A0A087Y4W4_POEFO Loading...

Thrombospondin-1

AlphaFold DB , UniProt , Accession A0A087Y4W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,172 aa.

						>A0A087Y4W4_POEFO|A0A087Y4W4
MMLCGIFFLLMLWSCDGARLAESRDDNSVYDLFELARVSKRHNGVSLVKGSDPYSPAYKVLNADLIPPVPDASFRDLLDSIQAERGFLLLLNLKQSKKTRGSLLTVEKTDGSGPIFEIISNGKANTLDLVYSTERQLQVVSIEDAGLANGHWRNLTLFIQDDRAQLFVGCEEINVSELDVPIQTLLSRELADRARLRIGKGAVKDKFMGVLQNVHFVFGTSLDAILTNKGCKSGAALTQMMTLDNPVNGSSPAIRTDYTGHKSKDLQTVCGFSCEDITSMFKELRGLNVIVKQLSNELQKVSTDSELLKNQIIIRNEVCIHNGIEYNDKDEWTVDGCTECTCQNSATICRKISCPLIPCANATVPDGECCPRCGTPSDFPEGGWSAWSDWTHCSVTCGRGIQQRGRSCDRINSKCEGTSVQTRDCYPQECDKRFKQDGGWSHWSPWSSCSVTCGEGVMTQIRLCNSPTPQMGGRDCQGEGRHTKVCQMSPCPINGEWGPWSPWDTCSATCGGGVQTKNRLCNDPMPKYGGKDCIGDATMVQICNKQDCPIDGCLSNPCFPGTKCTSFRDGSFECGKCPLGYTGDGITCTDIDECKEVPDACHTHNGIHRCENTEPGYNCLPCPSRFSGPQPFGRGVEQATAKKQVCTPRNPCKDGSHNCHKNANCIYLGVYSESMFRCECKPGYAGNGRICGEDSDLDGWPNTDLPCVENATYHCKKDNCPNLPNSGQEDHDKDGLGDECDQDDDNDGIPDDRDNCPRVYNPAQYDADRDDVGDRCDNCVFEANTDQTDTDNNGEGDACAVDIDGDGILNENDNCPYVYNVDQRDTDRDGVGDHCDNCPLEHNPDQVDSDSDRIGDKCDNNQDIDEDGHQNNLDNCPYIPNANQADHDKDGKGDACDHDDDNDGIPDDKDNCRLAFNPDQLDSDGDGRGDICKDDFDQDNVLDIHDVCPENFEISETDFRRFQMVPLDPKGTSQIDPNWVVRHQGKELVQTVNCDPGIAVGYDEFSAVDFSGTFFINTDRDDDYAGFVFGYQSSSRFYTVMWKQITQTYWSHTPTRAQGYSGLSIKVVNSTTGPGEHLRNALWHTGDTAGQVRTLWHDPKNIGWKDFTAYRWHLTHRPKTGLIRVVMYEGKRIMADSGNIYDKTYAGGRLGLYVFSQEMVYFSDLKYECRDT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	32.9	Very low	31.9	Very low	252 Å²	252	171.7 Å²	171.7	100%	1.241	90%	0.895	S	S	*	*				0	174.6	0	-106.1	170.2	164.7	0	0	108.9
2	M	30.5	Very low	32	Very low	182 Å²	182	171.3 Å²	171.3	90%	0.897	89%	0.894	S	S	*	*			trans	-75.4	163.3	-163.7	-68.7	173.5	71	0	0	115.2
3	L	37.2	Very low	31.6	Very low	160 Å²	160	176.8 Å²	176.8	84%	0.838	90%	0.895	S	S	*	*			trans	-55.7	149.7	168.3	-61.4	80.5	0	0	0	112.8
4	C	28.2	Very low	31.2	Very low	135 Å²	135	171.7 Å²	171.7	91%	0.912	88%	0.884	S	S	*	*				-176.9	148.8	123.2	-97.9	0	0	0	0	108.2
5	G	31.1	Very low	30.7	Very low	62 Å²	62	169.2 Å²	169.2	64%	0.639	89%	0.886	S	S	*	*			cis	146.7	133.5	-1.6	0	0	0	0	0	110.4
6	I	34.9	Very low	30.4	Very low	166 Å²	166	169.5 Å²	169.5	85%	0.851	89%	0.889	S	S	*	*			trans	67.5	93.5	175.6	-46.9	169.8	0	0	0	115.2
7	F	31.7	Very low	30	Very low	216 Å²	216	163.7 Å²	163.7	95%	0.947	88%	0.879	S	S	*	*			trans	-156.1	42.6	145.9	-125.8	-76.1	0	0	0	111.6
8	F	34	Very low	29.8	Very low	197 Å²	197	160.2 Å²	160.2	86%	0.864	88%	0.876	S	S	*	*			trans	-110.7	156.5	176	-106.7	-97.5	0	0	0	110.2
9	L	33.5	Very low	29.6	Very low	160 Å²	160	163.8 Å²	163.8	84%	0.838	88%	0.876	S	S	*	*	S	Bend	trans	67.1	77.9	-172.1	-60.1	108.3	0	0	0	115.6
10	L	28.2	Very low	29.4	Very low	170 Å²	170	163.7 Å²	163.7	89%	0.89	87%	0.874	S	S	*	*				175.6	72.9	129.9	-96	164.1	0	0	0	111.8
11	M	28.8	Very low	29.2	Very low	189 Å²	189	160.8 Å²	160.8	93%	0.931	87%	0.873	S	S	*	*			trans	-151.4	94.4	156.7	-93.4	-54.9	-174.8	0	0	108.8
12	L	33	Very low	28.8	Very low	167 Å²	167	157.2 Å²	157.2	87%	0.874	85%	0.853	S	S	*	*			trans	-133.5	91.4	173.7	-92	170.4	0	0	0	108.1
13	W	26.5	Very low	28.6	Very low	242 Å²	242	153.3 Å²	153.3	92%	0.917	84%	0.844	S	S	*	*			trans	177.7	135.9	140.1	-93.8	-1.2	0	0	0	112.6
14	S	26.3	Very low	28.4	Very low	106 Å²	106	154.8 Å²	154.8	74%	0.741	84%	0.839	S	S	*	*			trans	45	109.9	145.8	-48	0	0	0	0	121
15	C	24.2	Very low	28.7	Very low	134 Å²	134	153.5 Å²	153.5	91%	0.905	82%	0.822	S	S	*	*				-157.5	147.4	121.3	-95.2	0	0	0	0	110.1
16	D	25.6	Very low	29.6	Very low	174 Å²	174	158.3 Å²	158.3	93%	0.93	83%	0.834	S	S	*	*			trans	-75.2	157.6	-179.3	-75	-74.4	0	0	0	114
17	G	24.2	Very low	30.5	Very low	71 Å²	71	156.2 Å²	156.2	73%	0.732	82%	0.824	S	S	*	*			trans	-158.3	93.6	170.3	0	0	0	0	0	109.5	R19	G17-R19 PolarHBondContact O-N 2.77Å
18	A	26.4	Very low	32.1	Very low	100 Å²	100	147.7 Å²	147.7	83%	0.826	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.7	132.6	-173.8	0	0	0	0	0	112.1
19	R	25.6	Very low	34	Very low	229 Å²	229	140.2 Å²	140.2	86%	0.864	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-85	131.2	161.5	-75.5	-170.7	170.5	-149.6	-2.8	108.7	G17	G17-R19 PolarHBondContact O-N 2.77Å
20	L	24.6	Very low	36.2	Very low	162 Å²	162	134 Å²	134	85%	0.848	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-66.4	156.6	167.2	-69.8	91	0	0	0	109.6	E22	L20-E22 PolarHBondContact O-N 2.85Å
21	A	25.8	Very low	38.9	Very low	103 Å²	103	127.6 Å²	127.6	85%	0.851	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63.4	132.5	173.2	0	0	0	0	0	110.8
22	E	25.2	Very low	41.6	Very low	176 Å²	176	118.6 Å²	118.6	82%	0.822	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-77.1	151.9	162.5	-72.4	169.5	130.8	0	0	108.9	L20	L20-E22 PolarHBondContact O-N 2.85Å
23	S	26.3	Very low	44.2	Very low	100 Å²	100	110.8 Å²	110.8	70%	0.699	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-68.7	150.7	-177.5	41.3	0	0	0	0	112.5	D25	S23-D25 PolarHBondContact O-N 3.43Å; S23-D25 VanDerWaalsContact O-N 3.15Å
24	R	32.2	Very low	46.9	Very low	192 Å²	192	106.5 Å²	106.5	73%	0.725	60%	0.599	S	S	*	*			trans	-61	112.8	163.5	-92.2	-177.8	159.7	177.2	-8.3	108.3	D76 D79	R24-D76 IonicContact NH2-OD1 2.95Å; R24-D76 PolarHBondContact NH2-OD1 3.08Å; R24-D79 IonicContact CZ-OD2 2.75Å; R24-D79 IonicContact NH1-OD2 3.93Å; R24-D79 IonicContact NH2-OD2 3.23Å; R24-D79 PolarHBondContact NH2-OD2 3.34Å
25	D	35.5	Very low	49.7	Very low	107 Å²	107	103.4 Å²	103.4	57%	0.572	57%	0.574	S	S	*	*			trans	-84.2	148.4	163.3	-81.7	-23	0	0	0	109.6	S23 N27	S23-D25 PolarHBondContact O-N 3.43Å; S23-D25 VanDerWaalsContact O-N 3.15Å; D25-N27 PolarHBondContact O-N 3.42Å; D25-N27 VanDerWaalsContact O-N 3.08Å
26	D	49.3	Very low	52.6	Low	164 Å²	164	97.2 Å²	97.2	88%	0.877	53%	0.532	S	S	*	.			trans	-70.2	98.2	-178.7	-72.6	-45.5	0	0	0	112.7	S28	D26-S28 PolarHBondContact O-N 2.96Å
27	N	53.2	Low	55.3	Low	121 Å²	121	98.2 Å²	98.2	65%	0.647	52%	0.523	S	S	*	.			trans	-92.4	89.4	168.9	-78.1	-40.2	0	0	0	110.8	D25 V29 Y30	D25-N27 PolarHBondContact O-N 3.42Å; D25-N27 VanDerWaalsContact O-N 3.08Å; N27-V29 VanDerWaalsContact C-N 3.33Å; N27-V29 PolarHBondContact O-N 3.22Å; N27-Y30 WeakPolarHBondContact O-CE2 3.39Å
28	S	65.6	Low	57.9	Low	38 Å²	38	95.3 Å²	95.3	27%	0.266	49%	0.491	S	S	.	.			trans	-82.6	-1.3	-177.8	61.3	0	0	0	0	115	D26 F218 T220	D26-S28 PolarHBondContact O-N 2.96Å; S28-F218 CarbonylContact C-O 3.6Å; S28-F218 WeakPolarHBondContact CA-O 3.22Å; S28-F218 WeakPolarHBondContact CB-O 3.27Å; S28-F218 PolarHBondContact O-N 3.31Å; S28-T220 WeakPolarHBondContact OG-CG2 3.47Å
29	V	73.6	Confident	59.6	Low	40 Å²	40	93 Å²	93	24%	0.242	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	132.8	-179.8	-176.6	0	0	0	0	110.1	N27 H215 F216 V217	N27-V29 VanDerWaalsContact C-N 3.33Å; N27-V29 PolarHBondContact O-N 3.22Å; V29-H215 HydrophobicContact CG1-CB 4.22Å; V29-F216 WeakPolarHBondContact CA-O 2.97Å; V29-V217 HydrophobicContact CG1-CG2 4.36Å; V29-V217 HydrophobicContact CG2-CG1 4.35Å; V29-V217 HydrophobicContact CG2-CG2 4.33Å
30	Y	79.9	Confident	61.2	Low	29 Å²	29	90.1 Å²	90.1	11%	0.114	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	102.2	-176.5	-69.9	-112	0	0	0	110.2	N27 L35 D76 L77 S80 H215 F216 F218	N27-Y30 WeakPolarHBondContact O-CE2 3.39Å; Y30-L35 HydrophobicContact CD1-CD1 3.79Å; Y30-L35 HydrophobicContact CG-CD1 4.26Å; Y30-D76 HydrophobicContact CE1-CB 4.11Å; Y30-D76 PolarHBondContact OH-O 3.45Å; Y30-D76 VanDerWaalsContact OH-O 3.05Å; Y30-L77 HydrophobicContact CD1-CB 4.12Å; Y30-L77 HydrophobicContact CD1-CD1 4.37Å; Y30-L77 HydrophobicContact CE1-CB 4.11Å; Y30-L77 HydrophobicContact CG-CD1 4.48Å; Y30-S80 PolarHBondContact OH-OG 2.75Å; Y30-S80 VanDerWaalsContact OH-OG 3.1Å; Y30-H215 WeakPolarHBondContact O-CA 3.42Å; Y30-F216 PolarHBondContact N-O 3.12Å; Y30-F216 PolarHBondContact O-N 3.2Å; Y30-F216 VanDerWaalsContact O-N 3.08Å; Y30-F218 AromaticContact CD2-CD2 3.71Å; Y30-F218 HydrophobicContact CD2-CD2 3.71Å; Y30-F218 AromaticContact CD2-CE2 3.85Å; Y30-F218 HydrophobicContact CD2-CE2 3.85Å; Y30-F218 AromaticContact CE2-CD2 3.72Å; Y30-F218 HydrophobicContact CE2-CD2 3.72Å; Y30-F218 HydrophobicContact CE2-CE2 4.06Å
31	D	84.8	Confident	62.7	Low	36 Å²	36	92.6 Å²	92.6	19%	0.193	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.5	172.7	-176.9	-51.9	0	0	0	110.9	F33 E34 L35 H215	D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 2.83Å; D31-F33 WeakPolarHBondContact OD1-CA 3.35Å; D31-F33 WeakPolarHBondContact OD1-CB 3.47Å; D31-F33 PolarHBondContact OD1-N 2.92Å; D31-E34 HydrophobicContact CB-CB 4.09Å; D31-E34 PolarHBondContact O-N 3.44Å; D31-E34 PolarHBondContact OD1-N 2.9Å; D31-L35 WeakPolarHBondContact O-CB 3.14Å; D31-L35 WeakPolarHBondContact O-CG 3.29Å; D31-L35 PolarHBondContact O-N 2.83Å; D31-H215 IonicContact OD2-CD2 2.76Å; D31-H215 PolarHBondContact OD2-CD2 3.45Å; D31-H215 VanDerWaalsContact OD2-CD2 3.31Å; D31-H215 IonicContact OD2-CE1 3.16Å; D31-H215 IonicContact OD2-NE2 3.06Å; D31-H215 PolarHBondContact OD2-NE2 2.98Å
32	L	85.9	Confident	64.2	Low	0 Å²	0	95.2 Å²	95.2	0%	0	46%	0.455	C	S	.	.	H	α-helix	trans	-66.2	-32.1	-174.9	-58.3	-173.6	0	0	0	113.3	A36 V69 L77 L104 L196 I198 V214 F216	L32-A36 WeakPolarHBondContact O-CB 3.49Å; L32-A36 PolarHBondContact O-N 2.92Å; L32-V69 HydrophobicContact CD2-CG2 4.32Å; L32-L77 HydrophobicContact CD2-CD1 4.23Å; L32-L104 HydrophobicContact CD1-CD2 4.39Å; L32-L196 HydrophobicContact CD1-CD2 4.48Å; L32-L196 HydrophobicContact CD2-CD2 3.92Å; L32-I198 HydrophobicContact CB-CD1 3.58Å; L32-I198 HydrophobicContact CB-CG1 4.06Å; L32-I198 HydrophobicContact CD1-CG1 4.33Å; L32-I198 WeakPolarHBondContact O-CD1 3.41Å; L32-V214 HydrophobicContact CD1-CG1 3.66Å; L32-V214 HydrophobicContact CG-CG1 4.21Å; L32-V214 PolarHBondContact N-O 2.9Å; L32-V214 VanDerWaalsContact N-O 3.08Å; L32-F216 HydrophobicContact CD1-CD2 4.24Å; L32-F216 HydrophobicContact CD1-CE2 3.89Å; L32-F216 HydrophobicContact CD2-CD2 3.84Å; L32-F216 HydrophobicContact CD2-CE2 4.02Å; L32-F216 HydrophobicContact CG-CD2 4.22Å; L32-F216 HydrophobicContact CG-CE2 4.34Å
33	F	86.6	Confident	66.3	Low	2 Å²	2	88.1 Å²	88.1	1%	0.009	42%	0.422	C	S	.	.	H	α-helix	trans	-74.4	-33.4	179.3	-79.9	-76.9	0	0	0	112	D31 R37 V38 Y58 I198 L211 V214	D31-F33 VanDerWaalsContact C-N 3.33Å; D31-F33 PolarHBondContact O-N 2.83Å; D31-F33 WeakPolarHBondContact OD1-CA 3.35Å; D31-F33 WeakPolarHBondContact OD1-CB 3.47Å; D31-F33 PolarHBondContact OD1-N 2.92Å; F33-R37 PolarHBondContact O-N 2.9Å; F33-V38 HydrophobicContact CD1-CB 3.99Å; F33-V38 HydrophobicContact CD1-CG1 4Å; F33-V38 HydrophobicContact CD1-CG2 3.86Å; F33-V38 WeakPolarHBondContact O-CB 3.42Å; F33-V38 WeakPolarHBondContact O-CG2 3.35Å; F33-V38 PolarHBondContact O-N 3.33Å; F33-Y58 HydrophobicContact CB-CD2 4.25Å; F33-Y58 HydrophobicContact CB-CE2 3.71Å; F33-Y58 HydrophobicContact CD1-CD1 4.21Å; F33-Y58 AromaticContact CD1-CD2 3.69Å; F33-Y58 HydrophobicContact CD1-CD2 3.69Å; F33-Y58 HydrophobicContact CD1-CE1 4.37Å; F33-Y58 AromaticContact CD1-CE2 3.92Å; F33-Y58 HydrophobicContact CD1-CE2 3.92Å; F33-Y58 AromaticContact CD1-CG 3.84Å; F33-Y58 HydrophobicContact CD1-CG 3.84Å; F33-Y58 AromaticContact CD2-CD2 3.88Å; F33-Y58 HydrophobicContact CD2-CD2 3.88Å; F33-Y58 HydrophobicContact CD2-CE2 4.15Å; F33-Y58 HydrophobicContact CE1-CD1 4.38Å; F33-Y58 AromaticContact CE1-CD2 3.94Å; F33-Y58 HydrophobicContact CE1-CD2 3.94Å; F33-Y58 AromaticContact CE1-CG 3.8Å; F33-Y58 HydrophobicContact CE1-CG 3.8Å; F33-Y58 HydrophobicContact CE2-CD2 4.09Å; F33-Y58 AromaticContact CG-CD2 3.67Å; F33-Y58 HydrophobicContact CG-CD2 3.67Å; F33-Y58 AromaticContact CG-CE2 3.67Å; F33-Y58 HydrophobicContact CG-CE2 3.67Å; F33-Y58 HydrophobicContact CG-CG 4.31Å; F33-Y58 HydrophobicContact CZ-CD2 4.13Å; F33-Y58 HydrophobicContact CZ-CG 4.2Å; F33-I198 HydrophobicContact CD1-CD1 4.3Å; F33-I198 HydrophobicContact CE1-CD1 4.44Å; F33-I198 HydrophobicContact CE1-CG2 4.37Å; F33-I198 HydrophobicContact CE2-CG2 4.09Å; F33-I198 HydrophobicContact CG-CD1 4.39Å; F33-I198 HydrophobicContact CZ-CG2 3.81Å; F33-L211 HydrophobicContact CE2-CB 3.93Å; F33-L211 HydrophobicContact CZ-CB 3.99Å; F33-L211 HydrophobicContact CZ-CD1 4.27Å; F33-V214 HydrophobicContact CD2-CB 4.34Å; F33-V214 HydrophobicContact CD2-CG2 4.19Å; F33-V214 HydrophobicContact CE2-CB 4.28Å; F33-V214 HydrophobicContact CE2-CG2 3.69Å
34	E	84.3	Confident	68.8	Low	152 Å²	152	83.9 Å²	83.9	71%	0.71	39%	0.394	S	S	*	.	H	α-helix	trans	-71.1	-47.1	171	-176.9	157.3	-153.9	0	0	111.6	D31 A36 R37	D31-E34 HydrophobicContact CB-CB 4.09Å; D31-E34 PolarHBondContact O-N 3.44Å; D31-E34 PolarHBondContact OD1-N 2.9Å; E34-A36 PolarHBondContact O-N 2.03Å; E34-R37 WeakPolarHBondContact O-CA 3.44Å; E34-R37 PolarHBondContact O-N 3.12Å
35	L	84.9	Confident	71.4	Confident	42 Å²	42	75.3 Å²	75.3	22%	0.22	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-42.3	179.1	-67.4	171.1	0	0	0	112.3	Y30 D31 R37 V69 P70	Y30-L35 HydrophobicContact CD1-CD1 3.79Å; Y30-L35 HydrophobicContact CG-CD1 4.26Å; D31-L35 WeakPolarHBondContact O-CB 3.14Å; D31-L35 WeakPolarHBondContact O-CG 3.29Å; D31-L35 PolarHBondContact O-N 2.83Å; L35-R37 PolarHBondContact O-N 2.9Å; L35-V69 HydrophobicContact CB-CG1 4.18Å; L35-P70 WeakPolarHBondContact O-CD 3.05Å; L35-P70 WeakPolarHBondContact O-CG 3.08Å
36	A	84.6	Confident	73.9	Confident	3 Å²	3	72.1 Å²	72.1	3%	0.025	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	3.5	171.2	0	0	0	0	0	113.7	L32 E34 V38 P67 V69 I198	L32-A36 WeakPolarHBondContact O-CB 3.49Å; L32-A36 PolarHBondContact O-N 2.92Å; E34-A36 PolarHBondContact O-N 2.03Å; A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG2 3.87Å; A36-V38 PolarHBondContact O-N 2.93Å; A36-P67 HydrophobicContact CB-CG 4.36Å; A36-P67 WeakPolarHBondContact O-CG 3.31Å; A36-V69 HydrophobicContact CB-CG2 4.4Å; A36-I198 HydrophobicContact CB-CD1 4.2Å
37	R	82.9	Confident	75.6	Confident	196 Å²	196	67.5 Å²	67.5	74%	0.74	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	44.2	174.3	-58.1	177.4	-179.3	177.5	-0.5	112.8	F33 E34 L35 S39 N43	F33-R37 PolarHBondContact O-N 2.9Å; E34-R37 WeakPolarHBondContact O-CA 3.44Å; E34-R37 PolarHBondContact O-N 3.12Å; L35-R37 PolarHBondContact O-N 2.9Å; R37-S39 PolarHBondContact O-N 2.86Å; R37-N43 PolarHBondContact O-ND2 2.86Å
38	V	78.5	Confident	77.2	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.055	31%	0.309	C	S	.	.			trans	-73.5	93.7	-169.6	-179.4	0	0	0	0	111.7	F33 A36 N43 V45 Y58 I66 P67	F33-V38 HydrophobicContact CD1-CB 3.99Å; F33-V38 HydrophobicContact CD1-CG1 4Å; F33-V38 HydrophobicContact CD1-CG2 3.86Å; F33-V38 WeakPolarHBondContact O-CB 3.42Å; F33-V38 WeakPolarHBondContact O-CG2 3.35Å; F33-V38 PolarHBondContact O-N 3.33Å; A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG2 3.87Å; A36-V38 PolarHBondContact O-N 2.93Å; V38-N43 HydrophobicContact CG1-CB 3.97Å; V38-V45 HydrophobicContact CG1-CG2 3.44Å; V38-V45 VanDerWaalsContact CG1-CG2 3.44Å; V38-Y58 HydrophobicContact CB-CE1 4.41Å; V38-Y58 HydrophobicContact CG1-CD1 4.11Å; V38-Y58 HydrophobicContact CG1-CE1 3.88Å; V38-I66 HydrophobicContact CG2-CG2 4.38Å; V38-P67 HydrophobicContact CG2-CG 4.44Å
39	S	62.8	Low	78	Confident	51 Å²	51	71.1 Å²	71.1	36%	0.357	33%	0.334	S	S	.	.			trans	-71	149.8	-174	86.2	0	0	0	0	113.3	R37 R41 N43	R37-S39 PolarHBondContact O-N 2.86Å; S39-R41 PolarHBondContact O-N 2.9Å; S39-N43 PolarHBondContact OG-OD1 3.36Å
40	K	58.1	Low	78.3	Confident	170 Å²	170	69.8 Å²	69.8	74%	0.739	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	2.4	-169.8	-53.9	-163.6	174.2	-173.6	0	116.5	L47	K40-L47 HydrophobicContact CB-CD1 3.9Å; K40-L47 HydrophobicContact CD-CD1 3.69Å; K40-L47 HydrophobicContact CG-CD1 3.71Å
41	R	56.4	Low	78.1	Confident	214 Å²	214	71.5 Å²	71.5	81%	0.808	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.4	-17.1	-173.8	-75.2	-167.2	172.9	177	-2	118.5	S39	S39-R41 PolarHBondContact O-N 2.9Å
42	H	57.8	Low	77.7	Confident	157 Å²	157	71.7 Å²	71.7	73%	0.727	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-1.8	-165.4	-69.5	-62.7	0	0	0	117.1
43	N	68.8	Low	77.1	Confident	28 Å²	28	75.9 Å²	75.9	15%	0.15	37%	0.373	C	S	.	.	S	Bend	trans	-107.3	47.1	-168	-60.7	46	0	0	0	112.8	R37 V38 S39 V45 L65 I66	R37-N43 PolarHBondContact O-ND2 2.86Å; V38-N43 HydrophobicContact CG1-CB 3.97Å; S39-N43 PolarHBondContact OG-OD1 3.36Å; N43-V45 PolarHBondContact O-N 2.97Å; N43-L65 CarbonylContact C-O 3.38Å; N43-L65 VanDerWaalsContact CA-O 3.32Å; N43-L65 WeakPolarHBondContact CA-O 3.47Å; N43-I66 WeakPolarHBondContact O-CG1 3.34Å
44	G	79	Confident	76.5	Confident	10 Å²	10	85.2 Å²	85.2	10%	0.103	41%	0.41	C	S	.	.	S	Bend	trans	71.2	-1.6	174.6	0	0	0	0	0	117.6	L61 N62 L65	G44-L61 WeakPolarHBondContact O-CA 3.04Å; G44-L61 WeakPolarHBondContact O-CB 3Å; G44-L61 PolarHBondContact O-N 2.79Å; G44-N62 WeakPolarHBondContact CA-O 3.21Å; G44-N62 PolarHBondContact O-N 3.16Å; G44-L65 VanDerWaalsContact CA-CB 3.5Å; G44-L65 PolarHBondContact N-O 3.05Å
45	V	86.8	Confident	76.2	Confident	12 Å²	12	79.3 Å²	79.3	7%	0.073	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.2	-176.3	-64.3	0	0	0	0	111.9	V38 N43 Y58 K59 V60 I66	V38-V45 HydrophobicContact CG1-CG2 3.44Å; V38-V45 VanDerWaalsContact CG1-CG2 3.44Å; N43-V45 PolarHBondContact O-N 2.97Å; V45-Y58 HydrophobicContact CB-CD1 4.31Å; V45-Y58 HydrophobicContact CG2-CD1 3.71Å; V45-Y58 HydrophobicContact CG2-CE1 4.44Å; V45-K59 CarbonylContact C-O 3.57Å; V45-K59 WeakPolarHBondContact CA-O 3.37Å; V45-K59 WeakPolarHBondContact CB-O 3.35Å; V45-V60 HydrophobicContact CG1-CG2 4.48Å; V45-I66 HydrophobicContact CG1-CD1 3.71Å; V45-I66 HydrophobicContact CG1-CG1 3.93Å
46	S	87.4	Confident	76	Confident	41 Å²	41	80.2 Å²	80.2	29%	0.287	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.2	163.2	59.6	0	0	0	0	111.8	K59	S46-K59 PolarHBondContact N-O 3.32Å; S46-K59 PolarHBondContact O-N 2.91Å
47	L	84.8	Confident	76.1	Confident	67 Å²	67	80 Å²	80	35%	0.351	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.4	174	-75.1	171.1	0	0	0	110.6	K40 P56 A57 Y58	K40-L47 HydrophobicContact CB-CD1 3.9Å; K40-L47 HydrophobicContact CD-CD1 3.69Å; K40-L47 HydrophobicContact CG-CD1 3.71Å; L47-P56 HydrophobicContact CD2-CB 3.62Å; L47-A57 WeakPolarHBondContact CA-O 3.42Å; L47-Y58 HydrophobicContact CD2-CD1 3.89Å; L47-Y58 HydrophobicContact CD2-CE1 3.72Å; L47-Y58 HydrophobicContact CD2-CG 4.48Å
48	V	87	Confident	76.5	Confident	55 Å²	55	72 Å²	72	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	170.8	175.3	-64.7	0	0	0	0	109.8	A57 K59 V210	V48-A57 HydrophobicContact CG2-CB 4.06Å; V48-A57 PolarHBondContact N-O 3.03Å; V48-K59 HydrophobicContact CG1-CB 3.82Å; V48-K59 HydrophobicContact CG2-CB 4.2Å; V48-V210 HydrophobicContact CG2-CB 4.45Å; V48-V210 HydrophobicContact CG2-CG1 3.45Å; V48-V210 VanDerWaalsContact CG2-CG1 3.45Å; V48-V210 HydrophobicContact CG2-CG2 4.06Å
49	K	82.8	Confident	77	Confident	179 Å²	179	76.1 Å²	76.1	78%	0.778	38%	0.379	S	S	*	.			trans	-73.9	127.3	170.1	-169.9	-179.7	178.3	-173.4	0	109.3
50	G	80.1	Confident	78.3	Confident	13 Å²	13	74.4 Å²	74.4	13%	0.134	37%	0.367	C	S	.	.			trans	-78	-171.6	179.9	0	0	0	0	0	115.2
51	S	76.8	Confident	79.7	Confident	65 Å²	65	71.6 Å²	71.6	46%	0.455	36%	0.359	S	S	.	.	S	Bend	trans	-73.5	-54	159.7	-164.5	0	0	0	0	109
52	D	76.4	Confident	81.1	Confident	39 Å²	39	64.4 Å²	64.4	21%	0.209	34%	0.337	C	S	.	.	S	Bend	trans	-72.8	130.9	168.6	164	9.3	0	0	0	109.7	Y54 S55 Q212 N213	D52-Y54 PolarHBondContact OD1-N 2.84Å; D52-S55 PolarHBondContact OD1-N 3.48Å; D52-S55 WeakPolarHBondContact OD2-CB 3.44Å; D52-S55 PolarHBondContact OD2-OG 2.03Å; D52-Q212 PolarHBondContact O-NE2 3.11Å; D52-N213 PolarHBondContact OD2-ND2 3.24Å
53	P	72.8	Confident	82.5	Confident	89 Å²	89	57 Å²	57	58%	0.578	30%	0.303	S	S	*	.	S	Bend	trans	-87.6	-9	-179.8	36	-36.3	0	0	0	115
54	Y	74.4	Confident	83.3	Confident	198 Å²	198	58.7 Å²	58.7	78%	0.776	31%	0.312	S	S	*	.	S	Bend	trans	-98.6	-26.9	-175.3	-60.8	-66	0	0	0	113.3	D52	D52-Y54 PolarHBondContact OD1-N 2.84Å
55	S	76.8	Confident	83.8	Confident	28 Å²	28	63.2 Å²	63.2	20%	0.196	33%	0.333	C	S	.	.	S	Bend	trans	-98.7	159.5	176	63.4	0	0	0	0	113.9	D52 Q212 N213	D52-S55 PolarHBondContact OD1-N 3.48Å; D52-S55 WeakPolarHBondContact OD2-CB 3.44Å; D52-S55 PolarHBondContact OD2-OG 2.03Å; S55-Q212 PolarHBondContact O-NE2 3.44Å; S55-Q212 PolarHBondContact OG-NE2 2.91Å; S55-N213 WeakPolarHBondContact CB-OD1 3.28Å; S55-N213 PolarHBondContact OG-ND2 2.03Å; S55-N213 PolarHBondContact OG-OD1 3.43Å
56	P	81.6	Confident	83.8	Confident	60 Å²	60	62.8 Å²	62.8	39%	0.39	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.5	130.8	173.3	30	-33.2	0	0	0	112.6	L47 Y58	L47-P56 HydrophobicContact CD2-CB 3.62Å; P56-Y58 HydrophobicContact CB-CE2 3.82Å; P56-Y58 HydrophobicContact CG-CE2 3.77Å
57	A	87.1	Confident	83.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.1	168.5	0	0	0	0	0	111.3	L47 V48 W152 V210 Q212	L47-A57 WeakPolarHBondContact CA-O 3.42Å; V48-A57 HydrophobicContact CG2-CB 4.06Å; V48-A57 PolarHBondContact N-O 3.03Å; A57-W152 HydrophobicContact CB-CH2 4.24Å; A57-V210 HydrophobicContact CB-CG1 3.9Å; A57-Q212 HydrophobicContact CB-CB 4Å; A57-Q212 HydrophobicContact CB-CG 4.16Å
58	Y	90.1	Very high	84.1	Confident	26 Å²	26	61.4 Å²	61.4	10%	0.102	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110.2	-172.9	-62.6	-88.1	0	0	0	110.5	F33 V38 V45 L47 P56 V210 L211	F33-Y58 HydrophobicContact CB-CD2 4.25Å; F33-Y58 HydrophobicContact CB-CE2 3.71Å; F33-Y58 HydrophobicContact CD1-CD1 4.21Å; F33-Y58 AromaticContact CD1-CD2 3.69Å; F33-Y58 HydrophobicContact CD1-CD2 3.69Å; F33-Y58 HydrophobicContact CD1-CE1 4.37Å; F33-Y58 AromaticContact CD1-CE2 3.92Å; F33-Y58 HydrophobicContact CD1-CE2 3.92Å; F33-Y58 AromaticContact CD1-CG 3.84Å; F33-Y58 HydrophobicContact CD1-CG 3.84Å; F33-Y58 AromaticContact CD2-CD2 3.88Å; F33-Y58 HydrophobicContact CD2-CD2 3.88Å; F33-Y58 HydrophobicContact CD2-CE2 4.15Å; F33-Y58 HydrophobicContact CE1-CD1 4.38Å; F33-Y58 AromaticContact CE1-CD2 3.94Å; F33-Y58 HydrophobicContact CE1-CD2 3.94Å; F33-Y58 AromaticContact CE1-CG 3.8Å; F33-Y58 HydrophobicContact CE1-CG 3.8Å; F33-Y58 HydrophobicContact CE2-CD2 4.09Å; F33-Y58 AromaticContact CG-CD2 3.67Å; F33-Y58 HydrophobicContact CG-CD2 3.67Å; F33-Y58 AromaticContact CG-CE2 3.67Å; F33-Y58 HydrophobicContact CG-CE2 3.67Å; F33-Y58 HydrophobicContact CG-CG 4.31Å; F33-Y58 HydrophobicContact CZ-CD2 4.13Å; F33-Y58 HydrophobicContact CZ-CG 4.2Å; V38-Y58 HydrophobicContact CB-CE1 4.41Å; V38-Y58 HydrophobicContact CG1-CD1 4.11Å; V38-Y58 HydrophobicContact CG1-CE1 3.88Å; V45-Y58 HydrophobicContact CB-CD1 4.31Å; V45-Y58 HydrophobicContact CG2-CD1 3.71Å; V45-Y58 HydrophobicContact CG2-CE1 4.44Å; L47-Y58 HydrophobicContact CD2-CD1 3.89Å; L47-Y58 HydrophobicContact CD2-CE1 3.72Å; L47-Y58 HydrophobicContact CD2-CG 4.48Å; P56-Y58 HydrophobicContact CB-CE2 3.82Å; P56-Y58 HydrophobicContact CG-CE2 3.77Å; Y58-V210 WeakPolarHBondContact O-CA 3.34Å; Y58-L211 PolarHBondContact N-O 3.19Å; Y58-L211 PolarHBondContact O-N 3.09Å
59	K	89.9	Confident	84.3	Confident	97 Å²	97	58.9 Å²	58.9	42%	0.422	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.4	168.3	-177.5	179	177.8	-179.8	0	108.9	V45 S46 V48 L61 V210	V45-K59 CarbonylContact C-O 3.57Å; V45-K59 WeakPolarHBondContact CA-O 3.37Å; V45-K59 WeakPolarHBondContact CB-O 3.35Å; S46-K59 PolarHBondContact N-O 3.32Å; S46-K59 PolarHBondContact O-N 2.91Å; V48-K59 HydrophobicContact CG1-CB 3.82Å; V48-K59 HydrophobicContact CG2-CB 4.2Å; K59-L61 HydrophobicContact CD-CD2 4.11Å; K59-L61 HydrophobicContact CG-CD2 4.19Å; K59-L61 PolarHBondContact O-N 3.49Å; K59-V210 HydrophobicContact CB-CG2 4.16Å; K59-V210 HydrophobicContact CG-CG2 4.32Å
60	V	89.9	Confident	84.6	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.4	175	-177.5	0	0	0	0	109.2	V45 A63 I66 F207 G209	V45-V60 HydrophobicContact CG1-CG2 4.48Å; V60-A63 HydrophobicContact CG1-CB 3.99Å; V60-I66 HydrophobicContact CG1-CD1 4.42Å; V60-I66 HydrophobicContact CG2-CD1 4.41Å; V60-F207 HydrophobicContact CB-CD1 4.49Å; V60-F207 WeakPolarHBondContact CG1-O 3.32Å; V60-F207 HydrophobicContact CG2-CD1 3.96Å; V60-G209 PolarHBondContact N-O 2.97Å
61	L	87.6	Confident	84.8	Confident	111 Å²	111	55.9 Å²	55.9	58%	0.581	30%	0.301	S	S	*	.	S	Bend	trans	-110.7	-41.8	175.9	-55.1	-179.9	0	0	0	110.9	G44 K59	G44-L61 WeakPolarHBondContact O-CA 3.04Å; G44-L61 WeakPolarHBondContact O-CB 3Å; G44-L61 PolarHBondContact O-N 2.79Å; K59-L61 HydrophobicContact CD-CD2 4.11Å; K59-L61 HydrophobicContact CG-CD2 4.19Å; K59-L61 PolarHBondContact O-N 3.49Å
62	N	86.6	Confident	85.1	Confident	63 Å²	63	55.6 Å²	55.6	34%	0.337	30%	0.302	S	S	.	.			trans	-151.6	111.5	166.6	-178.8	6.1	0	0	0	109.7	G44 D64 L65	G44-N62 WeakPolarHBondContact CA-O 3.21Å; G44-N62 PolarHBondContact O-N 3.16Å; N62-D64 VanDerWaalsContact C-N 3.27Å; N62-D64 PolarHBondContact O-N 2.96Å; N62-D64 PolarHBondContact OD1-N 3.02Å; N62-D64 VanDerWaalsContact OD1-N 3.15Å; N62-D64 PolarHBondContact OD1-OD2 2.63Å; N62-L65 HydrophobicContact CB-CD1 4.27Å; N62-L65 HydrophobicContact CB-CG 4.44Å; N62-L65 PolarHBondContact O-N 2.71Å
63	A	86.6	Confident	85.4	Confident	2 Å²	2	55 Å²	55	2%	0.017	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22.8	-177	0	0	0	0	0	114.1	V60 L65 I66 G199 K200	V60-A63 HydrophobicContact CG1-CB 3.99Å; A63-L65 PolarHBondContact O-N 3.12Å; A63-I66 HydrophobicContact CB-CD1 4.32Å; A63-I66 WeakPolarHBondContact O-CB 3.23Å; A63-I66 PolarHBondContact O-N 2.82Å; A63-I66 VanDerWaalsContact O-N 3.1Å; A63-G199 WeakPolarHBondContact CB-O 3.33Å; A63-K200 HydrophobicContact CB-CB 3.77Å
64	D	86	Confident	86.2	Confident	62 Å²	62	50.9 Å²	50.9	33%	0.332	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-65.3	-21	175.2	-65.6	-60.3	0	0	0	113.3	N62 K200 K206	N62-D64 VanDerWaalsContact C-N 3.27Å; N62-D64 PolarHBondContact O-N 2.96Å; N62-D64 PolarHBondContact OD1-N 3.02Å; N62-D64 VanDerWaalsContact OD1-N 3.15Å; N62-D64 PolarHBondContact OD1-OD2 2.63Å; D64-K200 IonicContact OD1-NZ 2.72Å; D64-K200 PolarHBondContact OD1-NZ 3.3Å; D64-K206 IonicContact OD1-NZ 2.96Å; D64-K206 IonicContact OD2-NZ 2.78Å; D64-K206 PolarHBondContact OD2-NZ 3.36Å
65	L	87.8	Confident	86.8	Confident	106 Å²	106	46.4 Å²	46.4	56%	0.555	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-93.9	1.5	177.9	-61.2	177.7	0	0	0	112.7	N43 G44 N62 A63	N43-L65 CarbonylContact C-O 3.38Å; N43-L65 VanDerWaalsContact CA-O 3.32Å; N43-L65 WeakPolarHBondContact CA-O 3.47Å; G44-L65 VanDerWaalsContact CA-CB 3.5Å; G44-L65 PolarHBondContact N-O 3.05Å; N62-L65 HydrophobicContact CB-CD1 4.27Å; N62-L65 HydrophobicContact CB-CG 4.44Å; N62-L65 PolarHBondContact O-N 2.71Å; A63-L65 PolarHBondContact O-N 3.12Å
66	I	88.6	Confident	87	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-81	121.7	168.1	-57.3	174.6	0	0	0	107.1	V38 N43 V45 V60 A63 R197 I198	V38-I66 HydrophobicContact CG2-CG2 4.38Å; N43-I66 WeakPolarHBondContact O-CG1 3.34Å; V45-I66 HydrophobicContact CG1-CD1 3.71Å; V45-I66 HydrophobicContact CG1-CG1 3.93Å; V60-I66 HydrophobicContact CG1-CD1 4.42Å; V60-I66 HydrophobicContact CG2-CD1 4.41Å; A63-I66 HydrophobicContact CB-CD1 4.32Å; A63-I66 WeakPolarHBondContact O-CB 3.23Å; A63-I66 PolarHBondContact O-N 2.82Å; A63-I66 VanDerWaalsContact O-N 3.1Å; I66-R197 PolarHBondContact O-NH1 2.98Å; I66-I198 HydrophobicContact CG2-CB 4.45Å
67	P	88.3	Confident	87.1	Confident	39 Å²	39	45.2 Å²	45.2	25%	0.253	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-62.1	151.7	175.8	28.6	-36.7	0	0	0	111	A36 V38	A36-P67 HydrophobicContact CB-CG 4.36Å; A36-P67 WeakPolarHBondContact O-CG 3.31Å; V38-P67 HydrophobicContact CG2-CG 4.44Å
68	P	89.6	Confident	87.1	Confident	41 Å²	41	45.3 Å²	45.3	27%	0.266	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.7	161.4	168.4	32.2	-34.8	0	0	0	110.6	R195 L196	P68-R195 HydrophobicContact CB-CB 4.24Å; P68-R195 HydrophobicContact CB-CG 4.41Å; P68-L196 VanDerWaalsContact CA-O 3.32Å; P68-L196 WeakPolarHBondContact CA-O 3.29Å
69	V	90.2	Very high	86.6	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.9	134	165.8	178.3	0	0	0	0	108.5	L32 L35 A36 F74 L196	L32-V69 HydrophobicContact CD2-CG2 4.32Å; L35-V69 HydrophobicContact CB-CG1 4.18Å; A36-V69 HydrophobicContact CB-CG2 4.4Å; V69-F74 HydrophobicContact CG1-CB 4.39Å; V69-L196 HydrophobicContact CB-CB 4.19Å; V69-L196 HydrophobicContact CG2-CB 4.19Å; V69-L196 HydrophobicContact CG2-CD2 3.98Å; V69-L196 HydrophobicContact CG2-CG 3.97Å; V69-L196 PolarHBondContact N-O 3.35Å
70	P	89.2	Confident	86.1	Confident	39 Å²	39	41.7 Å²	41.7	25%	0.253	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-62.1	138.5	-178.8	-23.5	33.9	0	0	0	112.5	L35 A72 S73 F74	L35-P70 WeakPolarHBondContact O-CD 3.05Å; L35-P70 WeakPolarHBondContact O-CG 3.08Å; P70-A72 PolarHBondContact O-N 2.04Å; P70-S73 WeakPolarHBondContact O-CA 3.48Å; P70-S73 PolarHBondContact O-N 2.79Å; P70-F74 PolarHBondContact O-N 3.1Å
71	D	85.2	Confident	85.7	Confident	91 Å²	91	41 Å²	41	49%	0.487	23%	0.229	S	C	.	.	H	α-helix	trans	-53.1	-35.6	-170.7	-33.6	-23.3	0	0	0	113.5	F74 R75	D71-F74 PolarHBondContact O-N 2.9Å; D71-R75 WeakPolarHBondContact O-CG 3.46Å; D71-R75 PolarHBondContact O-N 2.87Å
72	A	82	Confident	85.3	Confident	59 Å²	59	39.1 Å²	39.1	49%	0.488	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-50.3	174.4	0	0	0	0	0	112.3	P70 F74 R75 D76	P70-A72 PolarHBondContact O-N 2.04Å; A72-F74 VanDerWaalsContact C-N 3.25Å; A72-F74 PolarHBondContact O-N 2.89Å; A72-R75 WeakPolarHBondContact O-CB 3.42Å; A72-R75 PolarHBondContact O-N 2.89Å; A72-R75 VanDerWaalsContact O-N 3.17Å; A72-D76 PolarHBondContact O-N 3.1Å
73	S	84.3	Confident	84.6	Confident	27 Å²	27	38.9 Å²	38.9	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-25.1	176.7	-56.5	0	0	0	0	112.9	P70 L77	P70-S73 WeakPolarHBondContact O-CA 3.48Å; P70-S73 PolarHBondContact O-N 2.79Å; S73-L77 WeakPolarHBondContact O-CB 3.44Å; S73-L77 PolarHBondContact O-N 3.32Å; S73-L77 VanDerWaalsContact O-N 3.15Å
74	F	89.6	Confident	83.9	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-40.1	170.6	-174.6	-137.4	0	0	0	111.4	V69 P70 D71 A72 L77 L78 V106 A191 L196	V69-F74 HydrophobicContact CG1-CB 4.39Å; P70-F74 PolarHBondContact O-N 3.1Å; D71-F74 PolarHBondContact O-N 2.9Å; A72-F74 VanDerWaalsContact C-N 3.25Å; A72-F74 PolarHBondContact O-N 2.89Å; F74-L77 HydrophobicContact CD2-CD2 4.45Å; F74-L77 PolarHBondContact O-N 3.31Å; F74-L78 HydrophobicContact CD1-CD1 4.33Å; F74-L78 HydrophobicContact CD2-CD1 4.44Å; F74-L78 HydrophobicContact CD2-CG 4.23Å; F74-L78 HydrophobicContact CE1-CD1 4.01Å; F74-L78 HydrophobicContact CE2-CD1 4.13Å; F74-L78 HydrophobicContact CE2-CD2 3.95Å; F74-L78 HydrophobicContact CE2-CG 3.94Å; F74-L78 HydrophobicContact CZ-CD1 3.9Å; F74-L78 HydrophobicContact CZ-CD2 4.13Å; F74-L78 HydrophobicContact CZ-CG 4.18Å; F74-L78 WeakPolarHBondContact O-CG 3.31Å; F74-L78 PolarHBondContact O-N 2.84Å; F74-V106 HydrophobicContact CE1-CG1 4.44Å; F74-V106 HydrophobicContact CE2-CG2 4.28Å; F74-V106 HydrophobicContact CZ-CG1 3.82Å; F74-V106 HydrophobicContact CZ-CG2 4.06Å; F74-A191 HydrophobicContact CD1-CB 3.97Å; F74-A191 HydrophobicContact CE1-CB 4.39Å; F74-L196 HydrophobicContact CD2-CB 3.83Å; F74-L196 HydrophobicContact CD2-CD2 4.25Å; F74-L196 HydrophobicContact CE2-CB 3.86Å; F74-L196 HydrophobicContact CE2-CD2 4.41Å; F74-L196 HydrophobicContact CG-CB 4.36Å; F74-L196 HydrophobicContact CZ-CB 4.39Å
75	R	85.6	Confident	83.5	Confident	104 Å²	104	43.7 Å²	43.7	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-45.3	169.2	-74	-172.6	-161.4	98.7	-2.8	112.1	D71 A72 L77 L78 D79 A191 D192	D71-R75 WeakPolarHBondContact O-CG 3.46Å; D71-R75 PolarHBondContact O-N 2.87Å; A72-R75 WeakPolarHBondContact O-CB 3.42Å; A72-R75 PolarHBondContact O-N 2.89Å; A72-R75 VanDerWaalsContact O-N 3.17Å; R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.43Å; R75-L78 PolarHBondContact O-N 2.66Å; R75-D79 WeakPolarHBondContact O-CB 3.47Å; R75-D79 PolarHBondContact O-N 2.63Å; R75-A191 HydrophobicContact CB-CB 4.4Å; R75-A191 HydrophobicContact CG-CB 3.27Å; R75-D192 IonicContact CZ-OD1 3.19Å; R75-D192 IonicContact NE-OD1 2.81Å; R75-D192 PolarHBondContact NE-OD1 3.48Å; R75-D192 IonicContact NH2-OD1 2.78Å; R75-D192 PolarHBondContact NH2-OD1 3.29Å
76	D	82.5	Confident	83.3	Confident	61 Å²	61	38.8 Å²	38.8	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-31.7	177.9	-70.6	-48	0	0	0	112.6	R24 Y30 A72 S80	R24-D76 IonicContact NH2-OD1 2.95Å; R24-D76 PolarHBondContact NH2-OD1 3.08Å; Y30-D76 HydrophobicContact CE1-CB 4.11Å; Y30-D76 PolarHBondContact OH-O 3.45Å; Y30-D76 VanDerWaalsContact OH-O 3.05Å; A72-D76 PolarHBondContact O-N 3.1Å; D76-S80 PolarHBondContact O-N 2.97Å; D76-S80 PolarHBondContact O-OG 2.75Å
77	L	82.8	Confident	83.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-74.5	-39.7	174.5	-179.2	150.8	0	0	0	112	Y30 L32 S73 F74 R75 S80 I81 L196 F216 F218	Y30-L77 HydrophobicContact CD1-CB 4.12Å; Y30-L77 HydrophobicContact CD1-CD1 4.37Å; Y30-L77 HydrophobicContact CE1-CB 4.11Å; Y30-L77 HydrophobicContact CG-CD1 4.48Å; L32-L77 HydrophobicContact CD2-CD1 4.23Å; S73-L77 WeakPolarHBondContact O-CB 3.44Å; S73-L77 PolarHBondContact O-N 3.32Å; S73-L77 VanDerWaalsContact O-N 3.15Å; F74-L77 HydrophobicContact CD2-CD2 4.45Å; F74-L77 PolarHBondContact O-N 3.31Å; R75-L77 VanDerWaalsContact C-N 3.27Å; R75-L77 PolarHBondContact O-N 3.43Å; L77-S80 WeakPolarHBondContact O-CB 3.31Å; L77-S80 PolarHBondContact O-N 3.34Å; L77-I81 HydrophobicContact CD2-CD1 3.67Å; L77-I81 HydrophobicContact CD2-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CG1 3.09Å; L77-I81 PolarHBondContact O-N 2.03Å; L77-L196 HydrophobicContact CD1-CD2 4.38Å; L77-F216 HydrophobicContact CD1-CB 4.24Å; L77-F216 HydrophobicContact CD1-CD1 4.48Å; L77-F216 HydrophobicContact CD1-CD2 3.8Å; L77-F216 HydrophobicContact CD1-CE2 4.19Å; L77-F216 HydrophobicContact CD1-CG 3.96Å; L77-F218 HydrophobicContact CG-CE2 4.29Å; L77-F218 HydrophobicContact CG-CZ 4.3Å
78	L	86.1	Confident	82.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-41.9	173.6	-66.6	172.5	0	0	0	111.4	F74 R75 S80 I81 Q82 L186 L190 A191	F74-L78 HydrophobicContact CD1-CD1 4.33Å; F74-L78 HydrophobicContact CD2-CD1 4.44Å; F74-L78 HydrophobicContact CD2-CG 4.23Å; F74-L78 HydrophobicContact CE1-CD1 4.01Å; F74-L78 HydrophobicContact CE2-CD1 4.13Å; F74-L78 HydrophobicContact CE2-CD2 3.95Å; F74-L78 HydrophobicContact CE2-CG 3.94Å; F74-L78 HydrophobicContact CZ-CD1 3.9Å; F74-L78 HydrophobicContact CZ-CD2 4.13Å; F74-L78 HydrophobicContact CZ-CG 4.18Å; F74-L78 WeakPolarHBondContact O-CG 3.31Å; F74-L78 PolarHBondContact O-N 2.84Å; R75-L78 PolarHBondContact O-N 2.66Å; L78-S80 PolarHBondContact O-N 2.89Å; L78-I81 PolarHBondContact O-N 2.87Å; L78-I81 VanDerWaalsContact O-N 3.15Å; L78-Q82 VanDerWaalsContact O-CG 3.28Å; L78-Q82 WeakPolarHBondContact O-CG 3.2Å; L78-Q82 PolarHBondContact O-N 2.04Å; L78-L186 HydrophobicContact CD2-CB 3.89Å; L78-L186 HydrophobicContact CD2-CD2 4.47Å; L78-L190 HydrophobicContact CD1-CB 4.37Å; L78-A191 HydrophobicContact CD1-CB 3.95Å
79	D	80.8	Confident	82.8	Confident	28 Å²	28	36.2 Å²	36.2	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-51.4	-40.4	171.3	-92.4	23.1	0	0	0	111	R24 R75 A83 R188	R24-D79 IonicContact CZ-OD2 2.75Å; R24-D79 IonicContact NH1-OD2 3.93Å; R24-D79 IonicContact NH2-OD2 3.23Å; R24-D79 PolarHBondContact NH2-OD2 3.34Å; R75-D79 WeakPolarHBondContact O-CB 3.47Å; R75-D79 PolarHBondContact O-N 2.63Å; D79-A83 WeakPolarHBondContact O-CB 3.18Å; D79-A83 PolarHBondContact O-N 3.08Å; D79-R188 VanDerWaalsContact CG-NH2 3.32Å; D79-R188 IonicContact OD1-CZ 2.79Å; D79-R188 VanDerWaalsContact OD1-CZ 3.24Å; D79-R188 IonicContact OD1-NE 3.89Å; D79-R188 PolarHBondContact OD1-NE 3.06Å; D79-R188 IonicContact OD1-NH2 2.98Å; D79-R188 PolarHBondContact OD1-NH2 2.92Å; D79-R188 IonicContact OD2-CZ 3.27Å; D79-R188 IonicContact OD2-NH2 2.71Å; D79-R188 PolarHBondContact OD2-NH2 3.27Å
80	S	79.2	Confident	82.6	Confident	20 Å²	20	36.3 Å²	36.3	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-71.2	-43.2	176.9	-55.8	0	0	0	0	113.4	Y30 D76 L77 L78 Q82 A83 E84	Y30-S80 PolarHBondContact OH-OG 2.75Å; Y30-S80 VanDerWaalsContact OH-OG 3.1Å; D76-S80 PolarHBondContact O-N 2.97Å; D76-S80 PolarHBondContact O-OG 2.75Å; L77-S80 WeakPolarHBondContact O-CB 3.31Å; L77-S80 PolarHBondContact O-N 3.34Å; L78-S80 PolarHBondContact O-N 2.89Å; S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.39Å; S80-A83 PolarHBondContact O-N 2.85Å; S80-E84 PolarHBondContact O-N 3.23Å
81	I	81.9	Confident	82.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-39.1	174.8	-65.6	174.1	0	0	0	110.9	L77 L78 R85 G86 F87 L186 F218	L77-I81 HydrophobicContact CD2-CD1 3.67Å; L77-I81 HydrophobicContact CD2-CG1 4.41Å; L77-I81 WeakPolarHBondContact O-CG1 3.09Å; L77-I81 PolarHBondContact O-N 2.03Å; L78-I81 PolarHBondContact O-N 2.87Å; L78-I81 VanDerWaalsContact O-N 3.15Å; I81-R85 VanDerWaalsContact O-CA 3.28Å; I81-R85 WeakPolarHBondContact O-CA 3.06Å; I81-R85 PolarHBondContact O-N 2.85Å; I81-G86 PolarHBondContact O-N 3.29Å; I81-F87 HydrophobicContact CD1-CD1 3.75Å; I81-F87 HydrophobicContact CD1-CE1 4.23Å; I81-F87 HydrophobicContact CG1-CB 4.39Å; I81-F87 HydrophobicContact CG1-CD1 3.99Å; I81-L186 HydrophobicContact CD1-CB 4.43Å; I81-L186 HydrophobicContact CD1-CD1 3.77Å; I81-L186 HydrophobicContact CG2-CB 4.25Å; I81-F218 HydrophobicContact CB-CE1 4.41Å; I81-F218 HydrophobicContact CD1-CZ 4.43Å; I81-F218 HydrophobicContact CG1-CE1 3.57Å; I81-F218 HydrophobicContact CG1-CZ 3.63Å
82	Q	79.5	Confident	82.8	Confident	72 Å²	72	31 Å²	31	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-66.7	-37.6	175.3	-66.9	-59.5	-66.4	0	0	112.5	L78 S80 Q183 L186	L78-Q82 VanDerWaalsContact O-CG 3.28Å; L78-Q82 WeakPolarHBondContact O-CG 3.2Å; L78-Q82 PolarHBondContact O-N 2.04Å; S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.39Å; Q82-Q183 PolarHBondContact NE2-O 3.27Å; Q82-L186 PolarHBondContact NE2-O 3.03Å
83	A	72	Confident	83.3	Confident	58 Å²	58	28.1 Å²	28.1	48%	0.479	14%	0.142	S	C	.	.	H	α-helix	trans	-72.7	-37.1	-178.5	0	0	0	0	0	113.3	D79 S80	D79-A83 WeakPolarHBondContact O-CB 3.18Å; D79-A83 PolarHBondContact O-N 3.08Å; S80-A83 PolarHBondContact O-N 2.85Å
84	E	70.4	Confident	83.8	Confident	48 Å²	48	30.7 Å²	30.7	22%	0.224	15%	0.15	C	C	.	.	H	α-helix	trans	-104.3	6.4	-176.9	-53.5	-68.2	164	0	0	113	S80 G86 F218 L284	S80-E84 PolarHBondContact O-N 3.23Å; E84-G86 PolarHBondContact O-N 3.22Å; E84-F218 HydrophobicContact CG-CB 4.37Å; E84-F218 HydrophobicContact CG-CD1 4.32Å; E84-L284 HydrophobicContact CB-CD2 4.29Å; E84-L284 WeakPolarHBondContact O-CD2 3.29Å
85	R	78.4	Confident	84	Confident	116 Å²	116	30.6 Å²	30.6	44%	0.438	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	28.9	-176.6	-66.1	178	163.8	-141	8.9	115	I81 D161 Q183	I81-R85 VanDerWaalsContact O-CA 3.28Å; I81-R85 WeakPolarHBondContact O-CA 3.06Å; I81-R85 PolarHBondContact O-N 2.85Å; R85-D161 WeakPolarHBondContact CD-OD1 3.39Å; R85-D161 IonicContact CZ-OD1 3.66Å; R85-D161 IonicContact NH1-OD1 2.84Å; R85-D161 PolarHBondContact NH1-OD1 3.44Å; R85-D161 IonicContact NH1-OD2 3.68Å; R85-D161 PolarHBondContact O-N 2.82Å; R85-Q183 PolarHBondContact O-OE1 2.85Å
86	G	83.2	Confident	84.2	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-174.5	-167.5	0	0	0	0	0	113.4	I81 E84 I159 F218	I81-G86 PolarHBondContact O-N 3.29Å; E84-G86 PolarHBondContact O-N 3.22Å; G86-I159 CarbonylContact C-O 3.56Å; G86-I159 WeakPolarHBondContact CA-O 3.38Å; G86-F218 WeakPolarHBondContact O-CE1 3.29Å
87	F	85.8	Confident	84.5	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	155.1	173	57.7	-97.6	0	0	0	112.8	I81 L89 F116 I159 I182 L186 F216 F218	I81-F87 HydrophobicContact CD1-CD1 3.75Å; I81-F87 HydrophobicContact CD1-CE1 4.23Å; I81-F87 HydrophobicContact CG1-CB 4.39Å; I81-F87 HydrophobicContact CG1-CD1 3.99Å; F87-L89 HydrophobicContact CD2-CB 3.96Å; F87-L89 HydrophobicContact CE2-CB 3.92Å; F87-F116 HydrophobicContact CZ-CE1 4.21Å; F87-F116 HydrophobicContact CZ-CZ 4.3Å; F87-I159 HydrophobicContact CE1-CD1 4.4Å; F87-I159 HydrophobicContact CE2-CD1 4.12Å; F87-I159 HydrophobicContact CE2-CG1 4.19Å; F87-I159 HydrophobicContact CZ-CB 4.4Å; F87-I159 HydrophobicContact CZ-CD1 3.7Å; F87-I159 HydrophobicContact CZ-CG1 4.15Å; F87-I159 PolarHBondContact N-O 3.05Å; F87-I159 PolarHBondContact O-N 2.83Å; F87-I182 HydrophobicContact CD1-CG1 4.44Å; F87-I182 HydrophobicContact CE1-CD1 4.29Å; F87-I182 HydrophobicContact CE1-CG1 3.77Å; F87-L186 HydrophobicContact CE1-CD1 3.99Å; F87-F216 HydrophobicContact CB-CD1 3.81Å; F87-F216 HydrophobicContact CB-CE1 4.26Å; F87-F216 HydrophobicContact CD1-CD1 4.35Å; F87-F216 AromaticContact CD1-CE1 3.95Å; F87-F216 HydrophobicContact CD1-CE1 3.95Å; F87-F216 AromaticContact CD2-CD1 3.69Å; F87-F216 HydrophobicContact CD2-CD1 3.69Å; F87-F216 AromaticContact CD2-CE1 3.5Å; F87-F216 HydrophobicContact CD2-CE1 3.5Å; F87-F216 HydrophobicContact CE1-CE1 4.08Å; F87-F216 HydrophobicContact CE2-CD1 4.31Å; F87-F216 AromaticContact CE2-CE1 3.67Å; F87-F216 HydrophobicContact CE2-CE1 3.67Å; F87-F216 HydrophobicContact CE2-CZ 4.48Å; F87-F216 AromaticContact CG-CD1 3.7Å; F87-F216 HydrophobicContact CG-CD1 3.7Å; F87-F216 AromaticContact CG-CE1 3.65Å; F87-F216 HydrophobicContact CG-CE1 3.65Å; F87-F216 AromaticContact CZ-CE1 3.95Å; F87-F216 HydrophobicContact CZ-CE1 3.95Å; F87-F218 HydrophobicContact CB-CD1 4.46Å; F87-F218 HydrophobicContact CB-CE1 3.62Å; F87-F218 HydrophobicContact CB-CZ 3.95Å
88	L	82.1	Confident	84.5	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.126	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	161.8	-171.6	73.5	0	0	0	109.3	L90 T156 F158 F216 V217 V269	L88-L90 HydrophobicContact CD2-CD2 4.08Å; L88-L90 HydrophobicContact CD2-CG 4.36Å; L88-L90 HydrophobicContact CG-CD2 4.15Å; L88-L90 HydrophobicContact CG-CG 4.42Å; L88-T156 HydrophobicContact CD1-CG2 3.74Å; L88-F158 HydrophobicContact CD1-CB 3.93Å; L88-F158 HydrophobicContact CD1-CD2 4.01Å; L88-F158 HydrophobicContact CD1-CG 4.41Å; L88-F216 WeakPolarHBondContact O-CA 3.39Å; L88-V217 HydrophobicContact CB-CB 4.34Å; L88-V217 PolarHBondContact O-N 3.1Å; L88-V269 HydrophobicContact CD2-CG1 4.42Å; L88-V269 HydrophobicContact CD2-CG2 4.22Å
89	L	87.8	Confident	84.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.7	174.2	174.9	69.9	0	0	0	109.8	F87 L91 L104 I118 T156 L157 V214 F216	F87-L89 HydrophobicContact CD2-CB 3.96Å; F87-L89 HydrophobicContact CE2-CB 3.92Å; L89-L91 HydrophobicContact CD1-CD2 4.33Å; L89-L91 HydrophobicContact CD2-CD2 3.97Å; L89-L91 HydrophobicContact CG-CD2 4.09Å; L89-L104 HydrophobicContact CD1-CD2 3.82Å; L89-L104 HydrophobicContact CD2-CD2 3.76Å; L89-L104 HydrophobicContact CG-CD2 4.47Å; L89-I118 HydrophobicContact CD2-CD1 3.62Å; L89-T156 WeakPolarHBondContact O-CA 3.36Å; L89-L157 HydrophobicContact CB-CB 4.34Å; L89-L157 HydrophobicContact CD2-CB 4.48Å; L89-L157 HydrophobicContact CD2-CD2 4.15Å; L89-L157 PolarHBondContact N-O 3.29Å; L89-L157 PolarHBondContact O-N 2.91Å; L89-V214 HydrophobicContact CD1-CG1 4.47Å; L89-F216 HydrophobicContact CD1-CD2 4.15Å; L89-F216 HydrophobicContact CD1-CE2 4.05Å; L89-F216 HydrophobicContact CD1-CZ 4.33Å
90	L	86.4	Confident	85.2	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134	173.6	-55.7	175.9	0	0	0	108.8	L88 T156 N213 V214 H215 V217 L266 V269	L88-L90 HydrophobicContact CD2-CD2 4.08Å; L88-L90 HydrophobicContact CD2-CG 4.36Å; L88-L90 HydrophobicContact CG-CD2 4.15Å; L88-L90 HydrophobicContact CG-CG 4.42Å; L90-T156 HydrophobicContact CD2-CG2 3.71Å; L90-T156 WeakPolarHBondContact CD2-OG1 3Å; L90-N213 CarbonylContact C-O 3.52Å; L90-V214 WeakPolarHBondContact O-CA 3.11Å; L90-H215 HydrophobicContact CB-CB 4.45Å; L90-H215 PolarHBondContact N-O 2.77Å; L90-H215 PolarHBondContact O-N 2.04Å; L90-V217 HydrophobicContact CD1-CG2 3.98Å; L90-V217 HydrophobicContact CG-CG2 4.49Å; L90-L266 HydrophobicContact CD1-CD2 4.26Å; L90-V269 HydrophobicContact CD1-CG2 4.41Å
