2-CG1 4.35Å; I81-V101 HydrophobicContact CG2-CG2 4.11Å
82A89.4Confident89Confident13 Ų1370.3 Ų70.311%0.10733%0.334CS..Hα-helixtrans-60.4-43.7178.500000112E78 K79 Y84 K86 C99 V101E78-A82 WeakPolarHBondContact O-CB 3.38Å; E78-A82 PolarHBondContact O-N 3.11Å; K79-A82 PolarHBondContact O-N 3.01Å; A82-Y84 PolarHBondContact O-N 2.98Å; A82-K86 VanDerWaalsContact O-CB 3.31Å; A82-K86 WeakPolarHBondContact O-CB 3.39Å; A82-K86 PolarHBondContact O-N 3.44Å; A82-C99 HydrophobicContact CB-CB 4.29Å; A82-C99 WeakPolarHBondContact O-CB 3.47Å; A82-V101 HydrophobicContact CB-CB 4.36Å; A82-V101 HydrophobicContact CB-CG2 3.8Å
83A90.4Very high89Confident55 Ų5572.3 Ų72.346%0.45534%0.341SS..Hα-helixtrans-64.9-37.8178.300000112.6K79 D80 I81 K87K79-A83 WeakPolarHBondContact O-CB 3.3Å; K79-A83 PolarHBondContact O-N 2.94Å; D80-A83 PolarHBondContact O-N 3.42Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-A83 PolarHBondContact O-N 3Å; A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 2.9Å
84Y93Very high89Confident36 Ų3673.7 Ų73.714%0.14135%0.351CS..Hα-helixtrans-64.5-51.7176.2-178.3-91.3000111.5A71 K74 Y75 D80 I81 A82 K86 K87 E88A71-Y84 HydrophobicContact CB-CD1 3.59Å; A71-Y84 HydrophobicContact CB-CE1 4.22Å; A71-Y84 HydrophobicContact CB-CG 4.27Å; K74-Y84 PolarHBondContact NZ-OH 3.23Å; K74-Y84 VanDerWaalsContact NZ-OH 3.14Å; Y75-Y84 HydrophobicContact CD2-CD2 4.5Å; Y75-Y84 HydrophobicContact CD2-CG 4.39Å; Y75-Y84 AromaticContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CD2 3.47Å; Y75-Y84 VanDerWaalsContact CE2-CD2 3.47Å; Y75-Y84 HydrophobicContact CE2-CE2 4.13Å; Y75-Y84 AromaticContact CE2-CG 3.74Å; Y75-Y84 HydrophobicContact CE2-CG 3.74Å; D80-Y84 WeakPolarHBondContact O-CB 3.39Å; D80-Y84 PolarHBondContact O-N 3.31Å; I81-Y84 PolarHBondContact O-N 3.35Å; A82-Y84 PolarHBondContact O-N 2.98Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 3.4Å; Y84-K87 PolarHBondContact O-N 2.72Å; Y84-K87 VanDerWaalsContact O-N 3.15Å; Y84-E88 HydrophobicContact CD1-CG 4.35Å; Y84-E88 HydrophobicContact CE1-CG 4Å; Y84-E88 PolarHBondContact O-N 2.84Å
85I92.3Very high89.1Confident2 Ų271.9 Ų71.91%0.0135%0.352CS..Hα-helixtrans-59.4-47.5180-63165.3000110A68 A71 I81 K87 E88 F89 I126 L128A68-I85 HydrophobicContact CB-CD1 3.93Å; A71-I85 HydrophobicContact CB-CD1 4.42Å; A71-I85 HydrophobicContact CB-CG1 4.05Å; I81-I85 HydrophobicContact CG2-CD1 3.92Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.43Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.01Å; I85-E88 PolarHBondContact O-N 3.48Å; I85-F89 HydrophobicContact CG2-CD2 4.01Å; I85-F89 HydrophobicContact CG2-CE2 4.37Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 PolarHBondContact O-N 3.21Å; I85-I126 HydrophobicContact CD1-CG2 4.23Å; I85-L128 HydrophobicContact CG2-CD1 4.15Å; I85-L128 HydrophobicContact CG2-CD2 4.19Å
86K91.4Very high89.2Confident68 Ų6871.1 Ų71.130%0.29636%0.356SS..Hα-helixtrans-54.2-48176.1-179.4-171.4-175.3-45.50111.5A82 Y84 E88 F89 D90 W97 C99A82-K86 VanDerWaalsContact O-CB 3.31Å; A82-K86 WeakPolarHBondContact O-CB 3.39Å; A82-K86 PolarHBondContact O-N 3.44Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-K86 PolarHBondContact O-N 3.4Å; K86-E88 PolarHBondContact O-N 2.96Å; K86-F89 PolarHBondContact O-N 3.5Å; K86-D90 IonicContact NZ-OD1 3.27Å; K86-D90 IonicContact NZ-OD2 2.77Å; K86-D90 PolarHBondContact NZ-OD2 3.27Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 3.43Å; K86-W97 WeakPolarHBondContact CD-O 3.41Å; K86-W97 WeakPolarHBondContact CE-O 3.35Å; K86-W97 HydrophobicContact CG-CB 4.46Å; K86-W97 WeakPolarHBondContact CG-O 3.08Å; K86-W97 PolarHBondContact NZ-O 3.37Å; K86-C99 HydrophobicContact CB-CB 4.28Å
87K91.9Very high89.6Confident130 Ų13065.7 Ų65.757%0.56533%0.327SS*.Hα-helixtrans-65.9-38.2-176.3-174.5177.5-177.9-179.50112.5A83 Y84 I85 K91A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 2.9Å; Y84-K87 PolarHBondContact O-N 2.72Å; Y84-K87 VanDerWaalsContact O-N 3.15Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 3.01Å; K87-K91 VanDerWaalsContact O-CG 3.3Å; K87-K91 WeakPolarHBondContact O-CG 3.1Å; K87-K91 PolarHBondContact O-N 3.34Å