91	L	89.4	Confident	85.8	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	144.8	168.2	62.7	98.4	0	0	0	113.9	L89 L93 L103 L155 N213 V214	L89-L91 HydrophobicContact CD1-CD2 4.33Å; L89-L91 HydrophobicContact CD2-CD2 3.97Å; L89-L91 HydrophobicContact CG-CD2 4.09Å; L91-L93 HydrophobicContact CD1-CB 3.94Å; L91-L93 HydrophobicContact CD1-CD1 4.49Å; L91-L93 HydrophobicContact CD1-CD2 3.72Å; L91-L93 HydrophobicContact CD1-CG 4.25Å; L91-L103 HydrophobicContact CD1-CD1 4.18Å; L91-L103 HydrophobicContact CD2-CD1 4.12Å; L91-L155 HydrophobicContact CD1-CB 4.04Å; L91-L155 HydrophobicContact CD1-CD1 4.28Å; L91-L155 HydrophobicContact CD2-CD2 4.26Å; L91-L155 HydrophobicContact CG-CB 4.13Å; L91-L155 HydrophobicContact CG-CD2 4.12Å; L91-L155 PolarHBondContact N-O 3.43Å; L91-L155 PolarHBondContact O-N 3.14Å; L91-N213 WeakPolarHBondContact CA-O 3.44Å; L91-V214 HydrophobicContact CB-CB 4.3Å; L91-V214 HydrophobicContact CB-CG1 4.28Å; L91-V214 HydrophobicContact CB-CG2 3.92Å; L91-V214 HydrophobicContact CD2-CG1 4.45Å
92	N	89.6	Confident	86.3	Confident	17 Å²	17	42.8 Å²	42.8	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	170	-80.4	-101.6	0	0	0	109.6	W152 R153 N154 L211 Q212	N92-W152 HydrophobicContact CB-CZ3 4.4Å; N92-R153 WeakPolarHBondContact CA-O 3.39Å; N92-N154 PolarHBondContact ND2-OD1 3.44Å; N92-L211 CarbonylContact O-C 3.5Å; N92-Q212 HydrophobicContact CB-CB 4.08Å; N92-Q212 PolarHBondContact N-O 3.49Å; N92-Q212 PolarHBondContact O-N 3.36Å
93	L	92.9	Very high	87	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.5	-177	77.6	161.8	0	0	0	113.2	L91 Q95 L103 L147 W152 R153 L155 F207 V210 L211	L91-L93 HydrophobicContact CD1-CB 3.94Å; L91-L93 HydrophobicContact CD1-CD1 4.49Å; L91-L93 HydrophobicContact CD1-CD2 3.72Å; L91-L93 HydrophobicContact CD1-CG 4.25Å; L93-Q95 HydrophobicContact CD1-CB 4.46Å; L93-L103 HydrophobicContact CD1-CD2 3.91Å; L93-L147 HydrophobicContact CD1-CB 4.36Å; L93-L147 HydrophobicContact CD2-CD2 4.26Å; L93-W152 VanDerWaalsContact C-CE3 3.47Å; L93-W152 WeakPolarHBondContact O-CA 3.23Å; L93-R153 HydrophobicContact CD2-CB 3.92Å; L93-R153 PolarHBondContact N-O 3.29Å; L93-R153 PolarHBondContact O-N 2.71Å; L93-L155 HydrophobicContact CD2-CB 4Å; L93-L155 HydrophobicContact CD2-CD1 4.41Å; L93-F207 HydrophobicContact CB-CZ 4.14Å; L93-F207 HydrophobicContact CD1-CE2 4.14Å; L93-F207 HydrophobicContact CD1-CZ 4.3Å; L93-V210 WeakPolarHBondContact CA-O 3.07Å; L93-L211 HydrophobicContact CB-CD2 3.82Å
94	K	93.5	Very high	88	Confident	80 Å²	80	36.9 Å²	36.9	35%	0.348	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	91.8	168.5	179.3	163	-169.6	172	0	109.8	G150 H151 W152 G209 V210	K94-G150 WeakPolarHBondContact CE-O 3.46Å; K94-H151 WeakPolarHBondContact CA-O 3.29Å; K94-H151 WeakPolarHBondContact CG-O 3.2Å; K94-W152 HydrophobicContact CB-CD2 3.7Å; K94-W152 HydrophobicContact CB-CE3 3.68Å; K94-W152 HydrophobicContact CB-CG 4.26Å; K94-W152 HydrophobicContact CB-CH2 4.34Å; K94-W152 HydrophobicContact CB-CZ2 4.36Å; K94-W152 HydrophobicContact CB-CZ3 4.01Å; K94-W152 HydrophobicContact CD-CD2 4.09Å; K94-W152 HydrophobicContact CD-CG 4.1Å; K94-W152 HydrophobicContact CG-CD2 4.5Å; K94-G209 CarbonylContact O-C 3.54Å; K94-G209 WeakPolarHBondContact O-CA 3.39Å; K94-V210 HydrophobicContact CB-CB 4.32Å; K94-V210 PolarHBondContact N-O 2.84Å; K94-V210 PolarHBondContact O-N 2.93Å
95	Q	94.1	Very high	89.1	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.1	-173.8	-179.6	168.3	-9.2	0	0	112.3	L93 T99 S120 A148 G150 F207	L93-Q95 HydrophobicContact CD1-CB 4.46Å; Q95-T99 WeakPolarHBondContact CG-OG1 3.24Å; Q95-T99 PolarHBondContact NE2-O 3.45Å; Q95-S120 PolarHBondContact NE2-O 3.32Å; Q95-S120 PolarHBondContact NE2-OG 3.29Å; Q95-S120 PolarHBondContact OE1-OG 2.91Å; Q95-A148 HydrophobicContact CB-CB 4.46Å; Q95-A148 HydrophobicContact CG-CB 3.95Å; Q95-G150 VanDerWaalsContact O-CA 3.24Å; Q95-G150 WeakPolarHBondContact O-CA 3.49Å; Q95-G150 PolarHBondContact O-N 2.79Å; Q95-G150 VanDerWaalsContact O-N 3.15Å; Q95-F207 HydrophobicContact CB-CE2 3.85Å; Q95-F207 HydrophobicContact CB-CZ 3.84Å; Q95-F207 HydrophobicContact CG-CE2 3.93Å; Q95-F207 HydrophobicContact CG-CZ 4.33Å
96	S	90.7	Very high	89.8	Confident	56 Å²	56	29.3 Å²	29.3	39%	0.392	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-67.1	142.3	-179.8	-59	0	0	0	0	112.1	K98 T99 M208	S96-K98 PolarHBondContact O-N 2.9Å; S96-T99 PolarHBondContact O-N 3.34Å; S96-T99 PolarHBondContact O-OG1 2.83Å; S96-M208 VanDerWaalsContact CB-O 3.29Å; S96-M208 WeakPolarHBondContact CB-O 3.34Å; S96-M208 PolarHBondContact N-O 2.78Å; S96-M208 PolarHBondContact OG-O 3.33Å
97	K	87.8	Confident	90.1	Very high	154 Å²	154	29.7 Å²	29.7	67%	0.67	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	128.8	-175.7	-75.9	-169.6	172.1	-171	0	112.5	T99 A148 N149	K97-T99 VanDerWaalsContact C-N 3.26Å; K97-T99 PolarHBondContact O-N 2.85Å; K97-A148 VanDerWaalsContact CA-O 3.3Å; K97-A148 WeakPolarHBondContact CA-O 3.36Å; K97-N149 WeakPolarHBondContact CE-O 3.49Å; K97-N149 WeakPolarHBondContact CG-O 3.46Å
98	K	83.1	Confident	90.2	Very high	165 Å²	165	32.3 Å²	32.3	72%	0.717	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.8	178.6	-57.5	-160.4	175.8	-160.4	0	115.9	S96 G122 A148	S96-K98 PolarHBondContact O-N 2.9Å; K98-G122 VanDerWaalsContact CA-O 3.28Å; K98-G122 WeakPolarHBondContact CA-O 3.09Å; K98-A148 PolarHBondContact N-O 3.44Å
99	T	90.3	Very high	90.2	Very high	23 Å²	23	34.5 Å²	34.5	14%	0.141	17%	0.165	C	C	.	.			trans	-96.9	147.5	173.8	60.5	0	0	0	0	112.1	Q95 S96 K97 G122 M208	Q95-T99 WeakPolarHBondContact CG-OG1 3.24Å; Q95-T99 PolarHBondContact NE2-O 3.45Å; S96-T99 PolarHBondContact O-N 3.34Å; S96-T99 PolarHBondContact O-OG1 2.83Å; K97-T99 VanDerWaalsContact C-N 3.26Å; K97-T99 PolarHBondContact O-N 2.85Å; T99-G122 WeakPolarHBondContact O-CA 3.49Å; T99-G122 PolarHBondContact O-N 3.32Å; T99-M208 HydrophobicContact CG2-CE 3.73Å
100	R	91.7	Very high	89.8	Confident	74 Å²	74	40.1 Å²	40.1	28%	0.279	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.7	166.9	-173.1	175.3	-166.2	-105.8	6.5	109.3	I119 S120 N121 D128 D205	R100-I119 HydrophobicContact CG-CG2 3.57Å; R100-S120 WeakPolarHBondContact CA-O 3.05Å; R100-N121 HydrophobicContact CG-CB 3.9Å; R100-N121 PolarHBondContact NE-ND2 3.06Å; R100-D128 IonicContact CZ-OD2 2.63Å; R100-D128 IonicContact NE-OD2 2.62Å; R100-D128 PolarHBondContact NE-OD2 2.88Å; R100-D128 IonicContact NH2-OD2 2.82Å; R100-D128 PolarHBondContact NH2-OD2 2.91Å; R100-D205 WeakPolarHBondContact CD-OD1 3.45Å; R100-D205 WeakPolarHBondContact CG-OD1 3.41Å; R100-D205 IonicContact CZ-OD1 2.7Å; R100-D205 IonicContact NE-OD1 2.8Å; R100-D205 IonicContact NH1-OD1 3.7Å; R100-D205 PolarHBondContact NH1-OD1 2.78Å; R100-D205 IonicContact NH1-OD2 3.4Å; R100-D205 PolarHBondContact NH1-OD2 2.93Å
101	G	90.8	Very high	89.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	136.7	178.1	0	0	0	0	0	113.2	S120	G101-S120 PolarHBondContact N-O 2.99Å; G101-S120 PolarHBondContact O-N 2.85Å; G101-S120 VanDerWaalsContact O-N 3.08Å
102	S	93.1	Very high	88.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	131.9	175	159.1	0	0	0	0	111.9	L104 T105 E117 I118 G199 K200 F207	S102-L104 PolarHBondContact OG-N 3.39Å; S102-L104 PolarHBondContact OG-O 2.86Å; S102-T105 PolarHBondContact OG-OG1 2.94Å; S102-E117 VanDerWaalsContact CB-OE1 3.32Å; S102-E117 WeakPolarHBondContact CB-OE1 3.1Å; S102-I118 CarbonylContact C-O 3.55Å; S102-I118 WeakPolarHBondContact CA-O 3.03Å; S102-G199 CarbonylContact O-C 3.56Å; S102-G199 VanDerWaalsContact O-CA 3.26Å; S102-G199 WeakPolarHBondContact O-CA 3.08Å; S102-K200 PolarHBondContact OG-O 3.37Å; S102-F207 WeakPolarHBondContact O-CB 3.29Å
103	L	93.4	Very high	87.8	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-45.5	171.5	-56.2	-179.6	0	0	0	110.3	L91 L93 I118 L127 L155 G199 F207 L211	L91-L103 HydrophobicContact CD1-CD1 4.18Å; L91-L103 HydrophobicContact CD2-CD1 4.12Å; L93-L103 HydrophobicContact CD1-CD2 3.91Å; L103-I118 HydrophobicContact CD1-CG2 4.12Å; L103-I118 PolarHBondContact N-O 3.23Å; L103-L127 HydrophobicContact CD1-CD1 3.99Å; L103-L155 HydrophobicContact CD1-CD1 4.07Å; L103-G199 PolarHBondContact O-N 2.75Å; L103-F207 HydrophobicContact CD2-CD2 3.62Å; L103-F207 HydrophobicContact CD2-CE2 3.44Å; L103-F207 VanDerWaalsContact CD2-CE2 3.44Å; L103-F207 HydrophobicContact CD2-CZ 4.35Å; L103-L211 HydrophobicContact CD2-CD2 4.27Å
104	L	93.4	Very high	87.6	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.8	175.7	63.1	88.4	0	0	0	111.7	L32 L89 S102 I118 L196 R197 F216	L32-L104 HydrophobicContact CD1-CD2 4.39Å; L89-L104 HydrophobicContact CD1-CD2 3.82Å; L89-L104 HydrophobicContact CD2-CD2 3.76Å; L89-L104 HydrophobicContact CG-CD2 4.47Å; S102-L104 PolarHBondContact OG-N 3.39Å; S102-L104 PolarHBondContact OG-O 2.86Å; L104-I118 HydrophobicContact CD1-CB 4.46Å; L104-I118 HydrophobicContact CD1-CD1 3.82Å; L104-I118 HydrophobicContact CD1-CG1 3.92Å; L104-I118 HydrophobicContact CD2-CD1 4.22Å; L104-I118 HydrophobicContact CG-CB 4.31Å; L104-I118 HydrophobicContact CG-CD1 4.02Å; L104-I118 HydrophobicContact CG-CG1 4.23Å; L104-I118 PolarHBondContact O-N 2.71Å; L104-L196 HydrophobicContact CB-CD1 4.36Å; L104-L196 HydrophobicContact CD1-CD1 4.27Å; L104-R197 VanDerWaalsContact CA-O 3.25Å; L104-R197 WeakPolarHBondContact CA-O 3.26Å; L104-R197 WeakPolarHBondContact CB-O 3.13Å; L104-F216 HydrophobicContact CD2-CE2 4.17Å; L104-F216 HydrophobicContact CD2-CZ 4.25Å
105	T	93.2	Very high	87.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	131.5	-174.1	-51.5	0	0	0	0	111.2	S102 E107 P114 F116 E117 L196 R197 K200 G201 A202	S102-T105 PolarHBondContact OG-OG1 2.94Å; T105-E107 HydrophobicContact CG2-CB 4.16Å; T105-P114 HydrophobicContact CG2-CB 4.16Å; T105-F116 CarbonylContact C-O 3.49Å; T105-E117 HydrophobicContact CG2-CB 4.02Å; T105-E117 HydrophobicContact CG2-CG 4Å; T105-E117 WeakPolarHBondContact CG2-OE2 3.5Å; T105-E117 WeakPolarHBondContact OG1-CG 3.35Å; T105-L196 CarbonylContact O-C 3.59Å; T105-L196 WeakPolarHBondContact O-CA 3.05Å; T105-R197 PolarHBondContact N-O 3.41Å; T105-R197 PolarHBondContact O-N 3.5Å; T105-K200 VanDerWaalsContact CB-O 3.25Å; T105-K200 WeakPolarHBondContact CB-O 3.25Å; T105-K200 PolarHBondContact OG1-O 3.01Å; T105-G201 WeakPolarHBondContact OG1-CA 3.48Å; T105-A202 HydrophobicContact CG2-CB 4.15Å
106	V	93.1	Very high	87.3	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	95.8	162.1	179.9	0	0	0	0	107.3	F74 I115 F116 L186 A194 L196	F74-V106 HydrophobicContact CE1-CG1 4.44Å; F74-V106 HydrophobicContact CE2-CG2 4.28Å; F74-V106 HydrophobicContact CZ-CG1 3.82Å; F74-V106 HydrophobicContact CZ-CG2 4.06Å; V106-I115 HydrophobicContact CB-CB 4.5Å; V106-I115 HydrophobicContact CG1-CB 4.15Å; V106-I115 HydrophobicContact CG1-CD1 4.12Å; V106-I115 PolarHBondContact O-N 2.91Å; V106-F116 HydrophobicContact CB-CB 4.46Å; V106-F116 PolarHBondContact N-O 2.82Å; V106-L186 HydrophobicContact CG2-CD2 4.08Å; V106-A194 HydrophobicContact CG1-CB 3.75Å; V106-L196 HydrophobicContact CG2-CD1 4.07Å
107	E	89.7	Confident	87.4	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.5	179.4	60.6	176.9	-159.7	0	0	110.7	T105 A194 R195 R197 K200 A202	T105-E107 HydrophobicContact CG2-CB 4.16Å; E107-A194 CarbonylContact O-C 3.55Å; E107-A194 VanDerWaalsContact O-CA 3.29Å; E107-A194 WeakPolarHBondContact O-CA 3.46Å; E107-R195 HydrophobicContact CG-CG 3.78Å; E107-R195 PolarHBondContact N-O 2.86Å; E107-R195 PolarHBondContact O-N 3.26Å; E107-R195 IonicContact OE1-CZ 3.11Å; E107-R195 IonicContact OE1-NE 2.77Å; E107-R195 PolarHBondContact OE1-NE 3.44Å; E107-R195 IonicContact OE1-NH2 2.66Å; E107-R195 PolarHBondContact OE1-NH2 3.2Å; E107-R197 HydrophobicContact CG-CG 3.9Å; E107-R197 IonicContact OE1-CZ 3.23Å; E107-R197 IonicContact OE1-NE 2.75Å; E107-R197 PolarHBondContact OE1-NE 3.34Å; E107-R197 IonicContact OE1-NH2 3.94Å; E107-R197 PolarHBondContact OE1-NH2 3.13Å; E107-K200 WeakPolarHBondContact OE2-CE 3.49Å; E107-A202 HydrophobicContact CB-CB 4.46Å
108	K	87.7	Confident	87.8	Confident	58 Å²	58	33.9 Å²	33.9	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	139.9	172.6	-64.9	173.2	-179.9	171.6	0	109.5	D110 G111 S112 G113 I115 S132	K108-D110 WeakPolarHBondContact CB-OD1 3.45Å; K108-D110 PolarHBondContact O-N 3.21Å; K108-G111 PolarHBondContact O-N 2.94Å; K108-G111 VanDerWaalsContact O-N 3.08Å; K108-S112 WeakPolarHBondContact CD-OG 3.43Å; K108-G113 PolarHBondContact N-O 2.87Å; K108-I115 HydrophobicContact CD-CG1 4.23Å; K108-I115 HydrophobicContact CG-CD1 3.57Å; K108-I115 HydrophobicContact CG-CG1 3.65Å; K108-S132 PolarHBondContact NZ-OG 3.15Å
109	T	83.3	Confident	88.3	Confident	70 Å²	70	26.2 Å²	26.2	43%	0.429	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.4	-173.3	46.2	0	0	0	0	113.6	G111 R193 R195	T109-G111 VanDerWaalsContact C-N 3.29Å; T109-R193 PolarHBondContact N-O 3.18Å; T109-R193 PolarHBondContact OG1-O 3.1Å; T109-R193 VanDerWaalsContact OG1-O 3.07Å; T109-R195 HydrophobicContact CG2-CG 4.49Å
110	D	79.4	Confident	88.5	Confident	118 Å²	118	25.1 Å²	25.1	63%	0.631	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.6	173.1	64	2.7	0	0	0	113.8	K108 S112	K108-D110 WeakPolarHBondContact CB-OD1 3.45Å; K108-D110 PolarHBondContact O-N 3.21Å; D110-S112 VanDerWaalsContact CG-OG 3.24Å; D110-S112 WeakPolarHBondContact OD1-CB 3.44Å; D110-S112 PolarHBondContact OD1-N 2.91Å; D110-S112 PolarHBondContact OD1-OG 2.78Å; D110-S112 PolarHBondContact OD2-OG 2.03Å
111	G	70.4	Confident	88.5	Confident	62 Å²	62	22.5 Å²	22.5	64%	0.639	14%	0.144	S	C	*	.	S	Bend	trans	82.3	13	-176	0	0	0	0	0	115.3	K108 T109 G113	K108-G111 PolarHBondContact O-N 2.94Å; K108-G111 VanDerWaalsContact O-N 3.08Å; T109-G111 VanDerWaalsContact C-N 3.29Å; G111-G113 VanDerWaalsContact C-N 3.31Å; G111-G113 PolarHBondContact O-N 3.37Å
112	S	74.4	Confident	88.3	Confident	79 Å²	79	23.1 Å²	23.1	55%	0.552	15%	0.15	S	C	*	.	S	Bend	trans	-72.6	-17	-178	59.8	0	0	0	0	114.7	K108 D110	K108-S112 WeakPolarHBondContact CD-OG 3.43Å; D110-S112 VanDerWaalsContact CG-OG 3.24Å; D110-S112 WeakPolarHBondContact OD1-CB 3.44Å; D110-S112 PolarHBondContact OD1-N 2.91Å; D110-S112 PolarHBondContact OD1-OG 2.78Å; D110-S112 PolarHBondContact OD2-OG 2.03Å
113	G	78.4	Confident	87.9	Confident	13 Å²	13	31.5 Å²	31.5	13%	0.134	19%	0.186	C	C	.	.			trans	158.5	-175.9	173.5	0	0	0	0	0	114.1	K108 G111	K108-G113 PolarHBondContact N-O 2.87Å; G111-G113 VanDerWaalsContact C-N 3.31Å; G111-G113 PolarHBondContact O-N 3.37Å
114	P	87.7	Confident	87.6	Confident	6 Å²	6	34.2 Å²	34.2	4%	0.039	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148.4	166.6	32.2	-28.5	0	0	0	110.3	T105 E117 V130 S132 L137 A202	T105-P114 HydrophobicContact CG2-CB 4.16Å; P114-E117 HydrophobicContact CB-CB 3.9Å; P114-V130 HydrophobicContact CG-CG1 4.47Å; P114-S132 WeakPolarHBondContact O-CB 3.49Å; P114-L137 HydrophobicContact CG-CD2 3.99Å; P114-A202 HydrophobicContact CB-CB 3.81Å; P114-A202 HydrophobicContact CG-CB 4Å
115	I	89.4	Confident	87.4	Confident	13 Å²	13	37.1 Å²	37.1	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-41.3	160.9	-72.5	147.9	0	0	0	109.6	V106 K108 Y131 S132 L185 L190 A194	V106-I115 HydrophobicContact CB-CB 4.5Å; V106-I115 HydrophobicContact CG1-CB 4.15Å; V106-I115 HydrophobicContact CG1-CD1 4.12Å; V106-I115 PolarHBondContact O-N 2.91Å; K108-I115 HydrophobicContact CD-CG1 4.23Å; K108-I115 HydrophobicContact CG-CD1 3.57Å; K108-I115 HydrophobicContact CG-CG1 3.65Å; I115-Y131 CarbonylContact O-C 3.56Å; I115-Y131 WeakPolarHBondContact O-CA 3.5Å; I115-Y131 VanDerWaalsContact O-CB 3.25Å; I115-Y131 WeakPolarHBondContact O-CB 3.45Å; I115-S132 PolarHBondContact O-N 3.37Å; I115-L185 WeakPolarHBondContact CG2-O 3.03Å; I115-L190 HydrophobicContact CD1-CD2 4.06Å; I115-L190 HydrophobicContact CG2-CD1 4.32Å; I115-A194 HydrophobicContact CD1-CB 3.37Å
116	F	92.6	Very high	87.3	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	129.7	178.2	-176.6	-99.6	0	0	0	108.9	F87 T105 V106 I118 L129 V130 I159 I182 L186	F87-F116 HydrophobicContact CZ-CE1 4.21Å; F87-F116 HydrophobicContact CZ-CZ 4.3Å; T105-F116 CarbonylContact C-O 3.49Å; V106-F116 HydrophobicContact CB-CB 4.46Å; V106-F116 PolarHBondContact N-O 2.82Å; F116-I118 HydrophobicContact CD1-CG1 4.47Å; F116-I118 HydrophobicContact CE1-CD1 3.83Å; F116-I118 HydrophobicContact CE1-CG1 3.66Å; F116-I118 HydrophobicContact CZ-CD1 4.21Å; F116-I118 HydrophobicContact CZ-CG1 4.03Å; F116-L129 HydrophobicContact CZ-CD2 4.49Å; F116-V130 CarbonylContact C-O 3.55Å; F116-V130 VanDerWaalsContact CA-O 3.3Å; F116-V130 WeakPolarHBondContact CA-O 3.45Å; F116-I159 HydrophobicContact CZ-CD1 3.96Å; F116-I182 HydrophobicContact CD2-CD1 3.95Å; F116-I182 HydrophobicContact CE2-CD1 3.6Å; F116-I182 HydrophobicContact CZ-CD1 4.01Å; F116-L186 HydrophobicContact CB-CD2 4.09Å; F116-L186 HydrophobicContact CD1-CD1 4.47Å
117	E	93.1	Very high	87.3	Confident	5 Å²	5	37.1 Å²	37.1	2%	0.023	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.7	-175.4	-178.4	168.2	156.5	0	0	110.5	S102 T105 P114 I119 V130 G201 A202	S102-E117 VanDerWaalsContact CB-OE1 3.32Å; S102-E117 WeakPolarHBondContact CB-OE1 3.1Å; T105-E117 HydrophobicContact CG2-CB 4.02Å; T105-E117 HydrophobicContact CG2-CG 4Å; T105-E117 WeakPolarHBondContact CG2-OE2 3.5Å; T105-E117 WeakPolarHBondContact OG1-CG 3.35Å; P114-E117 HydrophobicContact CB-CB 3.9Å; E117-I119 HydrophobicContact CG-CD1 4.01Å; E117-I119 HydrophobicContact CG-CG1 3.71Å; E117-I119 WeakPolarHBondContact OE1-CD1 3.48Å; E117-V130 HydrophobicContact CB-CB 4.31Å; E117-V130 PolarHBondContact N-O 3.13Å; E117-V130 PolarHBondContact O-N 3.08Å; E117-G201 VanDerWaalsContact CD-CA 3.46Å; E117-G201 WeakPolarHBondContact OE1-CA 3.2Å; E117-A202 PolarHBondContact OE2-N 3.31Å
118	I	94.5	Very high	87.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.2	179.8	-56.1	-175.2	0	0	0	109.1	L89 S102 L103 L104 F116 L127 L129 L157	L89-I118 HydrophobicContact CD2-CD1 3.62Å; S102-I118 CarbonylContact C-O 3.55Å; S102-I118 WeakPolarHBondContact CA-O 3.03Å; L103-I118 HydrophobicContact CD1-CG2 4.12Å; L103-I118 PolarHBondContact N-O 3.23Å; L104-I118 HydrophobicContact CD1-CB 4.46Å; L104-I118 HydrophobicContact CD1-CD1 3.82Å; L104-I118 HydrophobicContact CD1-CG1 3.92Å; L104-I118 HydrophobicContact CD2-CD1 4.22Å; L104-I118 HydrophobicContact CG-CB 4.31Å; L104-I118 HydrophobicContact CG-CD1 4.02Å; L104-I118 HydrophobicContact CG-CG1 4.23Å; L104-I118 PolarHBondContact O-N 2.71Å; F116-I118 HydrophobicContact CD1-CG1 4.47Å; F116-I118 HydrophobicContact CE1-CD1 3.83Å; F116-I118 HydrophobicContact CE1-CG1 3.66Å; F116-I118 HydrophobicContact CZ-CD1 4.21Å; F116-I118 HydrophobicContact CZ-CG1 4.03Å; I118-L127 HydrophobicContact CG2-CD1 3.75Å; I118-L127 HydrophobicContact CG2-CD2 4.34Å; I118-L127 HydrophobicContact CG2-CG 4.18Å; I118-L129 HydrophobicContact CB-CD2 4.33Å; I118-L129 HydrophobicContact CD1-CD2 4.24Å; I118-L129 HydrophobicContact CG1-CD2 3.81Å; I118-L129 HydrophobicContact CG2-CD2 4.05Å; I118-L157 HydrophobicContact CD1-CD2 3.73Å
119	I	94.4	Very high	87.8	Confident	4 Å²	4	34 Å²	34	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.7	-170.8	-47.5	179.1	0	0	0	111.4	R100 E117 N121 L127 D128 V130	R100-I119 HydrophobicContact CG-CG2 3.57Å; E117-I119 HydrophobicContact CG-CD1 4.01Å; E117-I119 HydrophobicContact CG-CG1 3.71Å; E117-I119 WeakPolarHBondContact OE1-CD1 3.48Å; I119-N121 PolarHBondContact O-N 3.2Å; I119-L127 CarbonylContact O-C 3.47Å; I119-L127 WeakPolarHBondContact O-CA 3.32Å; I119-D128 HydrophobicContact CB-CB 4.17Å; I119-D128 PolarHBondContact N-O 3.49Å; I119-D128 PolarHBondContact O-N 3.19Å; I119-V130 HydrophobicContact CD1-CG2 3.76Å; I119-V130 HydrophobicContact CG1-CG2 4.39Å
120	S	93.7	Very high	88.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	115.8	170	169.3	0	0	0	0	109.7	Q95 R100 G101 L147	Q95-S120 PolarHBondContact NE2-O 3.32Å; Q95-S120 PolarHBondContact NE2-OG 3.29Å; Q95-S120 PolarHBondContact OE1-OG 2.91Å; R100-S120 WeakPolarHBondContact CA-O 3.05Å; G101-S120 PolarHBondContact N-O 2.99Å; G101-S120 PolarHBondContact O-N 2.85Å; G101-S120 VanDerWaalsContact O-N 3.08Å; S120-L147 WeakPolarHBondContact OG-CB 3.33Å
121	N	92.6	Very high	88.8	Confident	19 Å²	19	25.7 Å²	25.7	10%	0.102	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	79.3	-164.6	-178.3	1.9	0	0	0	112.1	R100 I119 K123 A124 N125 T126 D128	R100-N121 HydrophobicContact CG-CB 3.9Å; R100-N121 PolarHBondContact NE-ND2 3.06Å; I119-N121 PolarHBondContact O-N 3.2Å; N121-K123 PolarHBondContact O-N 3.19Å; N121-K123 PolarHBondContact OD1-N 3.32Å; N121-A124 PolarHBondContact O-N 3.32Å; N121-A124 VanDerWaalsContact O-N 3.12Å; N121-N125 PolarHBondContact O-N 2.84Å; N121-T126 WeakPolarHBondContact CB-OG1 3.4Å; N121-T126 PolarHBondContact N-O 2.61Å; N121-T126 PolarHBondContact ND2-OG1 3.48Å; N121-T126 PolarHBondContact O-N 3.2Å; N121-D128 WeakPolarHBondContact CB-OD2 3.02Å; N121-D128 PolarHBondContact ND2-OD2 2.84Å
122	G	86.8	Confident	89.4	Confident	12 Å²	12	24.1 Å²	24.1	12%	0.124	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	1	-178.7	0	0	0	0	0	117.5	K98 T99	K98-G122 VanDerWaalsContact CA-O 3.28Å; K98-G122 WeakPolarHBondContact CA-O 3.09Å; T99-G122 WeakPolarHBondContact O-CA 3.49Å; T99-G122 PolarHBondContact O-N 3.32Å
123	K	85.4	Confident	89.5	Confident	177 Å²	177	22.2 Å²	22.2	77%	0.77	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-40.7	171.3	-72.7	-172.3	175.3	-175.2	0	112.1	N121	N121-K123 PolarHBondContact O-N 3.19Å; N121-K123 PolarHBondContact OD1-N 3.32Å
124	A	86.3	Confident	88.7	Confident	59 Å²	59	31.3 Å²	31.3	49%	0.488	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.9	177.9	0	0	0	0	0	113.1	N121 T126	N121-A124 PolarHBondContact O-N 3.32Å; N121-A124 VanDerWaalsContact O-N 3.12Å; A124-T126 HydrophobicContact CB-CG2 3.91Å; A124-T126 PolarHBondContact O-N 3.34Å
125	N	89.4	Confident	87.2	Confident	64 Å²	64	40.3 Å²	40.3	34%	0.342	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	6.4	-171.2	-151	30	0	0	0	115	N121 D144 A145 G146	N121-N125 PolarHBondContact O-N 2.84Å; N125-D144 PolarHBondContact ND2-OD1 3.23Å; N125-A145 PolarHBondContact O-N 3.03Å; N125-G146 WeakPolarHBondContact OD1-CA 3.09Å; N125-G146 PolarHBondContact OD1-N 3.02Å
126	T	91.6	Very high	86.5	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	162.1	-172.9	57.3	0	0	0	0	114.7	N121 A124 D128 I142 E143	N121-T126 WeakPolarHBondContact CB-OG1 3.4Å; N121-T126 PolarHBondContact N-O 2.61Å; N121-T126 PolarHBondContact ND2-OG1 3.48Å; N121-T126 PolarHBondContact O-N 3.2Å; A124-T126 HydrophobicContact CB-CG2 3.91Å; A124-T126 PolarHBondContact O-N 3.34Å; T126-D128 WeakPolarHBondContact CB-OD1 3.33Å; T126-D128 PolarHBondContact OG1-OD1 3.49Å; T126-I142 CarbonylContact C-O 3.6Å; T126-I142 WeakPolarHBondContact CA-O 3.34Å; T126-I142 WeakPolarHBondContact CB-O 3.04Å; T126-E143 HydrophobicContact CG2-CB 4.47Å; T126-E143 HydrophobicContact CG2-CG 4.13Å
127	L	93.4	Very high	86	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.3	153.4	-176.8	74.6	0	0	0	108.3	L103 I118 I119 I142 A145 L147 L155 L157 L166	L103-L127 HydrophobicContact CD1-CD1 3.99Å; I118-L127 HydrophobicContact CG2-CD1 3.75Å; I118-L127 HydrophobicContact CG2-CD2 4.34Å; I118-L127 HydrophobicContact CG2-CG 4.18Å; I119-L127 CarbonylContact O-C 3.47Å; I119-L127 WeakPolarHBondContact O-CA 3.32Å; L127-I142 HydrophobicContact CB-CB 4.39Å; L127-I142 PolarHBondContact N-O 3.05Å; L127-I142 PolarHBondContact O-N 3.32Å; L127-A145 HydrophobicContact CB-CB 4.03Å; L127-L147 HydrophobicContact CB-CD1 4.28Å; L127-L147 HydrophobicContact CD1-CD1 3.77Å; L127-L155 HydrophobicContact CD1-CD1 4.4Å; L127-L155 HydrophobicContact CD2-CD1 4.3Å; L127-L157 HydrophobicContact CD2-CD1 4.49Å; L127-L166 HydrophobicContact CB-CD2 3.93Å; L127-L166 HydrophobicContact CD2-CD1 3.7Å; L127-L166 HydrophobicContact CD2-CD2 3.75Å; L127-L166 HydrophobicContact CD2-CG 4.31Å; L127-L166 HydrophobicContact CG-CD2 4.49Å
128	D	93.2	Very high	85.7	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123	-179.9	-40.7	-37.3	0	0	0	110.4	R100 I119 N121 T126 V130 V139 S141	R100-D128 IonicContact CZ-OD2 2.63Å; R100-D128 IonicContact NE-OD2 2.62Å; R100-D128 PolarHBondContact NE-OD2 2.88Å; R100-D128 IonicContact NH2-OD2 2.82Å; R100-D128 PolarHBondContact NH2-OD2 2.91Å; I119-D128 HydrophobicContact CB-CB 4.17Å; I119-D128 PolarHBondContact N-O 3.49Å; I119-D128 PolarHBondContact O-N 3.19Å; N121-D128 WeakPolarHBondContact CB-OD2 3.02Å; N121-D128 PolarHBondContact ND2-OD2 2.84Å; T126-D128 WeakPolarHBondContact CB-OD1 3.33Å; T126-D128 PolarHBondContact OG1-OD1 3.49Å; D128-V130 HydrophobicContact CB-CG2 4.17Å; D128-V139 HydrophobicContact CB-CG1 4.1Å; D128-S141 PolarHBondContact OD1-OG 2.9Å
129	L	93.4	Very high	85.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.5	165.2	-56.6	-179.1	0	0	0	108.3	F116 I118 V139 V140 I142 L157 I159 A164 L178	F116-L129 HydrophobicContact CZ-CD2 4.49Å; I118-L129 HydrophobicContact CB-CD2 4.33Å; I118-L129 HydrophobicContact CD1-CD2 4.24Å; I118-L129 HydrophobicContact CG1-CD2 3.81Å; I118-L129 HydrophobicContact CG2-CD2 4.05Å; L129-V139 WeakPolarHBondContact O-CA 3.48Å; L129-V140 HydrophobicContact CB-CB 4.39Å; L129-V140 PolarHBondContact N-O 2.79Å; L129-V140 PolarHBondContact O-N 2.93Å; L129-I142 HydrophobicContact CD1-CD1 4.4Å; L129-L157 HydrophobicContact CD2-CD2 4.03Å; L129-I159 HydrophobicContact CD1-CD1 4.25Å; L129-A164 HydrophobicContact CD1-CB 3.84Å; L129-L178 HydrophobicContact CD1-CD2 4.19Å
130	V	91.8	Very high	85.3	Confident	14 Å²	14	56 Å²	56	9%	0.085	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.3	-175.5	-178.9	0	0	0	0	109.8	P114 F116 E117 I119 D128 L137 Q138 V139	P114-V130 HydrophobicContact CG-CG1 4.47Å; F116-V130 CarbonylContact C-O 3.55Å; F116-V130 VanDerWaalsContact CA-O 3.3Å; F116-V130 WeakPolarHBondContact CA-O 3.45Å; E117-V130 HydrophobicContact CB-CB 4.31Å; E117-V130 PolarHBondContact N-O 3.13Å; E117-V130 PolarHBondContact O-N 3.08Å; I119-V130 HydrophobicContact CD1-CG2 3.76Å; I119-V130 HydrophobicContact CG1-CG2 4.39Å; D128-V130 HydrophobicContact CB-CG2 4.17Å; V130-L137 HydrophobicContact CG1-CD2 4.07Å; V130-Q138 WeakPolarHBondContact CA-O 3.25Å; V130-V139 HydrophobicContact CG1-CG2 4.27Å; V130-V139 HydrophobicContact CG2-CG1 4.13Å; V130-V139 HydrophobicContact CG2-CG2 4.09Å
131	Y	91.5	Very high	85.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.3	-178.5	59.6	-85.9	0	0	0	113.9	I115 T133 L137 Q138 V140 L178 D179 V180 L185	I115-Y131 CarbonylContact O-C 3.56Å; I115-Y131 WeakPolarHBondContact O-CA 3.5Å; I115-Y131 VanDerWaalsContact O-CB 3.25Å; I115-Y131 WeakPolarHBondContact O-CB 3.45Å; Y131-T133 HydrophobicContact CD2-CG2 4.17Å; Y131-T133 HydrophobicContact CE2-CG2 3.99Å; Y131-L137 CarbonylContact O-C 3.55Å; Y131-L137 WeakPolarHBondContact O-CA 3.04Å; Y131-Q138 HydrophobicContact CD1-CB 4.43Å; Y131-Q138 HydrophobicContact CD2-CB 4.15Å; Y131-Q138 HydrophobicContact CE1-CB 4Å; Y131-Q138 HydrophobicContact CE2-CB 3.72Å; Y131-Q138 HydrophobicContact CE2-CG 4.02Å; Y131-Q138 HydrophobicContact CG-CB 4.49Å; Y131-Q138 PolarHBondContact N-O 3.28Å; Y131-Q138 PolarHBondContact O-N 2.92Å; Y131-V140 HydrophobicContact CE1-CG2 4Å; Y131-L178 HydrophobicContact CD1-CD2 4.32Å; Y131-L178 HydrophobicContact CE1-CD2 3.71Å; Y131-D179 WeakPolarHBondContact OH-CB 3.3Å; Y131-D179 PolarHBondContact OH-N 2.89Å; Y131-D179 PolarHBondContact OH-OD1 2.93Å; Y131-V180 HydrophobicContact CE2-CG2 4.12Å; Y131-L185 HydrophobicContact CD1-CD1 4.44Å; Y131-L185 HydrophobicContact CD2-CD1 3.55Å; Y131-L185 HydrophobicContact CD2-CD2 3.72Å; Y131-L185 HydrophobicContact CD2-CG 4.29Å; Y131-L185 HydrophobicContact CE2-CD1 4.05Å; Y131-L185 HydrophobicContact CE2-CD2 4.45Å; Y131-L185 HydrophobicContact CG-CD1 3.76Å; Y131-L185 HydrophobicContact CG-CD2 4.42Å
132	S	84.1	Confident	84.9	Confident	29 Å²	29	57.2 Å²	57.2	20%	0.203	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.2	-177.4	-179.7	0	0	0	0	110.3	K108 P114 I115	K108-S132 PolarHBondContact NZ-OG 3.15Å; P114-S132 WeakPolarHBondContact O-CB 3.49Å; I115-S132 PolarHBondContact O-N 3.37Å
133	T	75.8	Confident	84.9	Confident	39 Å²	39	61.4 Å²	61.4	24%	0.239	31%	0.309	C	S	.	.			trans	-88.5	-177.8	163.3	68.2	0	0	0	0	109.7	Y131 R135 Q136 Q138 V180	Y131-T133 HydrophobicContact CD2-CG2 4.17Å; Y131-T133 HydrophobicContact CE2-CG2 3.99Å; T133-R135 PolarHBondContact O-N 3.45Å; T133-R135 PolarHBondContact OG1-N 2.03Å; T133-Q136 PolarHBondContact N-O 2.78Å; T133-Q136 PolarHBondContact OG1-N 2.72Å; T133-Q136 PolarHBondContact OG1-O 2.82Å; T133-Q138 HydrophobicContact CG2-CG 3.99Å; T133-V180 HydrophobicContact CG2-CG2 4.44Å
134	E	62.5	Low	84.7	Confident	203 Å²	203	58.2 Å²	58.2	95%	0.949	30%	0.301	S	S	*	.	S	Bend	trans	-69.7	-19.6	175.5	-61.7	-164.1	146.3	0	0	113.5
135	R	55.7	Low	84.6	Confident	195 Å²	195	55.4 Å²	55.4	74%	0.736	28%	0.278	S	S	*	.	S	Bend	trans	-104.1	-36.5	-174.1	-63	-176.7	-175.4	165.2	4.8	113.4	T133 D654	T133-R135 PolarHBondContact O-N 3.45Å; T133-R135 PolarHBondContact OG1-N 2.03Å; R135-D654 PolarHBondContact NH1-O 3.28Å
136	Q	75.2	Confident	84.3	Confident	117 Å²	117	53 Å²	53	55%	0.547	27%	0.268	S	S	.	.			trans	-160.9	-178.5	177.1	66.2	-170.6	11.7	0	0	114.2	T133	T133-Q136 PolarHBondContact N-O 2.78Å; T133-Q136 PolarHBondContact OG1-N 2.72Å; T133-Q136 PolarHBondContact OG1-O 2.82Å
137	L	81.4	Confident	84.2	Confident	95 Å²	95	52.9 Å²	52.9	50%	0.497	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.3	167	-90.1	160.6	0	0	0	109.5	P114 V130 Y131	P114-L137 HydrophobicContact CG-CD2 3.99Å; V130-L137 HydrophobicContact CG1-CD2 4.07Å; Y131-L137 CarbonylContact O-C 3.55Å; Y131-L137 WeakPolarHBondContact O-CA 3.04Å
138	Q	87.5	Confident	83.9	Confident	43 Å²	43	53.4 Å²	53.4	20%	0.201	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	154.9	175	-57.6	-63.6	55.5	0	0	111.2	V130 Y131 T133 D179	V130-Q138 WeakPolarHBondContact CA-O 3.25Å; Y131-Q138 HydrophobicContact CD1-CB 4.43Å; Y131-Q138 HydrophobicContact CD2-CB 4.15Å; Y131-Q138 HydrophobicContact CE1-CB 4Å; Y131-Q138 HydrophobicContact CE2-CB 3.72Å; Y131-Q138 HydrophobicContact CE2-CG 4.02Å; Y131-Q138 HydrophobicContact CG-CB 4.49Å; Y131-Q138 PolarHBondContact N-O 3.28Å; Y131-Q138 PolarHBondContact O-N 2.92Å; T133-Q138 HydrophobicContact CG2-CG 3.99Å; Q138-D179 VanDerWaalsContact CD-OD2 3.31Å; Q138-D179 WeakPolarHBondContact CG-OD2 3.37Å; Q138-D179 PolarHBondContact NE2-OD2 2.04Å
139	V	89.3	Confident	83.6	Confident	80 Å²	80	55.6 Å²	55.6	49%	0.485	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	112.8	179.8	-176.2	0	0	0	0	109.3	D128 L129 V130	D128-V139 HydrophobicContact CB-CG1 4.1Å; L129-V139 WeakPolarHBondContact O-CA 3.48Å; V130-V139 HydrophobicContact CG1-CG2 4.27Å; V130-V139 HydrophobicContact CG2-CG1 4.13Å; V130-V139 HydrophobicContact CG2-CG2 4.09Å
140	V	90.1	Very high	83.2	Confident	19 Å²	19	56.7 Å²	56.7	12%	0.115	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.8	171.7	172.1	0	0	0	0	107.6	L129 Y131 E177 L178	L129-V140 HydrophobicContact CB-CB 4.39Å; L129-V140 PolarHBondContact N-O 2.79Å; L129-V140 PolarHBondContact O-N 2.93Å; Y131-V140 HydrophobicContact CE1-CG2 4Å; V140-E177 WeakPolarHBondContact CG2-O 3.46Å; V140-L178 HydrophobicContact CB-CD2 4.31Å; V140-L178 HydrophobicContact CG2-CD2 4.17Å
141	S	90.8	Very high	83	Confident	46 Å²	46	61.7 Å²	61.7	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.7	-177.5	-76.3	0	0	0	0	111	D128 E143	D128-S141 PolarHBondContact OD1-OG 2.9Å; S141-E143 PolarHBondContact O-N 2.63Å
142	I	87.8	Confident	82.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.7	173.3	-54.5	-178.8	0	0	0	108.1	T126 L127 L129 L157 L166 N174	T126-I142 CarbonylContact C-O 3.6Å; T126-I142 WeakPolarHBondContact CA-O 3.34Å; T126-I142 WeakPolarHBondContact CB-O 3.04Å; L127-I142 HydrophobicContact CB-CB 4.39Å; L127-I142 PolarHBondContact N-O 3.05Å; L127-I142 PolarHBondContact O-N 3.32Å; L129-I142 HydrophobicContact CD1-CD1 4.4Å; I142-L157 HydrophobicContact CD1-CD1 4.25Å; I142-L166 HydrophobicContact CB-CD2 4.14Å; I142-L166 HydrophobicContact CD1-CB 3.82Å; I142-L166 HydrophobicContact CD1-CD2 4.35Å; I142-L166 HydrophobicContact CG2-CB 4.01Å; I142-L166 HydrophobicContact CG2-CD2 3.65Å; I142-L166 HydrophobicContact CG2-CG 4.46Å; I142-N174 HydrophobicContact CG2-CB 3.87Å
143	E	87.3	Confident	83.1	Confident	100 Å²	100	67.1 Å²	67.1	47%	0.467	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	166.1	-176.3	-49.3	-152	141.2	0	0	113.1	T126 S141 A145 I173	T126-E143 HydrophobicContact CG2-CB 4.47Å; T126-E143 HydrophobicContact CG2-CG 4.13Å; S141-E143 PolarHBondContact O-N 2.63Å; E143-A145 PolarHBondContact O-N 3.4Å; E143-I173 WeakPolarHBondContact O-CG2 3.34Å
144	D	81.9	Confident	83.5	Confident	110 Å²	110	66.4 Å²	66.4	59%	0.588	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	20.4	-178.8	-76.1	-37.8	0	0	0	119.9	N125 G146	N125-D144 PolarHBondContact ND2-OD1 3.23Å; D144-G146 PolarHBondContact O-N 2.77Å
145	A	83.2	Confident	84.7	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	28%	0.283	C	S	.	.			trans	-53.1	-22	177.3	0	0	0	0	0	115.3	N125 L127 E143 L147 L166	N125-A145 PolarHBondContact O-N 3.03Å; L127-A145 HydrophobicContact CB-CB 4.03Å; E143-A145 PolarHBondContact O-N 3.4Å; A145-L147 HydrophobicContact CB-CD1 4.07Å; A145-L147 HydrophobicContact CB-CG 3.88Å; A145-L147 WeakPolarHBondContact O-CD2 3.41Å; A145-L147 VanDerWaalsContact O-CG 3.32Å; A145-L147 WeakPolarHBondContact O-CG 3.44Å; A145-L147 PolarHBondContact O-N 3.48Å; A145-L166 HydrophobicContact CB-CD2 3.76Å
146	G	84.1	Confident	86.1	Confident	12 Å²	12	47.6 Å²	47.6	12%	0.124	25%	0.248	C	C	.	.			trans	62.6	20.8	165.2	0	0	0	0	0	115.5	N125 D144 R153	N125-G146 WeakPolarHBondContact OD1-CA 3.09Å; N125-G146 PolarHBondContact OD1-N 3.02Å; D144-G146 PolarHBondContact O-N 2.77Å; G146-R153 PolarHBondContact O-NE 3.24Å; G146-R153 VanDerWaalsContact O-NE 3.13Å; G146-R153 PolarHBondContact O-NH2 3.43Å
147	L	87.5	Confident	86.6	Confident	3 Å²	3	42 Å²	42	2%	0.016	22%	0.222	C	C	.	.			trans	-79.6	-44.5	-166.9	-61.2	179.4	0	0	0	113.6	L93 S120 L127 A145 N149 R153 L155 V168	L93-L147 HydrophobicContact CD1-CB 4.36Å; L93-L147 HydrophobicContact CD2-CD2 4.26Å; S120-L147 WeakPolarHBondContact OG-CB 3.33Å; L127-L147 HydrophobicContact CB-CD1 4.28Å; L127-L147 HydrophobicContact CD1-CD1 3.77Å; A145-L147 HydrophobicContact CB-CD1 4.07Å; A145-L147 HydrophobicContact CB-CG 3.88Å; A145-L147 WeakPolarHBondContact O-CD2 3.41Å; A145-L147 VanDerWaalsContact O-CG 3.32Å; A145-L147 WeakPolarHBondContact O-CG 3.44Å; A145-L147 PolarHBondContact O-N 3.48Å; L147-N149 PolarHBondContact O-N 2.87Å; L147-R153 HydrophobicContact CD2-CB 4.43Å; L147-L155 HydrophobicContact CD1-CD1 3.83Å; L147-L155 HydrophobicContact CD2-CD1 4.09Å; L147-V168 HydrophobicContact CD2-CB 4.45Å; L147-V168 HydrophobicContact CD2-CG1 3.81Å; L147-V168 HydrophobicContact CD2-CG2 3.7Å
148	A	88.9	Confident	86.7	Confident	11 Å²	11	38.5 Å²	38.5	9%	0.091	20%	0.202	C	C	.	.			trans	-88.6	44.3	-170.1	0	0	0	0	0	113	Q95 K97 K98	Q95-A148 HydrophobicContact CB-CB 4.46Å; Q95-A148 HydrophobicContact CG-CB 3.95Å; K97-A148 VanDerWaalsContact CA-O 3.3Å; K97-A148 WeakPolarHBondContact CA-O 3.36Å; K98-A148 PolarHBondContact N-O 3.44Å
149	N	86.1	Confident	86.5	Confident	50 Å²	50	36.4 Å²	36.4	27%	0.267	19%	0.193	S	C	.	.	S	Bend	trans	-95.9	-2.4	-175.6	73.5	6	0	0	0	114.2	K97 L147 H151 R153	K97-N149 WeakPolarHBondContact CE-O 3.49Å; K97-N149 WeakPolarHBondContact CG-O 3.46Å; L147-N149 PolarHBondContact O-N 2.87Å; N149-H151 PolarHBondContact O-CD2 3.27Å; N149-H151 WeakPolarHBondContact OD1-CB 3.23Å; N149-H151 PolarHBondContact OD1-N 3.37Å; N149-R153 PolarHBondContact ND2-NE 2.03Å
150	G	84.1	Confident	86.2	Confident	23 Å²	23	33.3 Å²	33.3	24%	0.237	17%	0.173	C	C	.	.	S	Bend	trans	84.3	1.3	-178.7	0	0	0	0	0	115.8	K94 Q95	K94-G150 WeakPolarHBondContact CE-O 3.46Å; Q95-G150 VanDerWaalsContact O-CA 3.24Å; Q95-G150 WeakPolarHBondContact O-CA 3.49Å; Q95-G150 PolarHBondContact O-N 2.79Å; Q95-G150 VanDerWaalsContact O-N 3.15Å
151	H	88.3	Confident	85.7	Confident	120 Å²	120	34 Å²	34	56%	0.556	18%	0.176	S	C	*	.	S	Bend	trans	-100.7	176.4	172.2	-64.6	-107.7	0	0	0	110.2	K94 N149	K94-H151 WeakPolarHBondContact CA-O 3.29Å; K94-H151 WeakPolarHBondContact CG-O 3.2Å; N149-H151 PolarHBondContact O-CD2 3.27Å; N149-H151 WeakPolarHBondContact OD1-CB 3.23Å; N149-H151 PolarHBondContact OD1-N 3.37Å
152	W	88.9	Confident	85.3	Confident	64 Å²	64	34.8 Å²	34.8	24%	0.242	18%	0.177	C	C	.	.			trans	-78.9	138.5	168.6	-79.5	114.4	0	0	0	109.2	A57 N92 L93 K94 V210 Q212	A57-W152 HydrophobicContact CB-CH2 4.24Å; N92-W152 HydrophobicContact CB-CZ3 4.4Å; L93-W152 VanDerWaalsContact C-CE3 3.47Å; L93-W152 WeakPolarHBondContact O-CA 3.23Å; K94-W152 HydrophobicContact CB-CD2 3.7Å; K94-W152 HydrophobicContact CB-CE3 3.68Å; K94-W152 HydrophobicContact CB-CG 4.26Å; K94-W152 HydrophobicContact CB-CH2 4.34Å; K94-W152 HydrophobicContact CB-CZ2 4.36Å; K94-W152 HydrophobicContact CB-CZ3 4.01Å; K94-W152 HydrophobicContact CD-CD2 4.09Å; K94-W152 HydrophobicContact CD-CG 4.1Å; K94-W152 HydrophobicContact CG-CD2 4.5Å; W152-V210 HydrophobicContact CH2-CB 3.87Å; W152-V210 HydrophobicContact CH2-CG1 3.56Å; W152-V210 HydrophobicContact CZ2-CB 4.37Å; W152-V210 HydrophobicContact CZ2-CG1 4.14Å; W152-V210 HydrophobicContact CZ3-CB 4.49Å; W152-V210 HydrophobicContact CZ3-CG1 4.46Å; W152-Q212 HydrophobicContact CH2-CB 4.29Å; W152-Q212 HydrophobicContact CZ3-CB 4.26Å
153	R	88.1	Confident	84.8	Confident	78 Å²	78	40 Å²	40	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.4	168.2	-66.3	-62.3	-155.1	172.4	11.2	108.7	N92 L93 G146 L147 N149 V168	N92-R153 WeakPolarHBondContact CA-O 3.39Å; L93-R153 HydrophobicContact CD2-CB 3.92Å; L93-R153 PolarHBondContact N-O 3.29Å; L93-R153 PolarHBondContact O-N 2.71Å; G146-R153 PolarHBondContact O-NE 3.24Å; G146-R153 VanDerWaalsContact O-NE 3.13Å; G146-R153 PolarHBondContact O-NH2 3.43Å; L147-R153 HydrophobicContact CD2-CB 4.43Å; N149-R153 PolarHBondContact ND2-NE 2.03Å; R153-V168 HydrophobicContact CB-CG1 4.24Å; R153-V168 HydrophobicContact CG-CG1 4.25Å
154	N	85.4	Confident	84.6	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.134	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.2	161.5	-173.4	42.6	0	0	0	107.2	N92 V168 G169 T268 C270	N92-N154 PolarHBondContact ND2-OD1 3.44Å; N154-V168 WeakPolarHBondContact O-CA 3.47Å; N154-G169 PolarHBondContact O-N 3.06Å; N154-T268 PolarHBondContact ND2-O 2.89Å; N154-C270 PolarHBondContact ND2-SG 2.72Å
155	L	87.3	Confident	84.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.7	179.1	-178.7	162	0	0	0	108	L91 L93 L103 L127 L147 L157 L166	L91-L155 HydrophobicContact CD1-CB 4.04Å; L91-L155 HydrophobicContact CD1-CD1 4.28Å; L91-L155 HydrophobicContact CD2-CD2 4.26Å; L91-L155 HydrophobicContact CG-CB 4.13Å; L91-L155 HydrophobicContact CG-CD2 4.12Å; L91-L155 PolarHBondContact N-O 3.43Å; L91-L155 PolarHBondContact O-N 3.14Å; L93-L155 HydrophobicContact CD2-CB 4Å; L93-L155 HydrophobicContact CD2-CD1 4.41Å; L103-L155 HydrophobicContact CD1-CD1 4.07Å; L127-L155 HydrophobicContact CD1-CD1 4.4Å; L127-L155 HydrophobicContact CD2-CD1 4.3Å; L147-L155 HydrophobicContact CD1-CD1 3.83Å; L147-L155 HydrophobicContact CD2-CD1 4.09Å; L155-L157 HydrophobicContact CD2-CB 3.8Å; L155-L166 HydrophobicContact CD1-CD1 4.19Å; L155-L166 HydrophobicContact CD2-CD1 4.1Å; L155-L166 HydrophobicContact CG-CD1 3.8Å
156	T	84.6	Confident	84.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.9	170.2	-63.4	0	0	0	0	106.9	L88 L89 L90 F167	L88-T156 HydrophobicContact CD1-CG2 3.74Å; L89-T156 WeakPolarHBondContact O-CA 3.36Å; L90-T156 HydrophobicContact CD2-CG2 3.71Å; L90-T156 WeakPolarHBondContact CD2-OG1 3Å; T156-F167 PolarHBondContact N-O 2.91Å; T156-F167 PolarHBondContact O-N 3.2Å
157	L	86.4	Confident	84.5	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.7	177	176.5	72.7	0	0	0	107.3	L89 I118 L127 L129 I142 L155 I159 Q165 L166	L89-L157 HydrophobicContact CB-CB 4.34Å; L89-L157 HydrophobicContact CD2-CB 4.48Å; L89-L157 HydrophobicContact CD2-CD2 4.15Å; L89-L157 PolarHBondContact N-O 3.29Å; L89-L157 PolarHBondContact O-N 2.91Å; I118-L157 HydrophobicContact CD1-CD2 3.73Å; L127-L157 HydrophobicContact CD2-CD1 4.49Å; L129-L157 HydrophobicContact CD2-CD2 4.03Å; I142-L157 HydrophobicContact CD1-CD1 4.25Å; L155-L157 HydrophobicContact CD2-CB 3.8Å; L157-I159 HydrophobicContact CD1-CG1 4.5Å; L157-I159 HydrophobicContact CD2-CD1 4.13Å; L157-I159 HydrophobicContact CD2-CG1 4.37Å; L157-I159 HydrophobicContact CG-CD1 4.4Å; L157-I159 HydrophobicContact CG-CG1 4.11Å; L157-Q165 WeakPolarHBondContact CA-O 3.42Å; L157-L166 HydrophobicContact CB-CD1 4.45Å; L157-L166 HydrophobicContact CD1-CB 4.33Å; L157-L166 HydrophobicContact CD1-CD1 4.35Å
158	F	83.7	Confident	84.3	Confident	21 Å²	21	32 Å²	32	9%	0.092	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.8	173.8	179	-119.5	0	0	0	108.2	L88 Q160 A164 Q165 F272 M280	L88-F158 HydrophobicContact CD1-CB 3.93Å; L88-F158 HydrophobicContact CD1-CD2 4.01Å; L88-F158 HydrophobicContact CD1-CG 4.41Å; F158-Q160 HydrophobicContact CE1-CB 3.84Å; F158-Q160 HydrophobicContact CE2-CB 4.31Å; F158-Q160 HydrophobicContact CZ-CB 3.63Å; F158-Q160 HydrophobicContact CZ-CG 4.31Å; F158-Q160 VanDerWaalsContact CZ-OE1 3.28Å; F158-A164 CarbonylContact O-C 3.46Å; F158-A164 WeakPolarHBondContact O-CA 3.46Å; F158-Q165 HydrophobicContact CB-CB 4.43Å; F158-Q165 PolarHBondContact N-O 3.39Å; F158-Q165 PolarHBondContact O-N 3.45Å; F158-F272 HydrophobicContact CB-CZ 4.31Å; F158-F272 HydrophobicContact CD1-CZ 4.48Å; F158-F272 HydrophobicContact CG-CZ 4.47Å; F158-M280 HydrophobicContact CD2-SD 4.43Å; F158-M280 HydrophobicContact CE1-CE 4.19Å; F158-M280 HydrophobicContact CE1-CG 4.48Å; F158-M280 HydrophobicContact CE2-CE 4.29Å; F158-M280 HydrophobicContact CE2-CG 4.19Å; F158-M280 HydrophobicContact CE2-SD 3.75Å; F158-M280 HydrophobicContact CZ-CE 4.05Å; F158-M280 HydrophobicContact CZ-CG 3.71Å; F158-M280 HydrophobicContact CZ-SD 3.78Å
159	I	83.7	Confident	83.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.5	170.6	-48.5	-171.9	0	0	0	108.3	G86 F87 F116 L129 L157 R163 A164 L178 I182	G86-I159 CarbonylContact C-O 3.56Å; G86-I159 WeakPolarHBondContact CA-O 3.38Å; F87-I159 HydrophobicContact CE1-CD1 4.4Å; F87-I159 HydrophobicContact CE2-CD1 4.12Å; F87-I159 HydrophobicContact CE2-CG1 4.19Å; F87-I159 HydrophobicContact CZ-CB 4.4Å; F87-I159 HydrophobicContact CZ-CD1 3.7Å; F87-I159 HydrophobicContact CZ-CG1 4.15Å; F87-I159 PolarHBondContact N-O 3.05Å; F87-I159 PolarHBondContact O-N 2.83Å; F116-I159 HydrophobicContact CZ-CD1 3.96Å; L129-I159 HydrophobicContact CD1-CD1 4.25Å; L157-I159 HydrophobicContact CD1-CG1 4.5Å; L157-I159 HydrophobicContact CD2-CD1 4.13Å; L157-I159 HydrophobicContact CD2-CG1 4.37Å; L157-I159 HydrophobicContact CG-CD1 4.4Å; L157-I159 HydrophobicContact CG-CG1 4.11Å; I159-R163 VanDerWaalsContact CA-O 3.3Å; I159-R163 WeakPolarHBondContact CA-O 3.46Å; I159-A164 HydrophobicContact CD1-CB 4.31Å; I159-A164 HydrophobicContact CG1-CB 3.98Å; I159-A164 HydrophobicContact CG2-CB 4.4Å; I159-L178 HydrophobicContact CG2-CD1 3.9Å; I159-I182 HydrophobicContact CG2-CB 3.79Å; I159-I182 HydrophobicContact CG2-CG1 3.99Å; I159-I182 HydrophobicContact CG2-CG2 3.91Å
160	Q	81.1	Confident	82.3	Confident	15 Å²	15	34.4 Å²	34.4	7%	0.07	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.1	179.1	-178.3	-167.9	-1	0	0	109.5	F158 D162 R163	F158-Q160 HydrophobicContact CE1-CB 3.84Å; F158-Q160 HydrophobicContact CE2-CB 4.31Å; F158-Q160 HydrophobicContact CZ-CB 3.63Å; F158-Q160 HydrophobicContact CZ-CG 4.31Å; F158-Q160 VanDerWaalsContact CZ-OE1 3.28Å; Q160-D162 PolarHBondContact O-N 3.43Å; Q160-D162 VanDerWaalsContact O-N 3.16Å; Q160-R163 PolarHBondContact N-O 3.46Å; Q160-R163 PolarHBondContact O-N 2.95Å
161	D	80.8	Confident	81.4	Confident	34 Å²	34	39.8 Å²	39.8	18%	0.182	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-115.5	-165.4	-69.1	-83.7	0	0	0	109.7	R85 P181 I182 Q183	R85-D161 WeakPolarHBondContact CD-OD1 3.39Å; R85-D161 IonicContact CZ-OD1 3.66Å; R85-D161 IonicContact NH1-OD1 2.84Å; R85-D161 PolarHBondContact NH1-OD1 3.44Å; R85-D161 IonicContact NH1-OD2 3.68Å; R85-D161 PolarHBondContact O-N 2.82Å; D161-P181 HydrophobicContact CB-CB 4.33Å; D161-P181 CarbonylContact O-C 3.55Å; D161-P181 WeakPolarHBondContact O-CA 3.44Å; D161-I182 WeakPolarHBondContact O-CG2 3.2Å; D161-I182 PolarHBondContact O-N 2.96Å; D161-Q183 PolarHBondContact OD1-NE2 3.12Å
162	D	81.4	Confident	80.4	Confident	62 Å²	62	37.5 Å²	37.5	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-19.4	177.8	36.1	34.2	0	0	0	114.3	Q160 L178 P181	Q160-D162 PolarHBondContact O-N 3.43Å; Q160-D162 VanDerWaalsContact O-N 3.16Å; D162-L178 WeakPolarHBondContact CB-O 3.07Å; D162-L178 WeakPolarHBondContact O-CB 3.29Å; D162-L178 WeakPolarHBondContact O-CG 3.02Å; D162-L178 PolarHBondContact O-N 2.04Å; D162-P181 HydrophobicContact CB-CG 4.45Å
163	R	78.8	Confident	79.8	Confident	110 Å²	110	35.6 Å²	35.6	42%	0.415	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.5	-174	-58	-178	-60.9	-178.3	2.4	112.3	I159 Q160 E177	I159-R163 VanDerWaalsContact CA-O 3.3Å; I159-R163 WeakPolarHBondContact CA-O 3.46Å; Q160-R163 PolarHBondContact N-O 3.46Å; Q160-R163 PolarHBondContact O-N 2.95Å; R163-E177 HydrophobicContact CG-CG 4.43Å
164	A	83.4	Confident	79	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.7	172.9	0	0	0	0	0	111.6	L129 F158 I159 V175 S176	L129-A164 HydrophobicContact CD1-CB 3.84Å; F158-A164 CarbonylContact O-C 3.46Å; F158-A164 WeakPolarHBondContact O-CA 3.46Å; I159-A164 HydrophobicContact CD1-CB 4.31Å; I159-A164 HydrophobicContact CG1-CB 3.98Å; I159-A164 HydrophobicContact CG2-CB 4.4Å; A164-V175 CarbonylContact O-C 3.54Å; A164-V175 WeakPolarHBondContact O-CA 3.17Å; A164-S176 WeakPolarHBondContact CA-O 3.45Å; A164-S176 WeakPolarHBondContact CB-O 3.41Å; A164-S176 PolarHBondContact N-O 3.38Å; A164-S176 PolarHBondContact O-N 3.08Å; A164-S176 VanDerWaalsContact O-O 3.12Å
165	Q	81.3	Confident	78.5	Confident	45 Å²	45	34.7 Å²	34.7	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128	-178.7	-56	-173.6	-50.6	0	0	111.1	L157 F158 F167 V175	L157-Q165 WeakPolarHBondContact CA-O 3.42Å; F158-Q165 HydrophobicContact CB-CB 4.43Å; F158-Q165 PolarHBondContact N-O 3.39Å; F158-Q165 PolarHBondContact O-N 3.45Å; Q165-F167 HydrophobicContact CB-CE2 3.97Å; Q165-V175 HydrophobicContact CG-CG1 4.16Å; Q165-V175 HydrophobicContact CG-CG2 4.08Å
166	L	84.9	Confident	78.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.1	-178	179.3	63.1	0	0	0	112.6	L127 I142 A145 L155 L157 V168 I173 N174	L127-L166 HydrophobicContact CB-CD2 3.93Å; L127-L166 HydrophobicContact CD2-CD1 3.7Å; L127-L166 HydrophobicContact CD2-CD2 3.75Å; L127-L166 HydrophobicContact CD2-CG 4.31Å; L127-L166 HydrophobicContact CG-CD2 4.49Å; I142-L166 HydrophobicContact CB-CD2 4.14Å; I142-L166 HydrophobicContact CD1-CB 3.82Å; I142-L166 HydrophobicContact CD1-CD2 4.35Å; I142-L166 HydrophobicContact CG2-CB 4.01Å; I142-L166 HydrophobicContact CG2-CD2 3.65Å; I142-L166 HydrophobicContact CG2-CG 4.46Å; A145-L166 HydrophobicContact CB-CD2 3.76Å; L155-L166 HydrophobicContact CD1-CD1 4.19Å; L155-L166 HydrophobicContact CD2-CD1 4.1Å; L155-L166 HydrophobicContact CG-CD1 3.8Å; L157-L166 HydrophobicContact CB-CD1 4.45Å; L157-L166 HydrophobicContact CD1-CB 4.33Å; L157-L166 HydrophobicContact CD1-CD1 4.35Å; L166-V168 HydrophobicContact CD1-CG2 4.14Å; L166-V168 HydrophobicContact CD2-CG2 4.26Å; L166-V168 HydrophobicContact CG-CG2 4.04Å; L166-I173 HydrophobicContact CD2-CB 4.44Å; L166-I173 HydrophobicContact CG-CB 4.42Å; L166-I173 PolarHBondContact O-N 2.91Å; L166-N174 PolarHBondContact N-O 2.85Å
167	F	80.7	Confident	78.2	Confident	9 Å²	9	41.9 Å²	41.9	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.9	170.5	-55.6	-99.4	0	0	0	110.7	T156 Q165 E171 E172 F272	T156-F167 PolarHBondContact N-O 2.91Å; T156-F167 PolarHBondContact O-N 3.2Å; Q165-F167 HydrophobicContact CB-CE2 3.97Å; F167-E171 CarbonylContact C-O 3.46Å; F167-E171 VanDerWaalsContact CA-O 3.22Å; F167-E171 WeakPolarHBondContact CA-O 3.3Å; F167-E172 HydrophobicContact CD1-CB 3.84Å; F167-E172 HydrophobicContact CD1-CG 4.28Å; F167-E172 HydrophobicContact CE1-CB 3.68Å; F167-E172 HydrophobicContact CE1-CG 3.81Å; F167-E172 HydrophobicContact CZ-CG 4.26Å; F167-F272 HydrophobicContact CD2-CE2 4.31Å; F167-F272 HydrophobicContact CD2-CZ 4.31Å; F167-F272 AromaticContact CE2-CE1 3.99Å; F167-F272 HydrophobicContact CE2-CE1 3.99Å; F167-F272 AromaticContact CE2-CE2 3.75Å; F167-F272 HydrophobicContact CE2-CE2 3.75Å; F167-F272 AromaticContact CE2-CZ 3.37Å; F167-F272 HydrophobicContact CE2-CZ 3.37Å; F167-F272 HydrophobicContact CZ-CD1 4.38Å; F167-F272 AromaticContact CZ-CE1 3.82Å; F167-F272 HydrophobicContact CZ-CE1 3.82Å; F167-F272 HydrophobicContact CZ-CE2 4.14Å; F167-F272 AromaticContact CZ-CZ 3.68Å; F167-F272 HydrophobicContact CZ-CZ 3.68Å
168	V	81.8	Confident	77.9	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.7	179.7	179.9	0	0	0	0	109.4	L147 R153 N154 L166 C170 E171 I173	L147-V168 HydrophobicContact CD2-CB 4.45Å; L147-V168 HydrophobicContact CD2-CG1 3.81Å; L147-V168 HydrophobicContact CD2-CG2 3.7Å; R153-V168 HydrophobicContact CB-CG1 4.24Å; R153-V168 HydrophobicContact CG-CG1 4.25Å; N154-V168 WeakPolarHBondContact O-CA 3.47Å; L166-V168 HydrophobicContact CD1-CG2 4.14Å; L166-V168 HydrophobicContact CD2-CG2 4.26Å; L166-V168 HydrophobicContact CG-CG2 4.04Å; V168-C170 PolarHBondContact O-N 3.5Å; V168-E171 PolarHBondContact N-O 2.9Å; V168-E171 PolarHBondContact O-N 2.04Å; V168-E171 VanDerWaalsContact O-N 3.16Å; V168-I173 HydrophobicContact CB-CD1 4.11Å; V168-I173 HydrophobicContact CB-CG1 3.82Å; V168-I173 HydrophobicContact CG2-CD1 4.49Å; V168-I173 HydrophobicContact CG2-CG1 3.71Å
169	G	69.5	Low	77.6	Confident	42 Å²	42	45.8 Å²	45.8	43%	0.433	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	12	-177.8	0	0	0	0	0	115.1	N154	N154-G169 PolarHBondContact O-N 3.06Å
170	C	65.3	Low	77.6	Confident	71 Å²	71	47.9 Å²	47.9	48%	0.48	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	7	-170.2	-56.1	0	0	0	0	117	V168 C270	V168-C170 PolarHBondContact O-N 3.5Å; C170-C270 WeakPolarHBondContact CA-SG 3.39Å; C170-C270 HydrophobicContact CB-CB 3.67Å; C170-C270 WeakPolarHBondContact CB-SG 3.39Å; C170-C270 PolarHBondContact N-SG 3.28Å; C170-C270 WeakPolarHBondContact SG-CA 3.05Å; C170-C270 WeakPolarHBondContact SG-CB 3.49Å; C170-C270 CovalentContact SG-SG 2.04Å; C170-C270 PolarHBondContact SG-SG 2.85Å
171	E	63.4	Low	77.7	Confident	136 Å²	136	48.9 Å²	48.9	64%	0.636	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.7	164.6	-70.9	153.8	-174.7	0	0	109.9	F167 V168	F167-E171 CarbonylContact C-O 3.46Å; F167-E171 VanDerWaalsContact CA-O 3.22Å; F167-E171 WeakPolarHBondContact CA-O 3.3Å; V168-E171 PolarHBondContact N-O 2.9Å; V168-E171 PolarHBondContact O-N 2.04Å; V168-E171 VanDerWaalsContact O-N 3.16Å
172	E	68.4	Low	77.9	Confident	71 Å²	71	47.3 Å²	47.3	33%	0.332	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.6	173.9	-175.1	171.8	-153.6	0	0	109.3	F167 K1100 R1132	F167-E172 HydrophobicContact CD1-CB 3.84Å; F167-E172 HydrophobicContact CD1-CG 4.28Å; F167-E172 HydrophobicContact CE1-CB 3.68Å; F167-E172 HydrophobicContact CE1-CG 3.81Å; F167-E172 HydrophobicContact CZ-CG 4.26Å; E172-K1100 IonicContact OE2-NZ 3.3Å; E172-K1100 PolarHBondContact OE2-NZ 3.31Å; E172-R1132 PolarHBondContact O-NH2 2.78Å
173	I	75.9	Confident	78	Confident	24 Å²	24	45.6 Å²	45.6	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-59.2	-176.4	-55.9	-54.2	0	0	0	110.5	E143 L166 V168 R1132	E143-I173 WeakPolarHBondContact O-CG2 3.34Å; L166-I173 HydrophobicContact CD2-CB 4.44Å; L166-I173 HydrophobicContact CG-CB 4.42Å; L166-I173 PolarHBondContact O-N 2.91Å; V168-I173 HydrophobicContact CB-CD1 4.11Å; V168-I173 HydrophobicContact CB-CG1 3.82Å; V168-I173 HydrophobicContact CG2-CD1 4.49Å; V168-I173 HydrophobicContact CG2-CG1 3.71Å; I173-R1132 PolarHBondContact O-NE 3.34Å; I173-R1132 VanDerWaalsContact O-NE 3.1Å; I173-R1132 PolarHBondContact O-NH2 3.33Å
174	N	71.3	Confident	78.3	Confident	37 Å²	37	44 Å²	44	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	162.6	170.6	-144.7	-4.6	0	0	0	111.9	I142 L166	I142-N174 HydrophobicContact CG2-CB 3.87Å; L166-N174 PolarHBondContact N-O 2.85Å
175	V	75.2	Confident	78.4	Confident	47 Å²	47	44.6 Å²	44.6	29%	0.285	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.4	159.3	-173.7	0	0	0	0	107.9	A164 Q165	A164-V175 CarbonylContact O-C 3.54Å; A164-V175 WeakPolarHBondContact O-CA 3.17Å; Q165-V175 HydrophobicContact CG-CG1 4.16Å; Q165-V175 HydrophobicContact CG-CG2 4.08Å
176	S	82.1	Confident	78.6	Confident	23 Å²	23	42.7 Å²	42.7	16%	0.161	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.7	172.4	-59.4	0	0	0	0	109.6	A164	A164-S176 WeakPolarHBondContact CA-O 3.45Å; A164-S176 WeakPolarHBondContact CB-O 3.41Å; A164-S176 PolarHBondContact N-O 3.38Å; A164-S176 PolarHBondContact O-N 3.08Å; A164-S176 VanDerWaalsContact O-O 3.12Å
177	E	83.1	Confident	78.6	Confident	131 Å²	131	44.6 Å²	44.6	61%	0.612	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	151.7	-177.6	-66.8	175	165.5	0	0	111	V140 R163	V140-E177 WeakPolarHBondContact CG2-O 3.46Å; R163-E177 HydrophobicContact CG-CG 4.43Å
178	L	79.5	Confident	78.3	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.037	28%	0.277	C	S	.	.			trans	-103.6	136.9	175.6	-56.6	171.6	0	0	0	108.6	L129 Y131 V140 I159 D162 V180 I182	L129-L178 HydrophobicContact CD1-CD2 4.19Å; Y131-L178 HydrophobicContact CD1-CD2 4.32Å; Y131-L178 HydrophobicContact CE1-CD2 3.71Å; V140-L178 HydrophobicContact CB-CD2 4.31Å; V140-L178 HydrophobicContact CG2-CD2 4.17Å; I159-L178 HydrophobicContact CG2-CD1 3.9Å; D162-L178 WeakPolarHBondContact CB-O 3.07Å; D162-L178 WeakPolarHBondContact O-CB 3.29Å; D162-L178 WeakPolarHBondContact O-CG 3.02Å; D162-L178 PolarHBondContact O-N 2.04Å; L178-V180 PolarHBondContact O-N 2.75Å; L178-I182 HydrophobicContact CD1-CB 4.4Å; L178-I182 HydrophobicContact CD1-CD1 4.34Å
179	D	79.2	Confident	78.2	Confident	95 Å²	95	55.2 Å²	55.2	51%	0.508	30%	0.297	S	S	.	.	S	Bend	trans	-54.3	-20.8	178.2	-47.3	4.9	0	0	0	114	Y131 Q138	Y131-D179 WeakPolarHBondContact OH-CB 3.3Å; Y131-D179 PolarHBondContact OH-N 2.89Å; Y131-D179 PolarHBondContact OH-OD1 2.93Å; Q138-D179 VanDerWaalsContact CD-OD2 3.31Å; Q138-D179 WeakPolarHBondContact CG-OD2 3.37Å; Q138-D179 PolarHBondContact NE2-OD2 2.04Å
180	V	82.3	Confident	78.8	Confident	45 Å²	45	54.7 Å²	54.7	27%	0.273	28%	0.284	S	S	.	.	S	Bend	trans	-144.5	142.6	177.7	-72.7	0	0	0	0	111	Y131 T133 L178 L185	Y131-V180 HydrophobicContact CE2-CG2 4.12Å; T133-V180 HydrophobicContact CG2-CG2 4.44Å; L178-V180 PolarHBondContact O-N 2.75Å; V180-L185 HydrophobicContact CG2-CD1 3.94Å; V180-L185 HydrophobicContact CG2-CD2 3.63Å; V180-L185 HydrophobicContact CG2-CG 3.68Å
181	P	84.3	Confident	79.4	Confident	36 Å²	36	51.6 Å²	51.6	23%	0.234	26%	0.264	C	S	.	.			trans	-59	141.3	179.4	-27.6	35.7	0	0	0	113.8	D161 D162 Q183 T184	D161-P181 HydrophobicContact CB-CB 4.33Å; D161-P181 CarbonylContact O-C 3.55Å; D161-P181 WeakPolarHBondContact O-CA 3.44Å; D162-P181 HydrophobicContact CB-CG 4.45Å; P181-Q183 PolarHBondContact O-N 2.79Å; P181-Q183 VanDerWaalsContact O-N 3.14Å; P181-T184 HydrophobicContact CB-CG2 4.4Å; P181-T184 WeakPolarHBondContact O-CB 3.34Å; P181-T184 PolarHBondContact O-N 2.77Å; P181-T184 PolarHBondContact O-OG1 3.08Å
182	I	84.6	Confident	80.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.1	-31.1	-171	-167.8	58.5	0	0	0	113.4	F87 F116 I159 D161 L178 T184 L185 L186	F87-I182 HydrophobicContact CD1-CG1 4.44Å; F87-I182 HydrophobicContact CE1-CD1 4.29Å; F87-I182 HydrophobicContact CE1-CG1 3.77Å; F116-I182 HydrophobicContact CD2-CD1 3.95Å; F116-I182 HydrophobicContact CE2-CD1 3.6Å; F116-I182 HydrophobicContact CZ-CD1 4.01Å; I159-I182 HydrophobicContact CG2-CB 3.79Å; I159-I182 HydrophobicContact CG2-CG1 3.99Å; I159-I182 HydrophobicContact CG2-CG2 3.91Å; D161-I182 WeakPolarHBondContact O-CG2 3.2Å; D161-I182 PolarHBondContact O-N 2.96Å; L178-I182 HydrophobicContact CD1-CB 4.4Å; L178-I182 HydrophobicContact CD1-CD1 4.34Å; I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 2.95Å; I182-L185 HydrophobicContact CD1-CB 4.47Å; I182-L185 HydrophobicContact CD1-CD1 4.36Å; I182-L185 PolarHBondContact O-N 2.81Å; I182-L186 HydrophobicContact CD1-CD1 3.87Å; I182-L186 HydrophobicContact CD1-CG 4.2Å; I182-L186 HydrophobicContact CG1-CD1 4.04Å; I182-L186 WeakPolarHBondContact O-CB 3.3Å; I182-L186 PolarHBondContact O-N 3.42Å
183	Q	83.1	Confident	81.2	Confident	26 Å²	26	53.2 Å²	53.2	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-20.5	174.2	67.5	-85.1	17.1	0	0	113.6	Q82 R85 D161 P181 S187	Q82-Q183 PolarHBondContact NE2-O 3.27Å; R85-Q183 PolarHBondContact O-OE1 2.85Å; D161-Q183 PolarHBondContact OD1-NE2 3.12Å; P181-Q183 PolarHBondContact O-N 2.79Å; P181-Q183 VanDerWaalsContact O-N 3.14Å; Q183-S187 PolarHBondContact O-N 3.16Å
184	T	84.4	Confident	81.8	Confident	77 Å²	77	52.1 Å²	52.1	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-76.5	-43.9	171.4	72.5	0	0	0	0	110.4	P181 I182 L186	P181-T184 HydrophobicContact CB-CG2 4.4Å; P181-T184 WeakPolarHBondContact O-CB 3.34Å; P181-T184 PolarHBondContact O-N 2.77Å; P181-T184 PolarHBondContact O-OG1 3.08Å; I182-T184 VanDerWaalsContact C-N 3.26Å; I182-T184 PolarHBondContact O-N 2.95Å; T184-L186 VanDerWaalsContact C-N 3.34Å; T184-L186 PolarHBondContact O-N 2.83Å
185	L	85.5	Confident	82.8	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-29	176.5	-65.7	174.9	0	0	0	113.7	I115 Y131 V180 I182 L190	I115-L185 WeakPolarHBondContact CG2-O 3.03Å; Y131-L185 HydrophobicContact CD1-CD1 4.44Å; Y131-L185 HydrophobicContact CD2-CD1 3.55Å; Y131-L185 HydrophobicContact CD2-CD2 3.72Å; Y131-L185 HydrophobicContact CD2-CG 4.29Å; Y131-L185 HydrophobicContact CE2-CD1 4.05Å; Y131-L185 HydrophobicContact CE2-CD2 4.45Å; Y131-L185 HydrophobicContact CG-CD1 3.76Å; Y131-L185 HydrophobicContact CG-CD2 4.42Å; V180-L185 HydrophobicContact CG2-CD1 3.94Å; V180-L185 HydrophobicContact CG2-CD2 3.63Å; V180-L185 HydrophobicContact CG2-CG 3.68Å; I182-L185 HydrophobicContact CD1-CB 4.47Å; I182-L185 HydrophobicContact CD1-CD1 4.36Å; I182-L185 PolarHBondContact O-N 2.81Å; L185-L190 WeakPolarHBondContact O-CD1 3.03Å
186	L	87	Confident	83.6	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	48.5	-178.9	-62.9	-179.4	0	0	0	111.4	L78 I81 Q82 F87 V106 F116 I182 T184	L78-L186 HydrophobicContact CD2-CB 3.89Å; L78-L186 HydrophobicContact CD2-CD2 4.47Å; I81-L186 HydrophobicContact CD1-CB 4.43Å; I81-L186 HydrophobicContact CD1-CD1 3.77Å; I81-L186 HydrophobicContact CG2-CB 4.25Å; Q82-L186 PolarHBondContact NE2-O 3.03Å; F87-L186 HydrophobicContact CE1-CD1 3.99Å; V106-L186 HydrophobicContact CG2-CD2 4.08Å; F116-L186 HydrophobicContact CB-CD2 4.09Å; F116-L186 HydrophobicContact CD1-CD1 4.47Å; I182-L186 HydrophobicContact CD1-CD1 3.87Å; I182-L186 HydrophobicContact CD1-CG 4.2Å; I182-L186 HydrophobicContact CG1-CD1 4.04Å; I182-L186 WeakPolarHBondContact O-CB 3.3Å; I182-L186 PolarHBondContact O-N 3.42Å; T184-L186 VanDerWaalsContact C-N 3.34Å; T184-L186 PolarHBondContact O-N 2.83Å
187	S	83.9	Confident	84	Confident	40 Å²	40	51.9 Å²	51.9	28%	0.28	25%	0.251	S	S	.	.			trans	-68.9	158.2	176.7	73.2	0	0	0	0	114.2	Q183 E189 L190	Q183-S187 PolarHBondContact O-N 3.16Å; S187-E189 VanDerWaalsContact C-N 3.33Å; S187-E189 PolarHBondContact O-N 3.05Å; S187-L190 WeakPolarHBondContact O-CB 3.44Å; S187-L190 WeakPolarHBondContact O-CG 3.06Å; S187-L190 PolarHBondContact O-N 3.12Å
188	R	75.6	Confident	84.4	Confident	139 Å²	139	45.7 Å²	45.7	53%	0.525	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-59.9	-34.8	-173.3	-161.2	-177	-155.3	-158.5	6	114.6	D79 L190	D79-R188 VanDerWaalsContact CG-NH2 3.32Å; D79-R188 IonicContact OD1-CZ 2.79Å; D79-R188 VanDerWaalsContact OD1-CZ 3.24Å; D79-R188 IonicContact OD1-NE 3.89Å; D79-R188 PolarHBondContact OD1-NE 3.06Å; D79-R188 IonicContact OD1-NH2 2.98Å; D79-R188 PolarHBondContact OD1-NH2 2.92Å; D79-R188 IonicContact OD2-CZ 3.27Å; D79-R188 IonicContact OD2-NH2 2.71Å; D79-R188 PolarHBondContact OD2-NH2 3.27Å; R188-L190 PolarHBondContact O-N 2.99Å
189	E	78.1	Confident	84.8	Confident	95 Å²	95	45.4 Å²	45.4	44%	0.444	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.6	-178.5	-70.2	-166.9	-156.2	0	0	113.5	S187 A191 R193 K309	S187-E189 VanDerWaalsContact C-N 3.33Å; S187-E189 PolarHBondContact O-N 3.05Å; E189-A191 PolarHBondContact O-N 3.44Å; E189-R193 IonicContact OE2-CZ 2.91Å; E189-R193 IonicContact OE2-NH2 3.43Å; E189-R193 PolarHBondContact OE2-NH2 2.95Å; E189-K309 IonicContact OE2-NZ 2.9Å
190	L	82	Confident	85.3	Confident	31 Å²	31	42.5 Å²	42.5	16%	0.162	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-72	-27.3	-171.8	-66.9	169.8	0	0	0	114.1	L78 I115 L185 S187 R188 D192 R193 A194	L78-L190 HydrophobicContact CD1-CB 4.37Å; I115-L190 HydrophobicContact CD1-CD2 4.06Å; I115-L190 HydrophobicContact CG2-CD1 4.32Å; L185-L190 WeakPolarHBondContact O-CD1 3.03Å; S187-L190 WeakPolarHBondContact O-CB 3.44Å; S187-L190 WeakPolarHBondContact O-CG 3.06Å; S187-L190 PolarHBondContact O-N 3.12Å; R188-L190 PolarHBondContact O-N 2.99Å; L190-D192 PolarHBondContact O-N 2.98Å; L190-D192 VanDerWaalsContact O-N 3.07Å; L190-R193 CarbonylContact O-C 3.03Å; L190-R193 PolarHBondContact O-N 3.43Å; L190-A194 WeakPolarHBondContact O-CA 3.38Å; L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.47Å; L190-A194 PolarHBondContact O-N 3.45Å
191	A	77.8	Confident	85.3	Confident	6 Å²	6	40.6 Å²	40.6	5%	0.05	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.2	-18.2	-179.8	0	0	0	0	0	114.1	F74 R75 L78 E189	F74-A191 HydrophobicContact CD1-CB 3.97Å; F74-A191 HydrophobicContact CE1-CB 4.39Å; R75-A191 HydrophobicContact CB-CB 4.4Å; R75-A191 HydrophobicContact CG-CB 3.27Å; L78-A191 HydrophobicContact CD1-CB 3.95Å; E189-A191 PolarHBondContact O-N 3.44Å
192	D	82.3	Confident	84.7	Confident	102 Å²	102	40.4 Å²	40.4	55%	0.545	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-86.4	-12.3	177.5	-59	-17.4	0	0	0	112.3	R75 L190	R75-D192 IonicContact CZ-OD1 3.19Å; R75-D192 IonicContact NE-OD1 2.81Å; R75-D192 PolarHBondContact NE-OD1 3.48Å; R75-D192 IonicContact NH2-OD1 2.78Å; R75-D192 PolarHBondContact NH2-OD1 3.29Å; L190-D192 PolarHBondContact O-N 2.98Å; L190-D192 VanDerWaalsContact O-N 3.07Å
193	R	87.1	Confident	84	Confident	139 Å²	139	45.9 Å²	45.9	53%	0.525	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-0.3	-172.9	-47.6	-174.6	-156.8	149.9	20.9	113.7	T109 E189 L190	T109-R193 PolarHBondContact N-O 3.18Å; T109-R193 PolarHBondContact OG1-O 3.1Å; T109-R193 VanDerWaalsContact OG1-O 3.07Å; E189-R193 IonicContact OE2-CZ 2.91Å; E189-R193 IonicContact OE2-NH2 3.43Å; E189-R193 PolarHBondContact OE2-NH2 2.95Å; L190-R193 CarbonylContact O-C 3.03Å; L190-R193 PolarHBondContact O-N 3.43Å
194	A	90	Very high	83.4	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.6	-175.4	0	0	0	0	0	111.9	V106 E107 I115 L190	V106-A194 HydrophobicContact CG1-CB 3.75Å; E107-A194 CarbonylContact O-C 3.55Å; E107-A194 VanDerWaalsContact O-CA 3.29Å; E107-A194 WeakPolarHBondContact O-CA 3.46Å; I115-A194 HydrophobicContact CD1-CB 3.37Å; L190-A194 WeakPolarHBondContact O-CA 3.38Å; L190-A194 VanDerWaalsContact O-CB 3.28Å; L190-A194 WeakPolarHBondContact O-CB 3.47Å; L190-A194 PolarHBondContact O-N 3.45Å
195	R	91	Very high	83.2	Confident	66 Å²	66	51 Å²	51	25%	0.249	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.2	179.3	62	-170	179.1	-120	-16.6	112.4	P68 E107 T109	P68-R195 HydrophobicContact CB-CB 4.24Å; P68-R195 HydrophobicContact CB-CG 4.41Å; E107-R195 HydrophobicContact CG-CG 3.78Å; E107-R195 PolarHBondContact N-O 2.86Å; E107-R195 PolarHBondContact O-N 3.26Å; E107-R195 IonicContact OE1-CZ 3.11Å; E107-R195 IonicContact OE1-NE 2.77Å; E107-R195 PolarHBondContact OE1-NE 3.44Å; E107-R195 IonicContact OE1-NH2 2.66Å; E107-R195 PolarHBondContact OE1-NH2 3.2Å; T109-R195 HydrophobicContact CG2-CG 4.49Å
196	L	92.3	Very high	83.3	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.3	178.2	178.8	58.6	0	0	0	111.6	L32 P68 V69 F74 L77 L104 T105 V106 F216	L32-L196 HydrophobicContact CD1-CD2 4.48Å; L32-L196 HydrophobicContact CD2-CD2 3.92Å; P68-L196 VanDerWaalsContact CA-O 3.32Å; P68-L196 WeakPolarHBondContact CA-O 3.29Å; V69-L196 HydrophobicContact CB-CB 4.19Å; V69-L196 HydrophobicContact CG2-CB 4.19Å; V69-L196 HydrophobicContact CG2-CD2 3.98Å; V69-L196 HydrophobicContact CG2-CG 3.97Å; V69-L196 PolarHBondContact N-O 3.35Å; F74-L196 HydrophobicContact CD2-CB 3.83Å; F74-L196 HydrophobicContact CD2-CD2 4.25Å; F74-L196 HydrophobicContact CE2-CB 3.86Å; F74-L196 HydrophobicContact CE2-CD2 4.41Å; F74-L196 HydrophobicContact CG-CB 4.36Å; F74-L196 HydrophobicContact CZ-CB 4.39Å; L77-L196 HydrophobicContact CD1-CD2 4.38Å; L104-L196 HydrophobicContact CB-CD1 4.36Å; L104-L196 HydrophobicContact CD1-CD1 4.27Å; T105-L196 CarbonylContact O-C 3.59Å; T105-L196 WeakPolarHBondContact O-CA 3.05Å; V106-L196 HydrophobicContact CG2-CD1 4.07Å; L196-F216 HydrophobicContact CD2-CE2 4.48Å
197	R	91.4	Very high	83.6	Confident	32 Å²	32	54.4 Å²	54.4	12%	0.121	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152.8	178.5	-67.2	-66.3	-164.4	162.2	2.9	111	I66 L104 T105 E107 K200	I66-R197 PolarHBondContact O-NH1 2.98Å; L104-R197 VanDerWaalsContact CA-O 3.25Å; L104-R197 WeakPolarHBondContact CA-O 3.26Å; L104-R197 WeakPolarHBondContact CB-O 3.13Å; T105-R197 PolarHBondContact N-O 3.41Å; T105-R197 PolarHBondContact O-N 3.5Å; E107-R197 HydrophobicContact CG-CG 3.9Å; E107-R197 IonicContact OE1-CZ 3.23Å; E107-R197 IonicContact OE1-NE 2.75Å; E107-R197 PolarHBondContact OE1-NE 3.34Å; E107-R197 IonicContact OE1-NH2 3.94Å; E107-R197 PolarHBondContact OE1-NH2 3.13Å; R197-K200 HydrophobicContact CB-CB 4.45Å
198	I	92	Very high	83.9	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.5	176.1	-43.9	168	0	0	0	108.5	L32 F33 A36 I66 K200 L211	L32-I198 HydrophobicContact CB-CD1 3.58Å; L32-I198 HydrophobicContact CB-CG1 4.06Å; L32-I198 HydrophobicContact CD1-CG1 4.33Å; L32-I198 WeakPolarHBondContact O-CD1 3.41Å; F33-I198 HydrophobicContact CD1-CD1 4.3Å; F33-I198 HydrophobicContact CE1-CD1 4.44Å; F33-I198 HydrophobicContact CE1-CG2 4.37Å; F33-I198 HydrophobicContact CE2-CG2 4.09Å; F33-I198 HydrophobicContact CG-CD1 4.39Å; F33-I198 HydrophobicContact CZ-CG2 3.81Å; A36-I198 HydrophobicContact CB-CD1 4.2Å; I66-I198 HydrophobicContact CG2-CB 4.45Å; I198-K200 PolarHBondContact O-N 3.02Å; I198-K200 VanDerWaalsContact O-N 3.13Å; I198-L211 HydrophobicContact CG2-CD1 4.02Å
199	G	87.6	Confident	84.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	69.6	3.9	174.4	0	0	0	0	0	116.3	A63 S102 L103 F207	A63-G199 WeakPolarHBondContact CB-O 3.33Å; S102-G199 CarbonylContact O-C 3.56Å; S102-G199 VanDerWaalsContact O-CA 3.26Å; S102-G199 WeakPolarHBondContact O-CA 3.08Å; L103-G199 PolarHBondContact O-N 2.75Å; G199-F207 PolarHBondContact O-N 2.77Å
200	K	88.6	Confident	85.4	Confident	35 Å²	35	47.6 Å²	47.6	15%	0.152	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-125.6	124.4	-178.3	164.7	171.7	175.6	152.5	0	109.5	A63 D64 S102 T105 E107 R197 I198	A63-K200 HydrophobicContact CB-CB 3.77Å; D64-K200 IonicContact OD1-NZ 2.72Å; D64-K200 PolarHBondContact OD1-NZ 3.3Å; S102-K200 PolarHBondContact OG-O 3.37Å; T105-K200 VanDerWaalsContact CB-O 3.25Å; T105-K200 WeakPolarHBondContact CB-O 3.25Å; T105-K200 PolarHBondContact OG1-O 3.01Å; E107-K200 WeakPolarHBondContact OE2-CE 3.49Å; R197-K200 HydrophobicContact CB-CB 4.45Å; I198-K200 PolarHBondContact O-N 3.02Å; I198-K200 VanDerWaalsContact O-N 3.13Å
201	G	82.1	Confident	85.9	Confident	4 Å²	4	46.2 Å²	46.2	4%	0.041	23%	0.226	C	C	.	.			trans	-83	162	166.9	0	0	0	0	0	113	T105 E117 V203 D205	T105-G201 WeakPolarHBondContact OG1-CA 3.48Å; E117-G201 VanDerWaalsContact CD-CA 3.46Å; E117-G201 WeakPolarHBondContact OE1-CA 3.2Å; G201-V203 VanDerWaalsContact C-N 3.35Å; G201-V203 PolarHBondContact O-N 3.3Å; G201-D205 WeakPolarHBondContact CA-O 3.36Å; G201-D205 PolarHBondContact N-O 3.28Å
202	A	71.3	Confident	86.4	Confident	32 Å²	32	46 Å²	46	26%	0.264	22%	0.224	S	C	.	.	S	Bend	trans	-69.7	-29.8	-177.3	0	0	0	0	0	113.3	T105 E107 P114 E117	T105-A202 HydrophobicContact CG2-CB 4.15Å; E107-A202 HydrophobicContact CB-CB 4.46Å; P114-A202 HydrophobicContact CB-CB 3.81Å; P114-A202 HydrophobicContact CG-CB 4Å; E117-A202 PolarHBondContact OE2-N 3.31Å
203	V	70.3	Confident	86.6	Confident	115 Å²	115	42.1 Å²	42.1	70%	0.697	20%	0.203	S	C	*	.	S	Bend	trans	-103.2	-74.9	-173.1	-174.3	0	0	0	0	112.7	G201	G201-V203 VanDerWaalsContact C-N 3.35Å; G201-V203 PolarHBondContact O-N 3.3Å
204	K	71.9	Confident	86.7	Confident	178 Å²	178	35.6 Å²	35.6	77%	0.774	18%	0.179	S	C	*	.	S	Bend	trans	-139.8	-19.5	-176.5	-78.8	174.5	-176	166.6	0	114.4
205	D	79.9	Confident	86.5	Confident	33 Å²	33	37.1 Å²	37.1	18%	0.176	19%	0.186	C	C	.	.			trans	-69.2	127.6	-175.3	-59.4	-96.4	0	0	0	111.5	R100 G201	R100-D205 WeakPolarHBondContact CD-OD1 3.45Å; R100-D205 WeakPolarHBondContact CG-OD1 3.41Å; R100-D205 IonicContact CZ-OD1 2.7Å; R100-D205 IonicContact NE-OD1 2.8Å; R100-D205 IonicContact NH1-OD1 3.7Å; R100-D205 PolarHBondContact NH1-OD1 2.78Å; R100-D205 IonicContact NH1-OD2 3.4Å; R100-D205 PolarHBondContact NH1-OD2 2.93Å; G201-D205 WeakPolarHBondContact CA-O 3.36Å; G201-D205 PolarHBondContact N-O 3.28Å
206	K	87.4	Confident	86.2	Confident	86 Å²	86	34.2 Å²	34.2	37%	0.374	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-137.3	131.4	-177.8	-64.7	-177.5	-172.1	-175	0	109.3	D64 M208	D64-K206 IonicContact OD1-NZ 2.96Å; D64-K206 IonicContact OD2-NZ 2.78Å; D64-K206 PolarHBondContact OD2-NZ 3.36Å; K206-M208 PolarHBondContact O-N 2.99Å
207	F	92.3	Very high	85.6	Confident	3 Å²	3	34.8 Å²	34.8	1%	0.013	18%	0.178	C	C	.	.			trans	-66.9	120.4	-176.4	-169.7	-103.8	0	0	0	112	V60 L93 Q95 S102 L103 G199 G209 L211	V60-F207 HydrophobicContact CB-CD1 4.49Å; V60-F207 WeakPolarHBondContact CG1-O 3.32Å; V60-F207 HydrophobicContact CG2-CD1 3.96Å; L93-F207 HydrophobicContact CB-CZ 4.14Å; L93-F207 HydrophobicContact CD1-CE2 4.14Å; L93-F207 HydrophobicContact CD1-CZ 4.3Å; Q95-F207 HydrophobicContact CB-CE2 3.85Å; Q95-F207 HydrophobicContact CB-CZ 3.84Å; Q95-F207 HydrophobicContact CG-CE2 3.93Å; Q95-F207 HydrophobicContact CG-CZ 4.33Å; S102-F207 WeakPolarHBondContact O-CB 3.29Å; L103-F207 HydrophobicContact CD2-CD2 3.62Å; L103-F207 HydrophobicContact CD2-CE2 3.44Å; L103-F207 VanDerWaalsContact CD2-CE2 3.44Å; L103-F207 HydrophobicContact CD2-CZ 4.35Å; G199-F207 PolarHBondContact O-N 2.77Å; F207-G209 VanDerWaalsContact CE1-CA 3.47Å; F207-L211 HydrophobicContact CD1-CD1 4.09Å; F207-L211 HydrophobicContact CD1-CD2 4.07Å; F207-L211 HydrophobicContact CD1-CG 3.8Å; F207-L211 HydrophobicContact CE1-CD1 4.34Å; F207-L211 HydrophobicContact CE1-CD2 3.54Å; F207-L211 HydrophobicContact CE1-CG 3.57Å; F207-L211 HydrophobicContact CE2-CD2 4.13Å; F207-L211 HydrophobicContact CG-CD1 4.49Å; F207-L211 HydrophobicContact CZ-CD2 3.59Å; F207-L211 HydrophobicContact CZ-CG 4.17Å
208	M	90.6	Very high	84.6	Confident	102 Å²	102	33.8 Å²	33.8	50%	0.502	18%	0.175	S	C	.	.			trans	-106.7	79.3	178.6	-73.2	-172.7	-81.5	0	0	110.4	S96 T99 K206	S96-M208 VanDerWaalsContact CB-O 3.29Å; S96-M208 WeakPolarHBondContact CB-O 3.34Å; S96-M208 PolarHBondContact N-O 2.78Å; S96-M208 PolarHBondContact OG-O 3.33Å; T99-M208 HydrophobicContact CG2-CE 3.73Å; K206-M208 PolarHBondContact O-N 2.99Å
209	G	92	Very high	82.9	Confident	9 Å²	9	35.7 Å²	35.7	9%	0.093	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	-154.6	-176.1	0	0	0	0	0	115	V60 K94 F207	V60-G209 PolarHBondContact N-O 2.97Å; K94-G209 CarbonylContact O-C 3.54Å; K94-G209 WeakPolarHBondContact O-CA 3.39Å; F207-G209 VanDerWaalsContact CE1-CA 3.47Å
210	V	93.6	Very high	81.2	Confident	20 Å²	20	36.2 Å²	36.2	12%	0.121	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	170.7	-168	0	0	0	0	109.4	V48 A57 Y58 K59 L93 K94 W152	V48-V210 HydrophobicContact CG2-CB 4.45Å; V48-V210 HydrophobicContact CG2-CG1 3.45Å; V48-V210 VanDerWaalsContact CG2-CG1 3.45Å; V48-V210 HydrophobicContact CG2-CG2 4.06Å; A57-V210 HydrophobicContact CB-CG1 3.9Å; Y58-V210 WeakPolarHBondContact O-CA 3.34Å; K59-V210 HydrophobicContact CB-CG2 4.16Å; K59-V210 HydrophobicContact CG-CG2 4.32Å; L93-V210 WeakPolarHBondContact CA-O 3.07Å; K94-V210 HydrophobicContact CB-CB 4.32Å; K94-V210 PolarHBondContact N-O 2.84Å; K94-V210 PolarHBondContact O-N 2.93Å; W152-V210 HydrophobicContact CH2-CB 3.87Å; W152-V210 HydrophobicContact CH2-CG1 3.56Å; W152-V210 HydrophobicContact CZ2-CB 4.37Å; W152-V210 HydrophobicContact CZ2-CG1 4.14Å; W152-V210 HydrophobicContact CZ3-CB 4.49Å; W152-V210 HydrophobicContact CZ3-CG1 4.46Å
211	L	92.3	Very high	79.3	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.3	170.6	-63.7	175.2	0	0	0	110	F33 Y58 N92 L93 L103 I198 F207 V214	F33-L211 HydrophobicContact CE2-CB 3.93Å; F33-L211 HydrophobicContact CZ-CB 3.99Å; F33-L211 HydrophobicContact CZ-CD1 4.27Å; Y58-L211 PolarHBondContact N-O 3.19Å; Y58-L211 PolarHBondContact O-N 3.09Å; N92-L211 CarbonylContact O-C 3.5Å; L93-L211 HydrophobicContact CB-CD2 3.82Å; L103-L211 HydrophobicContact CD2-CD2 4.27Å; I198-L211 HydrophobicContact CG2-CD1 4.02Å; F207-L211 HydrophobicContact CD1-CD1 4.09Å; F207-L211 HydrophobicContact CD1-CD2 4.07Å; F207-L211 HydrophobicContact CD1-CG 3.8Å; F207-L211 HydrophobicContact CE1-CD1 4.34Å; F207-L211 HydrophobicContact CE1-CD2 3.54Å; F207-L211 HydrophobicContact CE1-CG 3.57Å; F207-L211 HydrophobicContact CE2-CD2 4.13Å; F207-L211 HydrophobicContact CG-CD1 4.49Å; F207-L211 HydrophobicContact CZ-CD2 3.59Å; F207-L211 HydrophobicContact CZ-CG 4.17Å; L211-V214 HydrophobicContact CB-CG2 4.12Å
212	Q	89.2	Confident	77.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.8	179.9	-179.5	169.1	29.7	0	0	109.2	D52 S55 A57 N92 W152 V214	D52-Q212 PolarHBondContact O-NE2 3.11Å; S55-Q212 PolarHBondContact O-NE2 3.44Å; S55-Q212 PolarHBondContact OG-NE2 2.91Å; A57-Q212 HydrophobicContact CB-CB 4Å; A57-Q212 HydrophobicContact CB-CG 4.16Å; N92-Q212 HydrophobicContact CB-CB 4.08Å; N92-Q212 PolarHBondContact N-O 3.49Å; N92-Q212 PolarHBondContact O-N 3.36Å; W152-Q212 HydrophobicContact CH2-CB 4.29Å; W152-Q212 HydrophobicContact CZ3-CB 4.26Å; Q212-V214 PolarHBondContact O-N 2.84Å
213	N	84.8	Confident	76.4	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.112	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.8	51.7	176.9	-60.5	-9	0	0	0	114	D52 S55 L90 L91 H215	D52-N213 PolarHBondContact OD2-ND2 3.24Å; S55-N213 WeakPolarHBondContact CB-OD1 3.28Å; S55-N213 PolarHBondContact OG-ND2 2.03Å; S55-N213 PolarHBondContact OG-OD1 3.43Å; L90-N213 CarbonylContact C-O 3.52Å; L91-N213 WeakPolarHBondContact CA-O 3.44Å; N213-H215 PolarHBondContact O-N 3.46Å
214	V	89.3	Confident	75.5	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	94.5	178.2	-173	0	0	0	0	108.8	L32 F33 L89 L90 L91 L211 Q212	L32-V214 HydrophobicContact CD1-CG1 3.66Å; L32-V214 HydrophobicContact CG-CG1 4.21Å; L32-V214 PolarHBondContact N-O 2.9Å; L32-V214 VanDerWaalsContact N-O 3.08Å; F33-V214 HydrophobicContact CD2-CB 4.34Å; F33-V214 HydrophobicContact CD2-CG2 4.19Å; F33-V214 HydrophobicContact CE2-CB 4.28Å; F33-V214 HydrophobicContact CE2-CG2 3.69Å; L89-V214 HydrophobicContact CD1-CG1 4.47Å; L90-V214 WeakPolarHBondContact O-CA 3.11Å; L91-V214 HydrophobicContact CB-CB 4.3Å; L91-V214 HydrophobicContact CB-CG1 4.28Å; L91-V214 HydrophobicContact CB-CG2 3.92Å; L91-V214 HydrophobicContact CD2-CG1 4.45Å; L211-V214 HydrophobicContact CB-CG2 4.12Å; Q212-V214 PolarHBondContact O-N 2.84Å
215	H	86.9	Confident	74.7	Confident	33 Å²	33	30 Å²	30	15%	0.153	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.2	-166.8	-60.5	168.1	0	0	0	111.3	V29 Y30 D31 L90 N213	V29-H215 HydrophobicContact CG1-CB 4.22Å; Y30-H215 WeakPolarHBondContact O-CA 3.42Å; D31-H215 IonicContact OD2-CD2 2.76Å; D31-H215 PolarHBondContact OD2-CD2 3.45Å; D31-H215 VanDerWaalsContact OD2-CD2 3.31Å; D31-H215 IonicContact OD2-CE1 3.16Å; D31-H215 IonicContact OD2-NE2 3.06Å; D31-H215 PolarHBondContact OD2-NE2 2.98Å; L90-H215 HydrophobicContact CB-CB 4.45Å; L90-H215 PolarHBondContact N-O 2.77Å; L90-H215 PolarHBondContact O-N 2.04Å; N213-H215 PolarHBondContact O-N 3.46Å
216	F	84.6	Confident	73.3	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.8	158.5	-75.6	-103.8	0	0	0	109.3	V29 Y30 L32 L77 F87 L88 L89 L104 L196 F218	V29-F216 WeakPolarHBondContact CA-O 2.97Å; Y30-F216 PolarHBondContact N-O 3.12Å; Y30-F216 PolarHBondContact O-N 3.2Å; Y30-F216 VanDerWaalsContact O-N 3.08Å; L32-F216 HydrophobicContact CD1-CD2 4.24Å; L32-F216 HydrophobicContact CD1-CE2 3.89Å; L32-F216 HydrophobicContact CD2-CD2 3.84Å; L32-F216 HydrophobicContact CD2-CE2 4.02Å; L32-F216 HydrophobicContact CG-CD2 4.22Å; L32-F216 HydrophobicContact CG-CE2 4.34Å; L77-F216 HydrophobicContact CD1-CB 4.24Å; L77-F216 HydrophobicContact CD1-CD1 4.48Å; L77-F216 HydrophobicContact CD1-CD2 3.8Å; L77-F216 HydrophobicContact CD1-CE2 4.19Å; L77-F216 HydrophobicContact CD1-CG 3.96Å; F87-F216 HydrophobicContact CB-CD1 3.81Å; F87-F216 HydrophobicContact CB-CE1 4.26Å; F87-F216 HydrophobicContact CD1-CD1 4.35Å; F87-F216 AromaticContact CD1-CE1 3.95Å; F87-F216 HydrophobicContact CD1-CE1 3.95Å; F87-F216 AromaticContact CD2-CD1 3.69Å; F87-F216 HydrophobicContact CD2-CD1 3.69Å; F87-F216 AromaticContact CD2-CE1 3.5Å; F87-F216 HydrophobicContact CD2-CE1 3.5Å; F87-F216 HydrophobicContact CE1-CE1 4.08Å; F87-F216 HydrophobicContact CE2-CD1 4.31Å; F87-F216 AromaticContact CE2-CE1 3.67Å; F87-F216 HydrophobicContact CE2-CE1 3.67Å; F87-F216 HydrophobicContact CE2-CZ 4.48Å; F87-F216 AromaticContact CG-CD1 3.7Å; F87-F216 HydrophobicContact CG-CD1 3.7Å; F87-F216 AromaticContact CG-CE1 3.65Å; F87-F216 HydrophobicContact CG-CE1 3.65Å; F87-F216 AromaticContact CZ-CE1 3.95Å; F87-F216 HydrophobicContact CZ-CE1 3.95Å; L88-F216 WeakPolarHBondContact O-CA 3.39Å; L89-F216 HydrophobicContact CD1-CD2 4.15Å; L89-F216 HydrophobicContact CD1-CE2 4.05Å; L89-F216 HydrophobicContact CD1-CZ 4.33Å; L104-F216 HydrophobicContact CD2-CE2 4.17Å; L104-F216 HydrophobicContact CD2-CZ 4.25Å; L196-F216 HydrophobicContact CD2-CE2 4.48Å; F216-F218 HydrophobicContact CB-CE2 3.66Å; F216-F218 HydrophobicContact CB-CZ 4.06Å; F216-F218 HydrophobicContact CD1-CZ 4.08Å; F216-F218 HydrophobicContact CG-CE2 4.49Å; F216-F218 HydrophobicContact CG-CZ 4.49Å
217	V	78.7	Confident	71.6	Confident	14 Å²	14	29.8 Å²	29.8	9%	0.085	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.7	-178.8	-176.4	0	0	0	0	110.5	V29 L88 L90	V29-V217 HydrophobicContact CG1-CG2 4.36Å; V29-V217 HydrophobicContact CG2-CG1 4.35Å; V29-V217 HydrophobicContact CG2-CG2 4.33Å; L88-V217 HydrophobicContact CB-CB 4.34Å; L88-V217 PolarHBondContact O-N 3.1Å; L90-V217 HydrophobicContact CD1-CG2 3.98Å; L90-V217 HydrophobicContact CG-CG2 4.49Å
218	F	70.6	Confident	69.7	Low	12 Å²	12	34 Å²	34	5%	0.053	21%	0.205	C	C	.	.			trans	-147.3	152.4	-177.2	-52.7	-86.2	0	0	0	110.2	S28 Y30 L77 I81 E84 G86 F87 F216 T220	S28-F218 CarbonylContact C-O 3.6Å; S28-F218 WeakPolarHBondContact CA-O 3.22Å; S28-F218 WeakPolarHBondContact CB-O 3.27Å; S28-F218 PolarHBondContact O-N 3.31Å; Y30-F218 AromaticContact CD2-CD2 3.71Å; Y30-F218 HydrophobicContact CD2-CD2 3.71Å; Y30-F218 AromaticContact CD2-CE2 3.85Å; Y30-F218 HydrophobicContact CD2-CE2 3.85Å; Y30-F218 AromaticContact CE2-CD2 3.72Å; Y30-F218 HydrophobicContact CE2-CD2 3.72Å; Y30-F218 HydrophobicContact CE2-CE2 4.06Å; L77-F218 HydrophobicContact CG-CE2 4.29Å; L77-F218 HydrophobicContact CG-CZ 4.3Å; I81-F218 HydrophobicContact CB-CE1 4.41Å; I81-F218 HydrophobicContact CD1-CZ 4.43Å; I81-F218 HydrophobicContact CG1-CE1 3.57Å; I81-F218 HydrophobicContact CG1-CZ 3.63Å; E84-F218 HydrophobicContact CG-CB 4.37Å; E84-F218 HydrophobicContact CG-CD1 4.32Å; G86-F218 WeakPolarHBondContact O-CE1 3.29Å; F87-F218 HydrophobicContact CB-CD1 4.46Å; F87-F218 HydrophobicContact CB-CE1 3.62Å; F87-F218 HydrophobicContact CB-CZ 3.95Å; F216-F218 HydrophobicContact CB-CE2 3.66Å; F216-F218 HydrophobicContact CB-CZ 4.06Å; F216-F218 HydrophobicContact CD1-CZ 4.08Å; F216-F218 HydrophobicContact CG-CE2 4.49Å; F216-F218 HydrophobicContact CG-CZ 4.49Å; F218-T220 PolarHBondContact O-N 2.87Å
219	G	57	Low	67.9	Low	42 Å²	42	32.9 Å²	32.9	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	61.5	-0.6	160.7	0	0	0	0	0	118.9
220	T	52.8	Low	66	Low	11 Å²	11	34.8 Å²	34.8	7%	0.067	22%	0.217	C	C	.	.			trans	-56.1	140.1	172.8	26.3	0	0	0	0	110.5	S28 F218 L222 I225 F281	S28-T220 WeakPolarHBondContact OG-CG2 3.47Å; F218-T220 PolarHBondContact O-N 2.87Å; T220-L222 PolarHBondContact O-N 3.17Å; T220-I225 WeakPolarHBondContact OG1-CD1 3.44Å; T220-F281 VanDerWaalsContact O-CE1 3.24Å; T220-F281 WeakPolarHBondContact O-CE1 3.04Å
221	S	47.4	Very low	64.5	Low	60 Å²	60	35.1 Å²	35.1	42%	0.42	22%	0.22	S	C	.	.			trans	-65.2	140.1	174.9	64.5	0	0	0	0	111.1	D223 A224 I225	S221-D223 VanDerWaalsContact C-N 3.25Å; S221-D223 PolarHBondContact O-N 3.45Å; S221-A224 WeakPolarHBondContact O-CB 3.13Å; S221-A224 PolarHBondContact O-N 3.46Å; S221-A224 WeakPolarHBondContact OG-CB 3.48Å; S221-A224 PolarHBondContact OG-N 2.95Å; S221-I225 PolarHBondContact O-N 3.14Å
222	L	47.9	Very low	62.2	Low	34 Å²	34	44.6 Å²	44.6	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-51.5	-46.5	177.1	178.3	61.7	0	0	0	111	T220 A224 I225 L226 I277 T278 F281	T220-L222 PolarHBondContact O-N 3.17Å; L222-A224 VanDerWaalsContact C-N 3.27Å; L222-A224 PolarHBondContact O-N 2.86Å; L222-I225 PolarHBondContact O-N 2.78Å; L222-I225 VanDerWaalsContact O-N 3.15Å; L222-L226 HydrophobicContact CD1-CD1 3.81Å; L222-L226 HydrophobicContact CD1-CD2 4.25Å; L222-L226 HydrophobicContact CD1-CG 3.8Å; L222-L226 HydrophobicContact CD2-CD1 4.3Å; L222-L226 HydrophobicContact CG-CD1 3.68Å; L222-L226 HydrophobicContact CG-CG 4.09Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 VanDerWaalsContact O-CG 3.32Å; L222-L226 WeakPolarHBondContact O-CG 3.39Å; L222-L226 PolarHBondContact O-N 3.38Å; L222-I277 HydrophobicContact CD1-CG2 3.73Å; L222-T278 HydrophobicContact CD2-CG2 3.92Å; L222-F281 HydrophobicContact CD1-CB 4.37Å
223	D	44.3	Very low	60.4	Low	81 Å²	81	50.3 Å²	50.3	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-53.2	-39.1	173.9	-73.6	-53.4	0	0	0	113.7	S221 T227 L237	S221-D223 VanDerWaalsContact C-N 3.25Å; S221-D223 PolarHBondContact O-N 3.45Å; D223-T227 WeakPolarHBondContact O-CB 3.49Å; D223-T227 PolarHBondContact O-N 2.87Å; D223-T227 PolarHBondContact O-OG1 2.74Å; D223-L237 WeakPolarHBondContact OD1-CD1 3.42Å
224	A	52.7	Low	58.3	Low	37 Å²	37	51.7 Å²	51.7	31%	0.306	32%	0.32	S	S	.	.	H	α-helix	trans	-71.3	-38.6	-179.5	0	0	0	0	0	111.9	S221 L222 N228	S221-A224 WeakPolarHBondContact O-CB 3.13Å; S221-A224 PolarHBondContact O-N 3.46Å; S221-A224 WeakPolarHBondContact OG-CB 3.48Å; S221-A224 PolarHBondContact OG-N 2.95Å; L222-A224 VanDerWaalsContact C-N 3.27Å; L222-A224 PolarHBondContact O-N 2.86Å; A224-N228 VanDerWaalsContact O-CB 3.31Å; A224-N228 WeakPolarHBondContact O-CB 3.19Å; A224-N228 PolarHBondContact O-N 2.73Å; A224-N228 VanDerWaalsContact O-N 3.16Å; A224-N228 PolarHBondContact O-ND2 3.47Å
225	I	53.9	Low	56	Low	20 Å²	20	55.8 Å²	55.8	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-67.9	-53	174.8	-61.4	165.2	0	0	0	109.7	T220 S221 L222 T227 N228 K229 I277 F281	T220-I225 WeakPolarHBondContact OG1-CD1 3.44Å; S221-I225 PolarHBondContact O-N 3.14Å; L222-I225 PolarHBondContact O-N 2.78Å; L222-I225 VanDerWaalsContact O-N 3.15Å; I225-T227 PolarHBondContact O-N 3.14Å; I225-N228 PolarHBondContact O-N 2.91Å; I225-K229 WeakPolarHBondContact O-CB 3.47Å; I225-K229 PolarHBondContact O-N 2.04Å; I225-I277 HydrophobicContact CG2-CD1 4.3Å; I225-I277 HydrophobicContact CG2-CG2 4.05Å; I225-F281 HydrophobicContact CD1-CE1 4.25Å; I225-F281 HydrophobicContact CD1-CE2 3.61Å; I225-F281 HydrophobicContact CD1-CZ 3.43Å; I225-F281 VanDerWaalsContact CD1-CZ 3.43Å
226	L	52.1	Low	53.8	Low	19 Å²	19	58.1 Å²	58.1	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-59	-44.1	-178.9	-67.4	-176.6	0	0	0	112	L222 K229 G230 C231 C274 I277	L222-L226 HydrophobicContact CD1-CD1 3.81Å; L222-L226 HydrophobicContact CD1-CD2 4.25Å; L222-L226 HydrophobicContact CD1-CG 3.8Å; L222-L226 HydrophobicContact CD2-CD1 4.3Å; L222-L226 HydrophobicContact CG-CD1 3.68Å; L222-L226 HydrophobicContact CG-CG 4.09Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 VanDerWaalsContact O-CG 3.32Å; L222-L226 WeakPolarHBondContact O-CG 3.39Å; L222-L226 PolarHBondContact O-N 3.38Å; L226-K229 PolarHBondContact O-N 2.81Å; L226-G230 PolarHBondContact O-N 2.88Å; L226-C231 HydrophobicContact CB-CB 3.97Å; L226-C231 HydrophobicContact CD2-CB 4.23Å; L226-C231 WeakPolarHBondContact O-CB 3.34Å; L226-C231 PolarHBondContact O-N 3.07Å; L226-C274 HydrophobicContact CD2-CB 4.05Å; L226-C274 WeakPolarHBondContact CD2-O 3.5Å; L226-I277 HydrophobicContact CD2-CB 4.46Å; L226-I277 HydrophobicContact CD2-CG2 4.31Å
227	T	50.3	Low	51.8	Low	96 Å²	96	61.3 Å²	61.3	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-64.9	-41.1	177.5	-59.5	0	0	0	0	111.9	D223 I225 K229 G230	D223-T227 WeakPolarHBondContact O-CB 3.49Å; D223-T227 PolarHBondContact O-N 2.87Å; D223-T227 PolarHBondContact O-OG1 2.74Å; I225-T227 PolarHBondContact O-N 3.14Å; T227-K229 VanDerWaalsContact C-N 3.35Å; T227-G230 PolarHBondContact O-N 2.85Å
228	N	52.3	Low	49.9	Very low	93 Å²	93	65.7 Å²	65.7	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-70.5	-30.4	177.5	-73.8	-32.9	0	0	0	112.5	A224 I225 G230	A224-N228 VanDerWaalsContact O-CB 3.31Å; A224-N228 WeakPolarHBondContact O-CB 3.19Å; A224-N228 PolarHBondContact O-N 2.73Å; A224-N228 VanDerWaalsContact O-N 3.16Å; A224-N228 PolarHBondContact O-ND2 3.47Å; I225-N228 PolarHBondContact O-N 2.91Å; N228-G230 VanDerWaalsContact C-N 3.27Å
229	K	52.7	Low	48.3	Very low	77 Å²	77	73 Å²	73	34%	0.335	46%	0.457	S	S	.	.	H	α-helix	trans	-78.2	-9	173.3	-167.1	157.1	179.9	161.5	0	113.3	I225 L226 T227 V269 F272 I277	I225-K229 WeakPolarHBondContact O-CB 3.47Å; I225-K229 PolarHBondContact O-N 2.04Å; L226-K229 PolarHBondContact O-N 2.81Å; T227-K229 VanDerWaalsContact C-N 3.35Å; K229-V269 PolarHBondContact NZ-O 2.82Å; K229-F272 WeakPolarHBondContact CE-O 3.46Å; K229-F272 PolarHBondContact NZ-O 3.16Å; K229-I277 HydrophobicContact CD-CD1 3.8Å
230	G	52.1	Low	47.4	Very low	50 Å²	50	77.4 Å²	77.4	52%	0.515	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	7.4	176.3	0	0	0	0	0	115.1	L226 T227 N228 K232	L226-G230 PolarHBondContact O-N 2.88Å; T227-G230 PolarHBondContact O-N 2.85Å; N228-G230 VanDerWaalsContact C-N 3.27Å; G230-K232 PolarHBondContact O-N 3.28Å; G230-K232 VanDerWaalsContact O-N 3.12Å
231	C	62.7	Low	46.3	Very low	27 Å²	27	84.7 Å²	84.7	18%	0.182	50%	0.504	C	S	.	.			trans	-61.2	111.3	172.6	-51	0	0	0	0	108.7	L226 C274	L226-C231 HydrophobicContact CB-CB 3.97Å; L226-C231 HydrophobicContact CD2-CB 4.23Å; L226-C231 WeakPolarHBondContact O-CB 3.34Å; L226-C231 PolarHBondContact O-N 3.07Å; C231-C274 HydrophobicContact CB-CB 3.96Å; C231-C274 WeakPolarHBondContact CB-SG 3.36Å; C231-C274 WeakPolarHBondContact SG-CB 3.37Å; C231-C274 CovalentContact SG-SG 2.05Å; C231-C274 PolarHBondContact SG-SG 2.92Å
232	K	44.7	Very low	45.6	Very low	201 Å²	201	87.4 Å²	87.4	87%	0.874	52%	0.518	S	S	*	.			trans	-81.6	149.1	-177.5	-72.7	-177.1	-179	171.4	0	111.6	G230 G234	G230-K232 PolarHBondContact O-N 3.28Å; G230-K232 VanDerWaalsContact O-N 3.12Å; K232-G234 PolarHBondContact O-N 3.32Å
233	S	49.8	Very low	44.7	Very low	119 Å²	119	94.4 Å²	94.4	83%	0.832	55%	0.554	S	S	*	*			trans	-60.1	94.5	-174.8	-45.4	0	0	0	0	113.7
234	G	41.8	Very low	44.1	Very low	51 Å²	51	97.9 Å²	97.9	53%	0.526	57%	0.573	S	S	.	*			trans	-81.8	166.7	160.8	0	0	0	0	0	112	K232 A236	K232-G234 PolarHBondContact O-N 3.32Å; G234-A236 PolarHBondContact O-N 2.69Å; G234-A236 VanDerWaalsContact O-N 3.13Å
235	A	40.4	Very low	42.9	Very low	89 Å²	89	103.4 Å²	103.4	74%	0.736	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-68.8	-11.1	-168.5	0	0	0	0	0	115.9	L237 T238	A235-L237 VanDerWaalsContact C-N 3.27Å; A235-L237 PolarHBondContact O-N 2.95Å; A235-T238 PolarHBondContact O-N 2.88Å