88E92.3Very high89.7Confident63 Ų6364.5 Ų64.529%0.29432%0.319SS..Hα-helixtrans-71-41.5177.4-68.4-59.5106.400111.2Y84 I85 K86 K91 K92Y84-E88 HydrophobicContact CD1-CG 4.35Å; Y84-E88 HydrophobicContact CE1-CG 4Å; Y84-E88 PolarHBondContact O-N 2.84Å; I85-E88 PolarHBondContact O-N 3.48Å; K86-E88 PolarHBondContact O-N 2.96Å; E88-K91 PolarHBondContact O-N 3.06Å; E88-K91 IonicContact OE1-NZ 2.84Å; E88-K91 PolarHBondContact OE1-NZ 3.15Å; E88-K92 PolarHBondContact O-N 2.88Å
89F90.3Very high90.1Very high1 Ų161.6 Ų61.60%0.00431%0.307CS..Hα-helixtrans-67.6-40.5175.8-90.8-100.7000113.2M60 A64 C67 I85 K86 K91 K92 Y93 W97 L128M60-F89 HydrophobicContact CG-CE1 4.14Å; A64-F89 HydrophobicContact CB-CE1 4.49Å; A64-F89 HydrophobicContact CB-CE2 4.19Å; A64-F89 HydrophobicContact CB-CZ 3.63Å; C67-F89 HydrophobicContact CB-CE2 4.16Å; I85-F89 HydrophobicContact CG2-CD2 4.01Å; I85-F89 HydrophobicContact CG2-CE2 4.37Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 WeakPolarHBondContact O-CD2 3.38Å; I85-F89 PolarHBondContact O-N 3.21Å; K86-F89 PolarHBondContact O-N 3.5Å; F89-K91 PolarHBondContact O-N 3.03Å; F89-K92 PolarHBondContact O-N 2.93Å; F89-Y93 AromaticContact CD1-CD2 3.46Å; F89-Y93 HydrophobicContact CD1-CD2 3.46Å; F89-Y93 VanDerWaalsContact CD1-CD2 3.46Å; F89-Y93 AromaticContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 AromaticContact CE1-CD2 3.69Å; F89-Y93 HydrophobicContact CE1-CD2 3.69Å; F89-Y93 AromaticContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CG-CD2 4.22Å; F89-Y93 HydrophobicContact CZ-CE2 4.21Å; F89-Y93 PolarHBondContact O-N 3.03Å; F89-W97 HydrophobicContact CB-CB 4.35Å; F89-W97 HydrophobicContact CB-CD2 4.03Å; F89-W97 HydrophobicContact CB-CG 3.91Å; F89-W97 HydrophobicContact CD1-CD2 4.17Å; F89-W97 HydrophobicContact CD1-CE3 4.16Å; F89-W97 HydrophobicContact CD1-CH2 4.05Å; F89-W97 HydrophobicContact CD1-CZ2 4.08Å; F89-W97 HydrophobicContact CD1-CZ3 4.1Å; F89-W97 HydrophobicContact CE1-CH2 4.48Å; F89-L128 HydrophobicContact CD1-CD2 3.72Å; F89-L128 HydrophobicContact CD2-CD2 3.95Å; F89-L128 HydrophobicContact CE1-CD2 3.72Å; F89-L128 HydrophobicContact CE2-CD2 3.95Å; F89-L128 HydrophobicContact CG-CD2 3.85Å; F89-L128 HydrophobicContact CZ-CD2 3.85Å
90D90.9Very high90.2Very high32 Ų3256.1 Ų56.117%0.17129%0.286CS..Hα-helixtrans-58.8-35.8175.5-78.9-22.7000112.2K86 N94 P95 W97K86-D90 IonicContact NZ-OD1 3.27Å; K86-D90 IonicContact NZ-OD2 2.77Å; K86-D90 PolarHBondContact NZ-OD2 3.27Å; K86-D90 WeakPolarHBondContact O-CB 3.49Å; K86-D90 PolarHBondContact O-N 3.43Å; D90-N94 CarbonylContact O-C 3.44Å; D90-N94 WeakPolarHBondContact O-CA 3.34Å; D90-N94 PolarHBondContact O-N 2.92Å; D90-P95 HydrophobicContact CB-CB 4.48Å; D90-W97 WeakPolarHBondContact OD1-CB 3.41Å; D90-W97 PolarHBondContact OD1-N 3.34Å
91K91.2Very high90.2Very high137 Ų13754 Ų5460%0.59628%0.275SS*.Hα-helixtrans-74-36.9178.1-71.2169.5-175.1169.30112.8K87 E88 F89K87-K91 VanDerWaalsContact O-CG 3.3Å; K87-K91 WeakPolarHBondContact O-CG 3.1Å; K87-K91 PolarHBondContact O-N 3.34Å; E88-K91 PolarHBondContact O-N 3.06Å; E88-K91 IonicContact OE1-NZ 2.84Å; E88-K91 PolarHBondContact OE1-NZ 3.15Å; F89-K91 PolarHBondContact O-N 3.03Å
92K90.1Very high90.1Very high114 Ų11454.4 Ų54.450%0.49628%0.279SS..Hα-helixtrans-89.8-35.7-171.6-167.5173178-171.40113D63 E88 F89D63-K92 IonicContact OD1-NZ 2.6Å; D63-K92 PolarHBondContact OD1-NZ 3.23Å; D63-K92 WeakPolarHBondContact OD2-CD 3.44Å; D63-K92 IonicContact OD2-NZ 3.78Å; D63-K92 PolarHBondContact OD2-NZ 2.94Å; E88-K92 PolarHBondContact O-N 2.88Å; F89-K92 PolarHBondContact O-N 2.93Å