236	A	41.6	Very low	42.3	Very low	82 Å²	82	107.4 Å²	107.4	68%	0.678	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-58.1	-33	-175.4	0	0	0	0	0	114.2	G234 T238 Q239	G234-A236 PolarHBondContact O-N 2.69Å; G234-A236 VanDerWaalsContact O-N 3.13Å; A236-T238 PolarHBondContact O-N 2.7Å; A236-Q239 PolarHBondContact O-N 3.15Å
237	L	42.1	Very low	41.3	Very low	72 Å²	72	112.8 Å²	112.8	38%	0.377	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-65.9	-20.4	-178	-79.9	162.5	0	0	0	114	D223 A235	D223-L237 WeakPolarHBondContact OD1-CD1 3.42Å; A235-L237 VanDerWaalsContact C-N 3.27Å; A235-L237 PolarHBondContact O-N 2.95Å
238	T	38.4	Very low	40.2	Very low	106 Å²	106	115.7 Å²	115.7	65%	0.65	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-78.2	-24.8	-175.7	-46.1	0	0	0	0	113.2	A235 A236 M240	A235-T238 PolarHBondContact O-N 2.88Å; A236-T238 PolarHBondContact O-N 2.7Å; T238-M240 VanDerWaalsContact C-N 3.33Å; T238-M240 PolarHBondContact O-N 2.92Å
239	Q	36.6	Very low	39.2	Very low	166 Å²	166	115.2 Å²	115.2	78%	0.776	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-76.8	-14.6	179.1	-79.9	179.6	-39.9	0	0	114.1	A236 M241	A236-Q239 PolarHBondContact O-N 3.15Å; Q239-M241 VanDerWaalsContact C-N 3.31Å; Q239-M241 PolarHBondContact O-N 3.36Å
240	M	37.8	Very low	38	Very low	135 Å²	135	116.7 Å²	116.7	67%	0.665	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-82.6	0.1	176.9	-77.2	-167.3	162.9	0	0	114.6	T238 K282	T238-M240 VanDerWaalsContact C-N 3.33Å; T238-M240 PolarHBondContact O-N 2.92Å; M240-K282 HydrophobicContact CE-CG 4.42Å
241	M	31.6	Very low	36.9	Very low	163 Å²	163	120.1 Å²	120.1	80%	0.803	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-92.8	8.8	-179.8	-64	-160	75	0	0	114.8	Q239	Q239-M241 VanDerWaalsContact C-N 3.31Å; Q239-M241 PolarHBondContact O-N 3.36Å
242	T	31.4	Very low	35.2	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.724	75%	0.75	S	S	*	*			trans	-131	55.9	-174.8	54.8	0	0	0	0	113.6
243	L	29.5	Very low	34.4	Very low	180 Å²	180	119.1 Å²	119.1	94%	0.942	75%	0.745	S	S	*	*			trans	-136.6	70.5	164.3	-101.1	170.4	0	0	0	109.7
244	D	32.6	Very low	33.2	Very low	155 Å²	155	121.2 Å²	121.2	83%	0.829	75%	0.745	S	S	*	*			trans	-128	130.1	-178.2	-149.6	1.8	0	0	0	108.8
245	N	27.1	Very low	32.3	Very low	152 Å²	152	129.5 Å²	129.5	81%	0.813	76%	0.761	S	S	*	*			trans	-156.7	148.8	176.6	-125	-0.9	0	0	0	109.5
246	P	40.6	Very low	31.8	Very low	105 Å²	105	131.6 Å²	131.6	68%	0.682	76%	0.764	S	S	*	*				-136.9	124.1	-111.3	32.4	-11.8	0	0	0	114.8
247	V	30.3	Very low	31.2	Very low	131 Å²	131	134.7 Å²	134.7	79%	0.794	77%	0.769	S	S	*	*	S	Bend	trans	-136.7	127.7	165.3	-174.1	0	0	0	0	110.8
248	N	27.1	Very low	30.3	Very low	157 Å²	157	140.5 Å²	140.5	84%	0.84	79%	0.788	S	S	*	*			trans	51.9	78	172.2	-69.4	-15.1	0	0	0	116.5
249	G	33	Very low	30.1	Very low	83 Å²	83	142 Å²	142	86%	0.856	80%	0.797	S	S	*	*			trans	-70.6	129.4	172.4	0	0	0	0	0	114.1
250	S	26.2	Very low	29.6	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	78%	0.784	S	S	*	*			trans	-150.5	95.8	149.6	63.5	0	0	0	0	109.4	P252	S250-P252 VanDerWaalsContact O-CD 3.29Å; S250-P252 WeakPolarHBondContact O-CD 3.35Å
251	S	28.8	Very low	29.1	Very low	122 Å²	122	139.7 Å²	139.7	85%	0.853	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82	119.2	178.2	-45	0	0	0	0	111.1
252	P	28.2	Very low	29.1	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83	126.4	154.7	4	16.8	0	0	0	107.7	S250 I254	S250-P252 VanDerWaalsContact O-CD 3.29Å; S250-P252 WeakPolarHBondContact O-CD 3.35Å; P252-I254 PolarHBondContact O-N 2.79Å
253	A	27.3	Very low	29.4	Very low	93 Å²	93	139 Å²	139	77%	0.769	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60.1	132.3	172.9	0	0	0	0	0	110.2	R255	A253-R255 PolarHBondContact O-N 3.19Å; A253-R255 VanDerWaalsContact O-N 3.11Å
254	I	25.3	Very low	29.9	Very low	164 Å²	164	138.7 Å²	138.7	84%	0.841	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-60.5	117.5	176.3	-64.5	176.6	0	0	0	108.4	P252 T256	P252-I254 PolarHBondContact O-N 2.79Å; I254-T256 PolarHBondContact O-N 2.76Å
255	R	21.9	Very low	30.5	Very low	225 Å²	225	135.2 Å²	135.2	85%	0.849	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-69.8	120.6	172.4	-80.3	178.9	162.2	-172	-5.3	109.3	A253 D257	A253-R255 PolarHBondContact O-N 3.19Å; A253-R255 VanDerWaalsContact O-N 3.11Å; R255-D257 PolarHBondContact O-N 3.05Å
256	T	30.3	Very low	31.5	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	73%	0.733	S	S	*	*	S	Bend	trans	-73.1	74.7	163.5	53.9	0	0	0	0	110	I254	I254-T256 PolarHBondContact O-N 2.76Å
257	D	28.7	Very low	31.9	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	73%	0.734	S	S	*	*			trans	-163.4	96	166.8	-98.9	-33.3	0	0	0	110.7	R255	R255-D257 PolarHBondContact O-N 3.05Å
258	Y	24.3	Very low	33	Very low	194 Å²	194	127 Å²	127	76%	0.761	71%	0.705	S	S	*	*			trans	-146.2	137.4	155.4	-158.8	-109.3	0	0	0	112.1
259	T	33.9	Very low	34.5	Very low	137 Å²	137	120.7 Å²	120.7	84%	0.84	67%	0.672	S	S	*	*			trans	-109.2	77.9	-178	51.1	0	0	0	0	110.8
260	G	25	Very low	35.6	Very low	49 Å²	49	117.1 Å²	117.1	51%	0.505	63%	0.633	S	S	.	*			trans	-94.7	162.2	165.3	0	0	0	0	0	112.1	K262	G260-K262 PolarHBondContact O-N 2.73Å; G260-K262 VanDerWaalsContact O-N 3.09Å
261	H	28.5	Very low	36.8	Very low	203 Å²	203	114 Å²	114	94%	0.94	62%	0.619	S	S	*	*			trans	-71.1	103.2	178.5	-98.8	-91.1	0	0	0	111.4	S263	H261-S263 PolarHBondContact O-N 2.97Å
262	K	30.9	Very low	38.2	Very low	181 Å²	181	109.1 Å²	109.1	79%	0.787	58%	0.582	S	S	*	*			trans	-61.5	117.2	163.5	-73.4	-167	173.4	-164.1	0	109.8	G260 K264	G260-K262 PolarHBondContact O-N 2.73Å; G260-K262 VanDerWaalsContact O-N 3.09Å; K262-K264 HydrophobicContact CB-CG 4.44Å; K262-K264 PolarHBondContact O-N 2.87Å
263	S	37.4	Very low	39.6	Very low	86 Å²	86	106 Å²	106	60%	0.601	56%	0.563	S	S	*	*			trans	-64.1	92.2	148.4	43.4	0	0	0	0	107.9	H261 D265	H261-S263 PolarHBondContact O-N 2.97Å; S263-D265 PolarHBondContact O-N 2.84Å
264	K	40	Very low	41	Very low	174 Å²	174	104 Å²	104	76%	0.757	54%	0.543	S	S	*	.	S	Bend	trans	-71.3	90.4	164.2	-77.6	-171	173.3	-170.8	0	107.8	K262	K262-K264 HydrophobicContact CB-CG 4.44Å; K262-K264 PolarHBondContact O-N 2.87Å
265	D	45.3	Very low	42.6	Very low	81 Å²	81	103.7 Å²	103.7	43%	0.433	54%	0.538	S	S	.	.			trans	150.6	74.6	141.6	-72	-20.3	0	0	0	111	S263 Q267	S263-D265 PolarHBondContact O-N 2.84Å; D265-Q267 HydrophobicContact CB-CG 4.17Å; D265-Q267 PolarHBondContact O-N 2.92Å
266	L	48.3	Very low	44.4	Very low	35 Å²	35	96.6 Å²	96.6	18%	0.183	52%	0.517	C	S	.	.			trans	-75.4	40.3	158.3	-95.5	165.3	0	0	0	111.1	L90 T268	L90-L266 HydrophobicContact CD1-CD2 4.26Å; L266-T268 PolarHBondContact O-N 3.42Å
267	Q	49.6	Very low	45.9	Very low	153 Å²	153	90.4 Å²	90.4	72%	0.715	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	2.3	175.8	-65.6	-170.4	-3.2	0	0	112.7	D265	D265-Q267 HydrophobicContact CB-CG 4.17Å; D265-Q267 PolarHBondContact O-N 2.92Å
268	T	53.4	Low	47.2	Very low	29 Å²	29	85 Å²	85	18%	0.178	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-4.3	-165.2	38.1	0	0	0	0	115.2	N154 L266 C270	N154-T268 PolarHBondContact ND2-O 2.89Å; L266-T268 PolarHBondContact O-N 3.42Å; T268-C270 VanDerWaalsContact C-N 3.3Å; T268-C270 PolarHBondContact O-N 2.85Å
269	V	57.9	Low	48.6	Very low	24 Å²	24	78.3 Å²	78.3	15%	0.145	43%	0.433	C	S	.	.			trans	-78.4	80.9	177.5	-172.1	0	0	0	0	110.6	L88 L90 K229 F272 I277	L88-V269 HydrophobicContact CD2-CG1 4.42Å; L88-V269 HydrophobicContact CD2-CG2 4.22Å; L90-V269 HydrophobicContact CD1-CG2 4.41Å; K229-V269 PolarHBondContact NZ-O 2.82Å; V269-F272 HydrophobicContact CG1-CD2 4.37Å; V269-I277 HydrophobicContact CG1-CD1 4.43Å
270	C	57	Low	49.8	Very low	7 Å²	7	72.9 Å²	72.9	5%	0.047	40%	0.398	C	S	.	.			trans	-57.9	170.8	172.2	-85.6	0	0	0	0	114.3	N154 C170 T268 F272	N154-C270 PolarHBondContact ND2-SG 2.72Å; C170-C270 WeakPolarHBondContact CA-SG 3.39Å; C170-C270 HydrophobicContact CB-CB 3.67Å; C170-C270 WeakPolarHBondContact CB-SG 3.39Å; C170-C270 PolarHBondContact N-SG 3.28Å; C170-C270 WeakPolarHBondContact SG-CA 3.05Å; C170-C270 WeakPolarHBondContact SG-CB 3.49Å; C170-C270 CovalentContact SG-SG 2.04Å; C170-C270 PolarHBondContact SG-SG 2.85Å; T268-C270 VanDerWaalsContact C-N 3.3Å; T268-C270 PolarHBondContact O-N 2.85Å; C270-F272 WeakPolarHBondContact O-CD2 3.03Å; C270-F272 PolarHBondContact O-N 2.89Å
271	G	52.1	Low	51.2	Low	43 Å²	43	72 Å²	72	44%	0.443	38%	0.38	S	S	.	.	S	Bend	trans	78.1	-77.3	164.2	0	0	0	0	0	114.7
272	F	57.2	Low	52.4	Low	20 Å²	20	67.8 Å²	67.8	9%	0.088	36%	0.359	C	S	.	.			trans	-61.4	149.2	-166.4	-54	-80.2	0	0	0	115	F158 F167 K229 V269 C270 D276 I277 M280	F158-F272 HydrophobicContact CB-CZ 4.31Å; F158-F272 HydrophobicContact CD1-CZ 4.48Å; F158-F272 HydrophobicContact CG-CZ 4.47Å; F167-F272 HydrophobicContact CD2-CE2 4.31Å; F167-F272 HydrophobicContact CD2-CZ 4.31Å; F167-F272 AromaticContact CE2-CE1 3.99Å; F167-F272 HydrophobicContact CE2-CE1 3.99Å; F167-F272 AromaticContact CE2-CE2 3.75Å; F167-F272 HydrophobicContact CE2-CE2 3.75Å; F167-F272 AromaticContact CE2-CZ 3.37Å; F167-F272 HydrophobicContact CE2-CZ 3.37Å; F167-F272 HydrophobicContact CZ-CD1 4.38Å; F167-F272 AromaticContact CZ-CE1 3.82Å; F167-F272 HydrophobicContact CZ-CE1 3.82Å; F167-F272 HydrophobicContact CZ-CE2 4.14Å; F167-F272 AromaticContact CZ-CZ 3.68Å; F167-F272 HydrophobicContact CZ-CZ 3.68Å; K229-F272 WeakPolarHBondContact CE-O 3.46Å; K229-F272 PolarHBondContact NZ-O 3.16Å; V269-F272 HydrophobicContact CG1-CD2 4.37Å; C270-F272 WeakPolarHBondContact O-CD2 3.03Å; C270-F272 PolarHBondContact O-N 2.89Å; F272-D276 WeakPolarHBondContact CA-OD2 3.44Å; F272-D276 HydrophobicContact CB-CB 4.32Å; F272-D276 HydrophobicContact CD1-CB 4.27Å; F272-I277 HydrophobicContact CB-CD1 4.07Å; F272-I277 HydrophobicContact CB-CG1 3.72Å; F272-I277 HydrophobicContact CG-CG1 4.43Å; F272-M280 HydrophobicContact CD1-CE 3.9Å; F272-M280 HydrophobicContact CD2-CE 4.41Å; F272-M280 HydrophobicContact CE1-CE 3.63Å; F272-M280 HydrophobicContact CE2-CE 4.18Å; F272-M280 HydrophobicContact CG-CE 4.27Å; F272-M280 HydrophobicContact CZ-CE 3.78Å
273	S	58.3	Low	53.5	Low	49 Å²	49	63.9 Å²	63.9	34%	0.343	34%	0.344	S	S	.	.			trans	-72.4	174.3	167.5	97	0	0	0	0	112.2	E275 D276 I277	S273-E275 PolarHBondContact O-N 2.53Å; S273-E275 PolarHBondContact OG-N 2.95Å; S273-D276 VanDerWaalsContact CB-OD1 3.29Å; S273-D276 WeakPolarHBondContact CB-OD1 3.34Å; S273-D276 WeakPolarHBondContact CB-OD2 3.26Å; S273-D276 PolarHBondContact N-OD2 3.49Å; S273-D276 PolarHBondContact OG-N 2.83Å; S273-D276 VanDerWaalsContact OG-N 3.14Å; S273-D276 PolarHBondContact OG-OD1 3.32Å; S273-I277 WeakPolarHBondContact O-CD1 3.3Å; S273-I277 WeakPolarHBondContact O-CG1 3.45Å
274	C	56.8	Low	54.2	Low	51 Å²	51	61.5 Å²	61.5	35%	0.345	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.2	171.6	-61.5	0	0	0	0	112.2	L226 C231 T278	L226-C274 HydrophobicContact CD2-CB 4.05Å; L226-C274 WeakPolarHBondContact CD2-O 3.5Å; C231-C274 HydrophobicContact CB-CB 3.96Å; C231-C274 WeakPolarHBondContact CB-SG 3.36Å; C231-C274 WeakPolarHBondContact SG-CB 3.37Å; C231-C274 CovalentContact SG-SG 2.05Å; C231-C274 PolarHBondContact SG-SG 2.92Å; C274-T278 PolarHBondContact O-OG1 3.24Å
275	E	57.7	Low	54.6	Low	157 Å²	157	61.3 Å²	61.3	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-36.2	-174.8	-62.8	-175.2	166.3	0	0	111.3	S273 I277 T278 S279	S273-E275 PolarHBondContact O-N 2.53Å; S273-E275 PolarHBondContact OG-N 2.95Å; E275-I277 PolarHBondContact O-N 3.1Å; E275-T278 CarbonylContact O-C 3.49Å; E275-T278 VanDerWaalsContact O-CA 3.29Å; E275-T278 WeakPolarHBondContact O-CA 3.05Å; E275-T278 VanDerWaalsContact O-CB 3.24Å; E275-T278 WeakPolarHBondContact O-CB 3.07Å; E275-T278 PolarHBondContact O-N 2.75Å; E275-S279 PolarHBondContact O-N 3.03Å
276	D	60.9	Low	54.6	Low	75 Å²	75	60.4 Å²	60.4	40%	0.401	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174	-28.1	-19	0	0	0	110.3	F272 S273 T278 S279 M280	F272-D276 WeakPolarHBondContact CA-OD2 3.44Å; F272-D276 HydrophobicContact CB-CB 4.32Å; F272-D276 HydrophobicContact CD1-CB 4.27Å; S273-D276 VanDerWaalsContact CB-OD1 3.29Å; S273-D276 WeakPolarHBondContact CB-OD1 3.34Å; S273-D276 WeakPolarHBondContact CB-OD2 3.26Å; S273-D276 PolarHBondContact N-OD2 3.49Å; S273-D276 PolarHBondContact OG-N 2.83Å; S273-D276 VanDerWaalsContact OG-N 3.14Å; S273-D276 PolarHBondContact OG-OD1 3.32Å; D276-T278 PolarHBondContact O-N 2.99Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-M280 VanDerWaalsContact O-CB 3.32Å; D276-M280 WeakPolarHBondContact O-CB 3.37Å; D276-M280 PolarHBondContact O-N 3.35Å
277	I	59.9	Low	54.5	Low	4 Å²	4	64.1 Å²	64.1	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-32.3	172.2	-64.9	167.9	0	0	0	110.3	L222 I225 L226 K229 V269 F272 S273 E275 F281	L222-I277 HydrophobicContact CD1-CG2 3.73Å; I225-I277 HydrophobicContact CG2-CD1 4.3Å; I225-I277 HydrophobicContact CG2-CG2 4.05Å; L226-I277 HydrophobicContact CD2-CB 4.46Å; L226-I277 HydrophobicContact CD2-CG2 4.31Å; K229-I277 HydrophobicContact CD-CD1 3.8Å; V269-I277 HydrophobicContact CG1-CD1 4.43Å; F272-I277 HydrophobicContact CB-CD1 4.07Å; F272-I277 HydrophobicContact CB-CG1 3.72Å; F272-I277 HydrophobicContact CG-CG1 4.43Å; S273-I277 WeakPolarHBondContact O-CD1 3.3Å; S273-I277 WeakPolarHBondContact O-CG1 3.45Å; E275-I277 PolarHBondContact O-N 3.1Å; I277-F281 HydrophobicContact CG2-CD2 4.21Å; I277-F281 HydrophobicContact CG2-CE2 4.42Å; I277-F281 VanDerWaalsContact O-CD2 3.32Å; I277-F281 WeakPolarHBondContact O-CD2 3.1Å; I277-F281 PolarHBondContact O-N 3.26Å
278	T	55.9	Low	54.1	Low	33 Å²	33	59.8 Å²	59.8	20%	0.202	33%	0.33	C	S	.	.	H	α-helix	trans	-75.6	-32.5	176.8	-61.8	0	0	0	0	112.6	L222 C274 E275 D276 K282	L222-T278 HydrophobicContact CD2-CG2 3.92Å; C274-T278 PolarHBondContact O-OG1 3.24Å; E275-T278 CarbonylContact O-C 3.49Å; E275-T278 VanDerWaalsContact O-CA 3.29Å; E275-T278 WeakPolarHBondContact O-CA 3.05Å; E275-T278 VanDerWaalsContact O-CB 3.24Å; E275-T278 WeakPolarHBondContact O-CB 3.07Å; E275-T278 PolarHBondContact O-N 2.75Å; D276-T278 PolarHBondContact O-N 2.99Å; T278-K282 VanDerWaalsContact O-CG 3.31Å; T278-K282 WeakPolarHBondContact O-CG 3.23Å; T278-K282 PolarHBondContact O-N 3.25Å
279	S	54.8	Low	53.8	Low	54 Å²	54	64.3 Å²	64.3	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-72.9	-50.4	173.8	-160.8	0	0	0	0	111.8	E275 D276 F281 K282 E283	E275-S279 PolarHBondContact O-N 3.03Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 VanDerWaalsContact O-N 3.1Å; S279-F281 PolarHBondContact O-N 3.02Å; S279-F281 VanDerWaalsContact O-N 3.15Å; S279-K282 WeakPolarHBondContact O-CA 3.37Å; S279-K282 WeakPolarHBondContact O-CB 3.05Å; S279-K282 PolarHBondContact O-N 2.99Å; S279-E283 PolarHBondContact O-N 3.41Å; S279-E283 VanDerWaalsContact O-N 3.09Å; S279-E283 PolarHBondContact OG-OE1 2.97Å
280	M	58	Low	53.1	Low	23 Å²	23	69.4 Å²	69.4	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-47.5	-46	176	-176.6	-165.1	-64	0	0	111.9	F158 F272 D276 L284	F158-M280 HydrophobicContact CD2-SD 4.43Å; F158-M280 HydrophobicContact CE1-CE 4.19Å; F158-M280 HydrophobicContact CE1-CG 4.48Å; F158-M280 HydrophobicContact CE2-CE 4.29Å; F158-M280 HydrophobicContact CE2-CG 4.19Å; F158-M280 HydrophobicContact CE2-SD 3.75Å; F158-M280 HydrophobicContact CZ-CE 4.05Å; F158-M280 HydrophobicContact CZ-CG 3.71Å; F158-M280 HydrophobicContact CZ-SD 3.78Å; F272-M280 HydrophobicContact CD1-CE 3.9Å; F272-M280 HydrophobicContact CD2-CE 4.41Å; F272-M280 HydrophobicContact CE1-CE 3.63Å; F272-M280 HydrophobicContact CE2-CE 4.18Å; F272-M280 HydrophobicContact CG-CE 4.27Å; F272-M280 HydrophobicContact CZ-CE 3.78Å; D276-M280 VanDerWaalsContact O-CB 3.32Å; D276-M280 WeakPolarHBondContact O-CB 3.37Å; D276-M280 PolarHBondContact O-N 3.35Å; M280-L284 WeakPolarHBondContact O-CG 3.3Å; M280-L284 PolarHBondContact O-N 2.04Å
281	F	55.2	Low	52.7	Low	31 Å²	31	72.9 Å²	72.9	14%	0.136	40%	0.403	C	S	.	.	H	α-helix	trans	-79.7	-11.2	178.4	-84.9	-96.9	0	0	0	115.5	T220 L222 I225 I277 S279 L284	T220-F281 VanDerWaalsContact O-CE1 3.24Å; T220-F281 WeakPolarHBondContact O-CE1 3.04Å; L222-F281 HydrophobicContact CD1-CB 4.37Å; I225-F281 HydrophobicContact CD1-CE1 4.25Å; I225-F281 HydrophobicContact CD1-CE2 3.61Å; I225-F281 HydrophobicContact CD1-CZ 3.43Å; I225-F281 VanDerWaalsContact CD1-CZ 3.43Å; I277-F281 HydrophobicContact CG2-CD2 4.21Å; I277-F281 HydrophobicContact CG2-CE2 4.42Å; I277-F281 VanDerWaalsContact O-CD2 3.32Å; I277-F281 WeakPolarHBondContact O-CD2 3.1Å; I277-F281 PolarHBondContact O-N 3.26Å; S279-F281 PolarHBondContact O-N 3.02Å; S279-F281 VanDerWaalsContact O-N 3.15Å; F281-L284 HydrophobicContact CD1-CD1 4.5Å
282	K	53.2	Low	52.3	Low	114 Å²	114	76.9 Å²	76.9	50%	0.496	41%	0.408	S	S	.	.	H	α-helix	trans	-78.4	-47.5	167.6	-75.1	167	-178.2	173.5	0	110.6	M240 T278 S279 L284 R285 G286	M240-K282 HydrophobicContact CE-CG 4.42Å; T278-K282 VanDerWaalsContact O-CG 3.31Å; T278-K282 WeakPolarHBondContact O-CG 3.23Å; T278-K282 PolarHBondContact O-N 3.25Å; S279-K282 WeakPolarHBondContact O-CA 3.37Å; S279-K282 WeakPolarHBondContact O-CB 3.05Å; S279-K282 PolarHBondContact O-N 2.99Å; K282-L284 PolarHBondContact O-N 2.85Å; K282-R285 PolarHBondContact O-N 2.86Å; K282-G286 PolarHBondContact O-N 3.19Å
283	E	54.6	Low	51.6	Low	99 Å²	99	83 Å²	83	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-56.1	-48.2	-178.4	-71.3	159.1	-133	0	0	111.2	S279 R285 G286	S279-E283 PolarHBondContact O-N 3.41Å; S279-E283 VanDerWaalsContact O-N 3.09Å; S279-E283 PolarHBondContact OG-OE1 2.97Å; E283-R285 PolarHBondContact O-N 3.03Å; E283-G286 PolarHBondContact O-N 2.82Å
284	L	51.4	Low	50.9	Low	36 Å²	36	86.3 Å²	86.3	19%	0.188	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.8	175.4	-69.1	172.9	0	0	0	114.7	E84 M280 F281 K282	E84-L284 HydrophobicContact CB-CD2 4.29Å; E84-L284 WeakPolarHBondContact O-CD2 3.29Å; M280-L284 WeakPolarHBondContact O-CG 3.3Å; M280-L284 PolarHBondContact O-N 2.04Å; F281-L284 HydrophobicContact CD1-CD1 4.5Å; K282-L284 PolarHBondContact O-N 2.85Å
285	R	49.2	Very low	50.4	Low	169 Å²	169	87 Å²	87	64%	0.638	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.2	-175.6	-68.4	-177.6	172.7	-154.7	-4.8	114.1	K282 E283 L287	K282-R285 PolarHBondContact O-N 2.86Å; E283-R285 PolarHBondContact O-N 3.03Å; R285-L287 PolarHBondContact O-N 3.46Å
286	G	44.7	Very low	49.8	Very low	63 Å²	63	84.7 Å²	84.7	65%	0.649	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.7	-168.3	0	0	0	0	0	115.6	K282 E283	K282-G286 PolarHBondContact O-N 3.19Å; E283-G286 PolarHBondContact O-N 2.82Å
287	L	46.7	Very low	49.1	Very low	112 Å²	112	87.7 Å²	87.7	59%	0.586	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0	-172.2	-104.7	70.5	0	0	0	115.5	R285 V289 V291	R285-L287 PolarHBondContact O-N 3.46Å; L287-V289 PolarHBondContact O-N 3.45Å; L287-V291 HydrophobicContact CB-CG2 4.46Å
288	N	42	Very low	48.4	Very low	62 Å²	62	93.9 Å²	93.9	33%	0.332	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.6	-162	-142.4	-67.4	0	0	0	114.9	K292	N288-K292 WeakPolarHBondContact O-CD 3.02Å; N288-K292 WeakPolarHBondContact OD1-CE 3.48Å; N288-K292 PolarHBondContact OD1-NZ 3.36Å
289	V	45.3	Very low	47.9	Very low	125 Å²	125	97.4 Å²	97.4	76%	0.758	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-48.2	-178.7	-178.4	0	0	0	0	112.3	L287	L287-V289 PolarHBondContact O-N 3.45Å
290	I	43.4	Very low	47.4	Very low	130 Å²	130	102.3 Å²	102.3	67%	0.667	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.4	-173.1	-60.7	174.7	0	0	0	110.9	K292 Q293	I290-K292 VanDerWaalsContact C-N 3.28Å; I290-K292 PolarHBondContact O-N 2.97Å; I290-Q293 PolarHBondContact O-N 3.26Å
291	V	49.4	Very low	46.8	Very low	80 Å²	80	105.8 Å²	105.8	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-34	-176.1	179.4	0	0	0	0	112.2	L287 Q293 L294 S295	L287-V291 HydrophobicContact CB-CG2 4.46Å; V291-Q293 PolarHBondContact O-N 2.96Å; V291-L294 PolarHBondContact O-N 2.93Å; V291-S295 VanDerWaalsContact O-CB 3.26Å; V291-S295 WeakPolarHBondContact O-CB 3.42Å; V291-S295 PolarHBondContact O-N 3.05Å
292	K	43.5	Very low	46.3	Very low	127 Å²	127	107.2 Å²	107.2	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-65.2	-23.4	177.1	-84.1	175.7	175.4	149.8	0	113.5	N288 I290 N296	N288-K292 WeakPolarHBondContact O-CD 3.02Å; N288-K292 WeakPolarHBondContact OD1-CE 3.48Å; N288-K292 PolarHBondContact OD1-NZ 3.36Å; I290-K292 VanDerWaalsContact C-N 3.28Å; I290-K292 PolarHBondContact O-N 2.97Å; K292-N296 PolarHBondContact O-ND2 2.75Å
293	Q	42.3	Very low	46	Very low	148 Å²	148	105.5 Å²	105.5	69%	0.692	56%	0.556	S	S	*	*	H	α-helix	trans	-77.8	-48.1	176.6	-164.9	160.1	-35.8	0	0	111.2	I290 V291 S295 N296	I290-Q293 PolarHBondContact O-N 3.26Å; V291-Q293 PolarHBondContact O-N 2.96Å; Q293-S295 PolarHBondContact O-N 2.04Å; Q293-N296 PolarHBondContact O-N 2.94Å
294	L	43.8	Very low	45.6	Very low	119 Å²	119	106.2 Å²	106.2	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-61.3	-40.5	173.8	-96.7	70.4	0	0	0	112.7	V291 N296 E297 L298	V291-L294 PolarHBondContact O-N 2.93Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.43Å; L294-E297 PolarHBondContact O-N 2.92Å; L294-L298 PolarHBondContact O-N 2.8Å
295	S	46.1	Very low	45.4	Very low	65 Å²	65	107.6 Å²	107.6	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-55.8	-41.6	-178.7	-175.1	0	0	0	0	112.5	V291 Q293 E297 L298 Q299	V291-S295 VanDerWaalsContact O-CB 3.26Å; V291-S295 WeakPolarHBondContact O-CB 3.42Å; V291-S295 PolarHBondContact O-N 3.05Å; Q293-S295 PolarHBondContact O-N 2.04Å; S295-E297 VanDerWaalsContact C-N 3.33Å; S295-E297 PolarHBondContact O-N 3.27Å; S295-L298 PolarHBondContact O-N 3.2Å; S295-Q299 VanDerWaalsContact O-CB 3.31Å; S295-Q299 WeakPolarHBondContact O-CB 3.24Å; S295-Q299 PolarHBondContact O-N 3.47Å
296	N	44.4	Very low	45.1	Very low	109 Å²	109	104.4 Å²	104.4	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-69.3	-26.5	178.4	-78.8	-66.6	0	0	0	113.7	K292 Q293 L294	K292-N296 PolarHBondContact O-ND2 2.75Å; Q293-N296 PolarHBondContact O-N 2.94Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.43Å
297	E	46.7	Very low	45.1	Very low	138 Å²	138	107.9 Å²	107.9	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-81.3	-42.5	175.3	-61.3	-165.5	149.9	0	0	111	L294 S295 Q299 K300	L294-E297 PolarHBondContact O-N 2.92Å; S295-E297 VanDerWaalsContact C-N 3.33Å; S295-E297 PolarHBondContact O-N 3.27Å; E297-Q299 VanDerWaalsContact C-N 3.35Å; E297-Q299 PolarHBondContact O-N 3.3Å; E297-K300 VanDerWaalsContact O-CB 3.27Å; E297-K300 WeakPolarHBondContact O-CB 3.24Å; E297-K300 PolarHBondContact O-N 2.79Å
298	L	44.8	Very low	44.9	Very low	135 Å²	135	108.4 Å²	108.4	71%	0.707	57%	0.574	S	S	*	*	H	α-helix	trans	-62.6	-40.2	177	-155.3	81.3	0	0	0	112.3	L294 S295 K300 V301 S302	L294-L298 PolarHBondContact O-N 2.8Å; S295-L298 PolarHBondContact O-N 3.2Å; L298-K300 PolarHBondContact O-N 3.35Å; L298-V301 PolarHBondContact O-N 3.28Å; L298-V301 VanDerWaalsContact O-N 3.14Å; L298-S302 PolarHBondContact O-N 3.02Å; L298-S302 VanDerWaalsContact O-N 3.1Å
299	Q	46.1	Very low	44.7	Very low	107 Å²	107	110.4 Å²	110.4	50%	0.5	58%	0.58	S	S	.	*	H	α-helix	trans	-61.6	-26.3	179.1	-165.3	170.6	28.1	0	0	112.7	S295 E297 T303	S295-Q299 VanDerWaalsContact O-CB 3.31Å; S295-Q299 WeakPolarHBondContact O-CB 3.24Å; S295-Q299 PolarHBondContact O-N 3.47Å; E297-Q299 VanDerWaalsContact C-N 3.35Å; E297-Q299 PolarHBondContact O-N 3.3Å; Q299-T303 PolarHBondContact O-N 3.01Å; Q299-T303 PolarHBondContact O-OG1 3.18Å
300	K	44.8	Very low	44.4	Very low	156 Å²	156	110.6 Å²	110.6	68%	0.678	58%	0.577	S	S	*	*	H	α-helix	trans	-75.3	-33.5	178.1	-156.9	177.2	-177.4	-176.9	0	112.8	E297 L298 T303	E297-K300 VanDerWaalsContact O-CB 3.27Å; E297-K300 WeakPolarHBondContact O-CB 3.24Å; E297-K300 PolarHBondContact O-N 2.79Å; L298-K300 PolarHBondContact O-N 3.35Å; K300-T303 PolarHBondContact O-OG1 2.77Å
301	V	45.1	Very low	44.2	Very low	97 Å²	97	112.7 Å²	112.7	59%	0.588	58%	0.584	S	S	*	*	H	α-helix	trans	-74.8	-34.2	173.5	-177.1	0	0	0	0	111	L298 D304 S305	L298-V301 PolarHBondContact O-N 3.28Å; L298-V301 VanDerWaalsContact O-N 3.14Å; V301-D304 PolarHBondContact O-N 3.47Å; V301-S305 PolarHBondContact O-N 3.46Å; V301-S305 PolarHBondContact O-OG 3.22Å
302	S	45.4	Very low	43.8	Very low	61 Å²	61	115.4 Å²	115.4	43%	0.427	59%	0.594	S	S	.	*	H	α-helix	trans	-61.9	-44	176.6	-172.3	0	0	0	0	112.6	L298 D304 S305 E306	L298-S302 PolarHBondContact O-N 3.02Å; L298-S302 VanDerWaalsContact O-N 3.1Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 3.07Å; S302-S305 WeakPolarHBondContact O-CB 3.47Å; S302-S305 PolarHBondContact O-N 2.68Å; S302-E306 PolarHBondContact O-N 3.49Å
303	T	46	Very low	43.3	Very low	77 Å²	77	116.2 Å²	116.2	47%	0.472	60%	0.603	S	S	.	*	H	α-helix	trans	-61.5	-33.3	179.6	40	0	0	0	0	114.2	Q299 K300 S305	Q299-T303 PolarHBondContact O-N 3.01Å; Q299-T303 PolarHBondContact O-OG1 3.18Å; K300-T303 PolarHBondContact O-OG1 2.77Å; T303-S305 VanDerWaalsContact C-N 3.32Å
304	D	46.8	Very low	43	Very low	114 Å²	114	116.3 Å²	116.3	61%	0.61	61%	0.607	S	S	*	*	H	α-helix	trans	-74.5	-26.6	176.4	-69.2	-12.4	0	0	0	111.6	V301 S302	V301-D304 PolarHBondContact O-N 3.47Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 3.07Å
305	S	47.4	Very low	42.7	Very low	65 Å²	65	118.6 Å²	118.6	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-80.1	-35	175.9	-60.2	0	0	0	0	113.1	V301 S302 T303 L307 L308 K309	V301-S305 PolarHBondContact O-N 3.46Å; V301-S305 PolarHBondContact O-OG 3.22Å; S302-S305 WeakPolarHBondContact O-CB 3.47Å; S302-S305 PolarHBondContact O-N 2.68Å; T303-S305 VanDerWaalsContact C-N 3.32Å; S305-L307 PolarHBondContact O-N 2.66Å; S305-L308 PolarHBondContact O-N 3.18Å; S305-L308 VanDerWaalsContact O-N 3.13Å; S305-K309 PolarHBondContact O-N 3.44Å
306	E	42.2	Very low	42.6	Very low	102 Å²	102	122.7 Å²	122.7	48%	0.477	62%	0.624	S	S	.	*	H	α-helix	trans	-62.9	-30.9	175.4	-72.7	-141.5	118.4	0	0	113	S302 L308 K309 N310	S302-E306 PolarHBondContact O-N 3.49Å; E306-L308 PolarHBondContact O-N 3.37Å; E306-K309 PolarHBondContact O-N 2.7Å; E306-N310 WeakPolarHBondContact O-CB 3.48Å; E306-N310 PolarHBondContact O-N 2.96Å; E306-N310 VanDerWaalsContact O-N 3.09Å; E306-N310 PolarHBondContact O-ND2 2.77Å
307	L	43.7	Very low	42.9	Very low	136 Å²	136	124 Å²	124	71%	0.712	63%	0.627	S	S	*	*	H	α-helix	trans	-64	-28.1	175.3	-110	163.7	0	0	0	113	S305	S305-L307 PolarHBondContact O-N 2.66Å
308	L	44.4	Very low	43.4	Very low	123 Å²	123	118.6 Å²	118.6	64%	0.644	60%	0.603	S	S	*	*	H	α-helix	trans	-84.1	-43.3	171.5	-71.9	159.2	0	0	0	111.7	S305 E306 N310 Q311	S305-L308 PolarHBondContact O-N 3.18Å; S305-L308 VanDerWaalsContact O-N 3.13Å; E306-L308 PolarHBondContact O-N 3.37Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.08Å; L308-Q311 PolarHBondContact O-N 3.09Å
309	K	36.1	Very low	44.3	Very low	105 Å²	105	112.3 Å²	112.3	46%	0.457	57%	0.57	S	S	.	*	H	α-helix	trans	-58.6	-38.7	-176.6	-144.8	174.1	-172.4	178.8	0	112.3	E189 S305 E306 Q311 I312	E189-K309 IonicContact OE2-NZ 2.9Å; S305-K309 PolarHBondContact O-N 3.44Å; E306-K309 PolarHBondContact O-N 2.7Å; K309-Q311 PolarHBondContact O-N 2.87Å; K309-I312 PolarHBondContact O-N 3.4Å
310	N	38.7	Very low	45	Very low	129 Å²	129	113.2 Å²	113.2	69%	0.69	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-0.3	-176.9	-79.6	-67.5	0	0	0	115.8	E306 L308	E306-N310 WeakPolarHBondContact O-CB 3.48Å; E306-N310 PolarHBondContact O-N 2.96Å; E306-N310 VanDerWaalsContact O-N 3.09Å; E306-N310 PolarHBondContact O-ND2 2.77Å; L308-N310 VanDerWaalsContact C-N 3.3Å; L308-N310 PolarHBondContact O-N 3.08Å
311	Q	39.3	Very low	45.5	Very low	173 Å²	173	107.9 Å²	107.9	81%	0.808	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-10.3	172	-69.9	-166.4	-20.3	0	0	114.4	L308 K309	L308-Q311 PolarHBondContact O-N 3.09Å; K309-Q311 PolarHBondContact O-N 2.87Å
312	I	41.1	Very low	45.6	Very low	138 Å²	138	109.4 Å²	109.4	71%	0.708	56%	0.56	S	S	*	*	S	Bend	trans	-106	-13.9	-161	-64.6	176.5	0	0	0	113.7	K309	K309-I312 PolarHBondContact O-N 3.4Å
313	I	33.6	Very low	45.8	Very low	143 Å²	143	110 Å²	110	73%	0.733	58%	0.575	S	S	*	*			trans	-109.9	96.9	-175.6	-52.5	179.7	0	0	0	111.6
314	I	35.7	Very low	46.2	Very low	150 Å²	150	110.8 Å²	110.8	77%	0.769	58%	0.575	S	S	*	*	S	Bend	trans	-170.6	96	136.1	-93.7	149.2	0	0	0	108.3
315	R	37.3	Very low	47.2	Very low	167 Å²	167	110 Å²	110	63%	0.63	57%	0.568	S	S	*	*			trans	152.7	131.1	142.3	-84.5	162.3	176.1	-153.6	-5.2	111	V318 E325	R315-V318 HydrophobicContact CB-CG2 3.67Å; R315-E325 WeakPolarHBondContact CD-OE1 3.41Å; R315-E325 IonicContact CZ-OE1 3.65Å; R315-E325 IonicContact NE-OE1 3.94Å; R315-E325 IonicContact NH1-OE1 2.77Å; R315-E325 PolarHBondContact NH1-OE1 3.01Å
316	N	43.9	Very low	48.3	Very low	152 Å²	152	109.1 Å²	109.1	81%	0.813	56%	0.555	S	S	*	*	S	Bend	trans	-91.1	156.7	170.4	-65.5	3.7	0	0	0	109.7	V318	N316-V318 WeakPolarHBondContact O-CG2 3.37Å
317	E	51	Low	49.6	Very low	137 Å²	137	108.2 Å²	108.2	64%	0.64	55%	0.553	S	S	*	*	S	Bend	trans	67.3	36.1	-179.2	-56.7	-178.5	-173	0	0	114.1	D328 S345	E317-D328 HydrophobicContact CB-CB 4.27Å; E317-D328 PolarHBondContact O-N 2.86Å; E317-S345 PolarHBondContact N-OG 2.04Å
318	V	58.3	Low	50.5	Low	24 Å²	24	103.3 Å²	103.3	15%	0.145	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.1	-178.6	-152.1	0	0	0	0	110.8	R315 N316 E325 Y326	R315-V318 HydrophobicContact CB-CG2 3.67Å; N316-V318 WeakPolarHBondContact O-CG2 3.37Å; V318-E325 HydrophobicContact CB-CG 4.45Å; V318-E325 HydrophobicContact CG1-CB 4.5Å; V318-E325 HydrophobicContact CG1-CG 3.31Å; V318-Y326 CarbonylContact C-O 3.51Å; V318-Y326 WeakPolarHBondContact CA-O 3.05Å; V318-Y326 WeakPolarHBondContact CG1-O 3.01Å
319	C	62.6	Low	51.7	Low	3 Å²	3	104.7 Å²	104.7	2%	0.02	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.4	174.7	-64.1	0	0	0	0	110.5	Y326 W332 C342 A346 T347	C319-Y326 PolarHBondContact N-O 2.89Å; C319-Y326 PolarHBondContact O-N 3.23Å; C319-W332 HydrophobicContact CB-CH2 3.84Å; C319-C342 HydrophobicContact CB-CB 3.68Å; C319-C342 WeakPolarHBondContact CB-SG 3.37Å; C319-C342 PolarHBondContact N-SG 2.94Å; C319-C342 WeakPolarHBondContact SG-CA 3.48Å; C319-C342 WeakPolarHBondContact SG-CB 3.5Å; C319-C342 CovalentContact SG-SG 2.04Å; C319-C342 PolarHBondContact SG-SG 2.65Å; C319-A346 VanDerWaalsContact SG-C 3.51Å; C319-T347 WeakPolarHBondContact CB-OG1 3.32Å
320	I	60.7	Low	53.3	Low	125 Å²	125	102.8 Å²	102.8	64%	0.641	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.5	176.2	-59.5	176.3	0	0	0	109.5	I324	I320-I324 WeakPolarHBondContact CA-O 3.31Å
321	H	56.3	Low	54.8	Low	44 Å²	44	103.2 Å²	103.2	20%	0.204	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.7	172.9	-160	-59.7	0	0	0	110.8	G323 I324 Y326 W332 V334	H321-G323 PolarHBondContact O-N 2.99Å; H321-I324 PolarHBondContact N-O 2.7Å; H321-I324 PolarHBondContact O-N 2.88Å; H321-Y326 HydrophobicContact CB-CD2 4.38Å; H321-Y326 HydrophobicContact CB-CE2 4.04Å; H321-W332 HydrophobicContact CB-CZ2 3.84Å; H321-W332 AromaticContact CG-NE1 3.8Å; H321-V334 WeakPolarHBondContact CE1-CG1 3.49Å; H321-V334 VanDerWaalsContact CE1-CG2 3.48Å; H321-V334 WeakPolarHBondContact CE1-CG2 3.37Å; H321-V334 WeakPolarHBondContact NE2-CG2 3.45Å
322	N	46	Very low	56.4	Low	130 Å²	130	95.9 Å²	95.9	70%	0.695	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	29.5	-176.3	-65.6	-11.8	0	0	0	114.5	I324	N322-I324 VanDerWaalsContact C-N 3.33Å
323	G	50.8	Low	57.2	Low	72 Å²	72	93.8 Å²	93.8	74%	0.742	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	9.9	-177.4	0	0	0	0	0	115.2	H321	H321-G323 PolarHBondContact O-N 2.99Å
324	I	54.7	Low	58.7	Low	95 Å²	95	88.9 Å²	88.9	49%	0.487	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	141.4	172.7	-58	176.3	0	0	0	109.1	I320 H321 N322 Y326	I320-I324 WeakPolarHBondContact CA-O 3.31Å; H321-I324 PolarHBondContact N-O 2.7Å; H321-I324 PolarHBondContact O-N 2.88Å; N322-I324 VanDerWaalsContact C-N 3.33Å; I324-Y326 HydrophobicContact CB-CD2 4.47Å; I324-Y326 HydrophobicContact CB-CE2 3.65Å; I324-Y326 HydrophobicContact CG2-CD2 4.26Å; I324-Y326 HydrophobicContact CG2-CE1 4.14Å; I324-Y326 HydrophobicContact CG2-CE2 3.63Å; I324-Y326 WeakPolarHBondContact O-CD2 3.5Å
325	E	68	Low	59.6	Low	97 Å²	97	85.8 Å²	85.8	45%	0.453	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.9	-175.2	-179.4	-173.9	157.5	0	0	110.1	R315 V318	R315-E325 WeakPolarHBondContact CD-OE1 3.41Å; R315-E325 IonicContact CZ-OE1 3.65Å; R315-E325 IonicContact NE-OE1 3.94Å; R315-E325 IonicContact NH1-OE1 2.77Å; R315-E325 PolarHBondContact NH1-OE1 3.01Å; V318-E325 HydrophobicContact CB-CG 4.45Å; V318-E325 HydrophobicContact CG1-CB 4.5Å; V318-E325 HydrophobicContact CG1-CG 3.31Å
326	Y	70.1	Confident	60.3	Low	46 Å²	46	79 Å²	79	18%	0.18	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.7	-175.3	-61	-88.8	0	0	0	111.4	V318 C319 H321 I324 W332	V318-Y326 CarbonylContact C-O 3.51Å; V318-Y326 WeakPolarHBondContact CA-O 3.05Å; V318-Y326 WeakPolarHBondContact CG1-O 3.01Å; C319-Y326 PolarHBondContact N-O 2.89Å; C319-Y326 PolarHBondContact O-N 3.23Å; H321-Y326 HydrophobicContact CB-CD2 4.38Å; H321-Y326 HydrophobicContact CB-CE2 4.04Å; I324-Y326 HydrophobicContact CB-CD2 4.47Å; I324-Y326 HydrophobicContact CB-CE2 3.65Å; I324-Y326 HydrophobicContact CG2-CD2 4.26Å; I324-Y326 HydrophobicContact CG2-CE1 4.14Å; I324-Y326 HydrophobicContact CG2-CE2 3.63Å; I324-Y326 WeakPolarHBondContact O-CD2 3.5Å; Y326-W332 VanDerWaalsContact CB-CZ3 3.48Å; Y326-W332 HydrophobicContact CD1-CB 4.08Å; Y326-W332 AromaticContact CD1-CD2 3.6Å; Y326-W332 HydrophobicContact CD1-CD2 3.6Å; Y326-W332 AromaticContact CD1-CE3 3.54Å; Y326-W332 HydrophobicContact CD1-CE3 3.54Å; Y326-W332 AromaticContact CD1-CG 3.86Å; Y326-W332 HydrophobicContact CD1-CG 3.86Å; Y326-W332 HydrophobicContact CD1-CZ3 4.19Å; Y326-W332 AromaticContact CD2-CD2 3.91Å; Y326-W332 HydrophobicContact CD2-CD2 3.91Å; Y326-W332 AromaticContact CD2-CE2 3.73Å; Y326-W332 HydrophobicContact CD2-CE3 4.19Å; Y326-W332 HydrophobicContact CD2-CG 4.46Å; Y326-W332 HydrophobicContact CD2-CH2 4.17Å; Y326-W332 AromaticContact CD2-CZ2 3.87Å; Y326-W332 HydrophobicContact CD2-CZ2 3.87Å; Y326-W332 HydrophobicContact CD2-CZ3 4.31Å; Y326-W332 HydrophobicContact CE1-CB 3.52Å; Y326-W332 AromaticContact CE1-CD1 3.96Å; Y326-W332 AromaticContact CE1-CD2 3.7Å; Y326-W332 HydrophobicContact CE1-CD2 3.7Å; Y326-W332 HydrophobicContact CE1-CE3 4.11Å; Y326-W332 AromaticContact CE1-CG 3.43Å; Y326-W332 HydrophobicContact CE1-CG 3.43Å; Y326-W332 VanDerWaalsContact CE1-CG 3.43Å; Y326-W332 AromaticContact CE2-CD1 3.94Å; Y326-W332 AromaticContact CE2-CD2 4Å; Y326-W332 HydrophobicContact CE2-CD2 4Å; Y326-W332 AromaticContact CE2-CE2 3.78Å; Y326-W332 HydrophobicContact CE2-CG 4.1Å; Y326-W332 HydrophobicContact CE2-CZ2 4.3Å; Y326-W332 AromaticContact CE2-NE1 3.75Å; Y326-W332 AromaticContact CG-CD2 3.71Å; Y326-W332 HydrophobicContact CG-CD2 3.71Å; Y326-W332 AromaticContact CG-CE2 3.99Å; Y326-W332 AromaticContact CG-CE3 3.58Å; Y326-W332 HydrophobicContact CG-CE3 3.58Å; Y326-W332 HydrophobicContact CG-CG 4.34Å; Y326-W332 HydrophobicContact CG-CH2 4.07Å; Y326-W332 HydrophobicContact CG-CZ2 4.17Å; Y326-W332 AromaticContact CG-CZ3 3.77Å; Y326-W332 HydrophobicContact CG-CZ3 3.77Å; Y326-W332 AromaticContact CZ-CD1 3.57Å; Y326-W332 AromaticContact CZ-CD2 3.88Å; Y326-W332 AromaticContact CZ-CG 3.55Å; Y326-W332 AromaticContact CZ-NE1 3.89Å
327	N	70.3	Confident	61	Low	83 Å²	83	73.5 Å²	73.5	44%	0.444	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	162.8	-174.3	-46.7	-93.1	0	0	0	111.9	K329 D330 C342	N327-K329 PolarHBondContact O-N 3.45Å; N327-D330 WeakPolarHBondContact CB-OD2 3.46Å; N327-D330 PolarHBondContact N-OD2 3.45Å; N327-D330 PolarHBondContact ND2-OD2 3.36Å; N327-D330 VanDerWaalsContact O-CB 3.31Å; N327-D330 WeakPolarHBondContact O-CB 3.2Å; N327-D330 PolarHBondContact O-N 3.49Å; N327-C342 VanDerWaalsContact O-CB 3.3Å; N327-C342 WeakPolarHBondContact O-CB 3.1Å
328	D	62.5	Low	61.9	Low	33 Å²	33	67.7 Å²	67.7	18%	0.176	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	126.9	172.8	-171.9	67.5	0	0	0	112.3	E317 D330 Q343 N344	E317-D328 HydrophobicContact CB-CB 4.27Å; E317-D328 PolarHBondContact O-N 2.86Å; D328-D330 VanDerWaalsContact C-N 3.34Å; D328-Q343 VanDerWaalsContact OD1-CA 3.29Å; D328-Q343 WeakPolarHBondContact OD1-CA 3.49Å; D328-N344 PolarHBondContact OD1-N 2.77Å
329	K	68.1	Low	62.6	Low	153 Å²	153	70.9 Å²	70.9	67%	0.665	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	7.8	-171.2	-49.2	169.6	-167.2	70.9	0	116.7	N327 C342	N327-K329 PolarHBondContact O-N 3.45Å; K329-C342 WeakPolarHBondContact CA-O 3.05Å; K329-C342 PolarHBondContact N-O 3.3Å
330	D	70.5	Confident	63.3	Low	64 Å²	64	70.8 Å²	70.8	34%	0.342	38%	0.383	S	S	.	.			trans	-66.4	139	161.3	-75.1	-25.4	0	0	0	109.7	N327 D328 W332 C342	N327-D330 WeakPolarHBondContact CB-OD2 3.46Å; N327-D330 PolarHBondContact N-OD2 3.45Å; N327-D330 PolarHBondContact ND2-OD2 3.36Å; N327-D330 VanDerWaalsContact O-CB 3.31Å; N327-D330 WeakPolarHBondContact O-CB 3.2Å; N327-D330 PolarHBondContact O-N 3.49Å; D328-D330 VanDerWaalsContact C-N 3.34Å; D330-W332 HydrophobicContact CB-CE3 4.45Å; D330-W332 VanDerWaalsContact O-CZ3 3.32Å; D330-W332 WeakPolarHBondContact O-CZ3 3.36Å; D330-C342 PolarHBondContact O-N 2.72Å
331	E	70.6	Confident	64.1	Low	139 Å²	139	65 Å²	65	65%	0.65	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.7	176.5	-50.6	-167.1	128.9	0	0	109	C340 T341	E331-C340 WeakPolarHBondContact CA-O 3.37Å; E331-T341 HydrophobicContact CB-CG2 4.14Å; E331-T341 HydrophobicContact CG-CG2 3.71Å; E331-T341 WeakPolarHBondContact OE1-CG2 3.45Å
332	W	73.2	Confident	64.9	Low	18 Å²	18	62.9 Å²	62.9	7%	0.068	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	153	-179.4	69.3	96.3	0	0	0	112.5	C319 H321 Y326 D330 C340 C342 T347	C319-W332 HydrophobicContact CB-CH2 3.84Å; H321-W332 HydrophobicContact CB-CZ2 3.84Å; H321-W332 AromaticContact CG-NE1 3.8Å; Y326-W332 VanDerWaalsContact CB-CZ3 3.48Å; Y326-W332 HydrophobicContact CD1-CB 4.08Å; Y326-W332 AromaticContact CD1-CD2 3.6Å; Y326-W332 HydrophobicContact CD1-CD2 3.6Å; Y326-W332 AromaticContact CD1-CE3 3.54Å; Y326-W332 HydrophobicContact CD1-CE3 3.54Å; Y326-W332 AromaticContact CD1-CG 3.86Å; Y326-W332 HydrophobicContact CD1-CG 3.86Å; Y326-W332 HydrophobicContact CD1-CZ3 4.19Å; Y326-W332 AromaticContact CD2-CD2 3.91Å; Y326-W332 HydrophobicContact CD2-CD2 3.91Å; Y326-W332 AromaticContact CD2-CE2 3.73Å; Y326-W332 HydrophobicContact CD2-CE3 4.19Å; Y326-W332 HydrophobicContact CD2-CG 4.46Å; Y326-W332 HydrophobicContact CD2-CH2 4.17Å; Y326-W332 AromaticContact CD2-CZ2 3.87Å; Y326-W332 HydrophobicContact CD2-CZ2 3.87Å; Y326-W332 HydrophobicContact CD2-CZ3 4.31Å; Y326-W332 HydrophobicContact CE1-CB 3.52Å; Y326-W332 AromaticContact CE1-CD1 3.96Å; Y326-W332 AromaticContact CE1-CD2 3.7Å; Y326-W332 HydrophobicContact CE1-CD2 3.7Å; Y326-W332 HydrophobicContact CE1-CE3 4.11Å; Y326-W332 AromaticContact CE1-CG 3.43Å; Y326-W332 HydrophobicContact CE1-CG 3.43Å; Y326-W332 VanDerWaalsContact CE1-CG 3.43Å; Y326-W332 AromaticContact CE2-CD1 3.94Å; Y326-W332 AromaticContact CE2-CD2 4Å; Y326-W332 HydrophobicContact CE2-CD2 4Å; Y326-W332 AromaticContact CE2-CE2 3.78Å; Y326-W332 HydrophobicContact CE2-CG 4.1Å; Y326-W332 HydrophobicContact CE2-CZ2 4.3Å; Y326-W332 AromaticContact CE2-NE1 3.75Å; Y326-W332 AromaticContact CG-CD2 3.71Å; Y326-W332 HydrophobicContact CG-CD2 3.71Å; Y326-W332 AromaticContact CG-CE2 3.99Å; Y326-W332 AromaticContact CG-CE3 3.58Å; Y326-W332 HydrophobicContact CG-CE3 3.58Å; Y326-W332 HydrophobicContact CG-CG 4.34Å; Y326-W332 HydrophobicContact CG-CH2 4.07Å; Y326-W332 HydrophobicContact CG-CZ2 4.17Å; Y326-W332 AromaticContact CG-CZ3 3.77Å; Y326-W332 HydrophobicContact CG-CZ3 3.77Å; Y326-W332 AromaticContact CZ-CD1 3.57Å; Y326-W332 AromaticContact CZ-CD2 3.88Å; Y326-W332 AromaticContact CZ-CG 3.55Å; Y326-W332 AromaticContact CZ-NE1 3.89Å; D330-W332 HydrophobicContact CB-CE3 4.45Å; D330-W332 VanDerWaalsContact O-CZ3 3.32Å; D330-W332 WeakPolarHBondContact O-CZ3 3.36Å; W332-C340 HydrophobicContact CD2-CB 4.39Å; W332-C340 HydrophobicContact CZ2-CB 4.17Å; W332-C340 PolarHBondContact N-O 2.84Å; W332-C340 PolarHBondContact O-N 2.81Å; W332-C342 HydrophobicContact CH2-CB 3.91Å; W332-C342 HydrophobicContact CZ3-CB 3.73Å; W332-T347 HydrophobicContact CH2-CG2 3.82Å; W332-T347 HydrophobicContact CZ2-CG2 3.44Å; W332-T347 VanDerWaalsContact CZ2-CG2 3.44Å
333	T	57.9	Low	65.9	Low	95 Å²	95	61.1 Å²	61.1	58%	0.583	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.8	170.5	43.5	0	0	0	0	110.6	T338	T333-T338 WeakPolarHBondContact CA-O 3.32Å
334	V	64.8	Low	66.4	Low	39 Å²	39	64.7 Å²	64.7	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-38.7	180	163.1	0	0	0	0	111.6	H321 T338 C340	H321-V334 WeakPolarHBondContact CE1-CG1 3.49Å; H321-V334 VanDerWaalsContact CE1-CG2 3.48Å; H321-V334 WeakPolarHBondContact CE1-CG2 3.37Å; H321-V334 WeakPolarHBondContact NE2-CG2 3.45Å; V334-T338 PolarHBondContact N-O 2.72Å; V334-C340 HydrophobicContact CG2-CB 4.17Å; V334-C340 WeakPolarHBondContact CG2-SG 3.24Å
335	D	53.6	Low	66.7	Low	85 Å²	85	63.3 Å²	63.3	46%	0.455	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-173.8	169.9	60.5	23.8	0	0	0	107.6	C337 T338	D335-C337 PolarHBondContact O-N 2.93Å; D335-C337 VanDerWaalsContact O-N 3.12Å; D335-C337 VanDerWaalsContact OD1-CA 3.3Å; D335-C337 WeakPolarHBondContact OD1-CA 3.39Å; D335-C337 WeakPolarHBondContact OD1-CB 3.27Å; D335-C337 PolarHBondContact OD1-N 2.92Å; D335-T338 VanDerWaalsContact OD1-CB 3.24Å; D335-T338 WeakPolarHBondContact OD1-CB 3.18Å; D335-T338 PolarHBondContact OD1-N 2.93Å; D335-T338 PolarHBondContact OD1-OG1 3.44Å; D335-T338 PolarHBondContact OD2-OG1 3.39Å
336	G	53.6	Low	65.7	Low	24 Å²	24	61.2 Å²	61.2	25%	0.247	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.1	177.6	0	0	0	0	0	115.3	G367 E368 C369	G336-G367 VanDerWaalsContact CA-C 3.48Å; G336-G367 WeakPolarHBondContact CA-O 3.42Å; G336-E368 CarbonylContact O-C 3.45Å; G336-C369 WeakPolarHBondContact O-CA 3.42Å; G336-C369 VanDerWaalsContact O-CB 3.23Å; G336-C369 WeakPolarHBondContact O-CB 3.23Å; G336-C369 PolarHBondContact O-N 2.8Å
337	C	57.9	Low	65.7	Low	37 Å²	37	61.3 Å²	61.3	25%	0.25	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-18.1	-173.4	-86.6	0	0	0	0	116	D335 I352 C369	D335-C337 PolarHBondContact O-N 2.93Å; D335-C337 VanDerWaalsContact O-N 3.12Å; D335-C337 VanDerWaalsContact OD1-CA 3.3Å; D335-C337 WeakPolarHBondContact OD1-CA 3.39Å; D335-C337 WeakPolarHBondContact OD1-CB 3.27Å; D335-C337 PolarHBondContact OD1-N 2.92Å; C337-I352 WeakPolarHBondContact O-CG1 3.5Å; C337-I352 PolarHBondContact O-N 2.82Å; C337-C369 WeakPolarHBondContact CA-SG 3.4Å; C337-C369 HydrophobicContact CB-CB 3.82Å; C337-C369 WeakPolarHBondContact CB-SG 3.32Å; C337-C369 WeakPolarHBondContact SG-CA 3.35Å; C337-C369 WeakPolarHBondContact SG-CB 3.12Å; C337-C369 CovalentContact SG-SG 2.04Å; C337-C369 PolarHBondContact SG-SG 2.93Å
338	T	68.8	Low	65.7	Low	15 Å²	15	60.9 Å²	60.9	9%	0.092	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	104.4	-160.1	-43.2	0	0	0	0	110	T333 V334 D335 C349	T333-T338 WeakPolarHBondContact CA-O 3.32Å; V334-T338 PolarHBondContact N-O 2.72Å; D335-T338 VanDerWaalsContact OD1-CB 3.24Å; D335-T338 WeakPolarHBondContact OD1-CB 3.18Å; D335-T338 PolarHBondContact OD1-N 2.93Å; D335-T338 PolarHBondContact OD1-OG1 3.44Å; D335-T338 PolarHBondContact OD2-OG1 3.39Å; T338-C349 HydrophobicContact CG2-CB 3.81Å
339	E	73.9	Confident	66	Low	92 Å²	92	62.1 Å²	62.1	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.9	175.4	-172.8	171	-109.7	0	0	108.4	R350	E339-R350 PolarHBondContact N-O 3.15Å; E339-R350 VanDerWaalsContact N-O 3.14Å; E339-R350 PolarHBondContact O-N 3.14Å
340	C	76.6	Confident	65.9	Low	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.2	-171.7	-57.2	0	0	0	0	110.6	E331 W332 V334 T347 I348 C349	E331-C340 WeakPolarHBondContact CA-O 3.37Å; W332-C340 HydrophobicContact CD2-CB 4.39Å; W332-C340 HydrophobicContact CZ2-CB 4.17Å; W332-C340 PolarHBondContact N-O 2.84Å; W332-C340 PolarHBondContact O-N 2.81Å; V334-C340 HydrophobicContact CG2-CB 4.17Å; V334-C340 WeakPolarHBondContact CG2-SG 3.24Å; C340-T347 HydrophobicContact CB-CG2 3.81Å; C340-I348 WeakPolarHBondContact CA-O 3.26Å; C340-C349 HydrophobicContact CB-CB 4.11Å; C340-C349 WeakPolarHBondContact CB-SG 3.04Å; C340-C349 VanDerWaalsContact SG-CA 3.54Å; C340-C349 WeakPolarHBondContact SG-CB 3.48Å; C340-C349 CovalentContact SG-SG 2.04Å; C340-C349 PolarHBondContact SG-SG 2.71Å
341	T	78.2	Confident	64.9	Low	3 Å²	3	66.2 Å²	66.2	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.2	-176.6	64.2	0	0	0	0	109.1	E331 Q343 I348 R350	E331-T341 HydrophobicContact CB-CG2 4.14Å; E331-T341 HydrophobicContact CG-CG2 3.71Å; E331-T341 WeakPolarHBondContact OE1-CG2 3.45Å; T341-Q343 PolarHBondContact O-N 3.29Å; T341-I348 PolarHBondContact N-O 3.03Å; T341-I348 PolarHBondContact O-N 3.07Å; T341-I348 PolarHBondContact OG1-O 2.93Å; T341-R350 PolarHBondContact OG1-NH2 3.41Å
342	C	73.9	Confident	64.2	Low	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.3	173.6	-171.9	0	0	0	0	109.5	C319 N327 K329 D330 W332	C319-C342 HydrophobicContact CB-CB 3.68Å; C319-C342 WeakPolarHBondContact CB-SG 3.37Å; C319-C342 PolarHBondContact N-SG 2.94Å; C319-C342 WeakPolarHBondContact SG-CA 3.48Å; C319-C342 WeakPolarHBondContact SG-CB 3.5Å; C319-C342 CovalentContact SG-SG 2.04Å; C319-C342 PolarHBondContact SG-SG 2.65Å; N327-C342 VanDerWaalsContact O-CB 3.3Å; N327-C342 WeakPolarHBondContact O-CB 3.1Å; K329-C342 WeakPolarHBondContact CA-O 3.05Å; K329-C342 PolarHBondContact N-O 3.3Å; D330-C342 PolarHBondContact O-N 2.72Å; W332-C342 HydrophobicContact CH2-CB 3.91Å; W332-C342 HydrophobicContact CZ3-CB 3.73Å
343	Q	66.9	Low	63	Low	94 Å²	94	68.1 Å²	68.1	44%	0.439	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.9	170.3	-70	-166.7	-27.8	0	0	110	D328 T341 S345 A346 I348	D328-Q343 VanDerWaalsContact OD1-CA 3.29Å; D328-Q343 WeakPolarHBondContact OD1-CA 3.49Å; T341-Q343 PolarHBondContact O-N 3.29Å; Q343-S345 VanDerWaalsContact C-N 3.28Å; Q343-S345 PolarHBondContact O-N 2.98Å; Q343-A346 PolarHBondContact N-O 3.11Å; Q343-A346 WeakPolarHBondContact O-CB 3.42Å; Q343-A346 PolarHBondContact O-N 3.48Å; Q343-I348 HydrophobicContact CB-CD1 3.96Å; Q343-I348 HydrophobicContact CG-CD1 4.42Å
344	N	60.8	Low	62.8	Low	147 Å²	147	66 Å²	66	79%	0.786	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.8	179.7	-58.1	-25.7	0	0	0	113.2	D328 A346	D328-N344 PolarHBondContact OD1-N 2.77Å; N344-A346 PolarHBondContact O-N 3.35Å
345	S	60.4	Low	62.1	Low	66 Å²	66	69 Å²	69	46%	0.462	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	9.8	-173.8	-39.4	0	0	0	0	115.7	E317 Q343	E317-S345 PolarHBondContact N-OG 2.04Å; Q343-S345 VanDerWaalsContact C-N 3.28Å; Q343-S345 PolarHBondContact O-N 2.98Å
346	A	47.6	Very low	61.7	Low	53 Å²	53	73.7 Å²	73.7	44%	0.438	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.7	169.4	0	0	0	0	0	111	C319 Q343 N344 I348	C319-A346 VanDerWaalsContact SG-C 3.51Å; Q343-A346 PolarHBondContact N-O 3.11Å; Q343-A346 WeakPolarHBondContact O-CB 3.42Å; Q343-A346 PolarHBondContact O-N 3.48Å; N344-A346 PolarHBondContact O-N 3.35Å; A346-I348 PolarHBondContact O-N 2.94Å
347	T	70.6	Confident	61.4	Low	48 Å²	48	78 Å²	78	29%	0.294	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	107.7	174.7	-56.2	0	0	0	0	110.3	C319 W332 C340 C349	C319-T347 WeakPolarHBondContact CB-OG1 3.32Å; W332-T347 HydrophobicContact CH2-CG2 3.82Å; W332-T347 HydrophobicContact CZ2-CG2 3.44Å; W332-T347 VanDerWaalsContact CZ2-CG2 3.44Å; C340-T347 HydrophobicContact CB-CG2 3.81Å; T347-C349 PolarHBondContact O-N 2.75Å
348	I	69.6	Low	60.9	Low	73 Å²	73	82.5 Å²	82.5	37%	0.374	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.5	178.2	-55.7	-177.1	0	0	0	109.3	C340 T341 Q343 A346	C340-I348 WeakPolarHBondContact CA-O 3.26Å; T341-I348 PolarHBondContact N-O 3.03Å; T341-I348 PolarHBondContact O-N 3.07Å; T341-I348 PolarHBondContact OG1-O 2.93Å; Q343-I348 HydrophobicContact CB-CD1 3.96Å; Q343-I348 HydrophobicContact CG-CD1 4.42Å; A346-I348 PolarHBondContact O-N 2.94Å
349	C	68.6	Low	60.1	Low	59 Å²	59	84.6 Å²	84.6	40%	0.399	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.7	178.6	-71.9	0	0	0	0	113.2	T338 C340 T347	T338-C349 HydrophobicContact CG2-CB 3.81Å; C340-C349 HydrophobicContact CB-CB 4.11Å; C340-C349 WeakPolarHBondContact CB-SG 3.04Å; C340-C349 VanDerWaalsContact SG-CA 3.54Å; C340-C349 WeakPolarHBondContact SG-CB 3.48Å; C340-C349 CovalentContact SG-SG 2.04Å; C340-C349 PolarHBondContact SG-SG 2.71Å; T347-C349 PolarHBondContact O-N 2.75Å
350	R	65.6	Low	59.1	Low	128 Å²	128	85.3 Å²	85.3	48%	0.483	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.6	179.8	-49.9	-179.7	-158.3	159.3	14.5	109.2	E339 T341	E339-R350 PolarHBondContact N-O 3.15Å; E339-R350 VanDerWaalsContact N-O 3.14Å; E339-R350 PolarHBondContact O-N 3.14Å; T341-R350 PolarHBondContact OG1-NH2 3.41Å
351	K	49.2	Very low	57.8	Low	176 Å²	176	92.1 Å²	92.1	77%	0.765	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.5	173.3	-86	-173.1	172.7	-179.6	0	111	S353	K351-S353 PolarHBondContact O-N 2.67Å
352	I	56	Low	56.5	Low	82 Å²	82	94.4 Å²	94.4	42%	0.421	55%	0.549	S	S	.	.			trans	-71.5	121.7	173.2	-62.4	167.4	0	0	0	109.1	C337 C369	C337-I352 WeakPolarHBondContact O-CG1 3.5Å; C337-I352 PolarHBondContact O-N 2.82Å; I352-C369 HydrophobicContact CB-CB 4.34Å; I352-C369 HydrophobicContact CG2-CB 4.47Å
353	S	49.6	Very low	55.6	Low	114 Å²	114	98 Å²	98	80%	0.797	57%	0.571	S	S	*	*			trans	-92.2	111.6	178.9	44.3	0	0	0	0	111.7	K351	K351-S353 PolarHBondContact O-N 2.67Å
354	C	52.4	Low	55	Low	52 Å²	52	97.5 Å²	97.5	35%	0.351	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-83.7	137.9	-174.9	-56.5	0	0	0	0	113	C370	C354-C370 HydrophobicContact CB-CB 3.83Å; C354-C370 WeakPolarHBondContact CB-SG 3.34Å; C354-C370 WeakPolarHBondContact SG-CA 3.34Å; C354-C370 WeakPolarHBondContact SG-CB 3.34Å; C354-C370 CovalentContact SG-SG 2.04Å; C354-C370 PolarHBondContact SG-SG 2.81Å
355	P	50.2	Low	54.5	Low	101 Å²	101	93.3 Å²	93.3	66%	0.656	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-67.3	151.1	171	-20.4	33.1	0	0	0	113.4	I357	P355-I357 PolarHBondContact O-N 2.88Å
356	L	44.4	Very low	53.7	Low	183 Å²	183	98.8 Å²	98.8	96%	0.958	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-69.6	125.6	171.4	-68.3	171	0	0	0	111.1
357	I	49.2	Very low	54	Low	115 Å²	115	99.1 Å²	99.1	59%	0.59	59%	0.588	S	S	*	*			trans	-133	125.9	-178.6	-61.4	173.7	0	0	0	110	P355	P355-I357 PolarHBondContact O-N 2.88Å
358	P	47.2	Very low	53	Low	132 Å²	132	100 Å²	100	86%	0.857	59%	0.589	S	S	*	*			trans	-92.8	104.6	175.3	33.5	-30.4	0	0	0	111.8
359	C	51.3	Low	52.6	Low	59 Å²	59	97.7 Å²	97.7	40%	0.399	58%	0.579	S	S	.	*			trans	-141	149.9	169.2	61.4	0	0	0	0	111.8	N361	C359-N361 PolarHBondContact O-N 3.41Å
360	A	52.6	Low	52.1	Low	106 Å²	106	96.7 Å²	96.7	88%	0.876	57%	0.572	S	S	*	*	S	Bend	trans	-86.2	-3	-169.5	0	0	0	0	0	115.1
361	N	50.3	Low	51.5	Low	144 Å²	144	93.8 Å²	93.8	77%	0.77	57%	0.57	S	S	*	*	S	Bend	trans	-154.1	89.3	171.8	-105.8	-15.5	0	0	0	107.8	C359	C359-N361 PolarHBondContact O-N 3.41Å
362	A	50.3	Low	51.9	Low	50 Å²	50	92.1 Å²	92.1	41%	0.413	56%	0.559	S	S	.	*			trans	-90	140.7	168.5	0	0	0	0	0	109.6	P371 R372	A362-P371 HydrophobicContact CB-CB 3.92Å; A362-R372 CarbonylContact C-O 3.07Å; A362-R372 WeakPolarHBondContact CA-O 3.23Å
363	T	53.9	Low	51.6	Low	77 Å²	77	92 Å²	92	47%	0.472	56%	0.564	S	S	.	*	B	Isolated β-bridge	trans	-130.8	125.3	169.1	43.6	0	0	0	0	109.5	P365 R372 G374	T363-P365 WeakPolarHBondContact O-CD 3.11Å; T363-R372 PolarHBondContact N-O 3.42Å; T363-R372 CarbonylContact O-C 3.57Å; T363-R372 PolarHBondContact O-N 2.73Å; T363-R372 VanDerWaalsContact O-O 3.07Å; T363-G374 PolarHBondContact OG1-N 2.65Å
364	V	54.8	Low	51.4	Low	83 Å²	83	89.4 Å²	89.4	50%	0.503	56%	0.556	S	S	.	*			trans	-82.9	119.6	166.8	-179.6	0	0	0	0	106.6	E368 P371	V364-E368 WeakPolarHBondContact CG1-O 3.04Å; V364-P371 HydrophobicContact CG2-CB 4.16Å
365	P	50.8	Low	51.3	Low	59 Å²	59	93.2 Å²	93.2	38%	0.383	58%	0.578	S	S	.	*			trans	-71.9	144.8	168.9	-12.4	29.3	0	0	0	110	T363 G367 E368	T363-P365 WeakPolarHBondContact O-CD 3.11Å; P365-G367 PolarHBondContact O-N 3.29Å; P365-E368 PolarHBondContact O-N 2.8Å
366	D	44.5	Very low	50.6	Low	180 Å²	180	93.1 Å²	93.1	96%	0.963	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	113.3	174.5	-69.8	-42.5	0	0	0	110.3
367	G	52.2	Low	50	Low	61 Å²	61	88.7 Å²	88.7	63%	0.629	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.5	7.6	-179.7	0	0	0	0	0	116.9	G336 P365	G336-G367 VanDerWaalsContact CA-C 3.48Å; G336-G367 WeakPolarHBondContact CA-O 3.42Å; P365-G367 PolarHBondContact O-N 3.29Å
368	E	51.4	Low	49	Very low	66 Å²	66	90 Å²	90	31%	0.308	57%	0.569	S	S	.	*			trans	-127.8	149.4	172.1	-65	-169.6	139	0	0	113.2	G336 V364 P365 R372	G336-E368 CarbonylContact O-C 3.45Å; V364-E368 WeakPolarHBondContact CG1-O 3.04Å; P365-E368 PolarHBondContact O-N 2.8Å; E368-R372 VanDerWaalsContact CD-NH2 3.32Å; E368-R372 IonicContact OE1-CZ 2.63Å; E368-R372 IonicContact OE1-NH1 2.9Å; E368-R372 PolarHBondContact OE1-NH1 2.88Å; E368-R372 IonicContact OE1-NH2 3.37Å; E368-R372 PolarHBondContact OE1-NH2 2.96Å; E368-R372 WeakPolarHBondContact OE2-CD 3.43Å; E368-R372 IonicContact OE2-CZ 2.66Å; E368-R372 IonicContact OE2-NE 3.7Å; E368-R372 PolarHBondContact OE2-NE 3.25Å; E368-R372 IonicContact OE2-NH1 3.84Å; E368-R372 PolarHBondContact OE2-NH1 2.94Å; E368-R372 IonicContact OE2-NH2 2.82Å; E368-R372 PolarHBondContact OE2-NH2 3.18Å
369	C	60.6	Low	48.1	Very low	24 Å²	24	93 Å²	93	16%	0.162	57%	0.569	C	S	.	*	S	Bend	trans	-75.5	-50.4	-173.7	-160.8	0	0	0	0	115.1	G336 C337 I352	G336-C369 WeakPolarHBondContact O-CA 3.42Å; G336-C369 VanDerWaalsContact O-CB 3.23Å; G336-C369 WeakPolarHBondContact O-CB 3.23Å; G336-C369 PolarHBondContact O-N 2.8Å; C337-C369 WeakPolarHBondContact CA-SG 3.4Å; C337-C369 HydrophobicContact CB-CB 3.82Å; C337-C369 WeakPolarHBondContact CB-SG 3.32Å; C337-C369 WeakPolarHBondContact SG-CA 3.35Å; C337-C369 WeakPolarHBondContact SG-CB 3.12Å; C337-C369 CovalentContact SG-SG 2.04Å; C337-C369 PolarHBondContact SG-SG 2.93Å; I352-C369 HydrophobicContact CB-CB 4.34Å; I352-C369 HydrophobicContact CG2-CB 4.47Å
370	C	56.8	Low	47.6	Very low	39 Å²	39	95.3 Å²	95.3	26%	0.264	58%	0.584	S	S	.	*	S	Bend	trans	-97.6	136.1	-163.7	-58.6	0	0	0	0	110.3	C354 R372	C354-C370 HydrophobicContact CB-CB 3.83Å; C354-C370 WeakPolarHBondContact CB-SG 3.34Å; C354-C370 WeakPolarHBondContact SG-CA 3.34Å; C354-C370 WeakPolarHBondContact SG-CB 3.34Å; C354-C370 CovalentContact SG-SG 2.04Å; C354-C370 PolarHBondContact SG-SG 2.81Å; C370-R372 PolarHBondContact O-N 3.48Å
371	P	54.3	Low	47	Very low	67 Å²	67	99.4 Å²	99.4	44%	0.435	59%	0.585	S	S	.	*			trans	-56	125.2	179.7	19.8	-31.1	0	0	0	111.8	A362 V364	A362-P371 HydrophobicContact CB-CB 3.92Å; V364-P371 HydrophobicContact CG2-CB 4.16Å
372	R	56.7	Low	47.2	Very low	141 Å²	141	96.7 Å²	96.7	53%	0.532	59%	0.591	S	S	.	*	B	Isolated β-bridge	trans	-105.6	178.6	171.7	-70.2	-168.3	177.4	156.6	14.8	110.2	A362 T363 E368 C370	A362-R372 CarbonylContact C-O 3.07Å; A362-R372 WeakPolarHBondContact CA-O 3.23Å; T363-R372 PolarHBondContact N-O 3.42Å; T363-R372 CarbonylContact O-C 3.57Å; T363-R372 PolarHBondContact O-N 2.73Å; T363-R372 VanDerWaalsContact O-O 3.07Å; E368-R372 VanDerWaalsContact CD-NH2 3.32Å; E368-R372 IonicContact OE1-CZ 2.63Å; E368-R372 IonicContact OE1-NH1 2.9Å; E368-R372 PolarHBondContact OE1-NH1 2.88Å; E368-R372 IonicContact OE1-NH2 3.37Å; E368-R372 PolarHBondContact OE1-NH2 2.96Å; E368-R372 WeakPolarHBondContact OE2-CD 3.43Å; E368-R372 IonicContact OE2-CZ 2.66Å; E368-R372 IonicContact OE2-NE 3.7Å; E368-R372 PolarHBondContact OE2-NE 3.25Å; E368-R372 IonicContact OE2-NH1 3.84Å; E368-R372 PolarHBondContact OE2-NH1 2.94Å; E368-R372 IonicContact OE2-NH2 2.82Å; E368-R372 PolarHBondContact OE2-NH2 3.18Å; C370-R372 PolarHBondContact O-N 3.48Å
373	C	49.7	Very low	47.2	Very low	78 Å²	78	95.2 Å²	95.2	53%	0.527	58%	0.58	S	S	.	*			trans	-108	122.1	165.2	-62.5	0	0	0	0	107.3
374	G	45.6	Very low	47.5	Very low	61 Å²	61	94.8 Å²	94.8	63%	0.629	57%	0.57	S	S	*	*			trans	-62	154.5	-169.2	0	0	0	0	0	116.3	T363	T363-G374 PolarHBondContact OG1-N 2.65Å
375	T	51.4	Low	47.6	Very low	131 Å²	131	92.7 Å²	92.7	80%	0.804	56%	0.559	S	S	*	*			trans	-131.1	159.4	-170.5	57.3	0	0	0	0	113
376	P	35	Very low	47.7	Very low	99 Å²	99	94.1 Å²	94.1	64%	0.643	58%	0.576	S	S	*	*			trans	-146.6	169	133.8	33.8	-16.8	0	0	0	113.8	K414	P376-K414 PolarHBondContact O-NZ 2.83Å
377	S	31.4	Very low	48.8	Very low	90 Å²	90	88.8 Å²	88.8	63%	0.629	54%	0.542	S	S	*	.			cis	-162.7	172.2	-25.4	54.6	0	0	0	0	109.2
378	D	28.6	Very low	49.3	Very low	142 Å²	142	88.7 Å²	88.7	76%	0.759	53%	0.532	S	S	*	.			trans	79.4	151.7	156.8	-55.9	-57	0	0	0	123.1
379	F	28.6	Very low	49.8	Very low	195 Å²	195	92.7 Å²	92.7	86%	0.855	56%	0.555	S	S	*	*			trans	-76	173.2	-171.8	-65.2	-100.9	0	0	0	115.1
380	P	39.2	Very low	50.3	Low	109 Å²	109	94.8 Å²	94.8	71%	0.708	56%	0.56	S	S	*	*			cis	-130.5	-176.6	-23.5	33.4	-13.5	0	0	0	114.1
381	E	41	Very low	50.7	Low	192 Å²	192	96.1 Å²	96.1	90%	0.897	57%	0.567	S	S	*	*			trans	52.4	115.4	159.5	-69	-167.4	151.2	0	0	121.9
382	G	54.1	Low	51.1	Low	86 Å²	86	101.3 Å²	101.3	89%	0.887	59%	0.585	S	S	*	*				72.7	61.6	121.7	0	0	0	0	0	120.8
383	G	50.7	Low	52	Low	19 Å²	19	96.4 Å²	96.4	20%	0.196	57%	0.572	C	S	.	*			trans	-101.9	-7.5	174.5	0	0	0	0	0	117.9	C408 D409 C415	G383-C408 WeakPolarHBondContact O-CA 3.4Å; G383-D409 PolarHBondContact O-N 3.42Å; G383-D409 VanDerWaalsContact O-N 3.16Å; G383-C415 VanDerWaalsContact C-SG 3.53Å; G383-C415 PolarHBondContact O-SG 2.94Å; G383-C415 VanDerWaalsContact O-SG 3.42Å
384	W	60.8	Low	52.6	Low	69 Å²	69	96 Å²	96	26%	0.261	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-90.6	135.4	-173.9	-75.8	113.2	0	0	0	113.3	R406 C408 C415 E416 G417	W384-R406 HydrophobicContact CD2-CG 4.37Å; W384-R406 VanDerWaalsContact CD2-CZ 3.44Å; W384-R406 HydrophobicContact CE3-CG 3.59Å; W384-R406 VanDerWaalsContact CG-CZ 3.47Å; W384-R406 HydrophobicContact CZ3-CG 3.89Å; W384-C408 HydrophobicContact CE3-CB 4.27Å; W384-C408 HydrophobicContact CZ3-CB 4.19Å; W384-C415 HydrophobicContact CD2-CB 4.07Å; W384-C415 HydrophobicContact CH2-CB 4.21Å; W384-C415 HydrophobicContact CZ2-CB 3.72Å; W384-C415 VanDerWaalsContact CZ2-O 3.29Å; W384-C415 WeakPolarHBondContact CZ2-O 3.46Å; W384-E416 PolarHBondContact NE1-O 3.26Å; W384-G417 WeakPolarHBondContact CZ2-O 3.49Å
385	S	55.8	Low	53.4	Low	38 Å²	38	95.3 Å²	95.3	27%	0.266	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-75.2	169	165.1	70.8	0	0	0	0	112.2	R406 S407	S385-R406 WeakPolarHBondContact O-CB 3.47Å; S385-S407 WeakPolarHBondContact CB-OG 3.5Å; S385-S407 PolarHBondContact N-O 2.84Å; S385-S407 PolarHBondContact OG-N 2.89Å; S385-S407 PolarHBondContact OG-O 3.37Å; S385-S407 VanDerWaalsContact OG-O 3.12Å; S385-S407 PolarHBondContact OG-OG 3.47Å
386	A	54.2	Low	54	Low	90 Å²	90	94.7 Å²	94.7	74%	0.744	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-66.1	146.6	-179.4	0	0	0	0	0	112.2
387	W	66.8	Low	55.4	Low	68 Å²	68	91.7 Å²	91.7	26%	0.258	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-65.4	139.4	172.3	-70.8	108.7	0	0	0	111.6	R404 G405 R406 T418 Q421	W387-R404 HydrophobicContact CE3-CG 3.99Å; W387-R404 WeakPolarHBondContact CZ3-O 3.07Å; W387-G405 WeakPolarHBondContact CA-O 3.49Å; W387-R406 HydrophobicContact CD2-CB 4.23Å; W387-R406 HydrophobicContact CD2-CG 3.98Å; W387-R406 HydrophobicContact CE3-CB 3.96Å; W387-R406 HydrophobicContact CE3-CG 3.73Å; W387-R406 HydrophobicContact CH2-CG 3.88Å; W387-R406 HydrophobicContact CZ2-CG 4.15Å; W387-R406 HydrophobicContact CZ3-CB 4.32Å; W387-R406 HydrophobicContact CZ3-CG 3.67Å; W387-T418 WeakPolarHBondContact CH2-O 3.47Å; W387-Q421 HydrophobicContact CE3-CB 4.25Å; W387-Q421 HydrophobicContact CH2-CB 3.69Å; W387-Q421 HydrophobicContact CZ2-CB 4.08Å; W387-Q421 HydrophobicContact CZ3-CB 3.78Å; W387-Q421 VanDerWaalsContact CZ3-N 3.31Å
388	S	61.9	Low	57	Low	59 Å²	59	88.2 Å²	88.2	41%	0.413	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-64	170.1	166.3	74.9	0	0	0	0	112.1	R404 G405	S388-R404 WeakPolarHBondContact O-CB 3.28Å; S388-R404 VanDerWaalsContact O-CD 3.24Å; S388-R404 WeakPolarHBondContact O-CD 3.44Å; S388-R404 WeakPolarHBondContact OG-CA 3.44Å; S388-R404 WeakPolarHBondContact OG-CB 3.35Å; S388-G405 PolarHBondContact N-O 2.74Å; S388-G405 PolarHBondContact OG-N 3.4Å
389	D	63.5	Low	58.8	Low	149 Å²	149	89.1 Å²	89.1	80%	0.797	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-61.9	159.9	163.2	-68.3	-57.3	0	0	0	112	R404	D389-R404 WeakPolarHBondContact O-CB 3.03Å
390	W	69.9	Low	60.6	Low	68 Å²	68	80 Å²	80	26%	0.258	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-77.2	134.6	176	-69.6	101.9	0	0	0	111.4	Q402 Q403 R404 Q421 R423	W390-Q402 HydrophobicContact CB-CB 4.43Å; W390-Q402 HydrophobicContact CE3-CB 3.94Å; W390-Q402 WeakPolarHBondContact CZ3-O 3.49Å; W390-Q403 WeakPolarHBondContact CA-O 3.33Å; W390-R404 HydrophobicContact CD2-CB 4.28Å; W390-R404 HydrophobicContact CD2-CG 3.89Å; W390-R404 VanDerWaalsContact CE2-CD 3.47Å; W390-R404 HydrophobicContact CE3-CB 4.13Å; W390-R404 HydrophobicContact CE3-CG 3.8Å; W390-R404 HydrophobicContact CH2-CG 4.04Å; W390-R404 HydrophobicContact CZ2-CG 4.12Å; W390-R404 VanDerWaalsContact CZ2-NE 3.32Å; W390-R404 HydrophobicContact CZ3-CG 3.87Å; W390-Q421 HydrophobicContact CH2-CB 3.98Å; W390-Q421 HydrophobicContact CH2-CG 3.83Å; W390-Q421 HydrophobicContact CZ2-CG 4.49Å; W390-Q421 HydrophobicContact CZ3-CB 4.45Å; W390-Q421 WeakPolarHBondContact CZ3-O 3.1Å; W390-R423 HydrophobicContact CD2-CG 4.32Å; W390-R423 HydrophobicContact CE3-CG 3.96Å; W390-R423 HydrophobicContact CH2-CB 3.76Å; W390-R423 HydrophobicContact CH2-CG 3.79Å; W390-R423 HydrophobicContact CZ2-CB 4.35Å; W390-R423 HydrophobicContact CZ2-CG 4.16Å; W390-R423 HydrophobicContact CZ3-CB 3.98Å; W390-R423 HydrophobicContact CZ3-CG 3.69Å
391	T	65.1	Low	61.9	Low	67 Å²	67	77.3 Å²	77.3	41%	0.411	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-60.4	161.8	169.7	63.2	0	0	0	0	111.5	Q402 Q403	T391-Q402 WeakPolarHBondContact O-CB 3.49Å; T391-Q402 VanDerWaalsContact O-CG 3.3Å; T391-Q402 WeakPolarHBondContact O-CG 3.03Å; T391-Q402 PolarHBondContact O-NE2 3.31Å; T391-Q403 WeakPolarHBondContact CG2-O 3.37Å; T391-Q403 PolarHBondContact N-O 3.5Å; T391-Q403 PolarHBondContact OG1-N 2.84Å; T391-Q403 PolarHBondContact OG1-O 2.76Å
392	H	64	Low	63.2	Low	176 Å²	176	69.7 Å²	69.7	82%	0.815	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-59.2	162.1	163.7	-62	-69.7	0	0	0	111.6
393	C	74.9	Confident	63.8	Low	39 Å²	39	68 Å²	68	26%	0.264	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-62.5	135.5	-180	-166.1	0	0	0	0	110.7	V395 Q402 C425	C393-V395 PolarHBondContact O-N 2.76Å; C393-V395 VanDerWaalsContact O-N 3.12Å; C393-Q402 HydrophobicContact CB-CG 4.46Å; C393-C425 WeakPolarHBondContact CA-SG 3.38Å; C393-C425 HydrophobicContact CB-CB 3.93Å; C393-C425 WeakPolarHBondContact CB-SG 3.28Å; C393-C425 WeakPolarHBondContact SG-CB 3.42Å; C393-C425 CovalentContact SG-SG 2.03Å; C393-C425 PolarHBondContact SG-SG 3.04Å
394	S	63.2	Low	64.7	Low	70 Å²	70	70.1 Å²	70.1	49%	0.49	38%	0.378	S	S	.	.	S	Bend	trans	-68.7	-6	-176.7	64.4	0	0	0	0	115	I401	S394-I401 WeakPolarHBondContact CB-O 3.33Å; S394-I401 PolarHBondContact N-O 3.43Å; S394-I401 WeakPolarHBondContact OG-CG1 3.12Å; S394-I401 PolarHBondContact OG-N 2.83Å; S394-I401 PolarHBondContact OG-O 2.82Å
395	V	61.1	Low	64.8	Low	46 Å²	46	68.1 Å²	68.1	28%	0.279	38%	0.378	S	S	.	.			trans	-136.5	158	-179.3	-51.5	0	0	0	0	111	C393 C397 G400 P427	C393-V395 PolarHBondContact O-N 2.76Å; C393-V395 VanDerWaalsContact O-N 3.12Å; V395-C397 VanDerWaalsContact CB-O 3.24Å; V395-C397 WeakPolarHBondContact CB-O 3.38Å; V395-C397 WeakPolarHBondContact CG2-O 3.16Å; V395-G400 VanDerWaalsContact CG2-CA 3.44Å; V395-P427 HydrophobicContact CG2-CG 4.31Å
396	T	63.9	Low	65.2	Low	118 Å²	118	69.1 Å²	69.1	72%	0.724	38%	0.376	S	S	*	.	S	Bend	trans	-97.4	-14.3	173.8	48.7	0	0	0	0	113.6	Q428	T396-Q428 PolarHBondContact O-NE2 2.82Å
397	C	64.3	Low	65.2	Low	35 Å²	35	67.2 Å²	67.2	24%	0.236	36%	0.357	C	S	.	.	S	Bend	trans	-151.9	166.9	167.4	63	0	0	0	0	109.1	V395 Q428 C430	V395-C397 VanDerWaalsContact CB-O 3.24Å; V395-C397 WeakPolarHBondContact CB-O 3.38Å; V395-C397 WeakPolarHBondContact CG2-O 3.16Å; C397-Q428 CarbonylContact C-O 3.43Å; C397-Q428 WeakPolarHBondContact CA-O 3.37Å; C397-Q428 HydrophobicContact CB-CG 3.61Å; C397-C430 VanDerWaalsContact CA-SG 3.6Å; C397-C430 HydrophobicContact CB-CB 4.15Å; C397-C430 WeakPolarHBondContact CB-SG 3.46Å; C397-C430 PolarHBondContact O-SG 3.28Å; C397-C430 VanDerWaalsContact SG-CA 3.56Å; C397-C430 WeakPolarHBondContact SG-CB 3.43Å; C397-C430 CovalentContact SG-SG 2.04Å; C397-C430 PolarHBondContact SG-SG 3.32Å
398	G	64.9	Low	64.7	Low	17 Å²	17	66.5 Å²	66.5	18%	0.175	36%	0.362	C	S	.	.	S	Bend	trans	79.9	-170.9	-175.3	0	0	0	0	0	113	G400 P427 Q428 C430	G398-G400 PolarHBondContact O-N 2.89Å; G398-P427 WeakPolarHBondContact O-CD 3.17Å; G398-Q428 PolarHBondContact N-O 3.24Å; G398-C430 PolarHBondContact N-SG 2.82Å
399	R	67.1	Low	64.2	Low	161 Å²	161	68.7 Å²	68.7	61%	0.608	37%	0.369	S	S	*	.	S	Bend	trans	-78.9	109.5	170.8	-165.3	170.2	-167.5	149.5	-4.5	108.6	D424 Y426	R399-D424 IonicContact CZ-OD2 3.86Å; R399-D424 IonicContact NE-OD2 2.73Å; R399-D424 PolarHBondContact NE-OD2 3.1Å; R399-D424 IonicContact NH2-OD2 3.23Å; R399-D424 PolarHBondContact NH2-OD2 3.46Å; R399-Y426 HydrophobicContact CB-CD2 4.31Å; R399-Y426 HydrophobicContact CB-CE1 4.05Å; R399-Y426 HydrophobicContact CB-CE2 3.69Å; R399-Y426 HydrophobicContact CG-CD2 4.03Å; R399-Y426 HydrophobicContact CG-CE2 3.43Å; R399-Y426 VanDerWaalsContact CG-CE2 3.43Å
400	G	66.9	Low	63.6	Low	3 Å²	3	72.4 Å²	72.4	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-175.8	169.4	0	0	0	0	0	111.8	V395 G398 D424 C425	V395-G400 VanDerWaalsContact CG2-CA 3.44Å; G398-G400 PolarHBondContact O-N 2.89Å; G400-D424 CarbonylContact O-C 3.52Å; G400-D424 WeakPolarHBondContact O-CA 3.21Å; G400-C425 PolarHBondContact N-O 3.15Å; G400-C425 PolarHBondContact O-N 2.89Å
401	I	65.6	Low	62.6	Low	54 Å²	54	77 Å²	77	28%	0.277	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.8	176.3	53.2	170.3	0	0	0	111.8	S394 T422 R423 C425	S394-I401 WeakPolarHBondContact CB-O 3.33Å; S394-I401 PolarHBondContact N-O 3.43Å; S394-I401 WeakPolarHBondContact OG-CG1 3.12Å; S394-I401 PolarHBondContact OG-N 2.83Å; S394-I401 PolarHBondContact OG-O 2.82Å; I401-T422 HydrophobicContact CB-CG2 3.64Å; I401-T422 HydrophobicContact CD1-CG2 3.79Å; I401-T422 HydrophobicContact CG1-CG2 4.27Å; I401-T422 HydrophobicContact CG2-CG2 3.75Å; I401-R423 CarbonylContact C-O 3.54Å; I401-R423 VanDerWaalsContact CA-O 3.22Å; I401-R423 WeakPolarHBondContact CA-O 3.06Å; I401-C425 VanDerWaalsContact C-SG 3.54Å; I401-C425 PolarHBondContact N-SG 3.41Å; I401-C425 VanDerWaalsContact N-SG 3.41Å
402	Q	69.2	Low	61.7	Low	32 Å²	32	81.9 Å²	81.9	15%	0.15	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149	164.2	-59.2	-176.2	-77.2	0	0	108.6	W390 T391 C393 T422 R423 C425	W390-Q402 HydrophobicContact CB-CB 4.43Å; W390-Q402 HydrophobicContact CE3-CB 3.94Å; W390-Q402 WeakPolarHBondContact CZ3-O 3.49Å; T391-Q402 WeakPolarHBondContact O-CB 3.49Å; T391-Q402 VanDerWaalsContact O-CG 3.3Å; T391-Q402 WeakPolarHBondContact O-CG 3.03Å; T391-Q402 PolarHBondContact O-NE2 3.31Å; C393-Q402 HydrophobicContact CB-CG 4.46Å; Q402-T422 CarbonylContact O-C 3.39Å; Q402-T422 WeakPolarHBondContact O-CA 3.31Å; Q402-R423 HydrophobicContact CB-CG 4.13Å; Q402-R423 PolarHBondContact N-O 3.41Å; Q402-R423 PolarHBondContact O-N 3.02Å; Q402-R423 VanDerWaalsContact OE1-CZ 3.27Å; Q402-C425 HydrophobicContact CG-CB 4.22Å
403	Q	65.6	Low	60.9	Low	49 Å²	49	76.8 Å²	76.8	23%	0.229	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.4	179.2	-67.6	-170.5	-37.1	0	0	112.3	W390 T391 V420 Q421 T422	W390-Q403 WeakPolarHBondContact CA-O 3.33Å; T391-Q403 WeakPolarHBondContact CG2-O 3.37Å; T391-Q403 PolarHBondContact N-O 3.5Å; T391-Q403 PolarHBondContact OG1-N 2.84Å; T391-Q403 PolarHBondContact OG1-O 2.76Å; Q403-V420 HydrophobicContact CB-CG1 4.38Å; Q403-Q421 CarbonylContact C-O 3.52Å; Q403-Q421 VanDerWaalsContact CA-O 3.28Å; Q403-Q421 WeakPolarHBondContact CA-O 3.37Å; Q403-T422 HydrophobicContact CG-CG2 3.96Å; Q403-T422 PolarHBondContact NE2-OG1 2.97Å
404	R	69.2	Low	59.5	Low	65 Å²	65	82.4 Å²	82.4	25%	0.245	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.1	171.1	62.2	177.1	-175.1	165.8	-0	111.4	W387 S388 D389 W390 V420 Q421	W387-R404 HydrophobicContact CE3-CG 3.99Å; W387-R404 WeakPolarHBondContact CZ3-O 3.07Å; S388-R404 WeakPolarHBondContact O-CB 3.28Å; S388-R404 VanDerWaalsContact O-CD 3.24Å; S388-R404 WeakPolarHBondContact O-CD 3.44Å; S388-R404 WeakPolarHBondContact OG-CA 3.44Å; S388-R404 WeakPolarHBondContact OG-CB 3.35Å; D389-R404 WeakPolarHBondContact O-CB 3.03Å; W390-R404 HydrophobicContact CD2-CB 4.28Å; W390-R404 HydrophobicContact CD2-CG 3.89Å; W390-R404 VanDerWaalsContact CE2-CD 3.47Å; W390-R404 HydrophobicContact CE3-CB 4.13Å; W390-R404 HydrophobicContact CE3-CG 3.8Å; W390-R404 HydrophobicContact CH2-CG 4.04Å; W390-R404 HydrophobicContact CZ2-CG 4.12Å; W390-R404 VanDerWaalsContact CZ2-NE 3.32Å; W390-R404 HydrophobicContact CZ3-CG 3.87Å; R404-V420 CarbonylContact O-C 3.6Å; R404-V420 VanDerWaalsContact O-CA 3.32Å; R404-V420 WeakPolarHBondContact O-CA 3.02Å; R404-Q421 HydrophobicContact CG-CB 3.97Å; R404-Q421 VanDerWaalsContact CZ-OE1 3.3Å; R404-Q421 PolarHBondContact N-O 3.13Å; R404-Q421 PolarHBondContact O-N 3.21Å
405	G	63.3	Low	59	Low	26 Å²	26	80.4 Å²	80.4	27%	0.268	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	162	-172.8	0	0	0	0	0	115	W387 S388 S419	W387-G405 WeakPolarHBondContact CA-O 3.49Å; S388-G405 PolarHBondContact N-O 2.74Å; S388-G405 PolarHBondContact OG-N 3.4Å; G405-S419 CarbonylContact C-O 3.5Å; G405-S419 VanDerWaalsContact CA-O 3.24Å; G405-S419 WeakPolarHBondContact CA-O 3.05Å
406	R	65.7	Low	58.6	Low	60 Å²	60	85 Å²	85	23%	0.226	43%	0.432	C	S	.	.			trans	-149.2	160.2	170	62.5	176.9	179.4	174.2	2.8	111.7	W384 S385 W387 T418 S419	W384-R406 HydrophobicContact CD2-CG 4.37Å; W384-R406 VanDerWaalsContact CD2-CZ 3.44Å; W384-R406 HydrophobicContact CE3-CG 3.59Å; W384-R406 VanDerWaalsContact CG-CZ 3.47Å; W384-R406 HydrophobicContact CZ3-CG 3.89Å; S385-R406 WeakPolarHBondContact O-CB 3.47Å; W387-R406 HydrophobicContact CD2-CB 4.23Å; W387-R406 HydrophobicContact CD2-CG 3.98Å; W387-R406 HydrophobicContact CE3-CB 3.96Å; W387-R406 HydrophobicContact CE3-CG 3.73Å; W387-R406 HydrophobicContact CH2-CG 3.88Å; W387-R406 HydrophobicContact CZ2-CG 4.15Å; W387-R406 HydrophobicContact CZ3-CB 4.32Å; W387-R406 HydrophobicContact CZ3-CG 3.67Å; R406-T418 PolarHBondContact NE-O 2.77Å; R406-T418 PolarHBondContact NH2-O 3.42Å; R406-S419 PolarHBondContact N-O 2.88Å; R406-S419 WeakPolarHBondContact O-CB 3.37Å
407	S	53.7	Low	58.2	Low	49 Å²	49	82.3 Å²	82.3	34%	0.343	43%	0.427	S	S	.	.			trans	-107.7	159.4	178.8	65.6	0	0	0	0	112.7	S385 D409	S385-S407 WeakPolarHBondContact CB-OG 3.5Å; S385-S407 PolarHBondContact N-O 2.84Å; S385-S407 PolarHBondContact OG-N 2.89Å; S385-S407 PolarHBondContact OG-O 3.37Å; S385-S407 VanDerWaalsContact OG-O 3.12Å; S385-S407 PolarHBondContact OG-OG 3.47Å; S407-D409 PolarHBondContact OG-OD1 3.09Å
408	C	56	Low	57.6	Low	54 Å²	54	85 Å²	85	37%	0.365	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-110	126.6	170.4	173.8	0	0	0	0	108.3	G383 W384 C415	G383-C408 WeakPolarHBondContact O-CA 3.4Å; W384-C408 HydrophobicContact CE3-CB 4.27Å; W384-C408 HydrophobicContact CZ3-CB 4.19Å; C408-C415 HydrophobicContact CB-CB 3.54Å; C408-C415 WeakPolarHBondContact CB-SG 3.43Å; C408-C415 WeakPolarHBondContact SG-CB 3.46Å; C408-C415 CovalentContact SG-SG 2.03Å; C408-C415 PolarHBondContact SG-SG 3.41Å
409	D	52	Low	57.2	Low	104 Å²	104	87.3 Å²	87.3	56%	0.556	46%	0.456	S	S	*	.			trans	-112	123.7	-170.9	-69.6	-12.1	0	0	0	112.3	G383 S407	G383-D409 PolarHBondContact O-N 3.42Å; G383-D409 VanDerWaalsContact O-N 3.16Å; S407-D409 PolarHBondContact OG-OD1 3.09Å
410	R	49.7	Very low	56.7	Low	228 Å²	228	82.9 Å²	82.9	86%	0.86	45%	0.447	S	S	*	.	S	Bend	trans	84.4	163.7	179.5	-62.8	-178.6	159.1	178.3	-5.4	116.9
411	I	50	Low	56.5	Low	165 Å²	165	86.2 Å²	86.2	85%	0.846	46%	0.462	S	S	*	.	S	Bend	trans	-97.7	0.6	-140.2	-72.1	167.3	0	0	0	114
412	N	46.2	Very low	56.6	Low	168 Å²	168	86.8 Å²	86.8	90%	0.898	47%	0.468	S	S	*	.	S	Bend	trans	-144.7	33.3	-169.5	-130.1	24.6	0	0	0	115.6
413	S	46.3	Very low	56.5	Low	70 Å²	70	91 Å²	91	49%	0.49	48%	0.482	S	S	.	.	S	Bend	trans	-136	145.1	170.9	52.8	0	0	0	0	111.4	C415	S413-C415 PolarHBondContact O-N 3.4Å
414	K	46.2	Very low	56.7	Low	156 Å²	156	92.3 Å²	92.3	68%	0.678	49%	0.491	S	S	*	.			trans	-79.2	101.7	173.7	-75.9	-179.7	178.2	174.3	0	109.7	P376 E416	P376-K414 PolarHBondContact O-NZ 2.83Å; K414-E416 HydrophobicContact CB-CG 4.13Å; K414-E416 PolarHBondContact O-N 3.02Å; K414-E416 VanDerWaalsContact O-N 3.08Å
415	C	53.1	Low	56.8	Low	29 Å²	29	90.2 Å²	90.2	20%	0.196	49%	0.486	C	S	.	.			trans	-74.8	90.2	165.8	-71.4	0	0	0	0	110.3	G383 W384 C408 S413	G383-C415 VanDerWaalsContact C-SG 3.53Å; G383-C415 PolarHBondContact O-SG 2.94Å; G383-C415 VanDerWaalsContact O-SG 3.42Å; W384-C415 HydrophobicContact CD2-CB 4.07Å; W384-C415 HydrophobicContact CH2-CB 4.21Å; W384-C415 HydrophobicContact CZ2-CB 3.72Å; W384-C415 VanDerWaalsContact CZ2-O 3.29Å; W384-C415 WeakPolarHBondContact CZ2-O 3.46Å; C408-C415 HydrophobicContact CB-CB 3.54Å; C408-C415 WeakPolarHBondContact CB-SG 3.43Å; C408-C415 WeakPolarHBondContact SG-CB 3.46Å; C408-C415 CovalentContact SG-SG 2.03Å; C408-C415 PolarHBondContact SG-SG 3.41Å; S413-C415 PolarHBondContact O-N 3.4Å
416	E	51.6	Low	57.2	Low	142 Å²	142	95.7 Å²	95.7	66%	0.664	50%	0.5	S	S	*	.			trans	-80.8	151.7	179.4	-61.6	-162.6	160.1	0	0	113.1	W384 K414	W384-E416 PolarHBondContact NE1-O 3.26Å; K414-E416 HydrophobicContact CB-CG 4.13Å; K414-E416 PolarHBondContact O-N 3.02Å; K414-E416 VanDerWaalsContact O-N 3.08Å
417	G	55.8	Low	57	Low	61 Å²	61	95.9 Å²	95.9	63%	0.629	51%	0.509	S	S	*	.	S	Bend	trans	93.7	175.8	-166.5	0	0	0	0	0	113	W384	W384-G417 WeakPolarHBondContact CZ2-O 3.49Å
418	T	52.1	Low	57.5	Low	93 Å²	93	99.8 Å²	99.8	57%	0.571	52%	0.521	S	S	*	.			trans	-83.9	152	-179.4	58.6	0	0	0	0	112.6	W387 R406 V420	W387-T418 WeakPolarHBondContact CH2-O 3.47Å; R406-T418 PolarHBondContact NE-O 2.77Å; R406-T418 PolarHBondContact NH2-O 3.42Å; T418-V420 VanDerWaalsContact C-N 3.32Å; T418-V420 VanDerWaalsContact CB-O 3.32Å; T418-V420 WeakPolarHBondContact CB-O 3.3Å; T418-V420 PolarHBondContact OG1-O 3.2Å
419	S	56.2	Low	57.6	Low	65 Å²	65	105.6 Å²	105.6	46%	0.455	54%	0.543	S	S	.	.	S	Bend	trans	-82.4	-9	168.5	53.7	0	0	0	0	113.3	G405 R406	G405-S419 CarbonylContact C-O 3.5Å; G405-S419 VanDerWaalsContact CA-O 3.24Å; G405-S419 WeakPolarHBondContact CA-O 3.05Å; R406-S419 PolarHBondContact N-O 2.88Å; R406-S419 WeakPolarHBondContact O-CB 3.37Å
420	V	57	Low	57.8	Low	67 Å²	67	103.5 Å²	103.5	41%	0.406	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.1	176	-179.3	0	0	0	0	109.2	Q403 R404 T418	Q403-V420 HydrophobicContact CB-CG1 4.38Å; R404-V420 CarbonylContact O-C 3.6Å; R404-V420 VanDerWaalsContact O-CA 3.32Å; R404-V420 WeakPolarHBondContact O-CA 3.02Å; T418-V420 VanDerWaalsContact C-N 3.32Å; T418-V420 VanDerWaalsContact CB-O 3.32Å; T418-V420 WeakPolarHBondContact CB-O 3.3Å; T418-V420 PolarHBondContact OG1-O 3.2Å
421	Q	62.4	Low	58.1	Low	74 Å²	74	99.3 Å²	99.3	35%	0.346	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.1	170.7	-155.7	-179.6	20.8	0	0	108.9	W387 W390 Q403 R404	W387-Q421 HydrophobicContact CE3-CB 4.25Å; W387-Q421 HydrophobicContact CH2-CB 3.69Å; W387-Q421 HydrophobicContact CZ2-CB 4.08Å; W387-Q421 HydrophobicContact CZ3-CB 3.78Å; W387-Q421 VanDerWaalsContact CZ3-N 3.31Å; W390-Q421 HydrophobicContact CH2-CB 3.98Å; W390-Q421 HydrophobicContact CH2-CG 3.83Å; W390-Q421 HydrophobicContact CZ2-CG 4.49Å; W390-Q421 HydrophobicContact CZ3-CB 4.45Å; W390-Q421 WeakPolarHBondContact CZ3-O 3.1Å; Q403-Q421 CarbonylContact C-O 3.52Å; Q403-Q421 VanDerWaalsContact CA-O 3.28Å; Q403-Q421 WeakPolarHBondContact CA-O 3.37Å; R404-Q421 HydrophobicContact CG-CB 3.97Å; R404-Q421 VanDerWaalsContact CZ-OE1 3.3Å; R404-Q421 PolarHBondContact N-O 3.13Å; R404-Q421 PolarHBondContact O-N 3.21Å
422	T	66.6	Low	58.1	Low	65 Å²	65	101 Å²	101	40%	0.399	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.7	175.4	-54.5	0	0	0	0	108.7	I401 Q402 Q403	I401-T422 HydrophobicContact CB-CG2 3.64Å; I401-T422 HydrophobicContact CD1-CG2 3.79Å; I401-T422 HydrophobicContact CG1-CG2 4.27Å; I401-T422 HydrophobicContact CG2-CG2 3.75Å; Q402-T422 CarbonylContact O-C 3.39Å; Q402-T422 WeakPolarHBondContact O-CA 3.31Å; Q403-T422 HydrophobicContact CG-CG2 3.96Å; Q403-T422 PolarHBondContact NE2-OG1 2.97Å
423	R	68.8	Low	58.6	Low	120 Å²	120	103.1 Å²	103.1	45%	0.453	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.7	168.4	75.1	177	-169.9	176.1	2.8	110.6	W390 I401 Q402	W390-R423 HydrophobicContact CD2-CG 4.32Å; W390-R423 HydrophobicContact CE3-CG 3.96Å; W390-R423 HydrophobicContact CH2-CB 3.76Å; W390-R423 HydrophobicContact CH2-CG 3.79Å; W390-R423 HydrophobicContact CZ2-CB 4.35Å; W390-R423 HydrophobicContact CZ2-CG 4.16Å; W390-R423 HydrophobicContact CZ3-CB 3.98Å; W390-R423 HydrophobicContact CZ3-CG 3.69Å; I401-R423 CarbonylContact C-O 3.54Å; I401-R423 VanDerWaalsContact CA-O 3.22Å; I401-R423 WeakPolarHBondContact CA-O 3.06Å; Q402-R423 HydrophobicContact CB-CG 4.13Å; Q402-R423 PolarHBondContact N-O 3.41Å; Q402-R423 PolarHBondContact O-N 3.02Å; Q402-R423 VanDerWaalsContact OE1-CZ 3.27Å
424	D	69.8	Low	59	Low	78 Å²	78	109.3 Å²	109.3	42%	0.417	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	157.2	176.7	-67.9	-17.9	0	0	0	113.1	R399 G400	R399-D424 IonicContact CZ-OD2 3.86Å; R399-D424 IonicContact NE-OD2 2.73Å; R399-D424 PolarHBondContact NE-OD2 3.1Å; R399-D424 IonicContact NH2-OD2 3.23Å; R399-D424 PolarHBondContact NH2-OD2 3.46Å; G400-D424 CarbonylContact O-C 3.52Å; G400-D424 WeakPolarHBondContact O-CA 3.21Å
425	C	71.1	Confident	59.4	Low	21 Å²	21	108.2 Å²	108.2	14%	0.142	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.8	170.4	48.5	0	0	0	0	110.1	C393 G400 I401 Q402	C393-C425 WeakPolarHBondContact CA-SG 3.38Å; C393-C425 HydrophobicContact CB-CB 3.93Å; C393-C425 WeakPolarHBondContact CB-SG 3.28Å; C393-C425 WeakPolarHBondContact SG-CB 3.42Å; C393-C425 CovalentContact SG-SG 2.03Å; C393-C425 PolarHBondContact SG-SG 3.04Å; G400-C425 PolarHBondContact N-O 3.15Å; G400-C425 PolarHBondContact O-N 2.89Å; I401-C425 VanDerWaalsContact C-SG 3.54Å; I401-C425 PolarHBondContact N-SG 3.41Å; I401-C425 VanDerWaalsContact N-SG 3.41Å; Q402-C425 HydrophobicContact CG-CB 4.22Å
426	Y	71.2	Confident	60	Low	141 Å²	141	111 Å²	111	55%	0.553	55%	0.551	S	S	*	*			trans	-127.4	106.1	-179.5	-100.1	-85.5	0	0	0	109.6	R399	R399-Y426 HydrophobicContact CB-CD2 4.31Å; R399-Y426 HydrophobicContact CB-CE1 4.05Å; R399-Y426 HydrophobicContact CB-CE2 3.69Å; R399-Y426 HydrophobicContact CG-CD2 4.03Å; R399-Y426 HydrophobicContact CG-CE2 3.43Å; R399-Y426 VanDerWaalsContact CG-CE2 3.43Å
427	P	61.8	Low	61	Low	64 Å²	64	107.3 Å²	107.3	42%	0.416	54%	0.536	S	S	.	.			trans	-83.2	-39.2	179.1	-16.2	32.5	0	0	0	114.3	V395 G398	V395-P427 HydrophobicContact CG2-CG 4.31Å; G398-P427 WeakPolarHBondContact O-CD 3.17Å
428	Q	63.1	Low	61.7	Low	131 Å²	131	105.4 Å²	105.4	61%	0.612	52%	0.516	S	S	*	.	S	Bend	trans	178	167.1	-176.4	58	-158.7	-30.3	0	0	107.8	T396 C397 G398	T396-Q428 PolarHBondContact O-NE2 2.82Å; C397-Q428 CarbonylContact C-O 3.43Å; C397-Q428 WeakPolarHBondContact CA-O 3.37Å; C397-Q428 HydrophobicContact CB-CG 3.61Å; G398-Q428 PolarHBondContact N-O 3.24Å
429	E	57.7	Low	62.7	Low	175 Å²	175	101.9 Å²	101.9	82%	0.818	50%	0.498	S	S	*	.			trans	-78.9	159.5	176.5	-63.8	-148.9	127.8	0	0	113.9
430	C	57.8	Low	63.6	Low	60 Å²	60	102 Å²	102	41%	0.405	49%	0.489	S	S	.	.			trans	-110.9	148.3	178	-65.2	0	0	0	0	113.3	C397 G398	C397-C430 VanDerWaalsContact CA-SG 3.6Å; C397-C430 HydrophobicContact CB-CB 4.15Å; C397-C430 WeakPolarHBondContact CB-SG 3.46Å; C397-C430 PolarHBondContact O-SG 3.28Å; C397-C430 VanDerWaalsContact SG-CA 3.56Å; C397-C430 WeakPolarHBondContact SG-CB 3.43Å; C397-C430 CovalentContact SG-SG 2.04Å; C397-C430 PolarHBondContact SG-SG 3.32Å; G398-C430 PolarHBondContact N-SG 2.82Å
431	D	54.8	Low	64.1	Low	141 Å²	141	100 Å²	100	75%	0.754	48%	0.478	S	S	*	.			trans	-78.4	141.5	169.1	-170.7	5.9	0	0	0	112.5	R433	D431-R433 PolarHBondContact O-N 3.07Å
432	K	50.5	Low	64.2	Low	199 Å²	199	104.6 Å²	104.6	87%	0.865	50%	0.499	S	S	*	.	S	Bend	trans	-101	58.7	-159.2	-65.9	-179.1	178.7	174.1	0	113.9
433	R	56.5	Low	64.3	Low	214 Å²	214	106 Å²	106	81%	0.808	50%	0.497	S	S	*	.			trans	-135.9	8.2	-176.6	-75.6	-169.3	173.2	175.4	0.4	118.8	D431	D431-R433 PolarHBondContact O-N 3.07Å
434	F	55.5	Low	63.7	Low	200 Å²	200	102.3 Å²	102.3	88%	0.877	49%	0.489	S	S	*	.			trans	-121.6	160	-174.5	-72	-80.1	0	0	0	115.7
435	K	54.8	Low	63.2	Low	132 Å²	132	103.8 Å²	103.8	57%	0.574	50%	0.503	S	S	*	.			trans	-109.5	143.7	-175.5	169.8	175.7	176.8	162.6	0	110.3	M471 G472	K435-M471 HydrophobicContact CB-CB 4.42Å; K435-M471 WeakPolarHBondContact CD-O 3.35Å; K435-M471 VanDerWaalsContact CE-O 3.23Å; K435-M471 WeakPolarHBondContact CE-O 3.14Å; K435-M471 HydrophobicContact CG-CB 4.29Å; K435-G472 WeakPolarHBondContact CE-O 3.03Å; K435-G472 PolarHBondContact NZ-O 3.46Å
436	Q	65.9	Low	63.1	Low	88 Å²	88	107.3 Å²	107.3	41%	0.411	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-128.8	115.9	-166.7	-167.9	167.8	24.4	0	0	113.1	P467 P469 Q470	Q436-P467 HydrophobicContact CG-CB 4.47Å; Q436-P467 HydrophobicContact CG-CG 3.99Å; Q436-P469 WeakPolarHBondContact O-CA 3.45Å; Q436-Q470 PolarHBondContact O-N 2.92Å
437	D	72	Confident	62.5	Low	65 Å²	65	103.5 Å²	103.5	35%	0.348	51%	0.508	S	S	.	.			trans	-76.8	156	169.4	-77.6	-0.6	0	0	0	110.9	G473 R474	D437-G473 WeakPolarHBondContact OD1-CA 3.45Å; D437-R474 PolarHBondContact OD1-N 3.46Å; D437-R474 IonicContact OD2-CZ 3.57Å; D437-R474 VanDerWaalsContact OD2-CZ 3.23Å; D437-R474 IonicContact OD2-NE 3.7Å; D437-R474 PolarHBondContact OD2-NE 3.04Å; D437-R474 IonicContact OD2-NH2 2.69Å; D437-R474 PolarHBondContact OD2-NH2 3.09Å
438	G	69.5	Low	62.4	Low	21 Å²	21	105.3 Å²	105.3	22%	0.216	52%	0.522	C	S	.	.			trans	-84.9	151.9	-172.8	0	0	0	0	0	115.5	P467 R474 C476	G438-P467 CarbonylContact C-O 3.52Å; G438-P467 WeakPolarHBondContact CA-O 3.34Å; G438-R474 PolarHBondContact N-O 2.9Å; G438-C476 VanDerWaalsContact C-SG 3.57Å
439	G	73.9	Confident	62.6	Low	18 Å²	18	101.2 Å²	101.2	19%	0.186	51%	0.507	C	S	.	.			trans	-130.6	144	179.6	0	0	0	0	0	114.7	N465 S466 P467 C476	G439-N465 PolarHBondContact O-N 2.8Å; G439-N465 VanDerWaalsContact O-N 3.16Å; G439-S466 CarbonylContact C-O 3.53Å; G439-S466 WeakPolarHBondContact CA-O 3.43Å; G439-S466 CarbonylContact O-C 3.6Å; G439-S466 PolarHBondContact O-N 2.96Å; G439-P467 PolarHBondContact N-O 3.37Å; G439-C476 PolarHBondContact N-SG 2.91Å; G439-C476 VanDerWaalsContact N-SG 3.43Å
440	W	75.7	Confident	62.6	Low	69 Å²	69	96.6 Å²	96.6	26%	0.261	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-72.2	141.3	175.6	-75	111.8	0	0	0	112.1	R462 L463 C464 C476 Q477 G478	W440-R462 HydrophobicContact CD2-CG 4.48Å; W440-R462 HydrophobicContact CE3-CG 3.84Å; W440-R462 HydrophobicContact CZ3-CG 4.31Å; W440-L463 CarbonylContact C-O 3.44Å; W440-L463 VanDerWaalsContact CE3-C 3.41Å; W440-C464 HydrophobicContact CE3-CB 4.17Å; W440-C464 HydrophobicContact CH2-CB 4.32Å; W440-C464 HydrophobicContact CZ3-CB 4Å; W440-C476 HydrophobicContact CD2-CB 3.82Å; W440-C476 HydrophobicContact CE3-CB 4.5Å; W440-C476 HydrophobicContact CG-CB 4.12Å; W440-C476 HydrophobicContact CH2-CB 4.3Å; W440-C476 HydrophobicContact CZ2-CB 3.62Å; W440-C476 WeakPolarHBondContact CZ2-O 3.06Å; W440-Q477 PolarHBondContact NE1-O 3.24Å; W440-G478 WeakPolarHBondContact CZ2-O 3.49Å
441	S	67.2	Low	62.5	Low	24 Å²	24	95.9 Å²	95.9	17%	0.168	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-63.1	163.7	163	80.8	0	0	0	0	111.7	L463	S441-L463 WeakPolarHBondContact CB-O 3.38Å; S441-L463 PolarHBondContact N-O 2.95Å; S441-L463 PolarHBondContact OG-N 3.05Å; S441-L463 PolarHBondContact OG-O 3.17Å
442	H	63.7	Low	62.5	Low	171 Å²	171	95.7 Å²	95.7	79%	0.792	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-60.9	156.6	161.1	-67.1	-82.1	0	0	0	111
443	W	68.4	Low	62.7	Low	93 Å²	93	90.2 Å²	90.2	35%	0.352	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-76.7	149.6	177.2	-71.2	98.9	0	0	0	112.3	Q460 I461 R462 H482	W443-Q460 HydrophobicContact CE3-CG 3.95Å; W443-Q460 VanDerWaalsContact CE3-NE2 3.31Å; W443-Q460 VanDerWaalsContact CG-NE2 3.27Å; W443-Q460 HydrophobicContact CZ3-CG 4.37Å; W443-I461 CarbonylContact C-O 3.47Å; W443-I461 WeakPolarHBondContact CA-O 3.15Å; W443-R462 HydrophobicContact CD2-CB 4.02Å; W443-R462 HydrophobicContact CD2-CG 3.88Å; W443-R462 VanDerWaalsContact CE2-CD 3.46Å; W443-R462 HydrophobicContact CE3-CB 3.97Å; W443-R462 HydrophobicContact CE3-CG 3.83Å; W443-R462 HydrophobicContact CG-CB 4.38Å; W443-R462 HydrophobicContact CH2-CG 3.99Å; W443-R462 HydrophobicContact CZ2-CG 4.06Å; W443-R462 HydrophobicContact CZ3-CB 4.45Å; W443-R462 HydrophobicContact CZ3-CG 3.88Å; W443-H482 HydrophobicContact CH2-CB 3.85Å; W443-H482 HydrophobicContact CZ3-CB 3.91Å
444	S	56.8	Low	63	Low	43 Å²	43	81.3 Å²	81.3	30%	0.301	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-66.1	163.4	164.6	76.8	0	0	0	0	111.8	Q460 I461	S444-Q460 WeakPolarHBondContact O-CB 3.37Å; S444-Q460 PolarHBondContact O-OE1 2.92Å; S444-Q460 WeakPolarHBondContact OG-CA 3.46Å; S444-Q460 WeakPolarHBondContact OG-CB 3.29Å; S444-I461 PolarHBondContact N-O 3.36Å; S444-I461 PolarHBondContact OG-N 3.15Å
445	P	59.2	Low	63.2	Low	109 Å²	109	77.2 Å²	77.2	71%	0.708	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-59.5	166.7	160.4	-21.9	34.5	0	0	0	112.9	Q460	P445-Q460 WeakPolarHBondContact O-CB 3.42Å
446	W	68.8	Low	63.8	Low	95 Å²	95	71.3 Å²	71.3	36%	0.36	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-81.3	147.2	174.7	-70.2	95.5	0	0	0	112.7	M458 T459 Q460 H482 K484	W446-M458 HydrophobicContact CB-SD 4.36Å; W446-M458 HydrophobicContact CE3-CG 4.07Å; W446-M458 WeakPolarHBondContact CZ3-O 3.35Å; W446-T459 WeakPolarHBondContact CA-O 3.42Å; W446-Q460 HydrophobicContact CD2-CB 4.2Å; W446-Q460 HydrophobicContact CD2-CG 3.98Å; W446-Q460 HydrophobicContact CE3-CB 4.26Å; W446-Q460 HydrophobicContact CE3-CG 4.06Å; W446-Q460 HydrophobicContact CH2-CG 4.01Å; W446-Q460 HydrophobicContact CZ2-CG 3.91Å; W446-Q460 HydrophobicContact CZ3-CG 4.08Å; W446-H482 HydrophobicContact CH2-CB 4.35Å; W446-H482 AromaticContact CH2-CE1 3.79Å; W446-H482 AromaticContact CH2-CG 3.83Å; W446-H482 AromaticContact CH2-ND1 3.34Å; W446-H482 VanDerWaalsContact CH2-ND1 3.34Å; W446-H482 WeakPolarHBondContact CH2-ND1 3.41Å; W446-H482 AromaticContact CZ2-CE1 3.99Å; W446-H482 AromaticContact CZ2-ND1 3.57Å; W446-H482 WeakPolarHBondContact CZ3-O 3.34Å; W446-K484 HydrophobicContact CH2-CB 3.91Å; W446-K484 HydrophobicContact CZ3-CB 3.89Å
447	S	58.8	Low	63.8	Low	61 Å²	61	69.8 Å²	69.8	43%	0.427	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-73.2	172.5	171.5	75.7	0	0	0	0	113.8	M458 T459	S447-M458 VanDerWaalsContact O-CB 3.26Å; S447-M458 WeakPolarHBondContact O-CB 3.32Å; S447-M458 VanDerWaalsContact OG-CA 3.29Å; S447-M458 WeakPolarHBondContact OG-CA 3.16Å; S447-T459 PolarHBondContact N-O 3.26Å; S447-T459 PolarHBondContact OG-N 3.01Å
448	S	59.7	Low	63.2	Low	103 Å²	103	69 Å²	69	72%	0.72	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-66.8	165.3	164.6	-48.7	0	0	0	0	112.6
449	C	66.6	Low	62.6	Low	45 Å²	45	69.7 Å²	69.7	30%	0.304	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-73.3	138.8	176.9	-171	0	0	0	0	112.2	V451 V457 C486	C449-V451 PolarHBondContact O-N 3.23Å; C449-V457 CarbonylContact C-O 3.53Å; C449-C486 VanDerWaalsContact CA-SG 3.52Å; C449-C486 HydrophobicContact CB-CB 3.97Å; C449-C486 WeakPolarHBondContact CB-SG 3.41Å; C449-C486 WeakPolarHBondContact SG-CB 3.43Å; C449-C486 CovalentContact SG-SG 2.03Å; C449-C486 PolarHBondContact SG-SG 3.4Å