93Y86.3Confident89.8Confident54 Ų5457.3 Ų57.321%0.21229%0.287CS..Hα-helixtrans-124.418.6-171-60.2-71.1000113.7M60 D63 F89 W97M60-Y93 HydrophobicContact CE-CD1 3.63Å; M60-Y93 HydrophobicContact CE-CE1 3.41Å; M60-Y93 VanDerWaalsContact CE-CE1 3.41Å; M60-Y93 HydrophobicContact CE-CG 4.36Å; M60-Y93 HydrophobicContact CG-CE1 4.3Å; M60-Y93 HydrophobicContact CG-CE2 4.11Å; M60-Y93 HydrophobicContact SD-CD1 4.39Å; M60-Y93 HydrophobicContact SD-CE1 4.28Å; D63-Y93 PolarHBondContact OD2-OH 2.96Å; F89-Y93 AromaticContact CD1-CD2 3.46Å; F89-Y93 HydrophobicContact CD1-CD2 3.46Å; F89-Y93 VanDerWaalsContact CD1-CD2 3.46Å; F89-Y93 AromaticContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CE2 3.89Å; F89-Y93 HydrophobicContact CD1-CG 4.47Å; F89-Y93 AromaticContact CE1-CD2 3.69Å; F89-Y93 HydrophobicContact CE1-CD2 3.69Å; F89-Y93 AromaticContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CE1-CE2 3.63Å; F89-Y93 HydrophobicContact CG-CD2 4.22Å; F89-Y93 HydrophobicContact CZ-CE2 4.21Å; F89-Y93 PolarHBondContact O-N 3.03Å; Y93-W97 HydrophobicContact CG-CZ2 4.29Å
94N86.4Confident89.3Confident111 Ų11162.3 Ų62.359%0.59431%0.306SS*.  trans67.4145.2-179.2-56.630.1000113.9D90 W97D90-N94 CarbonylContact O-C 3.44Å; D90-N94 WeakPolarHBondContact O-CA 3.34Å; D90-N94 PolarHBondContact O-N 2.92Å; N94-W97 PolarHBondContact O-NE1 2.8Å
95P88.5Confident88.8Confident86 Ų8663.1 Ų63.156%0.55831%0.311SS*.SBendtrans-69.3159.6175.329.7-35.3000112.3D90D90-P95 HydrophobicContact CB-CB 4.48Å
96T88.6Confident88.1Confident68 Ų6867 Ų6742%0.41735%0.351SS..  cis-109.3113.83.239.90000113S131T96-S131 PolarHBondContact O-N 2.6Å; T96-S131 PolarHBondContact OG1-O 2.84Å
97W91.1Very high87.2Confident0 Ų066.2 Ų66.20%035%0.354CS..EExtended strand (participates in β ladder)trans-87151.4171.4-70.481000111.9M56 M60 K86 F89 D90 Y93 N94 H115 L128 K130M56-W97 HydrophobicContact CE-CH2 4.47Å; M56-W97 HydrophobicContact CE-CZ3 4.43Å; M60-W97 HydrophobicContact SD-CH2 4.2Å; K86-W97 WeakPolarHBondContact CD-O 3.41Å; K86-W97 WeakPolarHBondContact CE-O 3.35Å; K86-W97 HydrophobicContact CG-CB 4.46Å; K86-W97 WeakPolarHBondContact CG-O 3.08Å; K86-W97 PolarHBondContact NZ-O 3.37Å; F89-W97 HydrophobicContact CB-CB 4.35Å; F89-W97 HydrophobicContact CB-CD2 4.03Å; F89-W97 HydrophobicContact CB-CG 3.91Å; F89-W97 HydrophobicContact CD1-CD2 4.17Å; F89-W97 HydrophobicContact CD1-CE3 4.16Å; F89-W97 HydrophobicContact CD1-CH2 4.05Å; F89-W97 HydrophobicContact CD1-CZ2 4.08Å; F89-W97 HydrophobicContact CD1-CZ3 4.1Å; F89-W97 HydrophobicContact CE1-CH2 4.48Å; D90-W97 WeakPolarHBondContact OD1-CB 3.41Å; D90-W97 PolarHBondContact OD1-N 3.34Å; Y93-W97 HydrophobicContact CG-CZ2 4.29Å; N94-W97 PolarHBondContact O-NE1 2.8Å; W97-H115 HydrophobicContact CH2-CB 3.84Å; W97-H115 AromaticContact CH2-CD2 3.84Å; W97-H115 HydrophobicContact CZ2-CB 4.4Å; W97-H115 AromaticContact CZ2-CD2 3.75Å; W97-H115 HydrophobicContact CZ3-CB 4.3Å; W97-L128 HydrophobicContact CB-CD1 4.44Å; W97-L128 HydrophobicContact CE3-CD1 3.79Å; W97-L128 HydrophobicContact CE3-CD2 4.19Å; W97-L128 HydrophobicContact CE3-CG 3.73Å; W97-L128 HydrophobicContact CZ3-CD2 4.17Å; W97-L128 HydrophobicContact CZ3-CG 3.94Å; W97-K130 HydrophobicContact CD2-CB 4.13Å; W97-K130 HydrophobicContact CD2-CG 4.47Å; W97-K130 HydrophobicContact CE3-CB 4.12Å; W97-K130 HydrophobicContact CH2-CB 4.43Å; W97-K130 HydrophobicContact CZ2-CB 4.4Å; W97-K130 HydrophobicContact CZ2-CD 4.34Å; W97-K130 HydrophobicContact CZ3-CB 4.28Å
98H89.8Confident86.7Confident75 Ų7569.3 Ų69.335%0.34736%0.363SS..EExtended strand (participates in β ladder)trans-127.7130.1176-65.4-95.7000109.2L128 F129H98-L128 WeakPolarHBondContact O-CA 3.3Å; H98-F129 HydrophobicContact CB-CD1 4.09Å; H98-F129 HydrophobicContact CB-CD2 4.13Å; H98-F129 HydrophobicContact CB-CE1 3.63Å; H98-F129 HydrophobicContact CB-CE2 3.67Å; H98-F129 HydrophobicContact CB-CG 4.33Å; H98-F129 HydrophobicContact CB-CZ 3.39Å; H98-F129 AromaticContact CG-CE2 3.95Å; H98-F129 AromaticContact CG-CZ 3.97Å; H98-F129 PolarHBondContact N-O 2.81Å; H98-F129 PolarHBondContact O-N 2.83Å
99C91.1Very high86Confident22 Ų2268.1 Ų68.115%0.14936%0.361CS..EExtended strand (participates in β ladder)trans-125.7135.4179.4-173.10000110.1A82 K86 L127 L128A82-C99 HydrophobicContact CB-CB 4.29Å; A82-C99 WeakPolarHBondContact O-CB 3.47Å; K86-C99 HydrophobicContact CB-CB 4.28Å; C99-L127 CarbonylContact C-O 3.5Å; C99-L127 WeakPolarHBondContact CA-O 3.31Å; C99-L128 HydrophobicContact CB-CD1 3.92Å