450	S	59	Low	62.3	Low	77 Å²	77	70 Å²	70	54%	0.538	40%	0.4	S	S	.	.	S	Bend	trans	-79.4	-3.9	-170.5	74	0	0	0	0	116.7	G456 V457	S450-G456 WeakPolarHBondContact OG-CA 3.31Å; S450-V457 WeakPolarHBondContact CB-O 3.48Å; S450-V457 PolarHBondContact N-O 3.1Å; S450-V457 PolarHBondContact OG-N 2.79Å
451	V	56	Low	61.8	Low	46 Å²	46	71.1 Å²	71.1	28%	0.279	41%	0.411	S	S	.	.			trans	-139.6	155.9	177.2	-52.1	0	0	0	0	111.6	C449 C453 G454 E455	C449-V451 PolarHBondContact O-N 3.23Å; V451-C453 WeakPolarHBondContact CG2-O 3.46Å; V451-G454 WeakPolarHBondContact CG2-O 3.29Å; V451-E455 VanDerWaalsContact CG2-C 3.44Å
452	T	53.9	Low	61.9	Low	137 Å²	137	72.5 Å²	72.5	84%	0.84	41%	0.412	S	S	*	.	S	Bend	trans	-105.7	-15.6	179.8	50.4	0	0	0	0	113.9
453	C	54.7	Low	61.9	Low	84 Å²	84	69.6 Å²	69.6	57%	0.568	40%	0.402	S	S	*	.	S	Bend	trans	-145.7	147.4	169.4	69.6	0	0	0	0	108.1	V451 S489	V451-C453 WeakPolarHBondContact CG2-O 3.46Å; C453-S489 CarbonylContact C-O 3.57Å; C453-S489 WeakPolarHBondContact CA-O 3.4Å; C453-S489 VanDerWaalsContact CB-O 3.23Å; C453-S489 WeakPolarHBondContact CB-O 3.43Å
454	G	61.8	Low	61.9	Low	26 Å²	26	66.8 Å²	66.8	27%	0.268	40%	0.396	S	S	.	.	S	Bend	trans	73	-158.3	-165.7	0	0	0	0	0	114.3	V451 M488 S489	V451-G454 WeakPolarHBondContact CG2-O 3.29Å; G454-M488 WeakPolarHBondContact CA-O 3.03Å; G454-M488 PolarHBondContact N-O 3.21Å; G454-M488 WeakPolarHBondContact O-CA 3.37Å; G454-M488 WeakPolarHBondContact O-CB 3.47Å; G454-M488 PolarHBondContact O-N 3.5Å; G454-S489 PolarHBondContact N-O 3.28Å
455	E	61.3	Low	62.3	Low	115 Å²	115	67.5 Å²	67.5	54%	0.537	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.6	-171.6	-167.4	160.3	-169.9	0	0	112.7	V451 V485 Q487	V451-E455 VanDerWaalsContact CG2-C 3.44Å; E455-V485 HydrophobicContact CG-CG1 3.54Å; E455-V485 VanDerWaalsContact OE1-CG1 3.23Å; E455-V485 WeakPolarHBondContact OE1-CG1 3.38Å; E455-Q487 HydrophobicContact CB-CG 4.04Å; E455-Q487 HydrophobicContact CG-CB 4.3Å; E455-Q487 HydrophobicContact CG-CG 3.9Å; E455-Q487 PolarHBondContact OE1-NE2 2.03Å; E455-Q487 PolarHBondContact OE2-NE2 3.23Å
456	G	67.1	Low	62.5	Low	7 Å²	7	64.5 Å²	64.5	7%	0.072	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-167.3	-173.6	0	0	0	0	0	112.9	S450 V485 C486	S450-G456 WeakPolarHBondContact OG-CA 3.31Å; G456-V485 CarbonylContact O-C 3.55Å; G456-V485 VanDerWaalsContact O-CA 3.29Å; G456-V485 WeakPolarHBondContact O-CA 3.46Å; G456-V485 WeakPolarHBondContact O-CG1 3.34Å; G456-C486 PolarHBondContact N-O 2.91Å; G456-C486 PolarHBondContact O-N 3.08Å; G456-C486 VanDerWaalsContact O-O 3.12Å; G456-C486 PolarHBondContact O-SG 2.83Å; G456-C486 VanDerWaalsContact O-SG 3.37Å
457	V	64.7	Low	62.2	Low	57 Å²	57	62.4 Å²	62.4	35%	0.345	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	164.2	-170.4	-67.6	0	0	0	0	114.8	C449 S450 T483 K484 V485	C449-V457 CarbonylContact C-O 3.53Å; S450-V457 WeakPolarHBondContact CB-O 3.48Å; S450-V457 PolarHBondContact N-O 3.1Å; S450-V457 PolarHBondContact OG-N 2.79Å; V457-T483 HydrophobicContact CB-CG2 3.87Å; V457-T483 HydrophobicContact CG1-CG2 4.27Å; V457-T483 HydrophobicContact CG2-CG2 4.18Å; V457-K484 CarbonylContact C-O 3.57Å; V457-K484 WeakPolarHBondContact CA-O 3.29Å; V457-K484 WeakPolarHBondContact CB-O 3.47Å; V457-V485 HydrophobicContact CG1-CB 4.49Å; V457-V485 HydrophobicContact CG1-CG2 4.22Å
458	M	61	Low	62.4	Low	48 Å²	48	63.2 Å²	63.2	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.5	172.3	55.6	176.7	-176	0	0	111.6	W446 S447 T483 K484	W446-M458 HydrophobicContact CB-SD 4.36Å; W446-M458 HydrophobicContact CE3-CG 4.07Å; W446-M458 WeakPolarHBondContact CZ3-O 3.35Å; S447-M458 VanDerWaalsContact O-CB 3.26Å; S447-M458 WeakPolarHBondContact O-CB 3.32Å; S447-M458 VanDerWaalsContact OG-CA 3.29Å; S447-M458 WeakPolarHBondContact OG-CA 3.16Å; M458-T483 CarbonylContact O-C 3.55Å; M458-T483 VanDerWaalsContact O-CA 3.3Å; M458-T483 WeakPolarHBondContact O-CA 3.12Å; M458-T483 WeakPolarHBondContact O-CG2 3.33Å; M458-K484 HydrophobicContact CE-CB 4.3Å; M458-K484 HydrophobicContact CE-CD 4.06Å; M458-K484 HydrophobicContact CE-CG 4.27Å; M458-K484 PolarHBondContact N-O 3.41Å; M458-K484 PolarHBondContact O-N 3.11Å
459	T	57	Low	62.7	Low	36 Å²	36	60.1 Å²	60.1	22%	0.221	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.5	-167.9	-53.7	0	0	0	0	113.8	W446 S447 R481 H482 T483	W446-T459 WeakPolarHBondContact CA-O 3.42Å; S447-T459 PolarHBondContact N-O 3.26Å; S447-T459 PolarHBondContact OG-N 3.01Å; T459-R481 HydrophobicContact CG2-CG 3.85Å; T459-H482 CarbonylContact C-O 3.56Å; T459-H482 VanDerWaalsContact CA-O 3.3Å; T459-H482 WeakPolarHBondContact CA-O 3.45Å; T459-H482 WeakPolarHBondContact CG2-O 3.22Å; T459-T483 PolarHBondContact OG1-OG1 2.88Å
460	Q	67.6	Low	62.4	Low	23 Å²	23	63.8 Å²	63.8	11%	0.107	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.2	166.6	63.9	167.7	52.9	0	0	112.7	W443 S444 P445 W446 R481 H482	W443-Q460 HydrophobicContact CE3-CG 3.95Å; W443-Q460 VanDerWaalsContact CE3-NE2 3.31Å; W443-Q460 VanDerWaalsContact CG-NE2 3.27Å; W443-Q460 HydrophobicContact CZ3-CG 4.37Å; S444-Q460 WeakPolarHBondContact O-CB 3.37Å; S444-Q460 PolarHBondContact O-OE1 2.92Å; S444-Q460 WeakPolarHBondContact OG-CA 3.46Å; S444-Q460 WeakPolarHBondContact OG-CB 3.29Å; P445-Q460 WeakPolarHBondContact O-CB 3.42Å; W446-Q460 HydrophobicContact CD2-CB 4.2Å; W446-Q460 HydrophobicContact CD2-CG 3.98Å; W446-Q460 HydrophobicContact CE3-CB 4.26Å; W446-Q460 HydrophobicContact CE3-CG 4.06Å; W446-Q460 HydrophobicContact CH2-CG 4.01Å; W446-Q460 HydrophobicContact CZ2-CG 3.91Å; W446-Q460 HydrophobicContact CZ3-CG 4.08Å; Q460-R481 WeakPolarHBondContact O-CA 3.31Å; Q460-H482 HydrophobicContact CG-CB 4.16Å; Q460-H482 PolarHBondContact N-O 2.85Å; Q460-H482 PolarHBondContact O-N 3.2Å
461	I	63.7	Low	62.1	Low	94 Å²	94	67.6 Å²	67.6	48%	0.482	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.7	-174.7	59.9	171.3	0	0	0	115.3	W443 S444 G480 R481	W443-I461 CarbonylContact C-O 3.47Å; W443-I461 WeakPolarHBondContact CA-O 3.15Å; S444-I461 PolarHBondContact N-O 3.36Å; S444-I461 PolarHBondContact OG-N 3.15Å; I461-G480 CarbonylContact C-O 3.53Å; I461-G480 WeakPolarHBondContact CA-O 3.43Å; I461-G480 WeakPolarHBondContact CB-O 3.06Å; I461-R481 HydrophobicContact CG2-CB 4.01Å; I461-R481 HydrophobicContact CG2-CG 3.93Å
462	R	69.1	Low	62.3	Low	53 Å²	53	68.4 Å²	68.4	20%	0.2	40%	0.398	C	S	.	.			trans	-152.7	165	172.6	64.3	172.7	174.2	175	-0.2	112.1	W440 W443 E479 G480	W440-R462 HydrophobicContact CD2-CG 4.48Å; W440-R462 HydrophobicContact CE3-CG 3.84Å; W440-R462 HydrophobicContact CZ3-CG 4.31Å; W443-R462 HydrophobicContact CD2-CB 4.02Å; W443-R462 HydrophobicContact CD2-CG 3.88Å; W443-R462 VanDerWaalsContact CE2-CD 3.46Å; W443-R462 HydrophobicContact CE3-CB 3.97Å; W443-R462 HydrophobicContact CE3-CG 3.83Å; W443-R462 HydrophobicContact CG-CB 4.38Å; W443-R462 HydrophobicContact CH2-CG 3.99Å; W443-R462 HydrophobicContact CZ2-CG 4.06Å; W443-R462 HydrophobicContact CZ3-CB 4.45Å; W443-R462 HydrophobicContact CZ3-CG 3.88Å; R462-E479 PolarHBondContact NE-O 3.2Å; R462-E479 PolarHBondContact NH2-O 3.26Å; R462-G480 PolarHBondContact N-O 2.55Å
463	L	65.2	Low	62.8	Low	110 Å²	110	62.7 Å²	62.7	58%	0.576	37%	0.367	S	S	*	.			trans	-128.7	155.2	-174.3	-61.3	173.8	0	0	0	112.7	W440 S441 N465	W440-L463 CarbonylContact C-O 3.44Å; W440-L463 VanDerWaalsContact CE3-C 3.41Å; S441-L463 WeakPolarHBondContact CB-O 3.38Å; S441-L463 PolarHBondContact N-O 2.95Å; S441-L463 PolarHBondContact OG-N 3.05Å; S441-L463 PolarHBondContact OG-O 3.17Å; L463-N465 PolarHBondContact O-N 2.89Å
464	C	67.7	Low	63.2	Low	34 Å²	34	67.5 Å²	67.5	23%	0.23	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-93.9	86.5	176.5	179.4	0	0	0	0	110.5	W440 D475 C476	W440-C464 HydrophobicContact CE3-CB 4.17Å; W440-C464 HydrophobicContact CH2-CB 4.32Å; W440-C464 HydrophobicContact CZ3-CB 4Å; C464-D475 PolarHBondContact SG-OD1 3.48Å; C464-C476 HydrophobicContact CB-CB 3.62Å; C464-C476 WeakPolarHBondContact CB-SG 3.43Å; C464-C476 WeakPolarHBondContact SG-CB 3.46Å; C464-C476 CovalentContact SG-SG 2.03Å; C464-C476 PolarHBondContact SG-SG 3.43Å
465	N	64.4	Low	63.4	Low	57 Å²	57	72 Å²	72	31%	0.305	39%	0.391	S	S	.	.			trans	-153.7	11.2	-174.5	62.3	-13.7	0	0	0	115	G439 L463	G439-N465 PolarHBondContact O-N 2.8Å; G439-N465 VanDerWaalsContact O-N 3.16Å; L463-N465 PolarHBondContact O-N 2.89Å
466	S	63.9	Low	64	Low	47 Å²	47	67.3 Å²	67.3	33%	0.329	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	76.5	-175.6	-70.7	0	0	0	0	112.1	G439	G439-S466 CarbonylContact C-O 3.53Å; G439-S466 WeakPolarHBondContact CA-O 3.43Å; G439-S466 CarbonylContact O-C 3.6Å; G439-S466 PolarHBondContact O-N 2.96Å
467	P	62.7	Low	64	Low	51 Å²	51	75.7 Å²	75.7	33%	0.331	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.6	166.3	-5.3	36.2	-36.6	0	0	0	112.3	Q436 G438 G439	Q436-P467 HydrophobicContact CG-CB 4.47Å; Q436-P467 HydrophobicContact CG-CG 3.99Å; G438-P467 CarbonylContact C-O 3.52Å; G438-P467 WeakPolarHBondContact CA-O 3.34Å; G439-P467 PolarHBondContact N-O 3.37Å
468	T	62.8	Low	64.3	Low	77 Å²	77	75.6 Å²	75.6	47%	0.472	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-74.6	135.5	167	-32.9	0	0	0	0	109.8
469	P	65.9	Low	64.3	Low	39 Å²	39	80.7 Å²	80.7	25%	0.253	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.2	139.9	-179.1	23.1	-31	0	0	0	112.6	Q436	Q436-P469 WeakPolarHBondContact O-CA 3.45Å
470	Q	60.1	Low	64.6	Low	121 Å²	121	80.1 Å²	80.1	57%	0.565	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-138.8	162.2	-179.6	-64.6	-167.7	10.5	0	0	112.1	Q436 G472 G473	Q436-Q470 PolarHBondContact O-N 2.92Å; Q470-G472 PolarHBondContact O-N 3.43Å; Q470-G473 PolarHBondContact O-N 3.45Å
471	M	53.4	Low	64.5	Low	157 Å²	157	86.3 Å²	86.3	77%	0.773	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.8	-179.2	-60.1	-68.7	-78.1	0	0	113.2	K435	K435-M471 HydrophobicContact CB-CB 4.42Å; K435-M471 WeakPolarHBondContact CD-O 3.35Å; K435-M471 VanDerWaalsContact CE-O 3.23Å; K435-M471 WeakPolarHBondContact CE-O 3.14Å; K435-M471 HydrophobicContact CG-CB 4.29Å
472	G	59.3	Low	64.4	Low	63 Å²	63	86.6 Å²	86.6	65%	0.649	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	26	-179.1	0	0	0	0	0	114.7	K435 Q470	K435-G472 WeakPolarHBondContact CE-O 3.03Å; K435-G472 PolarHBondContact NZ-O 3.46Å; Q470-G472 PolarHBondContact O-N 3.43Å
473	G	64.9	Low	64.4	Low	17 Å²	17	86.8 Å²	86.8	18%	0.175	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-65.7	164	168.3	0	0	0	0	0	112.8	D437 Q470	D437-G473 WeakPolarHBondContact OD1-CA 3.45Å; Q470-G473 PolarHBondContact O-N 3.45Å
474	R	63.1	Low	64.3	Low	186 Å²	186	87.5 Å²	87.5	70%	0.702	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-79.7	146.1	-176.9	-71.5	173.6	-69.1	-169.7	-1.1	112.9	D437 G438	D437-R474 PolarHBondContact OD1-N 3.46Å; D437-R474 IonicContact OD2-CZ 3.57Å; D437-R474 VanDerWaalsContact OD2-CZ 3.23Å; D437-R474 IonicContact OD2-NE 3.7Å; D437-R474 PolarHBondContact OD2-NE 3.04Å; D437-R474 IonicContact OD2-NH2 2.69Å; D437-R474 PolarHBondContact OD2-NH2 3.09Å; G438-R474 PolarHBondContact N-O 2.9Å
475	D	67.3	Low	63.9	Low	120 Å²	120	89.7 Å²	89.7	64%	0.642	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-77.3	159.4	175.1	-167.5	17.8	0	0	0	112.6	C464	C464-D475 PolarHBondContact SG-OD1 3.48Å
476	C	73.9	Confident	63.7	Low	17 Å²	17	88.4 Å²	88.4	12%	0.115	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-73.9	124.8	-173.3	-53.3	0	0	0	0	112.5	G438 G439 W440 C464	G438-C476 VanDerWaalsContact C-SG 3.57Å; G439-C476 PolarHBondContact N-SG 2.91Å; G439-C476 VanDerWaalsContact N-SG 3.43Å; W440-C476 HydrophobicContact CD2-CB 3.82Å; W440-C476 HydrophobicContact CE3-CB 4.5Å; W440-C476 HydrophobicContact CG-CB 4.12Å; W440-C476 HydrophobicContact CH2-CB 4.3Å; W440-C476 HydrophobicContact CZ2-CB 3.62Å; W440-C476 WeakPolarHBondContact CZ2-O 3.06Å; C464-C476 HydrophobicContact CB-CB 3.62Å; C464-C476 WeakPolarHBondContact CB-SG 3.43Å; C464-C476 WeakPolarHBondContact SG-CB 3.46Å; C464-C476 CovalentContact SG-SG 2.03Å; C464-C476 PolarHBondContact SG-SG 3.43Å
477	Q	67	Low	63.4	Low	183 Å²	183	92.6 Å²	92.6	86%	0.855	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-90	140.4	175.6	-68.4	-164.7	-20.2	0	0	113.5	W440	W440-Q477 PolarHBondContact NE1-O 3.24Å
478	G	70.2	Confident	62.9	Low	54 Å²	54	95.3 Å²	95.3	56%	0.557	50%	0.501	S	S	*	.	S	Bend	trans	117.7	169.3	179.9	0	0	0	0	0	112.6	W440	W440-G478 WeakPolarHBondContact CZ2-O 3.49Å
479	E	60.1	Low	62.3	Low	156 Å²	156	95.8 Å²	95.8	73%	0.729	51%	0.507	S	S	*	.			trans	-83.2	146.8	178.5	-65.5	-161.5	-179.9	0	0	112.9	R462	R462-E479 PolarHBondContact NE-O 3.2Å; R462-E479 PolarHBondContact NH2-O 3.26Å
480	G	63.6	Low	61.6	Low	24 Å²	24	99.1 Å²	99.1	25%	0.247	53%	0.529	C	S	.	.	S	Bend	trans	-93.7	3.7	177.5	0	0	0	0	0	114.7	I461 R462	I461-G480 CarbonylContact C-O 3.53Å; I461-G480 WeakPolarHBondContact CA-O 3.43Å; I461-G480 WeakPolarHBondContact CB-O 3.06Å; R462-G480 PolarHBondContact N-O 2.55Å
481	R	66.4	Low	60.9	Low	153 Å²	153	97.4 Å²	97.4	58%	0.577	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.7	-179	178.7	170.3	165.6	-122.5	-3.5	110.1	T459 Q460 I461	T459-R481 HydrophobicContact CG2-CG 3.85Å; Q460-R481 WeakPolarHBondContact O-CA 3.31Å; I461-R481 HydrophobicContact CG2-CB 4.01Å; I461-R481 HydrophobicContact CG2-CG 3.93Å
482	H	62.2	Low	60.9	Low	99 Å²	99	94.1 Å²	94.1	46%	0.458	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.8	-177.6	-174.2	-144.9	0	0	0	110.6	W443 W446 T459 Q460	W443-H482 HydrophobicContact CH2-CB 3.85Å; W443-H482 HydrophobicContact CZ3-CB 3.91Å; W446-H482 HydrophobicContact CH2-CB 4.35Å; W446-H482 AromaticContact CH2-CE1 3.79Å; W446-H482 AromaticContact CH2-CG 3.83Å; W446-H482 AromaticContact CH2-ND1 3.34Å; W446-H482 VanDerWaalsContact CH2-ND1 3.34Å; W446-H482 WeakPolarHBondContact CH2-ND1 3.41Å; W446-H482 AromaticContact CZ2-CE1 3.99Å; W446-H482 AromaticContact CZ2-ND1 3.57Å; W446-H482 WeakPolarHBondContact CZ3-O 3.34Å; T459-H482 CarbonylContact C-O 3.56Å; T459-H482 VanDerWaalsContact CA-O 3.3Å; T459-H482 WeakPolarHBondContact CA-O 3.45Å; T459-H482 WeakPolarHBondContact CG2-O 3.22Å; Q460-H482 HydrophobicContact CG-CB 4.16Å; Q460-H482 PolarHBondContact N-O 2.85Å; Q460-H482 PolarHBondContact O-N 3.2Å
483	T	68.8	Low	60.7	Low	58 Å²	58	94 Å²	94	36%	0.356	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.3	-170.2	-54.1	0	0	0	0	110.8	V457 M458 T459	V457-T483 HydrophobicContact CB-CG2 3.87Å; V457-T483 HydrophobicContact CG1-CG2 4.27Å; V457-T483 HydrophobicContact CG2-CG2 4.18Å; M458-T483 CarbonylContact O-C 3.55Å; M458-T483 VanDerWaalsContact O-CA 3.3Å; M458-T483 WeakPolarHBondContact O-CA 3.12Å; M458-T483 WeakPolarHBondContact O-CG2 3.33Å; T459-T483 PolarHBondContact OG1-OG1 2.88Å
484	K	63.3	Low	60.3	Low	124 Å²	124	96.9 Å²	96.9	54%	0.539	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.7	-176.8	-176.6	174.6	176.5	-175.6	0	112.6	W446 V457 M458	W446-K484 HydrophobicContact CH2-CB 3.91Å; W446-K484 HydrophobicContact CZ3-CB 3.89Å; V457-K484 CarbonylContact C-O 3.57Å; V457-K484 WeakPolarHBondContact CA-O 3.29Å; V457-K484 WeakPolarHBondContact CB-O 3.47Å; M458-K484 HydrophobicContact CE-CB 4.3Å; M458-K484 HydrophobicContact CE-CD 4.06Å; M458-K484 HydrophobicContact CE-CG 4.27Å; M458-K484 PolarHBondContact N-O 3.41Å; M458-K484 PolarHBondContact O-N 3.11Å
485	V	58.9	Low	60.3	Low	81 Å²	81	88.8 Å²	88.8	49%	0.491	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	153.5	-173.2	-160.8	0	0	0	0	113.7	E455 G456 V457	E455-V485 HydrophobicContact CG-CG1 3.54Å; E455-V485 VanDerWaalsContact OE1-CG1 3.23Å; E455-V485 WeakPolarHBondContact OE1-CG1 3.38Å; G456-V485 CarbonylContact O-C 3.55Å; G456-V485 VanDerWaalsContact O-CA 3.29Å; G456-V485 WeakPolarHBondContact O-CA 3.46Å; G456-V485 WeakPolarHBondContact O-CG1 3.34Å; V457-V485 HydrophobicContact CG1-CB 4.49Å; V457-V485 HydrophobicContact CG1-CG2 4.22Å
486	C	60.3	Low	60.2	Low	29 Å²	29	89.4 Å²	89.4	20%	0.196	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.6	-179.6	48	0	0	0	0	111	C449 G456	C449-C486 VanDerWaalsContact CA-SG 3.52Å; C449-C486 HydrophobicContact CB-CB 3.97Å; C449-C486 WeakPolarHBondContact CB-SG 3.41Å; C449-C486 WeakPolarHBondContact SG-CB 3.43Å; C449-C486 CovalentContact SG-SG 2.03Å; C449-C486 PolarHBondContact SG-SG 3.4Å; G456-C486 PolarHBondContact N-O 2.91Å; G456-C486 PolarHBondContact O-N 3.08Å; G456-C486 VanDerWaalsContact O-O 3.12Å; G456-C486 PolarHBondContact O-SG 2.83Å; G456-C486 VanDerWaalsContact O-SG 3.37Å
487	Q	57.2	Low	60.2	Low	135 Å²	135	92.3 Å²	92.3	63%	0.631	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.2	-157.5	-153.6	175.6	43.2	0	0	114.9	E455	E455-Q487 HydrophobicContact CB-CG 4.04Å; E455-Q487 HydrophobicContact CG-CB 4.3Å; E455-Q487 HydrophobicContact CG-CG 3.9Å; E455-Q487 PolarHBondContact OE1-NE2 2.03Å; E455-Q487 PolarHBondContact OE2-NE2 3.23Å
488	M	53	Low	60.2	Low	108 Å²	108	84.1 Å²	84.1	53%	0.532	46%	0.462	S	S	.	.			trans	-143.4	-176.7	-174.9	-55	-70.8	-178.5	0	0	111.5	G454	G454-M488 WeakPolarHBondContact CA-O 3.03Å; G454-M488 PolarHBondContact N-O 3.21Å; G454-M488 WeakPolarHBondContact O-CA 3.37Å; G454-M488 WeakPolarHBondContact O-CB 3.47Å; G454-M488 PolarHBondContact O-N 3.5Å
489	S	48.9	Very low	59.9	Low	87 Å²	87	86.8 Å²	86.8	61%	0.608	47%	0.47	S	S	*	.			trans	-93.2	167.9	-166.4	46.4	0	0	0	0	118	C453 G454	C453-S489 CarbonylContact C-O 3.57Å; C453-S489 WeakPolarHBondContact CA-O 3.4Å; C453-S489 VanDerWaalsContact CB-O 3.23Å; C453-S489 WeakPolarHBondContact CB-O 3.43Å; G454-S489 PolarHBondContact N-O 3.28Å
490	P	52.5	Low	60.6	Low	109 Å²	109	84.1 Å²	84.1	71%	0.708	45%	0.453	S	S	*	.			trans	-134.3	149.1	-157.9	38.9	-22.3	0	0	0	121.1
491	C	45.3	Very low	60.8	Low	85 Å²	85	85.1 Å²	85.1	57%	0.574	46%	0.456	S	S	*	.			trans	172.8	123.6	166.8	-106.2	0	0	0	0	123.5	Y528	C491-Y528 HydrophobicContact CB-CD1 3.45Å; C491-Y528 VanDerWaalsContact CB-CD1 3.45Å; C491-Y528 HydrophobicContact CB-CD2 4.43Å; C491-Y528 HydrophobicContact CB-CE1 4.22Å; C491-Y528 HydrophobicContact CB-CG 3.57Å; C491-Y528 WeakPolarHBondContact SG-CB 3.28Å
492	P	53.2	Low	60.9	Low	89 Å²	89	83.2 Å²	83.2	58%	0.578	46%	0.463	S	S	*	.			trans	-154.2	119.5	174.5	38.4	-16.8	0	0	0	123.1	P526 Y528 G529 G530	P492-P526 CarbonylContact C-O 3.58Å; P492-Y528 VanDerWaalsContact C-C 3.47Å; P492-G529 CarbonylContact O-C 3.51Å; P492-G529 VanDerWaalsContact O-CA 3.25Å; P492-G529 WeakPolarHBondContact O-CA 3.41Å; P492-G529 PolarHBondContact O-N 3.36Å; P492-G530 PolarHBondContact O-N 2.74Å
493	I	54.5	Low	61.4	Low	61 Å²	61	82.2 Å²	82.2	31%	0.313	46%	0.456	S	S	.	.			trans	-94.7	-151.5	-169	-137.3	168.6	0	0	0	120.4	P526 K527 Y528 G529 G530 K531	I493-P526 PolarHBondContact N-O 2.84Å; I493-P526 VanDerWaalsContact O-CA 3.29Å; I493-P526 WeakPolarHBondContact O-CA 3.15Å; I493-P526 WeakPolarHBondContact O-CB 3.24Å; I493-K527 WeakPolarHBondContact CG2-O 3.48Å; I493-Y528 VanDerWaalsContact CA-C 3.47Å; I493-Y528 VanDerWaalsContact CB-N 3.29Å; I493-Y528 WeakPolarHBondContact CB-O 3.49Å; I493-Y528 VanDerWaalsContact CD1-O 3.29Å; I493-Y528 WeakPolarHBondContact CD1-O 3.4Å; I493-Y528 VanDerWaalsContact CG1-C 3.47Å; I493-Y528 VanDerWaalsContact CG1-O 3.24Å; I493-Y528 WeakPolarHBondContact CG1-O 3.32Å; I493-G529 VanDerWaalsContact CA-N 3.27Å; I493-G529 VanDerWaalsContact N-N 3.17Å; I493-G530 VanDerWaalsContact C-C 3.44Å; I493-G530 CarbonylContact O-C 3.59Å; I493-G530 WeakPolarHBondContact O-CA 3.24Å; I493-G530 PolarHBondContact O-N 3.45Å; I493-K531 PolarHBondContact O-N 2.79Å
494	N	57.3	Low	61.5	Low	76 Å²	76	83.5 Å²	83.5	41%	0.406	46%	0.461	S	S	.	.			trans	-103	163.9	174.8	-40.8	-83.5	0	0	0	113.2	M525 G530 K531	N494-M525 CarbonylContact O-C 3.5Å; N494-G530 WeakPolarHBondContact OD1-CA 3.41Å; N494-K531 CarbonylContact C-O 3.46Å; N494-K531 WeakPolarHBondContact CA-O 3.08Å; N494-K531 PolarHBondContact OD1-N 2.72Å
495	G	62.8	Low	61.4	Low	16 Å²	16	84 Å²	84	17%	0.165	47%	0.474	C	S	.	.			trans	-167.8	-174.8	174	0	0	0	0	0	118.5	P524 K531	G495-P524 CarbonylContact C-O 3.5Å; G495-P524 WeakPolarHBondContact CA-O 3.03Å; G495-K531 PolarHBondContact N-O 2.82Å; G495-K531 VanDerWaalsContact N-O 3.12Å
496	E	65.7	Low	62.1	Low	133 Å²	133	82 Å²	82	62%	0.621	46%	0.463	S	S	*	.			trans	-136.6	165.1	-170.7	-64.6	-176	-162.7	0	0	114.4	C521 N522 D523 P524 C533	E496-C521 CarbonylContact O-C 3.46Å; E496-N522 PolarHBondContact O-N 2.93Å; E496-D523 WeakPolarHBondContact CB-O 3.29Å; E496-D523 PolarHBondContact O-N 3.4Å; E496-P524 PolarHBondContact N-O 3.4Å; E496-C533 WeakPolarHBondContact CA-SG 3.47Å; E496-C533 PolarHBondContact O-SG 2.03Å
497	W	72.5	Confident	62.6	Low	78 Å²	78	84.9 Å²	84.9	30%	0.295	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.9	-170.4	-75.5	119.5	0	0	0	114.7	R519 C521 C533 I534 G535 A537	W497-R519 HydrophobicContact CE3-CG 4.15Å; W497-R519 HydrophobicContact CZ3-CG 4.22Å; W497-C521 HydrophobicContact CD2-CB 4.5Å; W497-C521 HydrophobicContact CE3-CB 3.95Å; W497-C521 HydrophobicContact CH2-CB 4.36Å; W497-C521 HydrophobicContact CZ3-CB 3.88Å; W497-C533 HydrophobicContact CD2-CB 3.69Å; W497-C533 HydrophobicContact CE3-CB 4.39Å; W497-C533 HydrophobicContact CG-CB 3.95Å; W497-C533 HydrophobicContact CH2-CB 4.34Å; W497-C533 HydrophobicContact CZ2-CB 3.66Å; W497-I534 PolarHBondContact NE1-O 3.42Å; W497-G535 WeakPolarHBondContact CZ2-O 3.38Å; W497-A537 HydrophobicContact CH2-CB 4.06Å; W497-A537 HydrophobicContact CZ3-CB 4.22Å
498	G	66.6	Low	62.6	Low	11 Å²	11	80 Å²	80	11%	0.113	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-176.3	167.4	0	0	0	0	0	115.1	L520 N522	G498-L520 PolarHBondContact N-O 2.83Å; G498-N522 WeakPolarHBondContact CA-OD1 3.35Å; G498-N522 PolarHBondContact N-OD1 3.12Å
499	P	65.8	Low	63	Low	111 Å²	111	80.8 Å²	80.8	72%	0.721	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	163.6	-174.7	29.5	-35.7	0	0	0	114.7
500	W	74.1	Confident	63.7	Low	99 Å²	99	78.6 Å²	78.6	38%	0.375	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149	175.4	-70.7	95.9	0	0	0	113	K517 N518 R519 A537 M539	W500-K517 HydrophobicContact CE3-CG 4.19Å; W500-N518 CarbonylContact C-O 3.38Å; W500-N518 WeakPolarHBondContact CA-O 3.4Å; W500-R519 HydrophobicContact CD2-CB 3.78Å; W500-R519 HydrophobicContact CD2-CG 3.91Å; W500-R519 HydrophobicContact CE3-CB 3.87Å; W500-R519 HydrophobicContact CE3-CG 3.94Å; W500-R519 HydrophobicContact CG-CB 4.1Å; W500-R519 HydrophobicContact CH2-CG 3.92Å; W500-R519 HydrophobicContact CZ2-CG 3.9Å; W500-R519 VanDerWaalsContact CZ2-NE 3.27Å; W500-R519 HydrophobicContact CZ3-CB 4.34Å; W500-R519 HydrophobicContact CZ3-CG 3.94Å; W500-A537 WeakPolarHBondContact CZ3-O 3.36Å; W500-M539 HydrophobicContact CH2-CB 4.26Å; W500-M539 HydrophobicContact CZ3-CB 4.16Å
501	S	67.8	Low	64.1	Low	45 Å²	45	76 Å²	76	32%	0.315	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-72.3	166.4	170.2	72.7	0	0	0	0	113	K517 N518	S501-K517 WeakPolarHBondContact OG-CB 3.28Å; S501-N518 PolarHBondContact N-O 3.1Å; S501-N518 PolarHBondContact OG-N 2.83Å; S501-N518 PolarHBondContact OG-O 2.85Å
502	P	67.6	Low	65.3	Low	113 Å²	113	73.7 Å²	73.7	73%	0.734	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-56.1	169.7	155.1	-21.5	34.5	0	0	0	112.3	K517	P502-K517 WeakPolarHBondContact O-CB 3.41Å
503	W	72.6	Confident	66.2	Low	78 Å²	78	69.5 Å²	69.5	30%	0.295	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-80.2	141.2	169.6	-66.9	104.2	0	0	0	111.2	Q515 T516 K517 M539 Q541	W503-Q515 HydrophobicContact CE3-CG 4.22Å; W503-T516 CarbonylContact C-O 3.59Å; W503-T516 WeakPolarHBondContact CA-O 3.35Å; W503-T516 VanDerWaalsContact CE3-C 3.4Å; W503-K517 HydrophobicContact CD2-CB 4.12Å; W503-K517 HydrophobicContact CD2-CD 3.8Å; W503-K517 HydrophobicContact CD2-CG 3.94Å; W503-K517 HydrophobicContact CE3-CB 3.94Å; W503-K517 HydrophobicContact CE3-CD 4.2Å; W503-K517 HydrophobicContact CE3-CG 3.81Å; W503-K517 HydrophobicContact CG-CD 4.29Å; W503-K517 HydrophobicContact CH2-CD 4.3Å; W503-K517 HydrophobicContact CH2-CG 4.09Å; W503-K517 HydrophobicContact CZ2-CD 3.93Å; W503-K517 HydrophobicContact CZ2-CG 4.23Å; W503-K517 HydrophobicContact CZ3-CB 4.4Å; W503-K517 HydrophobicContact CZ3-CD 4.42Å; W503-K517 HydrophobicContact CZ3-CG 3.88Å; W503-M539 HydrophobicContact CH2-CB 4.29Å; W503-M539 HydrophobicContact CH2-CG 3.95Å; W503-M539 HydrophobicContact CH2-SD 4.11Å; W503-M539 HydrophobicContact CZ2-SD 4.3Å; W503-M539 WeakPolarHBondContact CZ3-O 3.48Å; W503-Q541 HydrophobicContact CD2-CG 4.43Å; W503-Q541 VanDerWaalsContact CE2-NE2 3.31Å; W503-Q541 HydrophobicContact CE3-CG 4.07Å; W503-Q541 HydrophobicContact CH2-CB 4.09Å; W503-Q541 HydrophobicContact CH2-CG 3.71Å; W503-Q541 HydrophobicContact CZ2-CG 4.07Å; W503-Q541 HydrophobicContact CZ3-CB 4.33Å; W503-Q541 HydrophobicContact CZ3-CG 3.72Å
504	D	70.9	Confident	67	Low	86 Å²	86	69.6 Å²	69.6	46%	0.46	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-70.9	168.4	173.8	-60.4	-43.9	0	0	0	112.2	Q515 T516	D504-Q515 WeakPolarHBondContact O-CB 3.44Å; D504-T516 PolarHBondContact N-O 3.18Å
505	T	62.9	Low	67.7	Low	135 Å²	135	68 Å²	68	83%	0.828	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-66.7	147.6	174.9	41.2	0	0	0	0	112.4
506	C	72.9	Confident	68.1	Low	37 Å²	37	69 Å²	69	25%	0.25	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-66.7	133.1	-179	-166	0	0	0	0	111.9	A508 C543	C506-A508 PolarHBondContact O-N 3.29Å; C506-A508 VanDerWaalsContact O-N 3.1Å; C506-C543 HydrophobicContact CB-CB 3.96Å; C506-C543 WeakPolarHBondContact CB-SG 3.02Å; C506-C543 WeakPolarHBondContact SG-CB 3.38Å; C506-C543 CovalentContact SG-SG 2.03Å; C506-C543 PolarHBondContact SG-SG 2.85Å
507	S	69.8	Low	68.6	Low	91 Å²	91	64.8 Å²	64.8	64%	0.636	39%	0.394	S	S	*	.	S	Bend	trans	-68.2	-6.9	-174.2	73.5	0	0	0	0	116.3	V514	S507-V514 WeakPolarHBondContact CB-O 3.35Å; S507-V514 PolarHBondContact N-O 3.49Å; S507-V514 PolarHBondContact OG-N 2.98Å
508	A	57.3	Low	68.5	Low	31 Å²	31	64 Å²	64	26%	0.256	40%	0.396	S	S	.	.			trans	-149.7	148.2	178.2	0	0	0	0	0	110.5	C506 N544	C506-A508 PolarHBondContact O-N 3.29Å; C506-A508 VanDerWaalsContact O-N 3.1Å; A508-N544 PolarHBondContact O-ND2 2.77Å
509	T	62.2	Low	68.5	Low	126 Å²	126	66.5 Å²	66.5	77%	0.773	40%	0.402	S	S	*	.	S	Bend	trans	-90	-30.8	-176.4	45.3	0	0	0	0	113.7
510	C	62.7	Low	68.4	Low	40 Å²	40	66.6 Å²	66.6	27%	0.27	40%	0.396	S	S	.	.	S	Bend	trans	-140.4	171.5	169.8	58	0	0	0	0	109.4	G512 Q546 C548	C510-G512 PolarHBondContact O-N 3.23Å; C510-Q546 CarbonylContact C-O 3.58Å; C510-Q546 WeakPolarHBondContact CA-O 3.08Å; C510-Q546 VanDerWaalsContact CB-O 3.29Å; C510-Q546 WeakPolarHBondContact CB-O 3.45Å; C510-C548 HydrophobicContact CB-CB 4.18Å; C510-C548 WeakPolarHBondContact CB-SG 3.33Å; C510-C548 WeakPolarHBondContact SG-CB 3.36Å; C510-C548 CovalentContact SG-SG 2.04Å; C510-C548 PolarHBondContact SG-SG 3.47Å
511	G	62.7	Low	67.9	Low	56 Å²	56	63.3 Å²	63.3	58%	0.577	39%	0.388	S	S	*	.	S	Bend	trans	75.8	-3.8	178.6	0	0	0	0	0	116.6	Q546	G511-Q546 PolarHBondContact N-O 2.65Å
512	G	70	Confident	67.6	Low	35 Å²	35	64.9 Å²	64.9	36%	0.361	39%	0.393	S	S	.	.			trans	99	121.6	-179.1	0	0	0	0	0	113.5	C510 C543 N544	C510-G512 PolarHBondContact O-N 3.23Å; G512-C543 WeakPolarHBondContact CA-O 3.38Å; G512-N544 WeakPolarHBondContact CA-O 3.31Å; G512-N544 PolarHBondContact N-O 3.29Å
513	G	72	Confident	67.4	Low	2 Å²	2	65 Å²	65	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-179.5	176.9	0	0	0	0	0	112.9	I542 C543	G513-I542 CarbonylContact O-C 3.57Å; G513-I542 WeakPolarHBondContact O-CA 3.48Å; G513-I542 WeakPolarHBondContact O-CG2 3.39Å; G513-C543 VanDerWaalsContact C-SG 3.56Å; G513-C543 PolarHBondContact N-O 2.85Å; G513-C543 PolarHBondContact O-N 2.72Å; G513-C543 PolarHBondContact O-SG 2.86Å
514	V	70.8	Confident	66.4	Low	63 Å²	63	65.1 Å²	65.1	38%	0.382	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.6	-176.4	178.9	0	0	0	0	110.2	S507 V540 Q541	S507-V514 WeakPolarHBondContact CB-O 3.35Å; S507-V514 PolarHBondContact N-O 3.49Å; S507-V514 PolarHBondContact OG-N 2.98Å; V514-V540 HydrophobicContact CG1-CG1 3.24Å; V514-Q541 WeakPolarHBondContact CA-O 3.13Å
515	Q	73.2	Confident	65.6	Low	41 Å²	41	65.7 Å²	65.7	19%	0.192	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.5	174.9	60.2	-178.4	-52.2	0	0	110.8	W503 D504 V540 Q541	W503-Q515 HydrophobicContact CE3-CG 4.22Å; D504-Q515 WeakPolarHBondContact O-CB 3.44Å; Q515-V540 WeakPolarHBondContact O-CA 3.39Å; Q515-Q541 HydrophobicContact CG-CG 3.51Å; Q515-Q541 PolarHBondContact N-O 2.92Å; Q515-Q541 PolarHBondContact O-N 3.13Å
516	T	70.4	Confident	65.2	Low	38 Å²	38	60.2 Å²	60.2	23%	0.233	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.3	-167.4	-59.6	0	0	0	0	111.1	W503 D504 T538 M539 V540	W503-T516 CarbonylContact C-O 3.59Å; W503-T516 WeakPolarHBondContact CA-O 3.35Å; W503-T516 VanDerWaalsContact CE3-C 3.4Å; D504-T516 PolarHBondContact N-O 3.18Å; T516-T538 HydrophobicContact CG2-CG2 3.59Å; T516-M539 CarbonylContact C-O 3.56Å; T516-M539 WeakPolarHBondContact CA-O 3.01Å; T516-V540 HydrophobicContact CG2-CG2 4.23Å
517	K	76.8	Confident	64	Low	44 Å²	44	64.7 Å²	64.7	19%	0.191	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157	165.8	67.5	175.3	178.5	179.8	0	111.9	W500 S501 P502 W503 T538 M539	W500-K517 HydrophobicContact CE3-CG 4.19Å; S501-K517 WeakPolarHBondContact OG-CB 3.28Å; P502-K517 WeakPolarHBondContact O-CB 3.41Å; W503-K517 HydrophobicContact CD2-CB 4.12Å; W503-K517 HydrophobicContact CD2-CD 3.8Å; W503-K517 HydrophobicContact CD2-CG 3.94Å; W503-K517 HydrophobicContact CE3-CB 3.94Å; W503-K517 HydrophobicContact CE3-CD 4.2Å; W503-K517 HydrophobicContact CE3-CG 3.81Å; W503-K517 HydrophobicContact CG-CD 4.29Å; W503-K517 HydrophobicContact CH2-CD 4.3Å; W503-K517 HydrophobicContact CH2-CG 4.09Å; W503-K517 HydrophobicContact CZ2-CD 3.93Å; W503-K517 HydrophobicContact CZ2-CG 4.23Å; W503-K517 HydrophobicContact CZ3-CB 4.4Å; W503-K517 HydrophobicContact CZ3-CD 4.42Å; W503-K517 HydrophobicContact CZ3-CG 3.88Å; K517-T538 WeakPolarHBondContact O-CA 3.48Å; K517-M539 HydrophobicContact CG-CB 4.18Å; K517-M539 PolarHBondContact N-O 2.84Å; K517-M539 PolarHBondContact O-N 2.75Å
518	N	69.2	Low	63.4	Low	63 Å²	63	68 Å²	68	34%	0.337	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.2	-169.6	-64.4	-63.2	0	0	0	113.5	W500 S501 A537 T538	W500-N518 CarbonylContact C-O 3.38Å; W500-N518 WeakPolarHBondContact CA-O 3.4Å; S501-N518 PolarHBondContact N-O 3.1Å; S501-N518 PolarHBondContact OG-N 2.83Å; S501-N518 PolarHBondContact OG-O 2.85Å; N518-A537 CarbonylContact C-O 3.53Å; N518-A537 VanDerWaalsContact CA-O 3.23Å; N518-A537 WeakPolarHBondContact CA-O 3.17Å; N518-T538 WeakPolarHBondContact OD1-CB 3.38Å; N518-T538 VanDerWaalsContact OD1-CG2 3.31Å; N518-T538 WeakPolarHBondContact OD1-CG2 3.08Å; N518-T538 PolarHBondContact OD1-OG1 3.41Å
519	R	67.4	Low	63.4	Low	62 Å²	62	69.5 Å²	69.5	23%	0.234	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.9	167.1	61	169.6	167	-174.7	-4.8	110.8	W497 W500 D536 A537	W497-R519 HydrophobicContact CE3-CG 4.15Å; W497-R519 HydrophobicContact CZ3-CG 4.22Å; W500-R519 HydrophobicContact CD2-CB 3.78Å; W500-R519 HydrophobicContact CD2-CG 3.91Å; W500-R519 HydrophobicContact CE3-CB 3.87Å; W500-R519 HydrophobicContact CE3-CG 3.94Å; W500-R519 HydrophobicContact CG-CB 4.1Å; W500-R519 HydrophobicContact CH2-CG 3.92Å; W500-R519 HydrophobicContact CZ2-CG 3.9Å; W500-R519 VanDerWaalsContact CZ2-NE 3.27Å; W500-R519 HydrophobicContact CZ3-CB 4.34Å; W500-R519 HydrophobicContact CZ3-CG 3.94Å; R519-D536 VanDerWaalsContact CZ-O 3.27Å; R519-D536 PolarHBondContact NE-O 2.76Å; R519-D536 PolarHBondContact NH2-O 3.33Å; R519-A537 PolarHBondContact N-O 3.41Å
520	L	62.4	Low	63.2	Low	114 Å²	114	65.4 Å²	65.4	60%	0.597	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	147	-174.3	-61.4	176.2	0	0	0	112.3	G498 N522	G498-L520 PolarHBondContact N-O 2.83Å; L520-N522 HydrophobicContact CB-CB 4.3Å; L520-N522 PolarHBondContact O-N 3.16Å; L520-N522 PolarHBondContact O-OD1 2.89Å
521	C	64.2	Low	62.8	Low	29 Å²	29	71.1 Å²	71.1	20%	0.196	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	85.8	172.7	178.1	0	0	0	0	108.3	E496 W497 C533	E496-C521 CarbonylContact O-C 3.46Å; W497-C521 HydrophobicContact CD2-CB 4.5Å; W497-C521 HydrophobicContact CE3-CB 3.95Å; W497-C521 HydrophobicContact CH2-CB 4.36Å; W497-C521 HydrophobicContact CZ3-CB 3.88Å; C521-C533 HydrophobicContact CB-CB 3.8Å; C521-C533 WeakPolarHBondContact CB-SG 3.43Å; C521-C533 WeakPolarHBondContact SG-CB 3.17Å; C521-C533 PolarHBondContact SG-N 2.87Å; C521-C533 CovalentContact SG-SG 2.03Å; C521-C533 PolarHBondContact SG-SG 2.98Å
522	N	61	Low	62.6	Low	79 Å²	79	74.3 Å²	74.3	42%	0.422	41%	0.406	S	S	.	.			trans	-145.8	2	-164.6	68.3	-22	0	0	0	117.1	E496 G498 L520 P524	E496-N522 PolarHBondContact O-N 2.93Å; G498-N522 WeakPolarHBondContact CA-OD1 3.35Å; G498-N522 PolarHBondContact N-OD1 3.12Å; L520-N522 HydrophobicContact CB-CB 4.3Å; L520-N522 PolarHBondContact O-N 3.16Å; L520-N522 PolarHBondContact O-OD1 2.89Å; N522-P524 VanDerWaalsContact C-C 3.45Å; N522-P524 CarbonylContact C-O 3.56Å; N522-P524 CarbonylContact O-C 3.52Å
523	D	63.8	Low	62.3	Low	116 Å²	116	73.8 Å²	73.8	62%	0.62	40%	0.396	S	S	*	.	S	Bend	trans	-129.3	71.9	-174.2	-165	18.3	0	0	0	112.5	E496	E496-D523 WeakPolarHBondContact CB-O 3.29Å; E496-D523 PolarHBondContact O-N 3.4Å
524	P	51.6	Low	61.9	Low	79 Å²	79	81.5 Å²	81.5	51%	0.513	44%	0.435	S	S	.	.	S	Bend	cis	-93.1	-179.2	4.4	37.1	-35.7	0	0	0	113.8	G495 E496 N522	G495-P524 CarbonylContact C-O 3.5Å; G495-P524 WeakPolarHBondContact CA-O 3.03Å; E496-P524 PolarHBondContact N-O 3.4Å; N522-P524 VanDerWaalsContact C-C 3.45Å; N522-P524 CarbonylContact C-O 3.56Å; N522-P524 CarbonylContact O-C 3.52Å
525	M	54.2	Low	61.7	Low	98 Å²	98	80.6 Å²	80.6	48%	0.483	44%	0.439	S	S	.	.			trans	-110.9	145.2	-175.6	-170.7	-166.3	174.5	0	0	114.7	N494 K527	N494-M525 CarbonylContact O-C 3.5Å; M525-K527 PolarHBondContact O-N 3.01Å; M525-K527 WeakPolarHBondContact SD-CE 3.35Å; M525-K527 PolarHBondContact SD-NZ 2.83Å
526	P	54.9	Low	61.2	Low	20 Å²	20	85 Å²	85	13%	0.13	46%	0.463	C	S	.	.			trans	-42.8	72.7	166.8	-39.8	44	0	0	0	122.8	P492 I493	P492-P526 CarbonylContact C-O 3.58Å; I493-P526 PolarHBondContact N-O 2.84Å; I493-P526 VanDerWaalsContact O-CA 3.29Å; I493-P526 WeakPolarHBondContact O-CA 3.15Å; I493-P526 WeakPolarHBondContact O-CB 3.24Å
527	K	47.8	Very low	60.8	Low	131 Å²	131	85 Å²	85	57%	0.57	47%	0.468	S	S	*	.			trans	-146.4	115.2	166.5	-56.9	173	-169.7	157.3	0	114.5	I493 M525	I493-K527 WeakPolarHBondContact CG2-O 3.48Å; M525-K527 PolarHBondContact O-N 3.01Å; M525-K527 WeakPolarHBondContact SD-CE 3.35Å; M525-K527 PolarHBondContact SD-NZ 2.83Å
528	Y	56.5	Low	60.1	Low	161 Å²	161	86.5 Å²	86.5	63%	0.631	48%	0.48	S	S	*	.	S	Bend	cis	-120.5	134.9	-4	-17.8	-65.4	0	0	0	117	C491 P492 I493	C491-Y528 HydrophobicContact CB-CD1 3.45Å; C491-Y528 VanDerWaalsContact CB-CD1 3.45Å; C491-Y528 HydrophobicContact CB-CD2 4.43Å; C491-Y528 HydrophobicContact CB-CE1 4.22Å; C491-Y528 HydrophobicContact CB-CG 3.57Å; C491-Y528 WeakPolarHBondContact SG-CB 3.28Å; P492-Y528 VanDerWaalsContact C-C 3.47Å; I493-Y528 VanDerWaalsContact CA-C 3.47Å; I493-Y528 VanDerWaalsContact CB-N 3.29Å; I493-Y528 WeakPolarHBondContact CB-O 3.49Å; I493-Y528 VanDerWaalsContact CD1-O 3.29Å; I493-Y528 WeakPolarHBondContact CD1-O 3.4Å; I493-Y528 VanDerWaalsContact CG1-C 3.47Å; I493-Y528 VanDerWaalsContact CG1-O 3.24Å; I493-Y528 WeakPolarHBondContact CG1-O 3.32Å
529	G	57.8	Low	60.1	Low	63 Å²	63	88.2 Å²	88.2	65%	0.649	49%	0.488	S	S	*	.	S	Bend	trans	115.9	25.6	178.9	0	0	0	0	0	124.9	P492 I493	P492-G529 CarbonylContact O-C 3.51Å; P492-G529 VanDerWaalsContact O-CA 3.25Å; P492-G529 WeakPolarHBondContact O-CA 3.41Å; P492-G529 PolarHBondContact O-N 3.36Å; I493-G529 VanDerWaalsContact CA-N 3.27Å; I493-G529 VanDerWaalsContact N-N 3.17Å
530	G	57.5	Low	60.3	Low	39 Å²	39	89.2 Å²	89.2	40%	0.402	50%	0.501	S	S	.	.			trans	-166.8	-150.8	-157.3	0	0	0	0	0	121.9	P492 I493 N494	P492-G530 PolarHBondContact O-N 2.74Å; I493-G530 VanDerWaalsContact C-C 3.44Å; I493-G530 CarbonylContact O-C 3.59Å; I493-G530 WeakPolarHBondContact O-CA 3.24Å; I493-G530 PolarHBondContact O-N 3.45Å; N494-G530 WeakPolarHBondContact OD1-CA 3.41Å
531	K	55.5	Low	60.8	Low	160 Å²	160	87.6 Å²	87.6	70%	0.696	49%	0.49	S	S	*	.			trans	-128.3	148.8	-157.9	-55.8	176.6	-179.5	-180	0	117.5	I493 N494 G495	I493-K531 PolarHBondContact O-N 2.79Å; N494-K531 CarbonylContact C-O 3.46Å; N494-K531 WeakPolarHBondContact CA-O 3.08Å; N494-K531 PolarHBondContact OD1-N 2.72Å; G495-K531 PolarHBondContact N-O 2.82Å; G495-K531 VanDerWaalsContact N-O 3.12Å
532	D	58.8	Low	61	Low	123 Å²	123	91.7 Å²	91.7	66%	0.658	51%	0.509	S	S	*	.			trans	-81.8	168.9	179.2	-74.5	-58.8	0	0	0	117
533	C	63.1	Low	61.2	Low	25 Å²	25	88.6 Å²	88.6	17%	0.169	49%	0.493	C	S	.	.			trans	-71	158.9	173.6	-49.3	0	0	0	0	114.1	E496 W497 C521	E496-C533 WeakPolarHBondContact CA-SG 3.47Å; E496-C533 PolarHBondContact O-SG 2.03Å; W497-C533 HydrophobicContact CD2-CB 3.69Å; W497-C533 HydrophobicContact CE3-CB 4.39Å; W497-C533 HydrophobicContact CG-CB 3.95Å; W497-C533 HydrophobicContact CH2-CB 4.34Å; W497-C533 HydrophobicContact CZ2-CB 3.66Å; C521-C533 HydrophobicContact CB-CB 3.8Å; C521-C533 WeakPolarHBondContact CB-SG 3.43Å; C521-C533 WeakPolarHBondContact SG-CB 3.17Å; C521-C533 PolarHBondContact SG-N 2.87Å; C521-C533 CovalentContact SG-SG 2.03Å; C521-C533 PolarHBondContact SG-SG 2.98Å
534	I	62.9	Low	61.3	Low	163 Å²	163	86.1 Å²	86.1	84%	0.836	48%	0.48	S	S	*	.			trans	-117.1	130.5	-179.4	-59.2	177.1	0	0	0	111.3	W497	W497-I534 PolarHBondContact NE1-O 3.42Å
535	G	67.8	Low	61.7	Low	44 Å²	44	90.7 Å²	90.7	45%	0.454	49%	0.492	S	S	.	.	S	Bend	trans	128.7	163.1	177.1	0	0	0	0	0	113.1	W497	W497-G535 WeakPolarHBondContact CZ2-O 3.38Å
536	D	62.2	Low	62	Low	133 Å²	133	92.4 Å²	92.4	71%	0.711	50%	0.499	S	S	*	.			trans	-72.1	138.7	-176.5	-61.6	-56.5	0	0	0	113	R519	R519-D536 VanDerWaalsContact CZ-O 3.27Å; R519-D536 PolarHBondContact NE-O 2.76Å; R519-D536 PolarHBondContact NH2-O 3.33Å
537	A	60.8	Low	61.9	Low	39 Å²	39	98.8 Å²	98.8	32%	0.322	53%	0.532	S	S	.	.			trans	-93.3	-9.6	-175.7	0	0	0	0	0	114.4	W497 W500 N518 R519	W497-A537 HydrophobicContact CH2-CB 4.06Å; W497-A537 HydrophobicContact CZ3-CB 4.22Å; W500-A537 WeakPolarHBondContact CZ3-O 3.36Å; N518-A537 CarbonylContact C-O 3.53Å; N518-A537 VanDerWaalsContact CA-O 3.23Å; N518-A537 WeakPolarHBondContact CA-O 3.17Å; R519-A537 PolarHBondContact N-O 3.41Å
538	T	62.8	Low	62.1	Low	75 Å²	75	95.6 Å²	95.6	46%	0.46	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.8	-167.6	-57.9	0	0	0	0	111.1	T516 K517 N518 V540	T516-T538 HydrophobicContact CG2-CG2 3.59Å; K517-T538 WeakPolarHBondContact O-CA 3.48Å; N518-T538 WeakPolarHBondContact OD1-CB 3.38Å; N518-T538 VanDerWaalsContact OD1-CG2 3.31Å; N518-T538 WeakPolarHBondContact OD1-CG2 3.08Å; N518-T538 PolarHBondContact OD1-OG1 3.41Å; T538-V540 HydrophobicContact CG2-CG2 4.35Å
539	M	68.6	Low	62.1	Low	100 Å²	100	94.2 Å²	94.2	49%	0.493	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.8	175.3	-167.1	-174.8	-178.9	0	0	110.6	W500 W503 T516 K517	W500-M539 HydrophobicContact CH2-CB 4.26Å; W500-M539 HydrophobicContact CZ3-CB 4.16Å; W503-M539 HydrophobicContact CH2-CB 4.29Å; W503-M539 HydrophobicContact CH2-CG 3.95Å; W503-M539 HydrophobicContact CH2-SD 4.11Å; W503-M539 HydrophobicContact CZ2-SD 4.3Å; W503-M539 WeakPolarHBondContact CZ3-O 3.48Å; T516-M539 CarbonylContact C-O 3.56Å; T516-M539 WeakPolarHBondContact CA-O 3.01Å; K517-M539 HydrophobicContact CG-CB 4.18Å; K517-M539 PolarHBondContact N-O 2.84Å; K517-M539 PolarHBondContact O-N 2.75Å
540	V	71.9	Confident	62	Low	83 Å²	83	97.9 Å²	97.9	50%	0.503	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.2	-167.8	-176.4	0	0	0	0	111.2	V514 Q515 T516 T538	V514-V540 HydrophobicContact CG1-CG1 3.24Å; Q515-V540 WeakPolarHBondContact O-CA 3.39Å; T516-V540 HydrophobicContact CG2-CG2 4.23Å; T538-V540 HydrophobicContact CG2-CG2 4.35Å
541	Q	74	Confident	62	Low	79 Å²	79	99.9 Å²	99.9	37%	0.369	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.6	174	68	179.6	-2.9	0	0	113.7	W503 V514 Q515	W503-Q541 HydrophobicContact CD2-CG 4.43Å; W503-Q541 VanDerWaalsContact CE2-NE2 3.31Å; W503-Q541 HydrophobicContact CE3-CG 4.07Å; W503-Q541 HydrophobicContact CH2-CB 4.09Å; W503-Q541 HydrophobicContact CH2-CG 3.71Å; W503-Q541 HydrophobicContact CZ2-CG 4.07Å; W503-Q541 HydrophobicContact CZ3-CB 4.33Å; W503-Q541 HydrophobicContact CZ3-CG 3.72Å; V514-Q541 WeakPolarHBondContact CA-O 3.13Å; Q515-Q541 HydrophobicContact CG-CG 3.51Å; Q515-Q541 PolarHBondContact N-O 2.92Å; Q515-Q541 PolarHBondContact O-N 3.13Å
542	I	68.4	Low	62.4	Low	116 Å²	116	92.7 Å²	92.7	60%	0.595	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	144.7	-175.1	-57.4	174.1	0	0	0	111.6	G513	G513-I542 CarbonylContact O-C 3.57Å; G513-I542 WeakPolarHBondContact O-CA 3.48Å; G513-I542 WeakPolarHBondContact O-CG2 3.39Å
543	C	65.3	Low	63.2	Low	14 Å²	14	88 Å²	88	10%	0.095	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	173.1	-177.8	39.9	0	0	0	0	112.7	C506 G512 G513 K545	C506-C543 HydrophobicContact CB-CB 3.96Å; C506-C543 WeakPolarHBondContact CB-SG 3.02Å; C506-C543 WeakPolarHBondContact SG-CB 3.38Å; C506-C543 CovalentContact SG-SG 2.03Å; C506-C543 PolarHBondContact SG-SG 2.85Å; G512-C543 WeakPolarHBondContact CA-O 3.38Å; G513-C543 VanDerWaalsContact C-SG 3.56Å; G513-C543 PolarHBondContact N-O 2.85Å; G513-C543 PolarHBondContact O-N 2.72Å; G513-C543 PolarHBondContact O-SG 2.86Å; C543-K545 PolarHBondContact O-N 3.14Å
544	N	65	Low	63.6	Low	64 Å²	64	93.3 Å²	93.3	34%	0.342	52%	0.515	S	S	.	.			trans	52.7	50.7	170.7	-62.9	-7	0	0	0	117.1	A508 G512 Q546	A508-N544 PolarHBondContact O-ND2 2.77Å; G512-N544 WeakPolarHBondContact CA-O 3.31Å; G512-N544 PolarHBondContact N-O 3.29Å; N544-Q546 VanDerWaalsContact C-N 3.33Å; N544-Q546 PolarHBondContact O-N 2.85Å; N544-Q546 VanDerWaalsContact O-N 3.08Å
545	K	61	Low	64.3	Low	174 Å²	174	89.6 Å²	89.6	76%	0.757	50%	0.503	S	S	*	.			trans	-81.6	56.1	-178.5	-58.2	-176.7	177.2	-174.4	0	114.7	C543	C543-K545 PolarHBondContact O-N 3.14Å
546	Q	59.6	Low	64.8	Low	135 Å²	135	94.2 Å²	94.2	63%	0.631	52%	0.517	S	S	*	.			trans	-138.4	138.4	176.1	55.9	-165.1	-12.1	0	0	110.3	C510 G511 N544	C510-Q546 CarbonylContact C-O 3.58Å; C510-Q546 WeakPolarHBondContact CA-O 3.08Å; C510-Q546 VanDerWaalsContact CB-O 3.29Å; C510-Q546 WeakPolarHBondContact CB-O 3.45Å; G511-Q546 PolarHBondContact N-O 2.65Å; N544-Q546 VanDerWaalsContact C-N 3.33Å; N544-Q546 PolarHBondContact O-N 2.85Å; N544-Q546 VanDerWaalsContact O-N 3.08Å
547	D	53.7	Low	65.8	Low	154 Å²	154	89.4 Å²	89.4	82%	0.824	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-76	153.5	-164.6	-57.3	-52.4	0	0	0	113.2
548	C	51.4	Low	67.1	Low	64 Å²	64	88.5 Å²	88.5	43%	0.432	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-91.3	144.5	-178.1	-48.5	0	0	0	0	110.9	C510	C510-C548 HydrophobicContact CB-CB 4.18Å; C510-C548 WeakPolarHBondContact CB-SG 3.33Å; C510-C548 WeakPolarHBondContact SG-CB 3.36Å; C510-C548 CovalentContact SG-SG 2.04Å; C510-C548 PolarHBondContact SG-SG 3.47Å
549	P	55.5	Low	68.3	Low	131 Å²	131	87.3 Å²	87.3	85%	0.851	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-70.5	152.6	176.8	30.2	-35.2	0	0	0	112.4
550	I	56.4	Low	69.1	Low	140 Å²	140	87.5 Å²	87.5	72%	0.718	48%	0.482	S	S	*	.			trans	-116	138	179.7	-55.8	174.2	0	0	0	108.7
551	D	58.5	Low	69.5	Low	81 Å²	81	87.4 Å²	87.4	43%	0.433	50%	0.497	S	S	.	.			trans	-122.6	120.4	175.4	176.4	-18.7	0	0	0	108.5	C553 L554 S566	D551-C553 PolarHBondContact O-N 2.78Å; D551-C553 PolarHBondContact OD1-N 2.68Å; D551-C553 VanDerWaalsContact OD1-N 3.1Å; D551-L554 HydrophobicContact CB-CD1 3.59Å; D551-S566 WeakPolarHBondContact OD1-CB 3.34Å; D551-S566 PolarHBondContact OD1-OG 2.9Å
552	G	63.9	Low	70.2	Confident	10 Å²	10	84.4 Å²	84.4	10%	0.103	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-68.5	-28.6	-171.5	0	0	0	0	0	114.8	L554 S555	G552-L554 VanDerWaalsContact C-N 3.28Å; G552-L554 PolarHBondContact O-N 3.49Å; G552-S555 PolarHBondContact O-N 3.14Å; G552-S555 PolarHBondContact O-OG 2.75Å
553	C	74.6	Confident	71.2	Confident	24 Å²	24	86.3 Å²	86.3	16%	0.162	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-74.2	-15.9	-173.9	-76.8	0	0	0	0	113.5	D551 S555 N556 C564 T565 S566	D551-C553 PolarHBondContact O-N 2.78Å; D551-C553 PolarHBondContact OD1-N 2.68Å; D551-C553 VanDerWaalsContact OD1-N 3.1Å; C553-S555 PolarHBondContact O-N 2.73Å; C553-S555 VanDerWaalsContact O-N 3.08Å; C553-N556 PolarHBondContact O-N 3.11Å; C553-C564 VanDerWaalsContact CA-SG 3.57Å; C553-C564 HydrophobicContact CB-CB 3.97Å; C553-C564 WeakPolarHBondContact CB-SG 3.34Å; C553-C564 VanDerWaalsContact SG-C 3.52Å; C553-C564 WeakPolarHBondContact SG-CB 3.43Å; C553-C564 CovalentContact SG-SG 2.04Å; C553-C564 PolarHBondContact SG-SG 3.2Å; C553-T565 VanDerWaalsContact SG-C 3.54Å; C553-S566 VanDerWaalsContact SG-CB 3.58Å; C553-S566 PolarHBondContact SG-N 3.08Å
554	L	71.6	Confident	72.2	Confident	137 Å²	137	87.4 Å²	87.4	72%	0.717	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-63.2	-11.9	172.9	-80.2	103.2	0	0	0	113.9	D551 G552 N556	D551-L554 HydrophobicContact CB-CD1 3.59Å; G552-L554 VanDerWaalsContact C-N 3.28Å; G552-L554 PolarHBondContact O-N 3.49Å; L554-N556 VanDerWaalsContact C-N 3.3Å
555	S	77.4	Confident	73.2	Confident	84 Å²	84	86.9 Å²	86.9	59%	0.587	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-81.5	-4.6	173.3	63.3	0	0	0	0	114.3	G552 C553 P557	G552-S555 PolarHBondContact O-N 3.14Å; G552-S555 PolarHBondContact O-OG 2.75Å; C553-S555 PolarHBondContact O-N 2.73Å; C553-S555 VanDerWaalsContact O-N 3.08Å; S555-P557 WeakPolarHBondContact OG-CD 3.19Å
556	N	78.4	Confident	74.1	Confident	142 Å²	142	80.7 Å²	80.7	76%	0.759	47%	0.474	S	S	*	.			trans	45.8	57	-169.8	-65.5	-29.8	0	0	0	113.5	C553 L554 C558	C553-N556 PolarHBondContact O-N 3.11Å; L554-N556 VanDerWaalsContact C-N 3.3Å; N556-C558 VanDerWaalsContact C-N 3.34Å; N556-C558 PolarHBondContact O-N 2.77Å
557	P	83.3	Confident	75.1	Confident	31 Å²	31	78.6 Å²	78.6	20%	0.201	46%	0.462	C	S	.	.			trans	-85.4	-3.2	-170.4	37.2	-37.5	0	0	0	114.5	S555 F572	S555-P557 WeakPolarHBondContact OG-CD 3.19Å; P557-F572 HydrophobicContact CB-CD1 4.25Å; P557-F572 HydrophobicContact CB-CD2 4.05Å; P557-F572 HydrophobicContact CB-CE1 3.81Å; P557-F572 HydrophobicContact CB-CE2 3.58Å; P557-F572 HydrophobicContact CB-CG 4.38Å; P557-F572 HydrophobicContact CB-CZ 3.46Å; P557-F572 VanDerWaalsContact CB-CZ 3.46Å; P557-F572 HydrophobicContact CG-CB 4.41Å; P557-F572 HydrophobicContact CG-CD1 3.8Å; P557-F572 HydrophobicContact CG-CD2 3.48Å; P557-F572 VanDerWaalsContact CG-CD2 3.48Å; P557-F572 HydrophobicContact CG-CE1 3.89Å; P557-F572 HydrophobicContact CG-CE2 3.58Å; P557-F572 HydrophobicContact CG-CG 3.61Å; P557-F572 HydrophobicContact CG-CZ 3.8Å
558	C	88	Confident	75.9	Confident	20 Å²	20	83.8 Å²	83.8	14%	0.135	47%	0.471	C	S	.	.	S	Bend	trans	-101.3	156.3	176.8	-53.3	0	0	0	0	110.7	N556 T562 C564 C574 G585	N556-C558 VanDerWaalsContact C-N 3.34Å; N556-C558 PolarHBondContact O-N 2.77Å; C558-T562 HydrophobicContact CB-CG2 4.38Å; C558-C564 HydrophobicContact CB-CB 4.41Å; C558-C564 VanDerWaalsContact SG-CB 3.56Å; C558-C564 VanDerWaalsContact SG-SG 3.69Å; C558-C574 WeakPolarHBondContact CA-SG 3.46Å; C558-C574 HydrophobicContact CB-CB 3.77Å; C558-C574 WeakPolarHBondContact CB-SG 3.09Å; C558-C574 WeakPolarHBondContact SG-CA 3.36Å; C558-C574 WeakPolarHBondContact SG-CB 3.02Å; C558-C574 CovalentContact SG-SG 2.03Å; C558-C574 PolarHBondContact SG-SG 3.03Å; C558-G585 WeakPolarHBondContact CA-O 3.43Å; C558-G585 WeakPolarHBondContact CB-O 2.98Å
559	F	87.9	Confident	76.9	Confident	51 Å²	51	87 Å²	87	22%	0.224	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-58.7	144.6	178.7	-177.5	-91.1	0	0	0	112	G561 T562 P578 Y581 G585 C588	F559-G561 PolarHBondContact O-N 2.77Å; F559-T562 WeakPolarHBondContact O-CA 3.24Å; F559-T562 WeakPolarHBondContact O-CB 3.25Å; F559-T562 PolarHBondContact O-N 2.79Å; F559-T562 PolarHBondContact O-OG1 3.27Å; F559-P578 HydrophobicContact CD1-CG 4.21Å; F559-P578 HydrophobicContact CE1-CG 4.31Å; F559-Y581 HydrophobicContact CE1-CD1 4.08Å; F559-Y581 HydrophobicContact CE1-CD2 4.38Å; F559-Y581 HydrophobicContact CE1-CE1 4.13Å; F559-Y581 HydrophobicContact CE1-CE2 4.38Å; F559-Y581 HydrophobicContact CE1-CG 4.25Å; F559-Y581 AromaticContact CZ-CD1 3.86Å; F559-Y581 HydrophobicContact CZ-CD1 3.86Å; F559-Y581 AromaticContact CZ-CE1 3.66Å; F559-Y581 HydrophobicContact CZ-CE1 3.66Å; F559-Y581 HydrophobicContact CZ-CG 4.48Å; F559-G585 PolarHBondContact N-O 3.21Å; F559-C588 HydrophobicContact CB-CB 4.06Å; F559-C588 HydrophobicContact CD1-CB 3.62Å; F559-C588 HydrophobicContact CD2-CB 3.74Å; F559-C588 HydrophobicContact CE1-CB 3.89Å; F559-C588 HydrophobicContact CE2-CB 4Å; F559-C588 WeakPolarHBondContact CE2-O 3.05Å; F559-C588 HydrophobicContact CG-CB 3.53Å; F559-C588 HydrophobicContact CZ-CB 4.07Å
560	P	84.4	Confident	77.5	Confident	104 Å²	104	81.9 Å²	81.9	68%	0.675	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	130.4	-177	-29.3	36.8	0	0	0	114.1	T562 P578	P560-T562 VanDerWaalsContact C-N 3.27Å; P560-T562 PolarHBondContact O-N 3.35Å; P560-P578 WeakPolarHBondContact O-CG 3.47Å
561	G	81.6	Confident	78.5	Confident	80 Å²	80	77.5 Å²	77.5	83%	0.825	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-11.8	-174.9	0	0	0	0	0	115	F559	F559-G561 PolarHBondContact O-N 2.77Å
562	T	88.9	Confident	79.6	Confident	17 Å²	17	77.6 Å²	77.6	10%	0.104	43%	0.433	C	S	.	.			trans	-78	139.4	176.2	-46.4	0	0	0	0	111	C558 F559 P560 C564 C574 G575	C558-T562 HydrophobicContact CB-CG2 4.38Å; F559-T562 WeakPolarHBondContact O-CA 3.24Å; F559-T562 WeakPolarHBondContact O-CB 3.25Å; F559-T562 PolarHBondContact O-N 2.79Å; F559-T562 PolarHBondContact O-OG1 3.27Å; P560-T562 VanDerWaalsContact C-N 3.27Å; P560-T562 PolarHBondContact O-N 3.35Å; T562-C564 PolarHBondContact O-N 3.25Å; T562-C574 HydrophobicContact CG2-CB 4.36Å; T562-G575 WeakPolarHBondContact CG2-O 3.48Å
563	K	89.3	Confident	80.6	Confident	156 Å²	156	82.8 Å²	82.8	68%	0.678	46%	0.455	S	S	*	.			trans	-75	109.3	179.4	-175.6	179.3	178.1	-178.6	0	111.4	G575	K563-G575 PolarHBondContact O-N 3.11Å
564	C	86.6	Confident	81.2	Confident	36 Å²	36	82.5 Å²	82.5	24%	0.243	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.3	167.4	-168.5	0	0	0	0	110.9	C553 C558 T562	C553-C564 VanDerWaalsContact CA-SG 3.57Å; C553-C564 HydrophobicContact CB-CB 3.97Å; C553-C564 WeakPolarHBondContact CB-SG 3.34Å; C553-C564 VanDerWaalsContact SG-C 3.52Å; C553-C564 WeakPolarHBondContact SG-CB 3.43Å; C553-C564 CovalentContact SG-SG 2.04Å; C553-C564 PolarHBondContact SG-SG 3.2Å; C558-C564 HydrophobicContact CB-CB 4.41Å; C558-C564 VanDerWaalsContact SG-CB 3.56Å; C558-C564 VanDerWaalsContact SG-SG 3.69Å; T562-C564 PolarHBondContact O-N 3.25Å
565	T	85.3	Confident	81.9	Confident	53 Å²	53	77.4 Å²	77.4	33%	0.325	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.7	169.3	41.1	0	0	0	0	110.4	C553 F572 E573	C553-T565 VanDerWaalsContact SG-C 3.54Å; T565-F572 CarbonylContact O-C 3.59Å; T565-F572 WeakPolarHBondContact O-CA 3.33Å; T565-E573 PolarHBondContact N-O 3.09Å; T565-E573 PolarHBondContact O-N 2.9Å; T565-E573 PolarHBondContact OG1-O 2.84Å
566	S	80.2	Confident	82.4	Confident	45 Å²	45	82.9 Å²	82.9	32%	0.315	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	150.9	-179.5	47.6	0	0	0	0	112.9	D551 C553 S571	D551-S566 WeakPolarHBondContact OD1-CB 3.34Å; D551-S566 PolarHBondContact OD1-OG 2.9Å; C553-S566 VanDerWaalsContact SG-CB 3.58Å; C553-S566 PolarHBondContact SG-N 3.08Å; S566-S571 WeakPolarHBondContact CA-O 3.14Å
567	F	79.8	Confident	82.8	Confident	91 Å²	91	77.1 Å²	77.1	40%	0.399	42%	0.417	S	S	.	.			trans	-115.5	162.8	-179.7	-55.7	-76.5	0	0	0	111.7	D569 G570 S571 E573	F567-D569 WeakPolarHBondContact CB-OD1 3.36Å; F567-D569 PolarHBondContact O-N 3.15Å; F567-D569 VanDerWaalsContact O-N 3.12Å; F567-G570 PolarHBondContact O-N 2.94Å; F567-S571 WeakPolarHBondContact CD2-OG 3.35Å; F567-S571 PolarHBondContact N-O 3.21Å; F567-E573 HydrophobicContact CE2-CB 3.7Å; F567-E573 HydrophobicContact CZ-CB 4.07Å
568	R	69.9	Low	83.1	Confident	263 Å²	263	77.3 Å²	77.3	99%	0.992	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.3	-170.7	-65.4	-175.4	177.8	-174.5	-0.5	115.2
569	D	74.4	Confident	83	Confident	130 Å²	130	82.1 Å²	82.1	70%	0.695	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.6	172.4	60.1	-1.2	0	0	0	112.8	F567 S571	F567-D569 WeakPolarHBondContact CB-OD1 3.36Å; F567-D569 PolarHBondContact O-N 3.15Å; F567-D569 VanDerWaalsContact O-N 3.12Å; D569-S571 VanDerWaalsContact OD1-CB 3.31Å; D569-S571 WeakPolarHBondContact OD1-CB 3.43Å; D569-S571 PolarHBondContact OD1-N 2.85Å; D569-S571 PolarHBondContact OD1-OG 3.36Å; D569-S571 PolarHBondContact OD2-OG 3.38Å
570	G	67.6	Low	82.8	Confident	25 Å²	25	79.8 Å²	79.8	26%	0.258	43%	0.432	S	S	.	.	S	Bend	trans	89.8	-0.4	-176.1	0	0	0	0	0	114.3	F567	F567-G570 PolarHBondContact O-N 2.94Å
571	S	77.5	Confident	83	Confident	48 Å²	48	77.3 Å²	77.3	34%	0.336	41%	0.41	S	S	.	.			trans	-75.4	167.3	171.8	69.2	0	0	0	0	112.1	S566 F567 D569	S566-S571 WeakPolarHBondContact CA-O 3.14Å; F567-S571 WeakPolarHBondContact CD2-OG 3.35Å; F567-S571 PolarHBondContact N-O 3.21Å; D569-S571 VanDerWaalsContact OD1-CB 3.31Å; D569-S571 WeakPolarHBondContact OD1-CB 3.43Å; D569-S571 PolarHBondContact OD1-N 2.85Å; D569-S571 PolarHBondContact OD1-OG 3.36Å; D569-S571 PolarHBondContact OD2-OG 3.38Å
572	F	81.5	Confident	83.3	Confident	83 Å²	83	77.3 Å²	77.3	36%	0.364	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.7	177.7	65.8	-90.2	0	0	0	110.8	P557 T565 I586	P557-F572 HydrophobicContact CB-CD1 4.25Å; P557-F572 HydrophobicContact CB-CD2 4.05Å; P557-F572 HydrophobicContact CB-CE1 3.81Å; P557-F572 HydrophobicContact CB-CE2 3.58Å; P557-F572 HydrophobicContact CB-CG 4.38Å; P557-F572 HydrophobicContact CB-CZ 3.46Å; P557-F572 VanDerWaalsContact CB-CZ 3.46Å; P557-F572 HydrophobicContact CG-CB 4.41Å; P557-F572 HydrophobicContact CG-CD1 3.8Å; P557-F572 HydrophobicContact CG-CD2 3.48Å; P557-F572 VanDerWaalsContact CG-CD2 3.48Å; P557-F572 HydrophobicContact CG-CE1 3.89Å; P557-F572 HydrophobicContact CG-CE2 3.58Å; P557-F572 HydrophobicContact CG-CG 3.61Å; P557-F572 HydrophobicContact CG-CZ 3.8Å; T565-F572 CarbonylContact O-C 3.59Å; T565-F572 WeakPolarHBondContact O-CA 3.33Å; F572-I586 HydrophobicContact CE2-CD1 4.35Å
573	E	83.5	Confident	83.1	Confident	118 Å²	118	79 Å²	79	55%	0.551	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	146	170.7	174.4	174.6	-144.7	0	0	108.4	T565 F567	T565-E573 PolarHBondContact N-O 3.09Å; T565-E573 PolarHBondContact O-N 2.9Å; T565-E573 PolarHBondContact OG1-O 2.84Å; F567-E573 HydrophobicContact CE2-CB 3.7Å; F567-E573 HydrophobicContact CZ-CB 4.07Å
574	C	88.3	Confident	83	Confident	19 Å²	19	76.4 Å²	76.4	13%	0.128	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.4	177.7	-59.4	0	0	0	0	109.7	C558 T562 I586	C558-C574 WeakPolarHBondContact CA-SG 3.46Å; C558-C574 HydrophobicContact CB-CB 3.77Å; C558-C574 WeakPolarHBondContact CB-SG 3.09Å; C558-C574 WeakPolarHBondContact SG-CA 3.36Å; C558-C574 WeakPolarHBondContact SG-CB 3.02Å; C558-C574 CovalentContact SG-SG 2.03Å; C558-C574 PolarHBondContact SG-SG 3.03Å; T562-C574 HydrophobicContact CG2-CB 4.36Å; C574-I586 HydrophobicContact CB-CG1 4.15Å; C574-I586 VanDerWaalsContact SG-CG1 3.5Å
575	G	85.2	Confident	82.8	Confident	30 Å²	30	74.7 Å²	74.7	31%	0.309	40%	0.397	S	S	.	.			trans	-71.2	-175	174	0	0	0	0	0	113.2	T562 K563 G585	T562-G575 WeakPolarHBondContact CG2-O 3.48Å; K563-G575 PolarHBondContact O-N 3.11Å; G575-G585 WeakPolarHBondContact O-CA 3.11Å
576	K	88.2	Confident	82.7	Confident	199 Å²	199	76.4 Å²	76.4	87%	0.865	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-58.1	144	173.1	-63.3	-171.3	176.5	-169.1	0	111.5
577	C	88.3	Confident	83	Confident	20 Å²	20	78.6 Å²	78.6	14%	0.135	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-53.2	157.2	172	-65.8	0	0	0	0	112.9	Y581 C588	C577-Y581 WeakPolarHBondContact CB-O 3.18Å; C577-C588 VanDerWaalsContact CA-SG 3.59Å; C577-C588 HydrophobicContact CB-CB 3.79Å; C577-C588 WeakPolarHBondContact CB-SG 3.29Å; C577-C588 WeakPolarHBondContact SG-CB 3.37Å; C577-C588 CovalentContact SG-SG 2.04Å; C577-C588 PolarHBondContact SG-SG 3.19Å
578	P	88.6	Confident	83.5	Confident	35 Å²	35	74.7 Å²	74.7	23%	0.227	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.6	159.4	175.3	-20.3	32.8	0	0	0	113	F559 P560 G580 Y581	F559-P578 HydrophobicContact CD1-CG 4.21Å; F559-P578 HydrophobicContact CE1-CG 4.31Å; P560-P578 WeakPolarHBondContact O-CG 3.47Å; P578-G580 PolarHBondContact O-N 3.05Å; P578-Y581 HydrophobicContact CB-CD2 4.11Å; P578-Y581 HydrophobicContact CG-CD2 4.45Å; P578-Y581 WeakPolarHBondContact O-CB 3.42Å; P578-Y581 PolarHBondContact O-N 2.61Å
579	L	85.4	Confident	84.4	Confident	122 Å²	122	66.1 Å²	66.1	64%	0.639	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	132.1	173.2	-66.4	173.1	0	0	0	110.7
580	G	84.1	Confident	85.2	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-5.4	-167.8	0	0	0	0	0	114.5	P578 I591 E593	P578-G580 PolarHBondContact O-N 3.05Å; G580-I591 PolarHBondContact O-N 3.41Å; G580-E593 WeakPolarHBondContact CA-OE1 3.02Å
581	Y	88.4	Confident	86.2	Confident	52 Å²	52	61.8 Å²	61.8	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.4	178.8	-64.5	-94.6	0	0	0	113.2	F559 C577 P578 C588 T589 D590 P615	F559-Y581 HydrophobicContact CE1-CD1 4.08Å; F559-Y581 HydrophobicContact CE1-CD2 4.38Å; F559-Y581 HydrophobicContact CE1-CE1 4.13Å; F559-Y581 HydrophobicContact CE1-CE2 4.38Å; F559-Y581 HydrophobicContact CE1-CG 4.25Å; F559-Y581 AromaticContact CZ-CD1 3.86Å; F559-Y581 HydrophobicContact CZ-CD1 3.86Å; F559-Y581 AromaticContact CZ-CE1 3.66Å; F559-Y581 HydrophobicContact CZ-CE1 3.66Å; F559-Y581 HydrophobicContact CZ-CG 4.48Å; C577-Y581 WeakPolarHBondContact CB-O 3.18Å; P578-Y581 HydrophobicContact CB-CD2 4.11Å; P578-Y581 HydrophobicContact CG-CD2 4.45Å; P578-Y581 WeakPolarHBondContact O-CB 3.42Å; P578-Y581 PolarHBondContact O-N 2.61Å; Y581-C588 HydrophobicContact CD1-CB 4.31Å; Y581-C588 HydrophobicContact CG-CB 4.42Å; Y581-T589 CarbonylContact C-O 3.42Å; Y581-T589 VanDerWaalsContact CA-O 3.25Å; Y581-T589 WeakPolarHBondContact CA-O 3.18Å; Y581-T589 VanDerWaalsContact CD1-C 3.5Å; Y581-D590 HydrophobicContact CE1-CB 4.44Å; Y581-P615 HydrophobicContact CD2-CB 4.14Å; Y581-P615 HydrophobicContact CE2-CB 3.43Å; Y581-P615 VanDerWaalsContact CE2-CB 3.43Å; Y581-P615 HydrophobicContact CE2-CG 3.74Å
582	T	87.4	Confident	86.8	Confident	81 Å²	81	61.8 Å²	61.8	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.4	172.5	-171.7	0	0	0	0	110.8	C588 T589 I591	T582-C588 CarbonylContact O-C 2.83Å; T582-C588 VanDerWaalsContact O-CA 3.32Å; T582-C588 WeakPolarHBondContact O-CA 3.47Å; T582-T589 PolarHBondContact N-O 3.35Å; T582-T589 PolarHBondContact O-N 2.76Å; T582-I591 HydrophobicContact CG2-CG1 3.96Å
583	G	86.8	Confident	87.3	Confident	51 Å²	51	57.9 Å²	57.9	53%	0.526	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.9	-164.2	-178.1	0	0	0	0	0	114.5	T587	G583-T587 WeakPolarHBondContact CA-O 3.2Å
584	D	86.1	Confident	87.6	Confident	103 Å²	103	52.9 Å²	52.9	55%	0.551	30%	0.303	S	S	*	.	S	Bend	trans	-97.6	4	-174.1	70.2	3.4	0	0	0	114.4	I586 T587	D584-I586 VanDerWaalsContact C-N 3.25Å; D584-I586 PolarHBondContact O-N 2.86Å; D584-I586 WeakPolarHBondContact OD1-CA 3.3Å; D584-I586 WeakPolarHBondContact OD1-CB 3.18Å; D584-I586 PolarHBondContact OD1-N 3.34Å; D584-T587 PolarHBondContact N-O 3.06Å; D584-T587 PolarHBondContact OD1-N 3.14Å
585	G	82.6	Confident	87.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	84.1	-13.6	-177.5	0	0	0	0	0	114.9	C558 F559 G575	C558-G585 WeakPolarHBondContact CA-O 3.43Å; C558-G585 WeakPolarHBondContact CB-O 2.98Å; F559-G585 PolarHBondContact N-O 3.21Å; G575-G585 WeakPolarHBondContact O-CA 3.11Å
586	I	84.1	Confident	87.7	Confident	88 Å²	88	64.1 Å²	64.1	45%	0.451	34%	0.343	S	S	.	.	S	Bend	trans	-95.9	-49.2	168.9	-61.6	170.4	0	0	0	108.6	F572 C574 D584	F572-I586 HydrophobicContact CE2-CD1 4.35Å; C574-I586 HydrophobicContact CB-CG1 4.15Å; C574-I586 VanDerWaalsContact SG-CG1 3.5Å; D584-I586 VanDerWaalsContact C-N 3.25Å; D584-I586 PolarHBondContact O-N 2.86Å; D584-I586 WeakPolarHBondContact OD1-CA 3.3Å; D584-I586 WeakPolarHBondContact OD1-CB 3.18Å; D584-I586 PolarHBondContact OD1-N 3.34Å
587	T	85.8	Confident	87.6	Confident	91 Å²	91	55 Å²	55	56%	0.558	30%	0.304	S	S	*	.	S	Bend	trans	-111.3	112.3	172.3	-44.7	0	0	0	0	108	G583 D584	G583-T587 WeakPolarHBondContact CA-O 3.2Å; D584-T587 PolarHBondContact N-O 3.06Å; D584-T587 PolarHBondContact OD1-N 3.14Å
588	C	89.8	Confident	87.3	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.068	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.4	173.7	-60.8	0	0	0	0	108.6	F559 C577 Y581 T582	F559-C588 HydrophobicContact CB-CB 4.06Å; F559-C588 HydrophobicContact CD1-CB 3.62Å; F559-C588 HydrophobicContact CD2-CB 3.74Å; F559-C588 HydrophobicContact CE1-CB 3.89Å; F559-C588 HydrophobicContact CE2-CB 4Å; F559-C588 WeakPolarHBondContact CE2-O 3.05Å; F559-C588 HydrophobicContact CG-CB 3.53Å; F559-C588 HydrophobicContact CZ-CB 4.07Å; C577-C588 VanDerWaalsContact CA-SG 3.59Å; C577-C588 HydrophobicContact CB-CB 3.79Å; C577-C588 WeakPolarHBondContact CB-SG 3.29Å; C577-C588 WeakPolarHBondContact SG-CB 3.37Å; C577-C588 CovalentContact SG-SG 2.04Å; C577-C588 PolarHBondContact SG-SG 3.19Å; Y581-C588 HydrophobicContact CD1-CB 4.31Å; Y581-C588 HydrophobicContact CG-CB 4.42Å; T582-C588 CarbonylContact O-C 2.83Å; T582-C588 VanDerWaalsContact O-CA 3.32Å; T582-C588 WeakPolarHBondContact O-CA 3.47Å
589	T	88.8	Confident	87.2	Confident	83 Å²	83	60.5 Å²	60.5	51%	0.509	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.1	174.7	54.8	0	0	0	0	109.5	Y581 T582	Y581-T589 CarbonylContact C-O 3.42Å; Y581-T589 VanDerWaalsContact CA-O 3.25Å; Y581-T589 WeakPolarHBondContact CA-O 3.18Å; Y581-T589 VanDerWaalsContact CD1-C 3.5Å; T582-T589 PolarHBondContact N-O 3.35Å; T582-T589 PolarHBondContact O-N 2.76Å
590	D	91.1	Very high	87.3	Confident	32 Å²	32	54.7 Å²	54.7	17%	0.171	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	151.1	176.4	-164.5	67.3	0	0	0	111.6	Y581 N612 E614 P615	Y581-D590 HydrophobicContact CE1-CB 4.44Å; D590-N612 PolarHBondContact OD2-ND2 2.76Å; D590-E614 HydrophobicContact CB-CG 4.15Å; D590-P615 WeakPolarHBondContact OD1-CA 3.28Å
591	I	90	Very high	87.6	Confident	32 Å²	32	54.9 Å²	54.9	16%	0.164	31%	0.306	C	S	.	.			trans	-101.8	120.1	174.3	-56.6	173	0	0	0	108.5	G580 T582 E593 E596 N612 V636	G580-I591 PolarHBondContact O-N 3.41Å; T582-I591 HydrophobicContact CG2-CG1 3.96Å; I591-E593 HydrophobicContact CB-CG 4.26Å; I591-E593 HydrophobicContact CG2-CG 3.96Å; I591-E593 PolarHBondContact O-N 3.47Å; I591-E596 HydrophobicContact CG2-CG 4.02Å; I591-N612 PolarHBondContact O-OD1 3.41Å; I591-V636 HydrophobicContact CG2-CG2 3.94Å
592	D	90	Very high	87.5	Confident	48 Å²	48	54.1 Å²	54.1	26%	0.257	30%	0.304	S	S	.	.			trans	-73.8	79.6	173.4	-161.9	-45.6	0	0	0	110.5	C594 K595 E596 N612	D592-C594 PolarHBondContact O-N 2.68Å; D592-K595 HydrophobicContact CB-CB 4.27Å; D592-K595 HydrophobicContact CB-CD 4.26Å; D592-K595 HydrophobicContact CB-CG 4.46Å; D592-K595 VanDerWaalsContact CG-NZ 3.34Å; D592-K595 PolarHBondContact O-N 3.42Å; D592-K595 WeakPolarHBondContact OD1-CG 3.47Å; D592-K595 PolarHBondContact OD1-N 3.42Å; D592-K595 IonicContact OD1-NZ 3.48Å; D592-K595 PolarHBondContact OD1-NZ 3.29Å; D592-K595 IonicContact OD2-NZ 2.61Å; D592-K595 PolarHBondContact OD2-NZ 3.42Å; D592-E596 PolarHBondContact O-N 3.15Å; D592-N612 WeakPolarHBondContact CA-OD1 3.22Å
593	E	91.9	Very high	87.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-24.3	-173.4	-75.3	150.3	-167.1	0	0	112	G580 I591 K595 V597 N612 G616 Y617 G635 V636 A639	G580-E593 WeakPolarHBondContact CA-OE1 3.02Å; I591-E593 HydrophobicContact CB-CG 4.26Å; I591-E593 HydrophobicContact CG2-CG 3.96Å; I591-E593 PolarHBondContact O-N 3.47Å; E593-K595 VanDerWaalsContact C-N 3.34Å; E593-V597 PolarHBondContact O-N 2.87Å; E593-N612 PolarHBondContact N-OD1 2.95Å; E593-G616 WeakPolarHBondContact OE2-CA 3.38Å; E593-Y617 HydrophobicContact CB-CD1 4.15Å; E593-Y617 HydrophobicContact CB-CG 4.37Å; E593-Y617 WeakPolarHBondContact OE2-CD1 3.09Å; E593-Y617 PolarHBondContact OE2-N 2.78Å; E593-G635 WeakPolarHBondContact OE1-CA 3.31Å; E593-G635 PolarHBondContact OE1-N 3.16Å; E593-G635 PolarHBondContact OE2-N 3.06Å; E593-V636 HydrophobicContact CG-CG2 4.25Å; E593-A639 HydrophobicContact CB-CB 4.46Å
594	C	88.7	Confident	86.7	Confident	13 Å²	13	51.9 Å²	51.9	9%	0.088	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-25.8	171.3	-62	0	0	0	0	113.9	D592 H608 C610 N612	D592-C594 PolarHBondContact O-N 2.68Å; C594-H608 PolarHBondContact O-CE1 3.02Å; C594-H608 VanDerWaalsContact O-CE1 3.28Å; C594-H608 PolarHBondContact O-ND1 2.86Å; C594-C610 WeakPolarHBondContact CA-SG 3.26Å; C594-C610 HydrophobicContact CB-CB 3.63Å; C594-C610 WeakPolarHBondContact CB-SG 3.38Å; C594-C610 WeakPolarHBondContact SG-CB 3.21Å; C594-C610 CovalentContact SG-SG 2.03Å; C594-C610 PolarHBondContact SG-SG 3.14Å; C594-N612 PolarHBondContact SG-N 2.68Å
595	K	87.6	Confident	85.8	Confident	151 Å²	151	51.2 Å²	51.2	66%	0.657	28%	0.275	S	S	*	.	H	α-helix	trans	-89.3	-37.9	172	-73.3	177.4	-174.9	63.7	0	112.6	D592 E593	D592-K595 HydrophobicContact CB-CB 4.27Å; D592-K595 HydrophobicContact CB-CD 4.26Å; D592-K595 HydrophobicContact CB-CG 4.46Å; D592-K595 VanDerWaalsContact CG-NZ 3.34Å; D592-K595 PolarHBondContact O-N 3.42Å; D592-K595 WeakPolarHBondContact OD1-CG 3.47Å; D592-K595 PolarHBondContact OD1-N 3.42Å; D592-K595 IonicContact OD1-NZ 3.48Å; D592-K595 PolarHBondContact OD1-NZ 3.29Å; D592-K595 IonicContact OD2-NZ 2.61Å; D592-K595 PolarHBondContact OD2-NZ 3.42Å; E593-K595 VanDerWaalsContact C-N 3.34Å
596	E	88.4	Confident	85.1	Confident	134 Å²	134	54.8 Å²	54.8	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-73.8	-26.7	-179.6	-64.5	-69.6	132.9	0	0	112.7	I591 D592 V636	I591-E596 HydrophobicContact CG2-CG 4.02Å; D592-E596 PolarHBondContact O-N 3.15Å; E596-V636 HydrophobicContact CB-CG2 3.96Å; E596-V636 HydrophobicContact CG-CG2 4.39Å
597	V	86	Confident	84.7	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.042	32%	0.319	C	S	.	.			trans	-130.1	83.1	176.2	-168.7	0	0	0	0	110.2	E593 D599 A600 V636 A639	E593-V597 PolarHBondContact O-N 2.87Å; V597-D599 PolarHBondContact O-N 2.92Å; V597-D599 VanDerWaalsContact O-N 3.08Å; V597-A600 HydrophobicContact CB-CB 4.07Å; V597-A600 HydrophobicContact CG1-CB 3.86Å; V597-A600 WeakPolarHBondContact O-CB 3.44Å; V597-A600 PolarHBondContact O-N 3.1Å; V597-A600 VanDerWaalsContact O-N 3.13Å; V597-V636 HydrophobicContact CG2-CB 4.49Å; V597-V636 HydrophobicContact CG2-CG1 3.68Å; V597-A639 HydrophobicContact CB-CB 3.97Å; V597-A639 HydrophobicContact CG1-CB 4.33Å; V597-A639 HydrophobicContact CG2-CB 3.88Å
598	P	82.8	Confident	84.6	Confident	87 Å²	87	54.2 Å²	54.2	57%	0.565	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.6	-175.4	29.9	-37	0	0	0	114.8	H608	P598-H608 PolarHBondContact O-CD2 2.91Å; P598-H608 PolarHBondContact O-NE2 3.47Å
599	D	85.8	Confident	84.4	Confident	85 Å²	85	56.9 Å²	56.9	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	20.8	173.1	73	-10.5	0	0	0	113.1	V597 K643	V597-D599 PolarHBondContact O-N 2.92Å; V597-D599 VanDerWaalsContact O-N 3.08Å; D599-K643 WeakPolarHBondContact O-CD 3.29Å; D599-K643 WeakPolarHBondContact O-CG 3.42Å; D599-K643 WeakPolarHBondContact OD1-CE 3.5Å; D599-K643 IonicContact OD1-NZ 2.67Å; D599-K643 PolarHBondContact OD1-NZ 2.92Å; D599-K643 IonicContact OD2-NZ 3.7Å; D599-K643 PolarHBondContact OD2-NZ 2.84Å
600	A	86.9	Confident	84.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-70.1	-36.8	172.8	0	0	0	0	0	112.3	V597 Y617 A639 K643 Q644	V597-A600 HydrophobicContact CB-CB 4.07Å; V597-A600 HydrophobicContact CG1-CB 3.86Å; V597-A600 WeakPolarHBondContact O-CB 3.44Å; V597-A600 PolarHBondContact O-N 3.1Å; V597-A600 VanDerWaalsContact O-N 3.13Å; A600-Y617 HydrophobicContact CB-CE2 4.44Å; A600-A639 HydrophobicContact CB-CB 3.92Å; A600-K643 CarbonylContact O-C 3.57Å; A600-K643 WeakPolarHBondContact O-CA 2.92Å; A600-Q644 PolarHBondContact O-N 2.86Å
601	C	89.6	Confident	84.6	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.034	31%	0.309	C	S	.	.	S	Bend	trans	-119.3	162.4	179.2	-55.7	0	0	0	0	110.9	T603 H608 C610 C619	C601-T603 PolarHBondContact O-N 2.77Å; C601-H608 PolarHBondContact N-NE2 3.23Å; C601-H608 PolarHBondContact O-CD2 2.88Å; C601-C610 HydrophobicContact CB-CB 3.84Å; C601-C610 VanDerWaalsContact SG-CB 3.51Å; C601-C610 PolarHBondContact SG-SG 3.02Å; C601-C619 WeakPolarHBondContact CA-SG 3.39Å; C601-C619 HydrophobicContact CB-CB 3.72Å; C601-C619 WeakPolarHBondContact CB-SG 3.27Å; C601-C619 WeakPolarHBondContact SG-CA 3.35Å; C601-C619 WeakPolarHBondContact SG-CB 3.31Å; C601-C619 CovalentContact SG-SG 2.04Å; C601-C619 PolarHBondContact SG-SG 2.86Å
602	H	87.4	Confident	84.7	Confident	36 Å²	36	58.3 Å²	58.3	17%	0.167	32%	0.315	C	S	.	.			trans	-70.4	132.5	-178.7	176.6	67.4	0	0	0	110.3	H604 R609 Q644 C646	H602-H604 AromaticContact NE2-CE1 3.41Å; H602-H604 PolarHBondContact NE2-CE1 2.85Å; H602-R609 VanDerWaalsContact O-CB 3.27Å; H602-R609 WeakPolarHBondContact O-CB 3.41Å; H602-R609 WeakPolarHBondContact O-CG 3.4Å; H602-R609 PolarHBondContact O-N 3.02Å; H602-R609 VanDerWaalsContact O-N 3.14Å; H602-Q644 HydrophobicContact CB-CB 4.41Å; H602-Q644 HydrophobicContact CB-CG 4.08Å; H602-C646 HydrophobicContact CB-CB 4.29Å; H602-C646 VanDerWaalsContact CB-SG 3.59Å
603	T	83.1	Confident	84.7	Confident	63 Å²	63	58.7 Å²	58.7	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.4	172.3	-63	0	0	0	0	108.3	C601 I607	C601-T603 PolarHBondContact O-N 2.77Å; T603-I607 WeakPolarHBondContact CA-O 3.24Å
604	H	74.8	Confident	84.6	Confident	21 Å²	21	66.8 Å²	66.8	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.9	180	-173	70.9	0	0	0	108	H602 G606 I607 P623 F626	H602-H604 AromaticContact NE2-CE1 3.41Å; H602-H604 PolarHBondContact NE2-CE1 2.85Å; H604-G606 PolarHBondContact O-N 2.92Å; H604-I607 PolarHBondContact N-O 3.07Å; H604-I607 VanDerWaalsContact N-O 3.1Å; H604-I607 WeakPolarHBondContact O-CB 3.33Å; H604-I607 PolarHBondContact O-N 2.86Å; H604-P623 HydrophobicContact CB-CG 3.77Å; H604-P623 VanDerWaalsContact CG-CG 3.5Å; H604-F626 AromaticContact NE2-CE2 3.51Å
605	N	66.3	Low	84.4	Confident	90 Å²	90	67.3 Å²	67.3	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	47.6	-175.3	-54.4	6	0	0	0	111.9	I607 D922	N605-I607 PolarHBondContact O-N 2.81Å; N605-I607 VanDerWaalsContact O-N 3.12Å; N605-D922 PolarHBondContact ND2-OD2 3.31Å
606	G	67.4	Low	84.6	Confident	74 Å²	74	60.1 Å²	60.1	76%	0.763	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-10.7	-177.2	0	0	0	0	0	116.6	H604	H604-G606 PolarHBondContact O-N 2.92Å
607	I	76.8	Confident	84.8	Confident	119 Å²	119	54 Å²	54	61%	0.61	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	-176.7	-57.3	175.1	0	0	0	110.7	T603 H604 N605 R609	T603-I607 WeakPolarHBondContact CA-O 3.24Å; H604-I607 PolarHBondContact N-O 3.07Å; H604-I607 VanDerWaalsContact N-O 3.1Å; H604-I607 WeakPolarHBondContact O-CB 3.33Å; H604-I607 PolarHBondContact O-N 2.86Å; N605-I607 PolarHBondContact O-N 2.81Å; N605-I607 VanDerWaalsContact O-N 3.12Å; I607-R609 PolarHBondContact O-N 3.08Å
608	H	83.1	Confident	85.1	Confident	49 Å²	49	55.7 Å²	55.7	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.1	173.9	-178.9	-140.5	0	0	0	110.7	C594 P598 C601 C610	C594-H608 PolarHBondContact O-CE1 3.02Å; C594-H608 VanDerWaalsContact O-CE1 3.28Å; C594-H608 PolarHBondContact O-ND1 2.86Å; P598-H608 PolarHBondContact O-CD2 2.91Å; P598-H608 PolarHBondContact O-NE2 3.47Å; C601-H608 PolarHBondContact N-NE2 3.23Å; C601-H608 PolarHBondContact O-CD2 2.88Å; H608-C610 WeakPolarHBondContact CE1-CB 3.29Å; H608-C610 PolarHBondContact O-N 3.29Å
609	R	87	Confident	85.6	Confident	66 Å²	66	51.6 Å²	51.6	25%	0.249	28%	0.282	C	S	.	.			trans	-84.3	51.5	-170.7	-59	178.2	67.9	96.9	-8.1	113.5	H602 I607 L620	H602-R609 VanDerWaalsContact O-CB 3.27Å; H602-R609 WeakPolarHBondContact O-CB 3.41Å; H602-R609 WeakPolarHBondContact O-CG 3.4Å; H602-R609 PolarHBondContact O-N 3.02Å; H602-R609 VanDerWaalsContact O-N 3.14Å; I607-R609 PolarHBondContact O-N 3.08Å; R609-L620 HydrophobicContact CB-CB 4.15Å; R609-L620 HydrophobicContact CB-CD1 4.16Å; R609-L620 HydrophobicContact CB-CG 4.48Å; R609-L620 PolarHBondContact O-N 3.15Å
610	C	90.7	Very high	85.7	Confident	23 Å²	23	50 Å²	50	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	-176.9	-170.6	0	0	0	0	112	C594 C601 H608	C594-C610 WeakPolarHBondContact CA-SG 3.26Å; C594-C610 HydrophobicContact CB-CB 3.63Å; C594-C610 WeakPolarHBondContact CB-SG 3.38Å; C594-C610 WeakPolarHBondContact SG-CB 3.21Å; C594-C610 CovalentContact SG-SG 2.03Å; C594-C610 PolarHBondContact SG-SG 3.14Å; C601-C610 HydrophobicContact CB-CB 3.84Å; C601-C610 VanDerWaalsContact SG-CB 3.51Å; C601-C610 PolarHBondContact SG-SG 3.02Å; H608-C610 WeakPolarHBondContact CE1-CB 3.29Å; H608-C610 PolarHBondContact O-N 3.29Å
611	E	92.3	Very high	85.8	Confident	100 Å²	100	53.4 Å²	53.4	47%	0.467	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.4	171.3	-65	-174	139.1	0	0	110.5	Y617 N618 L620	E611-Y617 WeakPolarHBondContact O-CA 3.32Å; E611-N618 PolarHBondContact N-O 2.93Å; E611-N618 PolarHBondContact O-N 2.95Å; E611-L620 HydrophobicContact CG-CD2 3.93Å; E611-L620 HydrophobicContact CG-CG 4.32Å
612	N	91.4	Very high	85.6	Confident	54 Å²	54	54.1 Å²	54.1	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.7	170.7	-164.9	68.8	0	0	0	110.6	D590 I591 D592 E593 C594	D590-N612 PolarHBondContact OD2-ND2 2.76Å; I591-N612 PolarHBondContact O-OD1 3.41Å; D592-N612 WeakPolarHBondContact CA-OD1 3.22Å; E593-N612 PolarHBondContact N-OD1 2.95Å; C594-N612 PolarHBondContact SG-N 2.68Å
613	T	90.2	Very high	85.3	Confident	56 Å²	56	52.7 Å²	52.7	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.7	-174.5	72.1	0	0	0	0	110.1	P615 G616 N618	T613-P615 CarbonylContact O-C 3.5Å; T613-P615 WeakPolarHBondContact O-CA 3.05Å; T613-G616 CarbonylContact C-O 3.37Å; T613-G616 WeakPolarHBondContact CA-O 3.43Å; T613-G616 WeakPolarHBondContact CB-O 3.35Å; T613-G616 PolarHBondContact N-O 2.88Å; T613-G616 PolarHBondContact O-N 2.67Å; T613-G616 PolarHBondContact OG1-O 3.4Å; T613-N618 HydrophobicContact CG2-CB 4.42Å
614	E	89.5	Confident	85	Confident	169 Å²	169	53.1 Å²	53.1	79%	0.79	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	97.3	177.1	-64.6	-173.2	176	0	0	110.9	D590	D590-E614 HydrophobicContact CB-CG 4.15Å
615	P	86.3	Confident	85.1	Confident	25 Å²	25	53.6 Å²	53.6	16%	0.162	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	cis	-109.2	146.8	-2.4	37.4	-27.7	0	0	0	115.3	Y581 D590 T613 R634	Y581-P615 HydrophobicContact CD2-CB 4.14Å; Y581-P615 HydrophobicContact CE2-CB 3.43Å; Y581-P615 VanDerWaalsContact CE2-CB 3.43Å; Y581-P615 HydrophobicContact CE2-CG 3.74Å; D590-P615 WeakPolarHBondContact OD1-CA 3.28Å; T613-P615 CarbonylContact O-C 3.5Å; T613-P615 WeakPolarHBondContact O-CA 3.05Å; P615-R634 WeakPolarHBondContact O-CG 3.09Å; P615-R634 PolarHBondContact O-NE 2.87Å
616	G	90.2	Very high	85.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.4	-173.6	174.5	0	0	0	0	0	114.3	E593 T613 G633	E593-G616 WeakPolarHBondContact OE2-CA 3.38Å; T613-G616 CarbonylContact C-O 3.37Å; T613-G616 WeakPolarHBondContact CA-O 3.43Å; T613-G616 WeakPolarHBondContact CB-O 3.35Å; T613-G616 PolarHBondContact N-O 2.88Å; T613-G616 PolarHBondContact O-N 2.67Å; T613-G616 PolarHBondContact OG1-O 3.4Å; G616-G633 CarbonylContact C-O 3.55Å; G616-G633 WeakPolarHBondContact CA-O 3.42Å
617	Y	93.1	Very high	86.6	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157	173.3	77.6	-77.4	0	0	0	112.1	E593 A600 E611 P631 F632 G633 Q638 A639	E593-Y617 HydrophobicContact CB-CD1 4.15Å; E593-Y617 HydrophobicContact CB-CG 4.37Å; E593-Y617 WeakPolarHBondContact OE2-CD1 3.09Å; E593-Y617 PolarHBondContact OE2-N 2.78Å; A600-Y617 HydrophobicContact CB-CE2 4.44Å; E611-Y617 WeakPolarHBondContact O-CA 3.32Å; Y617-P631 HydrophobicContact CE2-CB 4.35Å; Y617-F632 WeakPolarHBondContact O-CA 3.11Å; Y617-G633 PolarHBondContact N-O 2.64Å; Y617-G633 PolarHBondContact O-N 3.16Å; Y617-G633 VanDerWaalsContact O-N 3.08Å; Y617-Q638 PolarHBondContact OH-O 3.2Å; Y617-A639 HydrophobicContact CD1-CB 3.89Å; Y617-A639 VanDerWaalsContact CE1-CA 3.48Å; Y617-A639 HydrophobicContact CE1-CB 3.51Å
618	N	93	Very high	87.1	Confident	44 Å²	44	46 Å²	46	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.4	171.8	-179.8	58.2	0	0	0	109	E611 T613	E611-N618 PolarHBondContact N-O 2.93Å; E611-N618 PolarHBondContact O-N 2.95Å; T613-N618 HydrophobicContact CG2-CB 4.42Å
619	C	92.5	Very high	87.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	146.4	166.3	-59.2	0	0	0	0	109.7	C601 Q630 P631	C601-C619 WeakPolarHBondContact CA-SG 3.39Å; C601-C619 HydrophobicContact CB-CB 3.72Å; C601-C619 WeakPolarHBondContact CB-SG 3.27Å; C601-C619 WeakPolarHBondContact SG-CA 3.35Å; C601-C619 WeakPolarHBondContact SG-CB 3.31Å; C601-C619 CovalentContact SG-SG 2.04Å; C601-C619 PolarHBondContact SG-SG 2.86Å; C619-Q630 WeakPolarHBondContact O-CG 3.47Å; C619-Q630 PolarHBondContact O-NE2 2.97Å; C619-P631 WeakPolarHBondContact CB-O 3.29Å; C619-P631 PolarHBondContact N-O 3.31Å
620	L	88.7	Confident	87.4	Confident	52 Å²	52	48.8 Å²	48.8	27%	0.272	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.8	161.2	164.2	-64.7	177.4	0	0	0	109.9	R609 E611 Q644	R609-L620 HydrophobicContact CB-CB 4.15Å; R609-L620 HydrophobicContact CB-CD1 4.16Å; R609-L620 HydrophobicContact CB-CG 4.48Å; R609-L620 PolarHBondContact O-N 3.15Å; E611-L620 HydrophobicContact CG-CD2 3.93Å; E611-L620 HydrophobicContact CG-CG 4.32Å; L620-Q644 PolarHBondContact O-NE2 2.68Å
621	P	88.4	Confident	87.4	Confident	72 Å²	72	48.3 Å²	48.3	47%	0.468	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-57.2	155.4	166.1	26.8	-36	0	0	0	110.9
622	C	85.6	Confident	87.4	Confident	20 Å²	20	50.4 Å²	50.4	14%	0.135	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-53.1	151.9	171.6	-67.6	0	0	0	0	111.1	F626 C646	C622-F626 HydrophobicContact CB-CB 4.1Å; C622-C646 VanDerWaalsContact CA-SG 3.5Å; C622-C646 HydrophobicContact CB-CB 3.83Å; C622-C646 WeakPolarHBondContact CB-SG 2.99Å; C622-C646 VanDerWaalsContact SG-CA 3.57Å; C622-C646 WeakPolarHBondContact SG-CB 3.49Å; C622-C646 CovalentContact SG-SG 2.04Å; C622-C646 PolarHBondContact SG-SG 3.38Å
623	P	80.8	Confident	87.3	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.039	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-54.8	165.8	174.4	-24.4	33.6	0	0	0	113.4	H604 F626	H604-P623 HydrophobicContact CB-CG 3.77Å; H604-P623 VanDerWaalsContact CG-CG 3.5Å; P623-F626 HydrophobicContact CB-CD2 4.21Å; P623-F626 PolarHBondContact O-N 3.46Å
624	S	76.3	Confident	87.3	Confident	71 Å²	71	52.1 Å²	52.1	50%	0.497	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	148.6	162.1	-62.9	0	0	0	0	110.2	F626	S624-F626 WeakPolarHBondContact O-CD2 3.32Å; S624-F626 PolarHBondContact O-N 3.19Å
625	R	77.4	Confident	87.2	Confident	32 Å²	32	44.4 Å²	44.4	12%	0.121	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-12.5	-176	-54.3	155.9	176.8	-72	6.1	116.3	R649 V670 Y671 S672 M675 D926	R625-R649 WeakPolarHBondContact O-CB 3.4Å; R625-R649 PolarHBondContact O-N 2.92Å; R625-V670 HydrophobicContact CB-CG1 3.89Å; R625-V670 WeakPolarHBondContact CD-O 3.42Å; R625-V670 PolarHBondContact NH1-O 2.91Å; R625-Y671 VanDerWaalsContact CZ-O 3.31Å; R625-Y671 PolarHBondContact NH1-O 2.8Å; R625-Y671 PolarHBondContact NH2-O 3.4Å; R625-Y671 VanDerWaalsContact NH2-O 3.14Å; R625-S672 PolarHBondContact NH1-O 2.87Å; R625-M675 HydrophobicContact CB-SD 4.4Å; R625-M675 HydrophobicContact CG-SD 4.39Å; R625-D926 IonicContact CZ-OD2 2.66Å; R625-D926 IonicContact NE-OD2 3.91Å; R625-D926 PolarHBondContact NE-OD2 3.14Å; R625-D926 IonicContact NH2-OD2 3.75Å; R625-D926 PolarHBondContact NH2-OD2 3.16Å
626	F	83.4	Confident	87.2	Confident	31 Å²	31	45.6 Å²	45.6	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	160.5	175.3	-70.7	-101.2	0	0	0	112.6	H604 C622 P623 S624 C646 P648 V670	H604-F626 AromaticContact NE2-CE2 3.51Å; C622-F626 HydrophobicContact CB-CB 4.1Å; P623-F626 HydrophobicContact CB-CD2 4.21Å; P623-F626 PolarHBondContact O-N 3.46Å; S624-F626 WeakPolarHBondContact O-CD2 3.32Å; S624-F626 PolarHBondContact O-N 3.19Å; F626-C646 HydrophobicContact CB-CB 4.15Å; F626-C646 HydrophobicContact CD1-CB 4.28Å; F626-P648 HydrophobicContact CD1-CB 4.44Å; F626-P648 HydrophobicContact CD1-CG 4.16Å; F626-P648 HydrophobicContact CE1-CB 4.24Å; F626-P648 HydrophobicContact CE1-CG 3.67Å; F626-P648 HydrophobicContact CZ-CG 4.32Å; F626-V670 HydrophobicContact CE2-CG1 4.05Å; F626-V670 HydrophobicContact CZ-CG1 4.25Å
627	S	82.9	Confident	87	Confident	48 Å²	48	53.4 Å²	53.4	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.5	177.4	64.9	0	0	0	0	111.4	C646 T647	S627-C646 CarbonylContact O-C 3.57Å; S627-C646 WeakPolarHBondContact O-CA 3.13Å; S627-T647 PolarHBondContact N-O 3.2Å; S627-T647 PolarHBondContact O-N 2.71Å; S627-T647 PolarHBondContact O-OG1 2.72Å; S627-T647 PolarHBondContact OG-O 2.93Å
628	G	85.5	Confident	86.7	Confident	45 Å²	45	56.4 Å²	56.4	46%	0.464	31%	0.307	S	S	.	.			trans	168.5	174.5	-176.8	0	0	0	0	0	113	V645	G628-V645 WeakPolarHBondContact CA-O 3.43Å
629	P	86.4	Confident	86.4	Confident	80 Å²	80	54.3 Å²	54.3	52%	0.519	30%	0.295	S	S	.	.			trans	-64.1	159.4	170.9	28.9	-35.9	0	0	0	111.9	P631 Q644 V645	P629-P631 WeakPolarHBondContact O-CD 3.32Å; P629-Q644 WeakPolarHBondContact O-CG 3.43Å; P629-Q644 PolarHBondContact O-NE2 3.45Å; P629-Q644 VanDerWaalsContact O-NE2 3.17Å; P629-V645 WeakPolarHBondContact CD-O 3.06Å
630	Q	91	Very high	86	Confident	92 Å²	92	57.9 Å²	57.9	43%	0.43	32%	0.318	S	S	.	.			trans	-113.8	95	169	-173.4	179.7	1.5	0	0	108.8	C619	C619-Q630 WeakPolarHBondContact O-CG 3.47Å; C619-Q630 PolarHBondContact O-NE2 2.97Å
631	P	91.2	Very high	85.9	Confident	13 Å²	13	59.4 Å²	59.4	8%	0.084	34%	0.338	C	S	.	.			trans	-68.7	145.6	-179.4	-21.5	33.1	0	0	0	113.7	Y617 C619 P629 K642 Q644	Y617-P631 HydrophobicContact CE2-CB 4.35Å; C619-P631 WeakPolarHBondContact CB-O 3.29Å; C619-P631 PolarHBondContact N-O 3.31Å; P629-P631 WeakPolarHBondContact O-CD 3.32Å; P631-K642 HydrophobicContact CB-CB 4.21Å; P631-K642 WeakPolarHBondContact CB-O 3.04Å; P631-K642 VanDerWaalsContact CG-O 3.26Å; P631-K642 WeakPolarHBondContact CG-O 3.38Å; P631-Q644 HydrophobicContact CG-CB 3.83Å; P631-Q644 HydrophobicContact CG-CG 4.41Å
632	F	91.6	Very high	85.9	Confident	145 Å²	145	60.2 Å²	60.2	64%	0.636	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.7	165.9	65.3	-86	0	0	0	109.6	Y617 K642	Y617-F632 WeakPolarHBondContact O-CA 3.11Å; F632-K642 PolarHBondContact O-NZ 2.78Å
633	G	89.8	Confident	86	Confident	9 Å²	9	63.3 Å²	63.3	9%	0.093	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	-176	-175.1	0	0	0	0	0	114.2	G616 Y617	G616-G633 CarbonylContact C-O 3.55Å; G616-G633 WeakPolarHBondContact CA-O 3.42Å; Y617-G633 PolarHBondContact N-O 2.64Å; Y617-G633 PolarHBondContact O-N 3.16Å; Y617-G633 VanDerWaalsContact O-N 3.08Å
634	R	90.6	Very high	86.5	Confident	136 Å²	136	63.7 Å²	63.7	51%	0.513	35%	0.346	S	S	.	.	S	Bend	trans	-141.3	129.8	173.1	-69.9	-177	172.5	154.1	1.4	109.7	P615 Q638	P615-R634 WeakPolarHBondContact O-CG 3.09Å; P615-R634 PolarHBondContact O-NE 2.87Å; R634-Q638 WeakPolarHBondContact O-CG 3.44Å; R634-Q638 PolarHBondContact O-NE2 3.38Å
635	G	85.8	Confident	87.1	Confident	8 Å²	8	64.8 Å²	64.8	8%	0.082	35%	0.35	C	S	.	.	S	Bend	trans	83.8	141.5	-174.3	0	0	0	0	0	112.5	E593 E637 Q638 A639	E593-G635 WeakPolarHBondContact OE1-CA 3.31Å; E593-G635 PolarHBondContact OE1-N 3.16Å; E593-G635 PolarHBondContact OE2-N 3.06Å; G635-E637 PolarHBondContact O-N 3.18Å; G635-Q638 PolarHBondContact O-N 3.02Å; G635-A639 PolarHBondContact O-N 2.65Å
636	V	86.1	Confident	87.5	Confident	49 Å²	49	63.9 Å²	63.9	30%	0.297	35%	0.348	S	S	.	.	H	α-helix	trans	-44.7	-38.1	173.5	177.3	0	0	0	0	112.9	I591 E593 E596 V597 Q638 A639 T640	I591-V636 HydrophobicContact CG2-CG2 3.94Å; E593-V636 HydrophobicContact CG-CG2 4.25Å; E596-V636 HydrophobicContact CB-CG2 3.96Å; E596-V636 HydrophobicContact CG-CG2 4.39Å; V597-V636 HydrophobicContact CG2-CB 4.49Å; V597-V636 HydrophobicContact CG2-CG1 3.68Å; V636-Q638 VanDerWaalsContact C-N 3.29Å; V636-Q638 PolarHBondContact O-N 3.45Å; V636-A639 PolarHBondContact O-N 3.5Å; V636-T640 WeakPolarHBondContact O-CB 3.41Å; V636-T640 PolarHBondContact O-N 3.34Å; V636-T640 PolarHBondContact O-OG1 2.03Å
637	E	86.2	Confident	87.6	Confident	164 Å²	164	66 Å²	66	77%	0.766	36%	0.364	S	S	*	.	H	α-helix	trans	-58.7	-36.5	176.4	-65.3	-178	176.3	0	0	113.1	G635 A641	G635-E637 PolarHBondContact O-N 3.18Å; E637-A641 VanDerWaalsContact O-CB 3.3Å; E637-A641 WeakPolarHBondContact O-CB 3.45Å; E637-A641 PolarHBondContact O-N 2.04Å
638	Q	88.1	Confident	87.6	Confident	67 Å²	67	66.7 Å²	66.7	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-79.6	-32	176.2	-64.4	-165	29.5	0	0	112.7	Y617 R634 G635 V636 A641 K642	Y617-Q638 PolarHBondContact OH-O 3.2Å; R634-Q638 WeakPolarHBondContact O-CG 3.44Å; R634-Q638 PolarHBondContact O-NE2 3.38Å; G635-Q638 PolarHBondContact O-N 3.02Å; V636-Q638 VanDerWaalsContact C-N 3.29Å; V636-Q638 PolarHBondContact O-N 3.45Å; Q638-A641 PolarHBondContact O-N 3.26Å; Q638-K642 WeakPolarHBondContact O-CB 3.2Å; Q638-K642 PolarHBondContact O-N 3.32Å
639	A	85.3	Confident	87.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-43.3	175.4	0	0	0	0	0	110.9	E593 V597 A600 Y617 G635 V636 A641	E593-A639 HydrophobicContact CB-CB 4.46Å; V597-A639 HydrophobicContact CB-CB 3.97Å; V597-A639 HydrophobicContact CG1-CB 4.33Å; V597-A639 HydrophobicContact CG2-CB 3.88Å; A600-A639 HydrophobicContact CB-CB 3.92Å; Y617-A639 HydrophobicContact CD1-CB 3.89Å; Y617-A639 VanDerWaalsContact CE1-CA 3.48Å; Y617-A639 HydrophobicContact CE1-CB 3.51Å; G635-A639 PolarHBondContact O-N 2.65Å; V636-A639 PolarHBondContact O-N 3.5Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 2.85Å
640	T	86	Confident	87.6	Confident	76 Å²	76	66.4 Å²	66.4	47%	0.466	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-33.8	175.3	-56.1	0	0	0	0	113.1	V636 K643	V636-T640 WeakPolarHBondContact O-CB 3.41Å; V636-T640 PolarHBondContact O-N 3.34Å; V636-T640 PolarHBondContact O-OG1 2.03Å; T640-K643 WeakPolarHBondContact O-CE 3.32Å
641	A	86.4	Confident	87.5	Confident	84 Å²	84	62.1 Å²	62.1	69%	0.694	32%	0.323	S	S	*	.	H	α-helix	trans	-90.3	-21.9	-175.4	0	0	0	0	0	115	E637 Q638 A639	E637-A641 VanDerWaalsContact O-CB 3.3Å; E637-A641 WeakPolarHBondContact O-CB 3.45Å; E637-A641 PolarHBondContact O-N 2.04Å; Q638-A641 PolarHBondContact O-N 3.26Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 2.85Å
642	K	87.6	Confident	87.3	Confident	88 Å²	88	62.8 Å²	62.8	38%	0.383	33%	0.328	S	S	.	.	S	Bend	trans	-118.7	60	-176.6	-60.1	172.2	174.2	169.3	0	111.2	P631 F632 Q638	P631-K642 HydrophobicContact CB-CB 4.21Å; P631-K642 WeakPolarHBondContact CB-O 3.04Å; P631-K642 VanDerWaalsContact CG-O 3.26Å; P631-K642 WeakPolarHBondContact CG-O 3.38Å; F632-K642 PolarHBondContact O-NZ 2.78Å; Q638-K642 WeakPolarHBondContact O-CB 3.2Å; Q638-K642 PolarHBondContact O-N 3.32Å
643	K	88.6	Confident	87.1	Confident	86 Å²	86	64.6 Å²	64.6	37%	0.374	34%	0.335	S	S	.	.			trans	-68.8	143.2	179.1	-61.1	-173.5	174.4	-176.7	0	111.6	D599 A600 T640	D599-K643 WeakPolarHBondContact O-CD 3.29Å; D599-K643 WeakPolarHBondContact O-CG 3.42Å; D599-K643 WeakPolarHBondContact OD1-CE 3.5Å; D599-K643 IonicContact OD1-NZ 2.67Å; D599-K643 PolarHBondContact OD1-NZ 2.92Å; D599-K643 IonicContact OD2-NZ 3.7Å; D599-K643 PolarHBondContact OD2-NZ 2.84Å; A600-K643 CarbonylContact O-C 3.57Å; A600-K643 WeakPolarHBondContact O-CA 2.92Å; T640-K643 WeakPolarHBondContact O-CE 3.32Å