100I90.1Very high85.6Confident50 Ų5073.2 Ų73.226%0.25639%0.392SS..EExtended strand (participates in β ladder)trans-127.9130176.3-55.3179.3000107.7F105 I126 L127 F129I100-F105 HydrophobicContact CG2-CD2 4.08Å; I100-F105 HydrophobicContact CG2-CE2 4.08Å; I100-F105 HydrophobicContact CG2-CG 4.35Å; I100-F105 HydrophobicContact CG2-CZ 4.33Å; I100-I126 WeakPolarHBondContact O-CA 3.33Å; I100-L127 HydrophobicContact CB-CB 4.33Å; I100-L127 HydrophobicContact CD1-CD2 4.35Å; I100-L127 PolarHBondContact N-O 3.18Å; I100-L127 PolarHBondContact O-N 2.94Å; I100-F129 HydrophobicContact CD1-CE1 4.23Å
101V89.8Confident85.1Confident16 Ų1673.4 Ų73.410%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-128.9132.7-179.2-1790000108.3E78 I81 A82 V124 A125 I126E78-V101 HydrophobicContact CB-CB 4.43Å; E78-V101 HydrophobicContact CB-CG1 4.23Å; E78-V101 HydrophobicContact CG-CG1 4.37Å; I81-V101 HydrophobicContact CG2-CG1 4.35Å; I81-V101 HydrophobicContact CG2-CG2 4.11Å; A82-V101 HydrophobicContact CB-CB 4.36Å; A82-V101 HydrophobicContact CB-CG2 3.8Å; V101-V124 HydrophobicContact CG1-CG1 3.38Å; V101-A125 WeakPolarHBondContact CA-O 3.31Å; V101-I126 HydrophobicContact CG1-CG1 4.33Å; V101-I126 HydrophobicContact CG2-CG1 4.27Å; V101-I126 HydrophobicContact CG2-CG2 4.31Å
102G86.8Confident84.7Confident9 Ų969.8 Ų69.89%0.09338%0.377CS..EExtended strand (participates in β ladder)trans177166.7177.100000112.7F105 A125G102-F105 WeakPolarHBondContact O-CE1 3.47Å; G102-A125 PolarHBondContact N-O 3.27Å; G102-A125 WeakPolarHBondContact O-CA 3.32Å; G102-A125 WeakPolarHBondContact O-CB 2.98Å; G102-A125 PolarHBondContact O-N 2.77Å
103R83.9Confident84.3Confident74 Ų7468.2 Ų68.228%0.27938%0.377SS..SBendtrans-83.9-35.2-179.5-56.4-174.5-168-1610.5113.4
104N79.7Confident84.3Confident160 Ų16072.6 Ų72.686%0.85640%0.397SS*.SBendtrans-137.897.7-177.7-68.480.3000108.8
105F81.6Confident84.4Confident54 Ų5469.6 Ų69.624%0.23738%0.379CS..  trans-143.9144.8172.765.3-90.5000110.4I100 G102 Y118 A125 L127I100-F105 HydrophobicContact CG2-CD2 4.08Å; I100-F105 HydrophobicContact CG2-CE2 4.08Å; I100-F105 HydrophobicContact CG2-CG 4.35Å; I100-F105 HydrophobicContact CG2-CZ 4.33Å; G102-F105 WeakPolarHBondContact O-CE1 3.47Å; F105-Y118 HydrophobicContact CE2-CE2 4.18Å; F105-Y118 HydrophobicContact CZ-CE2 4Å; F105-A125 HydrophobicContact CD1-CB 4.24Å; F105-A125 HydrophobicContact CE1-CB 3.34Å; F105-A125 WeakPolarHBondContact CE1-O 3.5Å; F105-A125 HydrophobicContact CZ-CB 3.7Å; F105-L127 HydrophobicContact CE2-CB 3.78Å; F105-L127 HydrophobicContact CE2-CD2 4.24Å; F105-L127 HydrophobicContact CZ-CB 3.92Å
106G78.3Confident84.5Confident83 Ų8365.7 Ų65.786%0.85635%0.354SS*.  trans-122.8124.5167.100000107.6
107S72.4Confident84.7Confident51 Ų5162.5 Ų62.536%0.35733%0.334SS..  trans-133.7133.8-179.253.80000110.4L127S107-L127 WeakPolarHBondContact OG-CD2 3.5Å
108Y80.9Confident84.7Confident195 Ų19563.9 Ų63.977%0.76534%0.339SS*.  trans-101.7112.8170.9-173.4-97.1000108.2
109V78.8Confident84.8Confident39 Ų3960.4 Ų60.424%0.23632%0.323CS..  trans-131.9135.2-175.1-61.70000110.5F116 L127 F129V109-F116 HydrophobicContact CG2-CE2 4.35Å; V109-L127 HydrophobicContact CG2-CD2 4.32Å; V109-F129 HydrophobicContact CB-CD2 4.32Å; V109-F129 HydrophobicContact CB-CE1 4.17Å; V109-F129 HydrophobicContact CB-CE2 3.96Å; V109-F129 HydrophobicContact CB-CZ 3.87Å; V109-F129 HydrophobicContact CG1-CE1 3.87Å; V109-F129 HydrophobicContact CG1-CE2 4.24Å; V109-F129 HydrophobicContact CG1-CZ 3.65Å; V109-F129 HydrophobicContact CG2-CD1 3.98Å; V109-F129 HydrophobicContact CG2-CD2 4.25Å; V109-F129 HydrophobicContact CG2-CE1 4.07Å; V109-F129 HydrophobicContact CG2-CE2 4.33Å; V109-F129 HydrophobicContact CG2-CG 4.08Å; V109-F129 HydrophobicContact CG2-CZ 4.24Å
110T81.9Confident84.7Confident107 Ų10762.8 Ų62.866%0.65633%0.33SS*.  trans-85.8123.3168.549.70000108.2
111H80.3Confident84.6Confident37 Ų3760.7 Ų60.717%0.17132%0.319CS..  trans-123.6157.4-177.656.7-87.4000110.7D3 F116 F129 K130D3-H111 PolarHBondContact O-CE1 2.85Å; H111-F116 HydrophobicContact CB-CB 4.46Å; H111-F116 HydrophobicContact CB-CD2 4.21Å; H111-F116 WeakPolarHBondContact CD2-CB 3.47Å; H111-F116 AromaticContact CD2-CD2 3.96Å; H111-F116 AromaticContact CD2-CG 3.87Å; H111-F116 AromaticContact CE1-CD2 3.69Å; H111-F116 AromaticContact CE1-CG 3.9Å; H111-F116 AromaticContact CG-CD2 3.66Å; H111-F116 AromaticContact ND1-CD2 3.49Å; H111-F116 WeakPolarHBondContact ND1-CD2 3.43Å; H111-F116 AromaticContact NE2-CD2 3.98Å; H111-F116 AromaticContact NE2-CG 3.78Å; H111-F129 HydrophobicContact CB-CB 3.93Å; H111-F129 HydrophobicContact CB-CD2 4.29Å; H111-K130 WeakPolarHBondContact CA-O 3.35Å
112E83.1Confident84.4Confident61 Ų6162.1 Ų62.129%0.28534%0.337SS..  trans-67.5142.5167-72.9179.5-147.500110.5H115 K130E112-H115 PolarHBondContact O-N 2.84Å; E112-K130 PolarHBondContact N-O 2.94Å; E112-K130 IonicContact OE1-NZ 2.77Å; E112-K130 PolarHBondContact OE1-NZ 3.39Å; E112-K130 IonicContact OE2-NZ 2.72Å; E112-K130 PolarHBondContact OE2-NZ 2.93Å
113T82.1Confident84.3Confident81 Ų8167.9 Ų67.950%0.49736%0.361SS..THydrogen-bonded Turntrans-57.1143.4174.853.40000110.8H115T113-H115 PolarHBondContact O-N 2.86Å; T113-H115 PolarHBondContact O-ND1 3.34Å
114K85.7Confident84.4Confident145 Ų14564.9 Ų64.963%0.6335%0.351SS*.THydrogen-bonded Turntrans67.511.1179.4-52.7-176.6176.9-178.60116.1D55 M56D55-K114 CarbonylContact O-C 3.54Å; D55-K114 WeakPolarHBondContact O-CA 3.36Å; D55-K114 PolarHBondContact OD2-N 2.83Å; M56-K114 WeakPolarHBondContact CB-O 3.43Å
115H88.2Confident84.9Confident48 Ų4857.3 Ų57.322%0.22231%0.311CS..  trans-132.349.1-179.4-58.788.5000111.6D55 W97 E112 T113 F129 K130D55-H115 PolarHBondContact O-N 2.86Å; D55-H115 VanDerWaalsContact O-N 3.11Å; W97-H115 HydrophobicContact CH2-CB 3.84Å; W97-H115 AromaticContact CH2-CD2 3.84Å; W97-H115 HydrophobicContact CZ2-CB 4.4Å; W97-H115 AromaticContact CZ2-CD2 3.75Å; W97-H115 HydrophobicContact CZ3-CB 4.3Å; E112-H115 PolarHBondContact O-N 2.84Å; T113-H115 PolarHBondContact O-N 2.86Å; T113-H115 PolarHBondContact O-ND1 3.34Å; H115-F129 WeakPolarHBondContact O-CA 3.33Å; H115-K130 HydrophobicContact CB-CB 3.57Å; H115-K130 HydrophobicContact CB-CD 4.31Å; H115-K130 PolarHBondContact O-N 3.49Å
116F90.4Very high85.3Confident5 Ų554.8 Ų54.82%0.02230%0.3CS..EExtended strand (participates in β ladder)trans-139131.6-179.2174.9-84.2000111.9V5 N53 D55 V109 H111 L127 F129V5-F116 HydrophobicContact CB-CE1 4.36Å; V5-F116 HydrophobicContact CB-CZ 4.02Å; V5-F116 HydrophobicContact CG1-CE1 4.42Å; V5-F116 HydrophobicContact CG1-CZ 4.08Å; V5-F116 HydrophobicContact CG2-CD1 4.02Å; V5-F116 HydrophobicContact CG2-CE1 3.33Å; V5-F116 HydrophobicContact CG2-CE2 4.16Å; V5-F116 HydrophobicContact CG2-CZ 3.41Å; V5-F116 VanDerWaalsContact CG2-CZ 3.41Å; N53-F116 HydrophobicContact CB-CE1 3.87Å; D55-F116 CarbonylContact C-O 2.8Å; D55-F116 HydrophobicContact CB-CB 4.35Å; D55-F116 PolarHBondContact N-O 3.16Å; D55-F116 PolarHBondContact O-N 3.46Å; D55-F116 VanDerWaalsContact O-N 3.13Å; V109-F116 HydrophobicContact CG2-CE2 4.35Å; H111-F116 HydrophobicContact CB-CB 4.46Å; H111-F116 HydrophobicContact CB-CD2 4.21Å; H111-F116 WeakPolarHBondContact CD2-CB 3.47Å; H111-F116 AromaticContact CD2-CD2 3.96Å; H111-F116 AromaticContact CD2-CG 3.87Å; H111-F116 AromaticContact CE1-CD2 3.69Å; H111-F116 AromaticContact CE1-CG 3.9Å; H111-F116 AromaticContact CG-CD2 3.66Å; H111-F116 AromaticContact ND1-CD2 3.49Å; H111-F116 WeakPolarHBondContact ND1-CD2 3.43Å; H111-F116 AromaticContact NE2-CD2 3.98Å; H111-F116 AromaticContact NE2-CG 3.78Å; F116-L127 HydrophobicContact CD2-CD1 4.49Å; F116-L127 HydrophobicContact CE2-CD1 3.56Å; F116-L127 HydrophobicContact CZ-CD1 3.57Å; F116-F129 HydrophobicContact CD2-CB 3.88Å
117I92.5Very high86Confident0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-144.6136.6172.4-168.9177.3000111.3A54 M56 Q61 A64 F119 L128A54-I117 HydrophobicContact CB-CD1 4.5Å; A54-I117 HydrophobicContact CB-CG1 4Å; M56-I117 HydrophobicContact CE-CB 3.6Å; M56-I117 HydrophobicContact CE-CG2 3.57Å; M56-I117 HydrophobicContact SD-CB 3.88Å; M56-I117 HydrophobicContact SD-CD1 4.14Å; M56-I117 HydrophobicContact SD-CG2 4.06Å; Q61-I117 HydrophobicContact CB-CD1 4.01Å; Q61-I117 HydrophobicContact CG-CD1 4.1Å; A64-I117 HydrophobicContact CB-CD1 4.07Å; A64-I117 HydrophobicContact CB-CG2 4.27Å; I117-F119 HydrophobicContact CD1-CD1 3.95Å; I117-F119 HydrophobicContact CD1-CE1 4.31Å; I117-F119 HydrophobicContact CG1-CD1 3.92Å; I117-F119 HydrophobicContact CG2-CE1 4.44Å; I117-L128 HydrophobicContact CG2-CB 3.72Å; I117-L128 HydrophobicContact CG2-CD2 4.1Å; I117-L128 HydrophobicContact CG2-CG 4.32Å; I117-L128 PolarHBondContact N-O 3.41Å; I117-L128 PolarHBondContact O-N 3.21Å
118Y91.3Very high86.9Confident29 Ų2948.7 Ų48.711%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-132.3116.1176.1179.6-125.5000109.7K52 N53 F105 Y120 A125 L127K52-Y118 HydrophobicContact CB-CD1 3.43Å; K52-Y118 VanDerWaalsContact CB-CD1 3.43Å; K52-Y118 HydrophobicContact CB-CE1 3.78Å; K52-Y118 HydrophobicContact CB-CG 4.38Å; K52-Y118 HydrophobicContact CG-CD1 4.01Å; K52-Y118 HydrophobicContact CG-CE1 3.87Å; K52-Y118 PolarHBondContact N-O 3.29Å; N53-Y118 PolarHBondContact N-O 3.35Å; N53-Y118 VanDerWaalsContact N-O 3.16Å; N53-Y118 PolarHBondContact O-N 3.18Å; N53-Y118 VanDerWaalsContact O-O 3.13Å; F105-Y118 HydrophobicContact CE2-CE2 4.18Å; F105-Y118 HydrophobicContact CZ-CE2 4Å; Y118-Y120 AromaticContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE2-CE2 4.39Å; Y118-Y120 AromaticContact CZ-CE2 3.59Å; Y118-Y120 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y120 WeakPolarHBondContact OH-CE2 3.35Å; Y118-Y120 VanDerWaalsContact OH-CZ 3.3Å; Y118-Y120 PolarHBondContact OH-OH 2.77Å; Y118-A125 HydrophobicContact CE2-CB 4.06Å; Y118-L127 HydrophobicContact CD2-CB 4.04Å; Y118-L127 HydrophobicContact CD2-CD1 3.8Å; Y118-L127 HydrophobicContact CG-CD1 4.08Å
119F91.6Very high87.3Confident2 Ų240.1 Ų40.11%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-144.4158.8-177.966.9-80.2000111.8V50 I51 V65 A68 I117 L121 I126V50-F119 CarbonylContact O-C 3.5Å; V50-F119 VanDerWaalsContact O-CA 3.31Å; V50-F119 WeakPolarHBondContact O-CA 3.46Å; I51-F119 HydrophobicContact CB-CB 4.42Å; I51-F119 HydrophobicContact CG1-CB 4.11Å; V65-F119 HydrophobicContact CG2-CD2 4.25Å; V65-F119 HydrophobicContact CG2-CE2 4.17Å; V65-F119 HydrophobicContact CG2-CZ 4.46Å; A68-F119 HydrophobicContact CB-CE2 3.93Å; A68-F119 HydrophobicContact CB-CZ 3.61Å; I117-F119 HydrophobicContact CD1-CD1 3.95Å; I117-F119 HydrophobicContact CD1-CE1 4.31Å; I117-F119 HydrophobicContact CG1-CD1 3.92Å; I117-F119 HydrophobicContact CG2-CE1 4.44Å; F119-L121 HydrophobicContact CD2-CB 4.38Å; F119-L121 HydrophobicContact CE2-CB 4.24Å; F119-L121 HydrophobicContact CE2-CD1 4.1Å; F119-I126 HydrophobicContact CD1-CB 4.31Å; F119-I126 HydrophobicContact CE1-CB 3.88Å; F119-I126 HydrophobicContact CE1-CG2 3.74Å; F119-I126 HydrophobicContact CE2-CB 4.1Å; F119-I126 HydrophobicContact CE2-CD1 3.87Å; F119-I126 HydrophobicContact CE2-CG1 4.4Å; F119-I126 HydrophobicContact CZ-CB 3.78Å; F119-I126 HydrophobicContact CZ-CD1 3.93Å; F119-I126 HydrophobicContact CZ-CG1 4.39Å; F119-I126 HydrophobicContact CZ-CG2 3.75Å; F119-I126 PolarHBondContact N-O 2.88Å; F119-I126 PolarHBondContact O-N 3.36Å
120Y89.9Confident87.8Confident72 Ų7239.8 Ų39.828%0.28221%0.206SC..EExtended strand (participates in β ladder)trans-105.7135.6172.2-76.4-101.4000109.3A49 V50 K52 Y118 V124 A125A49-Y120 CarbonylContact C-O 3.55Å; A49-Y120 WeakPolarHBondContact CA-O 3.48Å; V50-Y120 PolarHBondContact N-O 3.18Å; V50-Y120 PolarHBondContact O-N 3.03Å; K52-Y120 HydrophobicContact CD-CD2 4.35Å; K52-Y120 HydrophobicContact CD-CE2 4.39Å; K52-Y120 HydrophobicContact CG-CD2 3.65Å; K52-Y120 HydrophobicContact CG-CE2 3.74Å; Y118-Y120 AromaticContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE1-CE2 3.89Å; Y118-Y120 HydrophobicContact CE2-CE2 4.39Å; Y118-Y120 AromaticContact CZ-CE2 3.59Å; Y118-Y120 VanDerWaalsContact OH-CE2 3.26Å; Y118-Y120 WeakPolarHBondContact OH-CE2 3.35Å; Y118-Y120 VanDerWaalsContact OH-CZ 3.3Å; Y118-Y120 PolarHBondContact OH-OH 2.77Å; Y120-V124 WeakPolarHBondContact CA-O 3.47Å; Y120-A125 HydrophobicContact CD1-CB 3.84Å; Y120-A125 HydrophobicContact CE1-CB 3.57Å; Y120-A125 HydrophobicContact CE2-CB 4.27Å; Y120-A125 HydrophobicContact CG-CB 4.32Å
121L88.1Confident87.7Confident6 Ų636.6 Ų36.63%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-120.996.1173.4-157.4163.5000107R47 A68 L72 F119 Q123 V124 I126R47-L121 HydrophobicContact CB-CD2 3.52Å; R47-L121 HydrophobicContact CG-CD2 3.75Å; A68-L121 HydrophobicContact CB-CD1 4Å; L72-L121 HydrophobicContact CD1-CB 4.29Å; L72-L121 HydrophobicContact CD1-CD1 3.79Å; L72-L121 HydrophobicContact CD1-CD2 3.51Å; L72-L121 HydrophobicContact CD1-CG 4.06Å; F119-L121 HydrophobicContact CD2-CB 4.38Å; F119-L121 HydrophobicContact CE2-CB 4.24Å; F119-L121 HydrophobicContact CE2-CD1 4.1Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-V124 PolarHBondContact N-O 3.36Å; L121-V124 PolarHBondContact O-N 3.4Å; L121-I126 HydrophobicContact CB-CD1 4.34Å
122G85.9Confident86.9Confident46 Ų4640.5 Ų40.547%0.47424%0.238SC..THydrogen-bonded Turntrans64.6-113.3-168.300000112.1
123Q83.1Confident87.1Confident130 Ų13039.5 Ų39.561%0.60724%0.236SC*.THydrogen-bonded Turntrans-100.51179.9-62.2-1778.100113.6L121L121-Q123 PolarHBondContact O-N 3.43Å
124V86.8Confident87.4Confident12 Ų1237.3 Ų37.37%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-107.3125.3-177.5-177.20000108.4V101 Y120 L121 I126V101-V124 HydrophobicContact CG1-CG1 3.38Å; Y120-V124 WeakPolarHBondContact CA-O 3.47Å; L121-V124 PolarHBondContact N-O 3.36Å; L121-V124 PolarHBondContact O-N 3.4Å; V124-I126 HydrophobicContact CG1-CG1 4.4Å
125A90Very high87.5Confident1 Ų131.3 Ų31.31%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-85.8143.1169.200000110V101 G102 F105 Y118 Y120V101-A125 WeakPolarHBondContact CA-O 3.31Å; G102-A125 PolarHBondContact N-O 3.27Å; G102-A125 WeakPolarHBondContact O-CA 3.32Å; G102-A125 WeakPolarHBondContact O-CB 2.98Å; G102-A125 PolarHBondContact O-N 2.77Å; F105-A125 HydrophobicContact CD1-CB 4.24Å; F105-A125 HydrophobicContact CE1-CB 3.34Å; F105-A125 WeakPolarHBondContact CE1-O 3.5Å; F105-A125 HydrophobicContact CZ-CB 3.7Å; Y118-A125 HydrophobicContact CE2-CB 4.06Å; Y120-A125 HydrophobicContact CD1-CB 3.84Å; Y120-A125 HydrophobicContact CE1-CB 3.57Å; Y120-A125 HydrophobicContact CE2-CB 4.27Å; Y120-A125 HydrophobicContact CG-CB 4.32Å
126I90.8Very high87.4Confident0 Ų030.3 Ų30.30%020%0.198CC..EExtended strand (participates in β ladder)trans-130.7124.3179.5-57.2-179.9000107A68 I85 I100 V101 F119 L121 V124A68-I126 HydrophobicContact CB-CD1 3.53Å; I85-I126 HydrophobicContact CD1-CG2 4.23Å; I100-I126 WeakPolarHBondContact O-CA 3.33Å; V101-I126 HydrophobicContact CG1-CG1 4.33Å; V101-I126 HydrophobicContact CG2-CG1 4.27Å; V101-I126 HydrophobicContact CG2-CG2 4.31Å; F119-I126 HydrophobicContact CD1-CB 4.31Å; F119-I126 HydrophobicContact CE1-CB 3.88Å; F119-I126 HydrophobicContact CE1-CG2 3.74Å; F119-I126 HydrophobicContact CE2-CB 4.1Å; F119-I126 HydrophobicContact CE2-CD1 3.87Å; F119-I126 HydrophobicContact CE2-CG1 4.4Å; F119-I126 HydrophobicContact CZ-CB 3.78Å; F119-I126 HydrophobicContact CZ-CD1 3.93Å; F119-I126 HydrophobicContact CZ-CG1 4.39Å; F119-I126 HydrophobicContact CZ-CG2 3.75Å; F119-I126 PolarHBondContact N-O 2.88Å; F119-I126 PolarHBondContact O-N 3.36Å; L121-I126 HydrophobicContact CB-CD1 4.34Å; V124-I126 HydrophobicContact CG1-CG1 4.4Å
127L91.4Very high87.3Confident5 Ų531.9 Ų31.93%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-119.4122.5175.8179.771.2000108.2C99 I100 F105 S107 V109 F116 Y118 F129C99-L127 CarbonylContact C-O 3.5Å; C99-L127 WeakPolarHBondContact CA-O 3.31Å; I100-L127 HydrophobicContact CB-CB 4.33Å; I100-L127 HydrophobicContact CD1-CD2 4.35Å; I100-L127 PolarHBondContact N-O 3.18Å; I100-L127 PolarHBondContact O-N 2.94Å; F105-L127 HydrophobicContact CE2-CB 3.78Å; F105-L127 HydrophobicContact CE2-CD2 4.24Å; F105-L127 HydrophobicContact CZ-CB 3.92Å; S107-L127 WeakPolarHBondContact OG-CD2 3.5Å; V109-L127 HydrophobicContact CG2-CD2 4.32Å; F116-L127 HydrophobicContact CD2-CD1 4.49Å; F116-L127 HydrophobicContact CE2-CD1 3.56Å; F116-L127 HydrophobicContact CZ-CD1 3.57Å; Y118-L127 HydrophobicContact CD2-CB 4.04Å; Y118-L127 HydrophobicContact CD2-CD1 3.8Å; Y118-L127 HydrophobicContact CG-CD1 4.08Å; L127-F129 HydrophobicContact CD2-CD1 4.3Å; L127-F129 HydrophobicContact CD2-CE1 4.43Å; L127-F129 HydrophobicContact CG-CD1 4.2Å
128L91.6Very high86.9Confident1 Ų134 Ų341%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-127.6126178.6176.471.9000108.4A64 I85 F89 W97 H98 C99 I117A64-L128 HydrophobicContact CB-CD2 4.38Å; I85-L128 HydrophobicContact CG2-CD1 4.15Å; I85-L128 HydrophobicContact CG2-CD2 4.19Å; F89-L128 HydrophobicContact CD1-CD2 3.72Å; F89-L128 HydrophobicContact CD2-CD2 3.95Å; F89-L128 HydrophobicContact CE1-CD2 3.72Å; F89-L128 HydrophobicContact CE2-CD2 3.95Å; F89-L128 HydrophobicContact CG-CD2 3.85Å; F89-L128 HydrophobicContact CZ-CD2 3.85Å; W97-L128 HydrophobicContact CB-CD1 4.44Å; W97-L128 HydrophobicContact CE3-CD1 3.79Å; W97-L128 HydrophobicContact CE3-CD2 4.19Å; W97-L128 HydrophobicContact CE3-CG 3.73Å; W97-L128 HydrophobicContact CZ3-CD2 4.17Å; W97-L128 HydrophobicContact CZ3-CG 3.94Å; H98-L128 WeakPolarHBondContact O-CA 3.3Å; C99-L128 HydrophobicContact CB-CD1 3.92Å; I117-L128 HydrophobicContact CG2-CB 3.72Å; I117-L128 HydrophobicContact CG2-CD2 4.1Å; I117-L128 HydrophobicContact CG2-CG 4.32Å; I117-L128 PolarHBondContact N-O 3.41Å; I117-L128 PolarHBondContact O-N 3.21Å
129F90.8Very high86.6Confident16 Ų1634.4 Ų34.47%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-146.9151.9-18066.4-83.5000111.1H98 I100 V109 H111 H115 F116 L127H98-F129 HydrophobicContact CB-CD1 4.09Å; H98-F129 HydrophobicContact CB-CD2 4.13Å; H98-F129 HydrophobicContact CB-CE1 3.63Å; H98-F129 HydrophobicContact CB-CE2 3.67Å; H98-F129 HydrophobicContact CB-CG 4.33Å; H98-F129 HydrophobicContact CB-CZ 3.39Å; H98-F129 AromaticContact CG-CE2 3.95Å; H98-F129 AromaticContact CG-CZ 3.97Å; H98-F129 PolarHBondContact N-O 2.81Å; H98-F129 PolarHBondContact O-N 2.83Å; I100-F129 HydrophobicContact CD1-CE1 4.23Å; V109-F129 HydrophobicContact CB-CD2 4.32Å; V109-F129 HydrophobicContact CB-CE1 4.17Å; V109-F129 HydrophobicContact CB-CE2 3.96Å; V109-F129 HydrophobicContact CB-CZ 3.87Å; V109-F129 HydrophobicContact CG1-CE1 3.87Å; V109-F129 HydrophobicContact CG1-CE2 4.24Å; V109-F129 HydrophobicContact CG1-CZ 3.65Å; V109-F129 HydrophobicContact CG2-CD1 3.98Å; V109-F129 HydrophobicContact CG2-CD2 4.25Å; V109-F129 HydrophobicContact CG2-CE1 4.07Å; V109-F129 HydrophobicContact CG2-CE2 4.33Å; V109-F129 HydrophobicContact CG2-CG 4.08Å; V109-F129 HydrophobicContact CG2-CZ 4.24Å; H111-F129 HydrophobicContact CB-CB 3.93Å; H111-F129 HydrophobicContact CB-CD2 4.29Å; H115-F129 WeakPolarHBondContact O-CA 3.33Å; F116-F129 HydrophobicContact CD2-CB 3.88Å; L127-F129 HydrophobicContact CD2-CD1 4.3Å; L127-F129 HydrophobicContact CD2-CE1 4.43Å; L127-F129 HydrophobicContact CG-CD1 4.2Å
130K88.6Confident86.2Confident31 Ų3136.8 Ų36.814%0.13525%0.247CC..EExtended strand (participates in β ladder)trans-99.2135.3171.5-167.3-179.2170.5-134.50110.2W97 H111 E112 H115W97-K130 HydrophobicContact CD2-CB 4.13Å; W97-K130 HydrophobicContact CD2-CG 4.47Å; W97-K130 HydrophobicContact CE3-CB 4.12Å; W97-K130 HydrophobicContact CH2-CB 4.43Å; W97-K130 HydrophobicContact CZ2-CB 4.4Å; W97-K130 HydrophobicContact CZ2-CD 4.34Å; W97-K130 HydrophobicContact CZ3-CB 4.28Å; H111-K130 WeakPolarHBondContact CA-O 3.35Å; E112-K130 PolarHBondContact N-O 2.94Å; E112-K130 IonicContact OE1-NZ 2.77Å; E112-K130 PolarHBondContact OE1-NZ 3.39Å; E112-K130 IonicContact OE2-NZ 2.72Å; E112-K130 PolarHBondContact OE2-NZ 2.93Å; H115-K130 HydrophobicContact CB-CB 3.57Å; H115-K130 HydrophobicContact CB-CD 4.31Å; H115-K130 PolarHBondContact O-N 3.49Å
131S80.4Confident85.9Confident41 Ų4133.9 Ų33.929%0.28724%0.244SC..  trans-139.6127.9176.3-177.20000108.6T96T96-S131 PolarHBondContact O-N 2.6Å; T96-S131 PolarHBondContact OG1-O 2.84Å
132G63.5Low85.7Confident118 Ų11836.5 Ų36.5100%1.21626%0.264SS*.  trans-166.20-177.300000111

Retrieved 132 of 132 residues in 864.4 ms (Link to these results)