644	Q	90.6	Very high	86.8	Confident	14 Å²	14	67.2 Å²	67.2	7%	0.065	35%	0.347	C	S	.	.			trans	-77.3	129.7	173.7	-171.5	168.7	38	0	0	110.4	A600 H602 L620 P629 P631	A600-Q644 PolarHBondContact O-N 2.86Å; H602-Q644 HydrophobicContact CB-CB 4.41Å; H602-Q644 HydrophobicContact CB-CG 4.08Å; L620-Q644 PolarHBondContact O-NE2 2.68Å; P629-Q644 WeakPolarHBondContact O-CG 3.43Å; P629-Q644 PolarHBondContact O-NE2 3.45Å; P629-Q644 VanDerWaalsContact O-NE2 3.17Å; P631-Q644 HydrophobicContact CG-CB 3.83Å; P631-Q644 HydrophobicContact CG-CG 4.41Å
645	V	88.7	Confident	86.5	Confident	94 Å²	94	63.2 Å²	63.2	57%	0.57	35%	0.348	S	S	*	.			trans	-119.3	112	171.8	-178.4	0	0	0	0	107.2	G628 P629 T647	G628-V645 WeakPolarHBondContact CA-O 3.43Å; P629-V645 WeakPolarHBondContact CD-O 3.06Å; V645-T647 HydrophobicContact CG1-CG2 4.38Å
646	C	86.3	Confident	86.5	Confident	13 Å²	13	65.2 Å²	65.2	9%	0.088	36%	0.361	C	S	.	.			trans	-102.2	113.7	174	-65	0	0	0	0	108.2	H602 C622 F626 S627	H602-C646 HydrophobicContact CB-CB 4.29Å; H602-C646 VanDerWaalsContact CB-SG 3.59Å; C622-C646 VanDerWaalsContact CA-SG 3.5Å; C622-C646 HydrophobicContact CB-CB 3.83Å; C622-C646 WeakPolarHBondContact CB-SG 2.99Å; C622-C646 VanDerWaalsContact SG-CA 3.57Å; C622-C646 WeakPolarHBondContact SG-CB 3.49Å; C622-C646 CovalentContact SG-SG 2.04Å; C622-C646 PolarHBondContact SG-SG 3.38Å; F626-C646 HydrophobicContact CB-CB 4.15Å; F626-C646 HydrophobicContact CD1-CB 4.28Å; S627-C646 CarbonylContact O-C 3.57Å; S627-C646 WeakPolarHBondContact O-CA 3.13Å
647	T	84.4	Confident	86.6	Confident	76 Å²	76	66.2 Å²	66.2	47%	0.466	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.4	174.3	44.6	0	0	0	0	110.1	S627 V645 R649	S627-T647 PolarHBondContact N-O 3.2Å; S627-T647 PolarHBondContact O-N 2.71Å; S627-T647 PolarHBondContact O-OG1 2.72Å; S627-T647 PolarHBondContact OG-O 2.93Å; V645-T647 HydrophobicContact CG1-CG2 4.38Å; T647-R649 PolarHBondContact O-N 2.93Å
648	P	83.7	Confident	86.8	Confident	62 Å²	62	62.6 Å²	62.6	40%	0.403	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	139.3	173.4	-19.4	28.7	0	0	0	111	F626 V670	F626-P648 HydrophobicContact CD1-CB 4.44Å; F626-P648 HydrophobicContact CD1-CG 4.16Å; F626-P648 HydrophobicContact CE1-CB 4.24Å; F626-P648 HydrophobicContact CE1-CG 3.67Å; F626-P648 HydrophobicContact CZ-CG 4.32Å; P648-V670 HydrophobicContact CB-CG1 4.17Å; P648-V670 HydrophobicContact CB-CG2 3.61Å; P648-V670 HydrophobicContact CG-CG2 4.11Å
649	R	84.3	Confident	87	Confident	102 Å²	102	60.4 Å²	60.4	39%	0.385	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-76.9	138.5	177.1	-173.5	179.7	174.4	-166.3	-8.6	109.4	R625 T647 D654 S656 Y667 M675	R625-R649 WeakPolarHBondContact O-CB 3.4Å; R625-R649 PolarHBondContact O-N 2.92Å; T647-R649 PolarHBondContact O-N 2.93Å; R649-D654 WeakPolarHBondContact CG-OD2 3.09Å; R649-S656 PolarHBondContact NH2-OG 3.15Å; R649-Y667 PolarHBondContact O-OH 2.9Å; R649-M675 HydrophobicContact CB-SD 4.36Å
650	N	87.3	Confident	87.3	Confident	16 Å²	16	62.9 Å²	62.9	9%	0.086	35%	0.351	C	S	.	.			trans	-131.1	94.3	177	-174.8	-60.2	0	0	0	108.9	C652 K653 D654 Y667	N650-C652 PolarHBondContact O-N 2.89Å; N650-C652 WeakPolarHBondContact OD1-CB 3.46Å; N650-C652 PolarHBondContact OD1-N 2.73Å; N650-K653 HydrophobicContact CB-CB 4.14Å; N650-K653 HydrophobicContact CB-CD 4.34Å; N650-K653 HydrophobicContact CB-CG 4.46Å; N650-K653 PolarHBondContact O-N 3.16Å; N650-K653 VanDerWaalsContact O-N 3.11Å; N650-K653 WeakPolarHBondContact OD1-CG 3.04Å; N650-K653 PolarHBondContact OD1-N 3.32Å; N650-D654 PolarHBondContact N-OD2 3.13Å; N650-D654 VanDerWaalsContact N-OD2 3.09Å; N650-D654 VanDerWaalsContact O-CB 3.29Å; N650-D654 WeakPolarHBondContact O-CB 3.46Å; N650-D654 VanDerWaalsContact O-CG 3.23Å; N650-D654 PolarHBondContact O-N 2.96Å; N650-D654 VanDerWaalsContact O-OD2 3.12Å; N650-Y667 HydrophobicContact CB-CD2 4.37Å; N650-Y667 HydrophobicContact CB-CE2 3.99Å; N650-Y667 VanDerWaalsContact ND2-CD1 3.26Å; N650-Y667 WeakPolarHBondContact ND2-CD1 3.16Å; N650-Y667 WeakPolarHBondContact ND2-CD2 3.37Å; N650-Y667 WeakPolarHBondContact ND2-CE1 3.23Å; N650-Y667 WeakPolarHBondContact ND2-CE2 3.09Å
651	P	88.6	Confident	87.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.013	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27	-172.8	-30.1	38.6	0	0	0	115	G655 S656 H657 M675 F676	P651-G655 PolarHBondContact O-N 2.79Å; P651-S656 PolarHBondContact O-N 2.96Å; P651-H657 HydrophobicContact CB-CB 4.42Å; P651-H657 PolarHBondContact O-CD2 2.62Å; P651-H657 PolarHBondContact O-N 2.03Å; P651-M675 HydrophobicContact CG-CB 4.14Å; P651-M675 HydrophobicContact CG-CE 4.39Å; P651-M675 HydrophobicContact CG-SD 4.38Å; P651-F676 HydrophobicContact CB-CD1 3.49Å; P651-F676 VanDerWaalsContact CB-CD1 3.49Å; P651-F676 HydrophobicContact CB-CE1 3.76Å; P651-F676 HydrophobicContact CB-CG 4.12Å; P651-F676 HydrophobicContact CG-CD1 3.68Å; P651-F676 HydrophobicContact CG-CE1 4.11Å
652	C	88.3	Confident	87.9	Confident	28 Å²	28	63.3 Å²	63.3	19%	0.189	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-56.5	174.3	-51.7	0	0	0	0	111.6	N650 D654 G655 C665	N650-C652 PolarHBondContact O-N 2.89Å; N650-C652 WeakPolarHBondContact OD1-CB 3.46Å; N650-C652 PolarHBondContact OD1-N 2.73Å; C652-D654 VanDerWaalsContact C-N 3.31Å; C652-D654 PolarHBondContact O-N 2.74Å; C652-G655 PolarHBondContact O-N 3.02Å; C652-C665 WeakPolarHBondContact CA-SG 3.23Å; C652-C665 HydrophobicContact CB-CB 3.61Å; C652-C665 WeakPolarHBondContact CB-SG 3.01Å; C652-C665 WeakPolarHBondContact SG-CB 3.09Å; C652-C665 PolarHBondContact SG-O 2.79Å; C652-C665 VanDerWaalsContact SG-O 3.32Å; C652-C665 CovalentContact SG-SG 2.04Å; C652-C665 PolarHBondContact SG-SG 3.09Å
653	K	87.2	Confident	88.1	Confident	183 Å²	183	59.4 Å²	59.4	80%	0.796	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.1	178.4	-67	175.4	-177.8	171.8	0	112.7	N650 G655	N650-K653 HydrophobicContact CB-CB 4.14Å; N650-K653 HydrophobicContact CB-CD 4.34Å; N650-K653 HydrophobicContact CB-CG 4.46Å; N650-K653 PolarHBondContact O-N 3.16Å; N650-K653 VanDerWaalsContact O-N 3.11Å; N650-K653 WeakPolarHBondContact OD1-CG 3.04Å; N650-K653 PolarHBondContact OD1-N 3.32Å; K653-G655 VanDerWaalsContact C-N 3.26Å; K653-G655 PolarHBondContact O-N 2.74Å
654	D	83.6	Confident	88.2	Confident	63 Å²	63	58.9 Å²	58.9	34%	0.337	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.6	178.9	-67.4	-36.9	0	0	0	113.6	R135 R649 N650 C652 S656	R135-D654 PolarHBondContact NH1-O 3.28Å; R649-D654 WeakPolarHBondContact CG-OD2 3.09Å; N650-D654 PolarHBondContact N-OD2 3.13Å; N650-D654 VanDerWaalsContact N-OD2 3.09Å; N650-D654 VanDerWaalsContact O-CB 3.29Å; N650-D654 WeakPolarHBondContact O-CB 3.46Å; N650-D654 VanDerWaalsContact O-CG 3.23Å; N650-D654 PolarHBondContact O-N 2.96Å; N650-D654 VanDerWaalsContact O-OD2 3.12Å; C652-D654 VanDerWaalsContact C-N 3.31Å; C652-D654 PolarHBondContact O-N 2.74Å; D654-S656 VanDerWaalsContact C-N 3.26Å; D654-S656 PolarHBondContact O-N 2.72Å
655	G	83.1	Confident	88.2	Confident	52 Å²	52	59.6 Å²	59.6	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	35.1	-173.7	0	0	0	0	0	113.1	P651 C652 K653	P651-G655 PolarHBondContact O-N 2.79Å; C652-G655 PolarHBondContact O-N 3.02Å; K653-G655 VanDerWaalsContact C-N 3.26Å; K653-G655 PolarHBondContact O-N 2.74Å
656	S	85.5	Confident	88.2	Confident	50 Å²	50	56.7 Å²	56.7	35%	0.35	31%	0.305	S	S	.	.			trans	-114	3.7	-179.3	70.2	0	0	0	0	114.4	R649 P651 D654	R649-S656 PolarHBondContact NH2-OG 3.15Å; P651-S656 PolarHBondContact O-N 2.96Å; D654-S656 VanDerWaalsContact C-N 3.26Å; D654-S656 PolarHBondContact O-N 2.72Å
657	H	89.9	Confident	88.2	Confident	70 Å²	70	59 Å²	59	32%	0.324	31%	0.312	S	S	.	.			trans	-67	164.4	168.4	69.3	107.4	0	0	0	112.6	P651 C659 C665 F676	P651-H657 HydrophobicContact CB-CB 4.42Å; P651-H657 PolarHBondContact O-CD2 2.62Å; P651-H657 PolarHBondContact O-N 2.03Å; H657-C659 PolarHBondContact ND1-SG 2.78Å; H657-C665 HydrophobicContact CB-CB 4.36Å; H657-C665 WeakPolarHBondContact CB-SG 3.03Å; H657-C665 VanDerWaalsContact CG-SG 3.55Å; H657-F676 HydrophobicContact CB-CD2 3.83Å; H657-F676 HydrophobicContact CB-CE2 3.5Å; H657-F676 HydrophobicContact CB-CG 4.47Å; H657-F676 HydrophobicContact CB-CZ 3.87Å
658	N	90.1	Very high	88.1	Confident	89 Å²	89	56.8 Å²	56.8	48%	0.476	30%	0.297	S	S	.	.			trans	-121.9	25	-179.5	66.1	-7.9	0	0	0	113.4	R689	N658-R689 PolarHBondContact OD1-NE 3.12Å; N658-R689 VanDerWaalsContact OD1-NE 3.16Å; N658-R689 PolarHBondContact OD1-NH2 3.22Å
659	C	91.3	Very high	87.8	Confident	20 Å²	20	55.1 Å²	55.1	14%	0.135	29%	0.291	C	S	.	.			trans	-66.5	158.8	176.1	-48.8	0	0	0	0	112	H657 A663 C678	H657-C659 PolarHBondContact ND1-SG 2.78Å; C659-A663 HydrophobicContact CB-CB 4.05Å; C659-C678 WeakPolarHBondContact CA-SG 3.41Å; C659-C678 HydrophobicContact CB-CB 3.6Å; C659-C678 WeakPolarHBondContact CB-SG 3.3Å; C659-C678 WeakPolarHBondContact SG-CB 3.35Å; C659-C678 CovalentContact SG-SG 2.04Å; C659-C678 PolarHBondContact SG-SG 3.09Å
660	H	92.5	Very high	87.4	Confident	52 Å²	52	51.3 Å²	51.3	24%	0.241	28%	0.279	C	S	.	.			trans	-64.8	155.5	175.4	-169.4	-135.8	0	0	0	111.6	N662 A663 G688 C691	H660-N662 PolarHBondContact O-N 3.07Å; H660-N662 VanDerWaalsContact O-N 3.16Å; H660-A663 HydrophobicContact CB-CB 3.97Å; H660-A663 WeakPolarHBondContact O-CB 3.46Å; H660-A663 PolarHBondContact O-N 3.3Å; H660-G688 WeakPolarHBondContact CB-O 3.46Å; H660-G688 PolarHBondContact N-O 2.89Å; H660-C691 PolarHBondContact CE1-O 2.9Å; H660-C691 VanDerWaalsContact CE1-O 3.3Å; H660-C691 WeakPolarHBondContact ND1-CB 3.39Å; H660-C691 PolarHBondContact ND1-N 2.9Å
661	K	91.1	Very high	86.8	Confident	146 Å²	146	55.6 Å²	55.6	64%	0.635	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.4	173.8	55.8	159.9	-167.7	96.7	0	113.2	A663 K681	K661-A663 VanDerWaalsContact C-N 3.32Å; K661-K681 PolarHBondContact O-NZ 2.04Å
662	N	92.2	Very high	86.1	Confident	23 Å²	23	55.8 Å²	55.8	12%	0.123	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	23.1	179	-61.2	4.2	0	0	0	111.6	H660 K681 Y684 C691	H660-N662 PolarHBondContact O-N 3.07Å; H660-N662 VanDerWaalsContact O-N 3.16Å; N662-K681 WeakPolarHBondContact O-CB 3.46Å; N662-K681 PolarHBondContact O-N 2.78Å; N662-Y684 HydrophobicContact CB-CD1 4Å; N662-Y684 HydrophobicContact CB-CD2 3.85Å; N662-Y684 HydrophobicContact CB-CE1 4.29Å; N662-Y684 HydrophobicContact CB-CE2 4.08Å; N662-Y684 HydrophobicContact CB-CG 3.82Å; N662-Y684 VanDerWaalsContact ND2-CD1 3.33Å; N662-Y684 WeakPolarHBondContact ND2-CD1 3.32Å; N662-Y684 WeakPolarHBondContact ND2-CE1 3.36Å; N662-Y684 PolarHBondContact ND2-OH 3.4Å; N662-C691 HydrophobicContact CB-CB 4.5Å
663	A	92.2	Very high	85.2	Confident	6 Å²	6	60.4 Å²	60.4	5%	0.05	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.6	174.1	0	0	0	0	0	111	C659 H660 K661 E679 K681 G688	C659-A663 HydrophobicContact CB-CB 4.05Å; H660-A663 HydrophobicContact CB-CB 3.97Å; H660-A663 WeakPolarHBondContact O-CB 3.46Å; H660-A663 PolarHBondContact O-N 3.3Å; K661-A663 VanDerWaalsContact C-N 3.32Å; A663-E679 CarbonylContact C-O 2.89Å; A663-E679 WeakPolarHBondContact CA-O 3.41Å; A663-E679 WeakPolarHBondContact CB-O 3.36Å; A663-K681 WeakPolarHBondContact O-CE 3.41Å; A663-K681 PolarHBondContact O-NZ 3.14Å; A663-G688 WeakPolarHBondContact CB-O 3.33Å
664	N	91.3	Very high	84.8	Confident	76 Å²	76	52.6 Å²	52.6	41%	0.406	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	153.7	163.4	-68.3	-25.7	0	0	0	109.3	E679 K681	N664-E679 PolarHBondContact N-O 3.12Å; N664-E679 PolarHBondContact O-N 2.78Å; N664-K681 WeakPolarHBondContact OD1-CE 3.27Å; N664-K681 WeakPolarHBondContact OD1-CG 3.29Å
665	C	91.6	Very high	84.7	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.8	167.6	-176.5	0	0	0	0	107	C652 H657 F676	C652-C665 WeakPolarHBondContact CA-SG 3.23Å; C652-C665 HydrophobicContact CB-CB 3.61Å; C652-C665 WeakPolarHBondContact CB-SG 3.01Å; C652-C665 WeakPolarHBondContact SG-CB 3.09Å; C652-C665 PolarHBondContact SG-O 2.79Å; C652-C665 VanDerWaalsContact SG-O 3.32Å; C652-C665 CovalentContact SG-SG 2.04Å; C652-C665 PolarHBondContact SG-SG 3.09Å; H657-C665 HydrophobicContact CB-CB 4.36Å; H657-C665 WeakPolarHBondContact CB-SG 3.03Å; H657-C665 VanDerWaalsContact CG-SG 3.55Å; C665-F676 VanDerWaalsContact SG-CD2 3.54Å
666	I	87.7	Confident	84.9	Confident	33 Å²	33	50.5 Å²	50.5	17%	0.169	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	-177.7	-63.8	175.7	0	0	0	107.3	L668 F676 R677 E679	I666-L668 HydrophobicContact CG2-CD2 4.14Å; I666-F676 CarbonylContact O-C 3.58Å; I666-F676 WeakPolarHBondContact O-CA 3.49Å; I666-F676 VanDerWaalsContact O-CB 3.3Å; I666-F676 WeakPolarHBondContact O-CB 3.49Å; I666-R677 HydrophobicContact CB-CG 4.12Å; I666-R677 HydrophobicContact CG2-CG 4.36Å; I666-R677 PolarHBondContact N-O 2.81Å; I666-R677 PolarHBondContact O-N 3.11Å; I666-E679 HydrophobicContact CD1-CB 3.71Å; I666-E679 VanDerWaalsContact CD1-OE2 3.23Å; I666-E679 WeakPolarHBondContact CD1-OE2 2.97Å
667	Y	87.1	Confident	85	Confident	62 Å²	62	50.4 Å²	50.4	24%	0.243	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.8	179.4	-173.3	-118.8	0	0	0	109.8	R649 N650 G669 M675 R1170	R649-Y667 PolarHBondContact O-OH 2.9Å; N650-Y667 HydrophobicContact CB-CD2 4.37Å; N650-Y667 HydrophobicContact CB-CE2 3.99Å; N650-Y667 VanDerWaalsContact ND2-CD1 3.26Å; N650-Y667 WeakPolarHBondContact ND2-CD1 3.16Å; N650-Y667 WeakPolarHBondContact ND2-CD2 3.37Å; N650-Y667 WeakPolarHBondContact ND2-CE1 3.23Å; N650-Y667 WeakPolarHBondContact ND2-CE2 3.09Å; Y667-G669 VanDerWaalsContact CE1-CA 3.49Å; Y667-G669 VanDerWaalsContact CE2-O 3.22Å; Y667-G669 WeakPolarHBondContact CE2-O 3.28Å; Y667-G669 PolarHBondContact OH-O 2.91Å; Y667-M675 WeakPolarHBondContact CD2-O 3.01Å; Y667-M675 HydrophobicContact CE2-CB 4.42Å; Y667-M675 WeakPolarHBondContact CE2-O 3.27Å; Y667-R1170 PolarHBondContact O-NH1 3.33Å
668	L	81.3	Confident	85	Confident	29 Å²	29	48 Å²	48	15%	0.152	24%	0.241	C	C	.	.			trans	-106.7	26.9	-179.9	-56.6	-178.2	0	0	0	111.6	I666 S672 M675 R677 I944	I666-L668 HydrophobicContact CG2-CD2 4.14Å; L668-S672 VanDerWaalsContact O-CB 3.23Å; L668-S672 WeakPolarHBondContact O-CB 3.11Å; L668-M675 PolarHBondContact N-O 3.3Å; L668-M675 VanDerWaalsContact N-O 3.14Å; L668-R677 HydrophobicContact CD1-CB 4.07Å; L668-R677 HydrophobicContact CD1-CG 4Å; L668-R677 HydrophobicContact CD2-CG 4.12Å; L668-R677 HydrophobicContact CG-CG 4.26Å; L668-I944 HydrophobicContact CD1-CG1 4.33Å
669	G	77.4	Confident	85	Confident	27 Å²	27	46.5 Å²	46.5	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-170.2	-179	0	0	0	0	0	114.3	Y667	Y667-G669 VanDerWaalsContact CE1-CA 3.49Å; Y667-G669 VanDerWaalsContact CE2-O 3.22Å; Y667-G669 WeakPolarHBondContact CE2-O 3.28Å; Y667-G669 PolarHBondContact OH-O 2.91Å
670	V	77.2	Confident	85.1	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-43.3	-179	-170	0	0	0	0	110.7	R625 F626 P648	R625-V670 HydrophobicContact CB-CG1 3.89Å; R625-V670 WeakPolarHBondContact CD-O 3.42Å; R625-V670 PolarHBondContact NH1-O 2.91Å; F626-V670 HydrophobicContact CE2-CG1 4.05Å; F626-V670 HydrophobicContact CZ-CG1 4.25Å; P648-V670 HydrophobicContact CB-CG1 4.17Å; P648-V670 HydrophobicContact CB-CG2 3.61Å; P648-V670 HydrophobicContact CG-CG2 4.11Å
671	Y	74.1	Confident	85.1	Confident	106 Å²	106	47.6 Å²	47.6	42%	0.416	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-25.6	-160.7	-57.3	-58.2	0	0	0	114.6	R625 E673	R625-Y671 VanDerWaalsContact CZ-O 3.31Å; R625-Y671 PolarHBondContact NH1-O 2.8Å; R625-Y671 PolarHBondContact NH2-O 3.4Å; R625-Y671 VanDerWaalsContact NH2-O 3.14Å; Y671-E673 PolarHBondContact O-N 3.2Å
672	S	73	Confident	85.2	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.035	22%	0.215	C	C	.	.	S	Bend	trans	-53.3	135	170.9	-175	0	0	0	0	112.1	R625 L668 S674 D943	R625-S672 PolarHBondContact NH1-O 2.87Å; L668-S672 VanDerWaalsContact O-CB 3.23Å; L668-S672 WeakPolarHBondContact O-CB 3.11Å; S672-S674 CarbonylContact O-C 3.58Å; S672-S674 PolarHBondContact O-N 2.91Å; S672-S674 VanDerWaalsContact O-N 3.12Å; S672-D943 WeakPolarHBondContact CA-OD2 3.49Å; S672-D943 WeakPolarHBondContact CB-OD2 3.17Å; S672-D943 WeakPolarHBondContact OG-CB 3.46Å; S672-D943 PolarHBondContact OG-OD2 3.17Å
673	E	70.3	Confident	85.3	Confident	125 Å²	125	41.2 Å²	41.2	58%	0.584	21%	0.209	S	C	*	.	S	Bend	trans	-39.7	-54.7	178.1	-167.7	-73.6	152.3	0	0	110.8	Y671	Y671-E673 PolarHBondContact O-N 3.2Å
674	S	78.8	Confident	85.4	Confident	20 Å²	20	42.2 Å²	42.2	14%	0.14	21%	0.212	C	C	.	.	S	Bend	trans	-95.4	97.5	175.2	86.1	0	0	0	0	110.5	S672 F676 I944	S672-S674 CarbonylContact O-C 3.58Å; S672-S674 PolarHBondContact O-N 2.91Å; S672-S674 VanDerWaalsContact O-N 3.12Å; S674-F676 PolarHBondContact O-N 2.88Å; S674-I944 WeakPolarHBondContact OG-CD1 3.37Å
675	M	81.2	Confident	85.5	Confident	35 Å²	35	38.8 Å²	38.8	17%	0.172	19%	0.194	C	C	.	.	S	Bend	trans	-51.4	-15.7	175.1	-71.2	173.1	-79.2	0	0	114.6	R625 R649 P651 Y667 L668	R625-M675 HydrophobicContact CB-SD 4.4Å; R625-M675 HydrophobicContact CG-SD 4.39Å; R649-M675 HydrophobicContact CB-SD 4.36Å; P651-M675 HydrophobicContact CG-CB 4.14Å; P651-M675 HydrophobicContact CG-CE 4.39Å; P651-M675 HydrophobicContact CG-SD 4.38Å; Y667-M675 WeakPolarHBondContact CD2-O 3.01Å; Y667-M675 HydrophobicContact CE2-CB 4.42Å; Y667-M675 WeakPolarHBondContact CE2-O 3.27Å; L668-M675 PolarHBondContact N-O 3.3Å; L668-M675 VanDerWaalsContact N-O 3.14Å
676	F	87	Confident	85.5	Confident	35 Å²	35	37.9 Å²	37.9	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	143	173.7	72.7	-74	0	0	0	112	P651 H657 C665 I666 S674	P651-F676 HydrophobicContact CB-CD1 3.49Å; P651-F676 VanDerWaalsContact CB-CD1 3.49Å; P651-F676 HydrophobicContact CB-CE1 3.76Å; P651-F676 HydrophobicContact CB-CG 4.12Å; P651-F676 HydrophobicContact CG-CD1 3.68Å; P651-F676 HydrophobicContact CG-CE1 4.11Å; H657-F676 HydrophobicContact CB-CD2 3.83Å; H657-F676 HydrophobicContact CB-CE2 3.5Å; H657-F676 HydrophobicContact CB-CG 4.47Å; H657-F676 HydrophobicContact CB-CZ 3.87Å; C665-F676 VanDerWaalsContact SG-CD2 3.54Å; I666-F676 CarbonylContact O-C 3.58Å; I666-F676 WeakPolarHBondContact O-CA 3.49Å; I666-F676 VanDerWaalsContact O-CB 3.3Å; I666-F676 WeakPolarHBondContact O-CB 3.49Å; S674-F676 PolarHBondContact O-N 2.88Å
677	R	88.3	Confident	85.5	Confident	48 Å²	48	39 Å²	39	18%	0.181	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	167	159.6	67.3	-176.6	177.3	74.8	12.4	111.2	I666 L668 E679 I944 E1168	I666-R677 HydrophobicContact CB-CG 4.12Å; I666-R677 HydrophobicContact CG2-CG 4.36Å; I666-R677 PolarHBondContact N-O 2.81Å; I666-R677 PolarHBondContact O-N 3.11Å; L668-R677 HydrophobicContact CD1-CB 4.07Å; L668-R677 HydrophobicContact CD1-CG 4Å; L668-R677 HydrophobicContact CD2-CG 4.12Å; L668-R677 HydrophobicContact CG-CG 4.26Å; R677-E679 IonicContact CZ-OE2 3.65Å; R677-E679 IonicContact NH1-OE2 3.39Å; R677-E679 PolarHBondContact NH1-OE2 2.87Å; R677-E679 IonicContact NH2-OE2 3.62Å; R677-I944 HydrophobicContact CB-CG1 4.32Å; R677-E1168 IonicContact CZ-OE1 3.85Å; R677-E1168 IonicContact NH2-OE1 3.69Å; R677-E1168 PolarHBondContact NH2-OE1 2.64Å; R677-E1168 IonicContact NH2-OE2 3.73Å; R677-E1168 PolarHBondContact NH2-OE2 2.83Å
678	C	89.8	Confident	85.6	Confident	21 Å²	21	36 Å²	36	14%	0.142	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.1	177.3	-61.1	0	0	0	0	108.4	C659 G688	C659-C678 WeakPolarHBondContact CA-SG 3.41Å; C659-C678 HydrophobicContact CB-CB 3.6Å; C659-C678 WeakPolarHBondContact CB-SG 3.3Å; C659-C678 WeakPolarHBondContact SG-CB 3.35Å; C659-C678 CovalentContact SG-SG 2.04Å; C659-C678 PolarHBondContact SG-SG 3.09Å; C678-G688 WeakPolarHBondContact O-CA 3.47Å
679	E	90.4	Very high	86	Confident	56 Å²	56	41.4 Å²	41.4	26%	0.262	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.1	179.8	-169.4	177.3	137.6	0	0	109.7	A663 N664 I666 R677	A663-E679 CarbonylContact C-O 2.89Å; A663-E679 WeakPolarHBondContact CA-O 3.41Å; A663-E679 WeakPolarHBondContact CB-O 3.36Å; N664-E679 PolarHBondContact N-O 3.12Å; N664-E679 PolarHBondContact O-N 2.78Å; I666-E679 HydrophobicContact CD1-CB 3.71Å; I666-E679 VanDerWaalsContact CD1-OE2 3.23Å; I666-E679 WeakPolarHBondContact CD1-OE2 2.97Å; R677-E679 IonicContact CZ-OE2 3.65Å; R677-E679 IonicContact NH1-OE2 3.39Å; R677-E679 PolarHBondContact NH1-OE2 2.87Å; R677-E679 IonicContact NH2-OE2 3.62Å
680	C	92.4	Very high	86.6	Confident	15 Å²	15	42.8 Å²	42.8	10%	0.101	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.5	-178.6	-61.4	0	0	0	0	111.3	Y684 G686 G688 C691	C680-Y684 WeakPolarHBondContact CB-O 3.39Å; C680-G686 VanDerWaalsContact SG-C 3.54Å; C680-G686 PolarHBondContact SG-O 3.38Å; C680-G688 PolarHBondContact SG-N 3.05Å; C680-C691 HydrophobicContact CB-CB 3.77Å; C680-C691 WeakPolarHBondContact CB-SG 3.17Å; C680-C691 WeakPolarHBondContact SG-CB 3.25Å; C680-C691 CovalentContact SG-SG 2.03Å; C680-C691 PolarHBondContact SG-SG 3.38Å
681	K	93.4	Very high	87.3	Confident	80 Å²	80	42.3 Å²	42.3	35%	0.348	20%	0.201	S	C	.	.			trans	-75.4	151.3	-179.9	-71.9	167.6	177.5	159.8	0	110	K661 N662 A663 N664 G683 Y684	K661-K681 PolarHBondContact O-NZ 2.04Å; N662-K681 WeakPolarHBondContact O-CB 3.46Å; N662-K681 PolarHBondContact O-N 2.78Å; A663-K681 WeakPolarHBondContact O-CE 3.41Å; A663-K681 PolarHBondContact O-NZ 3.14Å; N664-K681 WeakPolarHBondContact OD1-CE 3.27Å; N664-K681 WeakPolarHBondContact OD1-CG 3.29Å; K681-G683 PolarHBondContact O-N 2.68Å; K681-Y684 HydrophobicContact CB-CD2 4.45Å; K681-Y684 WeakPolarHBondContact O-CA 3.13Å; K681-Y684 VanDerWaalsContact O-CB 3.27Å; K681-Y684 WeakPolarHBondContact O-CB 3.31Å; K681-Y684 PolarHBondContact O-N 3.32Å
682	P	93.6	Very high	88.2	Confident	34 Å²	34	37.7 Å²	37.7	22%	0.221	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	132.5	176.8	-31.3	36.1	0	0	0	113.6	R1111 Y1128 K1131	P682-R1111 HydrophobicContact CB-CB 4.24Å; P682-R1111 HydrophobicContact CB-CG 4.42Å; P682-R1111 HydrophobicContact CG-CG 4.28Å; P682-Y1128 HydrophobicContact CB-CD1 4.09Å; P682-Y1128 HydrophobicContact CB-CD2 4.42Å; P682-Y1128 HydrophobicContact CB-CG 4.03Å; P682-Y1128 HydrophobicContact CG-CD1 4.21Å; P682-Y1128 HydrophobicContact CG-CD2 4.12Å; P682-Y1128 HydrophobicContact CG-CE1 4.22Å; P682-Y1128 HydrophobicContact CG-CE2 4.16Å; P682-Y1128 HydrophobicContact CG-CG 4.17Å; P682-K1131 WeakPolarHBondContact O-CA 3.3Å; P682-K1131 WeakPolarHBondContact O-CG 3.06Å
683	G	93.1	Very high	89.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	18.2	-169.6	0	0	0	0	0	114.1	K681 D694 K1131	K681-G683 PolarHBondContact O-N 2.68Å; G683-D694 CarbonylContact C-O 3.55Å; G683-D694 WeakPolarHBondContact CA-O 3.41Å; G683-D694 PolarHBondContact O-N 3.2Å; G683-K1131 WeakPolarHBondContact O-CE 3.26Å
684	Y	94.7	Very high	90.5	Very high	28 Å²	28	36.8 Å²	36.8	11%	0.11	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	129.7	170.1	-63.1	-80.8	0	0	0	110.6	N662 C680 K681 G692 E693 K1131	N662-Y684 HydrophobicContact CB-CD1 4Å; N662-Y684 HydrophobicContact CB-CD2 3.85Å; N662-Y684 HydrophobicContact CB-CE1 4.29Å; N662-Y684 HydrophobicContact CB-CE2 4.08Å; N662-Y684 HydrophobicContact CB-CG 3.82Å; N662-Y684 VanDerWaalsContact ND2-CD1 3.33Å; N662-Y684 WeakPolarHBondContact ND2-CD1 3.32Å; N662-Y684 WeakPolarHBondContact ND2-CE1 3.36Å; N662-Y684 PolarHBondContact ND2-OH 3.4Å; C680-Y684 WeakPolarHBondContact CB-O 3.39Å; K681-Y684 HydrophobicContact CB-CD2 4.45Å; K681-Y684 WeakPolarHBondContact O-CA 3.13Å; K681-Y684 VanDerWaalsContact O-CB 3.27Å; K681-Y684 WeakPolarHBondContact O-CB 3.31Å; K681-Y684 PolarHBondContact O-N 3.32Å; Y684-G692 WeakPolarHBondContact CA-O 3.37Å; Y684-G692 WeakPolarHBondContact CB-O 3.33Å; Y684-G692 VanDerWaalsContact CD1-O 3.25Å; Y684-G692 WeakPolarHBondContact CD1-O 3.45Å; Y684-E693 HydrophobicContact CE1-CG 4.37Å; Y684-E693 WeakPolarHBondContact CE1-OE1 3.44Å; Y684-E693 PolarHBondContact OH-OE1 2.84Å; Y684-K1131 HydrophobicContact CD2-CG 4.44Å; Y684-K1131 HydrophobicContact CE2-CD 3.66Å; Y684-K1131 HydrophobicContact CE2-CG 3.94Å; Y684-K1131 VanDerWaalsContact CZ-CE 3.48Å
685	A	93.9	Very high	91.2	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	154.5	175.3	0	0	0	0	0	111.6	C691 G692 D694 G699 P701 L705	A685-C691 CarbonylContact O-C 3.6Å; A685-C691 WeakPolarHBondContact O-CA 3.34Å; A685-G692 PolarHBondContact N-O 3.07Å; A685-G692 VanDerWaalsContact N-O 3.13Å; A685-G692 PolarHBondContact O-N 3.34Å; A685-D694 HydrophobicContact CB-CB 3.76Å; A685-G699 VanDerWaalsContact CB-C 3.45Å; A685-G699 WeakPolarHBondContact CB-O 3.43Å; A685-P701 HydrophobicContact CB-CB 3.97Å; A685-P701 HydrophobicContact CB-CG 4.33Å; A685-L705 WeakPolarHBondContact O-CD1 3.12Å
686	G	91.1	Very high	91.9	Very high	11 Å²	11	37.3 Å²	37.3	11%	0.113	19%	0.188	C	C	.	.	S	Bend	trans	143.4	177.5	-179	0	0	0	0	0	114.7	C680 G688 I690 H714	C680-G686 VanDerWaalsContact SG-C 3.54Å; C680-G686 PolarHBondContact SG-O 3.38Å; G686-G688 PolarHBondContact O-N 2.9Å; G686-I690 CarbonylContact C-O 3.58Å; G686-I690 WeakPolarHBondContact CA-O 3.42Å; G686-H714 WeakPolarHBondContact CA-O 3.32Å; G686-H714 PolarHBondContact N-O 3.11Å
687	N	87.7	Confident	92.4	Very high	56 Å²	56	35.8 Å²	35.8	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	-78.4	25.2	-178.4	77.2	-7.3	0	0	0	114.7	R689 I690	N687-R689 PolarHBondContact O-N 2.91Å; N687-R689 PolarHBondContact OD1-N 2.94Å; N687-I690 PolarHBondContact N-O 3.07Å; N687-I690 PolarHBondContact OD1-N 3.48Å
688	G	89.2	Confident	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	66.5	-23	-178.7	0	0	0	0	0	116.6	H660 A663 C678 C680 G686	H660-G688 WeakPolarHBondContact CB-O 3.46Å; H660-G688 PolarHBondContact N-O 2.89Å; A663-G688 WeakPolarHBondContact CB-O 3.33Å; C678-G688 WeakPolarHBondContact O-CA 3.47Å; C680-G688 PolarHBondContact SG-N 3.05Å; G686-G688 PolarHBondContact O-N 2.9Å
689	R	88.5	Confident	92.9	Very high	141 Å²	141	33 Å²	33	53%	0.532	17%	0.171	S	C	.	.	S	Bend	trans	-93	-27.3	173.2	-66.6	-174.4	175.8	170.5	5.9	111.9	N658 N687	N658-R689 PolarHBondContact OD1-NE 3.12Å; N658-R689 VanDerWaalsContact OD1-NE 3.16Å; N658-R689 PolarHBondContact OD1-NH2 3.22Å; N687-R689 PolarHBondContact O-N 2.91Å; N687-R689 PolarHBondContact OD1-N 2.94Å
690	I	90.1	Very high	93.1	Very high	56 Å²	56	31.5 Å²	31.5	29%	0.287	16%	0.163	S	C	.	.	S	Bend	trans	-126.9	129.3	165.6	-58.6	174.7	0	0	0	106	G686 N687 L705 P706 C707	G686-I690 CarbonylContact C-O 3.58Å; G686-I690 WeakPolarHBondContact CA-O 3.42Å; N687-I690 PolarHBondContact N-O 3.07Å; N687-I690 PolarHBondContact OD1-N 3.48Å; I690-L705 HydrophobicContact CG2-CB 4.31Å; I690-P706 HydrophobicContact CD1-CG 4.48Å; I690-P706 VanDerWaalsContact CD1-O 3.27Å; I690-P706 WeakPolarHBondContact CD1-O 3.3Å; I690-C707 HydrophobicContact CD1-CB 4.28Å
691	C	92.5	Very high	93.2	Very high	12 Å²	12	30.8 Å²	30.8	8%	0.081	16%	0.158	C	C	.	.			trans	-129.2	130.4	170.1	-46.4	0	0	0	0	110.7	H660 N662 C680 A685	H660-C691 PolarHBondContact CE1-O 2.9Å; H660-C691 VanDerWaalsContact CE1-O 3.3Å; H660-C691 WeakPolarHBondContact ND1-CB 3.39Å; H660-C691 PolarHBondContact ND1-N 2.9Å; N662-C691 HydrophobicContact CB-CB 4.5Å; C680-C691 HydrophobicContact CB-CB 3.77Å; C680-C691 WeakPolarHBondContact CB-SG 3.17Å; C680-C691 WeakPolarHBondContact SG-CB 3.25Å; C680-C691 CovalentContact SG-SG 2.03Å; C680-C691 PolarHBondContact SG-SG 3.38Å; A685-C691 CarbonylContact O-C 3.6Å; A685-C691 WeakPolarHBondContact O-CA 3.34Å
692	G	92.7	Very high	93.2	Very high	10 Å²	10	29.2 Å²	29.2	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	172.8	169.7	0	0	0	0	0	111.9	Y684 A685 L705	Y684-G692 WeakPolarHBondContact CA-O 3.37Å; Y684-G692 WeakPolarHBondContact CB-O 3.33Å; Y684-G692 VanDerWaalsContact CD1-O 3.25Å; Y684-G692 WeakPolarHBondContact CD1-O 3.45Å; A685-G692 PolarHBondContact N-O 3.07Å; A685-G692 VanDerWaalsContact N-O 3.13Å; A685-G692 PolarHBondContact O-N 3.34Å; G692-L705 VanDerWaalsContact N-CD1 3.32Å
693	E	95.2	Very high	93.2	Very high	99 Å²	99	31.7 Å²	31.7	46%	0.463	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.7	173.5	-61.4	-98.6	125.1	0	0	109.9	Y684 P701 N702 K1131	Y684-E693 HydrophobicContact CE1-CG 4.37Å; Y684-E693 WeakPolarHBondContact CE1-OE1 3.44Å; Y684-E693 PolarHBondContact OH-OE1 2.84Å; E693-P701 WeakPolarHBondContact O-CA 3.1Å; E693-N702 PolarHBondContact O-N 2.66Å; E693-N702 PolarHBondContact O-ND2 3.22Å; E693-K1131 IonicContact OE1-NZ 3.15Å; E693-K1131 PolarHBondContact OE1-NZ 3.37Å; E693-K1131 IonicContact OE2-NZ 3.33Å; E693-K1131 PolarHBondContact OE2-NZ 2.83Å
694	D	96.4	Very high	93.1	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.059	19%	0.194	C	C	.	.			trans	-130.3	132.1	178.3	151	13.1	0	0	0	105.1	G683 A685 D696 L697 N702	G683-D694 CarbonylContact C-O 3.55Å; G683-D694 WeakPolarHBondContact CA-O 3.41Å; G683-D694 PolarHBondContact O-N 3.2Å; A685-D694 HydrophobicContact CB-CB 3.76Å; D694-D696 PolarHBondContact OD1-N 2.83Å; D694-L697 WeakPolarHBondContact OD1-CA 3.37Å; D694-L697 PolarHBondContact OD1-N 2.92Å; D694-N702 VanDerWaalsContact CA-ND2 3.34Å; D694-N702 WeakPolarHBondContact CA-ND2 3.14Å
695	S	94.3	Very high	92.9	Very high	64 Å²	64	36.6 Å²	36.6	45%	0.448	20%	0.196	S	C	.	.	S	Bend	trans	-104.7	-35.4	-163.6	-73	0	0	0	0	112.8	N702	S695-N702 PolarHBondContact N-ND2 2.99Å; S695-N702 VanDerWaalsContact OG-CG 3.3Å; S695-N702 PolarHBondContact OG-ND2 3.38Å; S695-N702 PolarHBondContact OG-OD1 2.71Å
696	D	95.9	Very high	92.5	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.229	C	C	.	.	S	Bend	trans	-120.5	-5.2	-165.1	29.7	5.8	0	0	0	112.2	D694 D698 P721 N722 L723 P724 T1013 A1109	D694-D696 PolarHBondContact OD1-N 2.83Å; D696-D698 VanDerWaalsContact C-N 3.34Å; D696-D698 PolarHBondContact O-N 2.94Å; D696-P721 WeakPolarHBondContact OD2-CA 3.34Å; D696-N722 VanDerWaalsContact OD2-C 3.24Å; D696-N722 WeakPolarHBondContact OD2-CA 3.42Å; D696-N722 PolarHBondContact OD2-N 3.41Å; D696-L723 PolarHBondContact OD2-N 2.88Å; D696-P724 HydrophobicContact CB-CG 4.11Å; D696-P724 WeakPolarHBondContact O-CG 3.29Å; D696-T1013 VanDerWaalsContact O-CG2 3.25Å; D696-T1013 WeakPolarHBondContact O-CG2 3.18Å; D696-A1109 HydrophobicContact CB-CB 4.4Å; D696-A1109 WeakPolarHBondContact O-CB 3.3Å
697	L	96.8	Very high	91.9	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.232	C	C	.	.	S	Bend	trans	74.3	18.1	165.3	-43.9	174.7	0	0	0	114.4	D694 G699 T1013 A1109 R1111	D694-L697 WeakPolarHBondContact OD1-CA 3.37Å; D694-L697 PolarHBondContact OD1-N 2.92Å; L697-G699 PolarHBondContact O-N 2.93Å; L697-T1013 HydrophobicContact CB-CG2 3.85Å; L697-T1013 WeakPolarHBondContact CB-OG1 3.25Å; L697-T1013 WeakPolarHBondContact O-CB 3.34Å; L697-T1013 PolarHBondContact O-OG1 3.2Å; L697-A1109 HydrophobicContact CB-CB 4.48Å; L697-A1109 HydrophobicContact CD1-CB 3.94Å; L697-A1109 HydrophobicContact CG-CB 3.96Å; L697-R1111 HydrophobicContact CD1-CB 4Å; L697-R1111 PolarHBondContact O-NH1 2.7Å
698	D	95.5	Very high	90.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-78.8	-3.5	178.7	89.2	-37	0	0	0	113.1	D696 W700 P724 S726 D1164	D696-D698 VanDerWaalsContact C-N 3.34Å; D696-D698 PolarHBondContact O-N 2.94Å; D698-W700 PolarHBondContact OD1-N 2.98Å; D698-P724 HydrophobicContact CB-CB 3.95Å; D698-S726 WeakPolarHBondContact O-CB 3.19Å; D698-S726 WeakPolarHBondContact OD2-CA 3.36Å; D698-D1164 VanDerWaalsContact O-CB 3.31Å; D698-D1164 WeakPolarHBondContact O-CB 3.14Å
699	G	93.5	Very high	88.8	Confident	9 Å²	9	54.1 Å²	54.1	9%	0.093	29%	0.292	C	S	.	.	S	Bend	trans	88.4	5.1	-179.5	0	0	0	0	0	115.1	A685 L697 H714	A685-G699 VanDerWaalsContact CB-C 3.45Å; A685-G699 WeakPolarHBondContact CB-O 3.43Å; L697-G699 PolarHBondContact O-N 2.93Å; G699-H714 VanDerWaalsContact O-CB 3.25Å; G699-H714 WeakPolarHBondContact O-CB 3.25Å; G699-H714 VanDerWaalsContact O-CG 3.27Å; G699-H714 PolarHBondContact O-ND1 3.01Å
700	W	94.6	Very high	86.8	Confident	26 Å²	26	54.5 Å²	54.5	10%	0.098	30%	0.304	C	S	.	.			trans	-108.2	142.4	174.3	-65.9	89.7	0	0	0	112.4	D698 Y713 K716 D718 S726 Q728	D698-W700 PolarHBondContact OD1-N 2.98Å; W700-Y713 HydrophobicContact CH2-CD1 4.05Å; W700-Y713 AromaticContact CZ2-CD1 4Å; W700-Y713 HydrophobicContact CZ2-CD1 4Å; W700-K716 HydrophobicContact CE3-CB 4.3Å; W700-K716 HydrophobicContact CZ3-CB 4.04Å; W700-K716 HydrophobicContact CZ3-CG 4.35Å; W700-D718 HydrophobicContact CB-CB 3.4Å; W700-D718 VanDerWaalsContact CB-CB 3.4Å; W700-S726 PolarHBondContact NE1-O 2.7Å; W700-Q728 HydrophobicContact CD2-CG 3.52Å; W700-Q728 HydrophobicContact CE3-CG 4.14Å; W700-Q728 HydrophobicContact CG-CG 3.73Å; W700-Q728 HydrophobicContact CH2-CG 4.39Å; W700-Q728 HydrophobicContact CZ2-CB 4.37Å; W700-Q728 HydrophobicContact CZ2-CG 3.82Å
701	P	94.9	Very high	85.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.			trans	-86.1	139.9	-176.8	31	-33	0	0	0	111.5	A685 E693 T703 L705 H714 K716 K717 D718	A685-P701 HydrophobicContact CB-CB 3.97Å; A685-P701 HydrophobicContact CB-CG 4.33Å; E693-P701 WeakPolarHBondContact O-CA 3.1Å; P701-T703 PolarHBondContact O-N 2.83Å; P701-L705 HydrophobicContact CB-CD1 3.84Å; P701-L705 HydrophobicContact CB-CD2 4.32Å; P701-L705 HydrophobicContact CB-CG 4Å; P701-L705 HydrophobicContact CG-CD1 3.73Å; P701-L705 HydrophobicContact CG-CG 3.81Å; P701-H714 WeakPolarHBondContact CD-O 3.39Å; P701-K716 WeakPolarHBondContact CD-O 3.16Å; P701-K716 WeakPolarHBondContact CG-O 3.44Å; P701-K717 WeakPolarHBondContact O-CA 3.43Å; P701-D718 PolarHBondContact O-N 3.44Å
702	N	93.9	Very high	83.4	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	33%	0.327	C	S	.	.	S	Bend	trans	-52.9	-13.5	176	-74.8	-114.5	0	0	0	114.6	E693 D694 S695 D718	E693-N702 PolarHBondContact O-N 2.66Å; E693-N702 PolarHBondContact O-ND2 3.22Å; D694-N702 VanDerWaalsContact CA-ND2 3.34Å; D694-N702 WeakPolarHBondContact CA-ND2 3.14Å; S695-N702 PolarHBondContact N-ND2 2.99Å; S695-N702 VanDerWaalsContact OG-CG 3.3Å; S695-N702 PolarHBondContact OG-ND2 3.38Å; S695-N702 PolarHBondContact OG-OD1 2.71Å; N702-D718 WeakPolarHBondContact CA-OD2 3.08Å
703	T	92.9	Very high	82	Confident	86 Å²	86	63.6 Å²	63.6	53%	0.528	35%	0.349	S	S	.	.	S	Bend	trans	-151.6	143.3	-178	60.1	0	0	0	0	111	P701 L705	P701-T703 PolarHBondContact O-N 2.83Å; T703-L705 WeakPolarHBondContact O-CD2 3.41Å; T703-L705 PolarHBondContact O-N 2.8Å
704	D	90.9	Very high	81.3	Confident	105 Å²	105	61 Å²	61	56%	0.561	34%	0.337	S	S	*	.			trans	-49.7	130.8	174	-67.6	-63.8	0	0	0	113.5	K717	D704-K717 PolarHBondContact OD1-N 2.94Å
705	L	89.9	Confident	80.9	Confident	27 Å²	27	61 Å²	61	14%	0.141	34%	0.338	C	S	.	.			trans	-102.6	142.3	-179.3	-55.5	-177.3	0	0	0	111.5	A685 I690 G692 P701 T703 C707 C715	A685-L705 WeakPolarHBondContact O-CD1 3.12Å; I690-L705 HydrophobicContact CG2-CB 4.31Å; G692-L705 VanDerWaalsContact N-CD1 3.32Å; P701-L705 HydrophobicContact CB-CD1 3.84Å; P701-L705 HydrophobicContact CB-CD2 4.32Å; P701-L705 HydrophobicContact CB-CG 4Å; P701-L705 HydrophobicContact CG-CD1 3.73Å; P701-L705 HydrophobicContact CG-CG 3.81Å; T703-L705 WeakPolarHBondContact O-CD2 3.41Å; T703-L705 PolarHBondContact O-N 2.8Å; L705-C707 PolarHBondContact O-N 2.97Å; L705-C715 PolarHBondContact N-O 2.84Å
706	P	86.1	Confident	80.7	Confident	112 Å²	112	64.6 Å²	64.6	73%	0.727	35%	0.345	S	S	*	.			trans	-79.2	49.1	-179.9	35.3	-37.7	0	0	0	111.9	I690	I690-P706 HydrophobicContact CD1-CG 4.48Å; I690-P706 VanDerWaalsContact CD1-O 3.27Å; I690-P706 WeakPolarHBondContact CD1-O 3.3Å
707	C	78.1	Confident	80.6	Confident	25 Å²	25	68.8 Å²	68.8	17%	0.169	36%	0.363	C	S	.	.			trans	-83.7	178.6	171.1	96.5	0	0	0	0	110.2	I690 L705 A711 C715	I690-C707 HydrophobicContact CD1-CB 4.28Å; L705-C707 PolarHBondContact O-N 2.97Å; C707-A711 WeakPolarHBondContact SG-CB 3.46Å; C707-C715 HydrophobicContact CB-CB 4.15Å; C707-C715 WeakPolarHBondContact CB-SG 3.41Å; C707-C715 WeakPolarHBondContact SG-CB 3.38Å; C707-C715 CovalentContact SG-SG 2.04Å; C707-C715 PolarHBondContact SG-SG 3.03Å
708	V	63.4	Low	80.5	Confident	106 Å²	106	68.7 Å²	68.7	64%	0.642	36%	0.362	S	S	*	.			trans	-72.9	142.5	-176.5	-171.2	0	0	0	0	109.7	N710 A711	V708-N710 PolarHBondContact O-N 2.99Å; V708-A711 WeakPolarHBondContact O-CB 3.49Å; V708-A711 PolarHBondContact O-N 2.55Å
709	E	48.1	Very low	80.5	Confident	196 Å²	196	69 Å²	69	92%	0.916	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.8	-178.9	-64.9	179.3	138.4	0	0	114.5
710	N	47.2	Very low	80.6	Confident	148 Å²	148	68.8 Å²	68.8	79%	0.791	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	11.5	175.7	-69.7	41.3	0	0	0	113.6	V708 T712	V708-N710 PolarHBondContact O-N 2.99Å; N710-T712 PolarHBondContact O-N 3.14Å
711	A	53.6	Low	80.6	Confident	32 Å²	32	69 Å²	69	26%	0.264	37%	0.366	S	S	.	.			trans	-72.1	125.7	172.1	0	0	0	0	0	109.1	C707 V708 Y713	C707-A711 WeakPolarHBondContact SG-CB 3.46Å; V708-A711 WeakPolarHBondContact O-CB 3.49Å; V708-A711 PolarHBondContact O-N 2.55Å; A711-Y713 PolarHBondContact O-N 3.24Å
712	T	56.9	Low	80.5	Confident	97 Å²	97	75.3 Å²	75.3	60%	0.595	40%	0.4	S	S	*	.			trans	-63.7	-42.9	-157.8	-20.9	0	0	0	0	113.7	N710	N710-T712 PolarHBondContact O-N 3.14Å
713	Y	63.8	Low	80.6	Confident	141 Å²	141	74.2 Å²	74.2	55%	0.553	39%	0.394	S	S	*	.	S	Bend	trans	-144.2	175.2	-177.8	-61.9	-76.8	0	0	0	112.2	W700 A711 C715	W700-Y713 HydrophobicContact CH2-CD1 4.05Å; W700-Y713 AromaticContact CZ2-CD1 4Å; W700-Y713 HydrophobicContact CZ2-CD1 4Å; A711-Y713 PolarHBondContact O-N 3.24Å; Y713-C715 PolarHBondContact O-N 2.82Å
714	H	80.4	Confident	80.8	Confident	44 Å²	44	70.1 Å²	70.1	20%	0.204	37%	0.369	C	S	.	.	S	Bend	trans	66	18.2	166.4	-43.9	-58.8	0	0	0	117.8	G686 G699 P701	G686-H714 WeakPolarHBondContact CA-O 3.32Å; G686-H714 PolarHBondContact N-O 3.11Å; G699-H714 VanDerWaalsContact O-CB 3.25Å; G699-H714 WeakPolarHBondContact O-CB 3.25Å; G699-H714 VanDerWaalsContact O-CG 3.27Å; G699-H714 PolarHBondContact O-ND1 3.01Å; P701-H714 WeakPolarHBondContact CD-O 3.39Å
715	C	87.7	Confident	81.1	Confident	12 Å²	12	65.2 Å²	65.2	8%	0.081	34%	0.343	C	S	.	.			trans	-115.4	-11.2	177.9	-70.9	0	0	0	0	116	L705 C707 Y713	L705-C715 PolarHBondContact N-O 2.84Å; C707-C715 HydrophobicContact CB-CB 4.15Å; C707-C715 WeakPolarHBondContact CB-SG 3.41Å; C707-C715 WeakPolarHBondContact SG-CB 3.38Å; C707-C715 CovalentContact SG-SG 2.04Å; C707-C715 PolarHBondContact SG-SG 3.03Å; Y713-C715 PolarHBondContact O-N 2.82Å
716	K	90.4	Very high	81.3	Confident	139 Å²	139	64 Å²	64	60%	0.604	34%	0.336	S	S	*	.	S	Bend	trans	-84.2	155.3	179.3	-64.4	-59.2	-173.4	177.1	0	110.7	W700 P701 D718	W700-K716 HydrophobicContact CE3-CB 4.3Å; W700-K716 HydrophobicContact CZ3-CB 4.04Å; W700-K716 HydrophobicContact CZ3-CG 4.35Å; P701-K716 WeakPolarHBondContact CD-O 3.16Å; P701-K716 WeakPolarHBondContact CG-O 3.44Å; K716-D718 PolarHBondContact O-N 3.41Å; K716-D718 VanDerWaalsContact O-N 3.14Å
717	K	93.1	Very high	81.7	Confident	91 Å²	91	59.6 Å²	59.6	40%	0.396	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-55	119.6	164.1	-177.3	-141.6	162.1	-100.9	0	108.2	P701 D704	P701-K717 WeakPolarHBondContact O-CA 3.43Å; D704-K717 PolarHBondContact OD1-N 2.94Å
718	D	96.1	Very high	82.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-54.5	151.1	169.6	97	64.1	0	0	0	110.5	W700 P701 N702 K716 C720 P721	W700-D718 HydrophobicContact CB-CB 3.4Å; W700-D718 VanDerWaalsContact CB-CB 3.4Å; P701-D718 PolarHBondContact O-N 3.44Å; N702-D718 WeakPolarHBondContact CA-OD2 3.08Å; K716-D718 PolarHBondContact O-N 3.41Å; K716-D718 VanDerWaalsContact O-N 3.14Å; D718-C720 PolarHBondContact OD1-N 2.78Å; D718-P721 WeakPolarHBondContact OD1-CA 3.4Å; D718-P721 WeakPolarHBondContact OD1-CB 3.44Å; D718-P721 VanDerWaalsContact OD1-CD 3.26Å; D718-P721 WeakPolarHBondContact OD1-CD 3.06Å; D718-P721 WeakPolarHBondContact OD1-CG 3.46Å; D718-P721 WeakPolarHBondContact OD2-CA 3.44Å; D718-P721 WeakPolarHBondContact OD2-CB 3.3Å; D718-P721 WeakPolarHBondContact OD2-CG 3.02Å
719	N	95.7	Very high	84	Confident	8 Å²	8	57 Å²	57	4%	0.043	29%	0.29	C	S	.	.	S	Bend	trans	-94.5	-21.1	-175.5	64.3	-3.7	0	0	0	114.6	N725 Q728 E729 L736 G737	N719-N725 PolarHBondContact OD1-ND2 2.78Å; N719-Q728 PolarHBondContact ND2-NE2 3.32Å; N719-Q728 PolarHBondContact OD1-NE2 2.89Å; N719-E729 PolarHBondContact ND2-O 3.2Å; N719-E729 VanDerWaalsContact ND2-O 3.11Å; N719-L736 WeakPolarHBondContact CB-O 3.3Å; N719-L736 PolarHBondContact ND2-O 2.83Å; N719-G737 VanDerWaalsContact CG-CA 3.45Å; N719-G737 WeakPolarHBondContact ND2-CA 3.4Å
720	C	95.9	Very high	86.2	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.027	26%	0.256	C	S	.	.	S	Bend	trans	-125.8	64.2	179.3	-64.5	0	0	0	0	114.5	D718 N722 L723 N725 G737 C740	D718-C720 PolarHBondContact OD1-N 2.78Å; C720-N722 PolarHBondContact O-N 3.08Å; C720-L723 PolarHBondContact O-N 2.9Å; C720-N725 WeakPolarHBondContact CB-OD1 3.5Å; C720-G737 PolarHBondContact SG-O 3.04Å; C720-C740 WeakPolarHBondContact CA-SG 3.49Å; C720-C740 HydrophobicContact CB-CB 3.68Å; C720-C740 WeakPolarHBondContact CB-SG 3.47Å; C720-C740 WeakPolarHBondContact SG-CB 3.26Å; C720-C740 PolarHBondContact SG-N 2.76Å; C720-C740 CovalentContact SG-SG 2.03Å; C720-C740 PolarHBondContact SG-SG 2.05Å
721	P	94	Very high	88.4	Confident	31 Å²	31	47 Å²	47	20%	0.201	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	23.9	-156.7	-18.2	30.2	0	0	0	119	D696 D718	D696-P721 WeakPolarHBondContact OD2-CA 3.34Å; D718-P721 WeakPolarHBondContact OD1-CA 3.4Å; D718-P721 WeakPolarHBondContact OD1-CB 3.44Å; D718-P721 VanDerWaalsContact OD1-CD 3.26Å; D718-P721 WeakPolarHBondContact OD1-CD 3.06Å; D718-P721 WeakPolarHBondContact OD1-CG 3.46Å; D718-P721 WeakPolarHBondContact OD2-CA 3.44Å; D718-P721 WeakPolarHBondContact OD2-CB 3.3Å; D718-P721 WeakPolarHBondContact OD2-CG 3.02Å
722	N	92.9	Very high	90.3	Very high	132 Å²	132	47.8 Å²	47.8	71%	0.706	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.9	13.1	171.5	-50.4	-109.1	0	0	0	112.6	D696 C720	D696-N722 VanDerWaalsContact OD2-C 3.24Å; D696-N722 WeakPolarHBondContact OD2-CA 3.42Å; D696-N722 PolarHBondContact OD2-N 3.41Å; C720-N722 PolarHBondContact O-N 3.08Å
723	L	95.5	Very high	92.1	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.12	24%	0.242	C	C	.	.	S	Bend	trans	-153.2	108.3	-169.7	175.5	55.3	0	0	0	109.5	D696 C720 N725 E739 C740 F1015 N1017 Y1161	D696-L723 PolarHBondContact OD2-N 2.88Å; C720-L723 PolarHBondContact O-N 2.9Å; L723-N725 PolarHBondContact O-N 2.97Å; L723-E739 HydrophobicContact CD1-CG 4.5Å; L723-E739 HydrophobicContact CD2-CG 3.79Å; L723-E739 VanDerWaalsContact CD2-O 3.26Å; L723-E739 WeakPolarHBondContact CD2-O 3.26Å; L723-E739 HydrophobicContact CG-CG 3.84Å; L723-C740 HydrophobicContact CD2-CB 4.47Å; L723-F1015 HydrophobicContact CD1-CD1 4.11Å; L723-F1015 HydrophobicContact CD1-CE1 3.49Å; L723-F1015 VanDerWaalsContact CD1-CE1 3.49Å; L723-F1015 HydrophobicContact CD1-CZ 4.03Å; L723-N1017 HydrophobicContact CD1-CB 4.23Å; L723-N1017 WeakPolarHBondContact CD1-ND2 3.37Å; L723-Y1161 HydrophobicContact CD1-CE1 4.13Å
724	P	97.3	Very high	93.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.			trans	-61.1	120.2	-169.6	-22.3	31	0	0	0	113.7	D696 D698 T1013 F1015 S1163	D696-P724 HydrophobicContact CB-CG 4.11Å; D696-P724 WeakPolarHBondContact O-CG 3.29Å; D698-P724 HydrophobicContact CB-CB 3.95Å; P724-T1013 HydrophobicContact CB-CG2 4.31Å; P724-T1013 HydrophobicContact CG-CG2 4.03Å; P724-F1015 HydrophobicContact CG-CB 3.78Å; P724-F1015 HydrophobicContact CG-CD2 4.02Å; P724-F1015 HydrophobicContact CG-CG 3.92Å; P724-S1163 WeakPolarHBondContact CB-OG 3.31Å
725	N	96.2	Very high	94	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	25%	0.252	C	S	.	.			trans	-140.3	59.4	175.5	72.4	-43.1	0	0	0	110.5	N719 C720 L723 G727 Q728 E739	N719-N725 PolarHBondContact OD1-ND2 2.78Å; C720-N725 WeakPolarHBondContact CB-OD1 3.5Å; L723-N725 PolarHBondContact O-N 2.97Å; N725-G727 PolarHBondContact O-N 3.25Å; N725-Q728 PolarHBondContact O-N 3.01Å; N725-E739 HydrophobicContact CB-CB 3.81Å; N725-E739 HydrophobicContact CB-CG 4.2Å
726	S	95.6	Very high	94.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.3	-166.1	59.3	0	0	0	0	116.2	D698 W700 Q728 H983 E987 S1163 D1164	D698-S726 WeakPolarHBondContact O-CB 3.19Å; D698-S726 WeakPolarHBondContact OD2-CA 3.36Å; W700-S726 PolarHBondContact NE1-O 2.7Å; S726-Q728 VanDerWaalsContact C-N 3.26Å; S726-H983 VanDerWaalsContact C-ND1 3.26Å; S726-H983 WeakPolarHBondContact CB-ND1 3.32Å; S726-H983 PolarHBondContact O-CE1 3.16Å; S726-H983 VanDerWaalsContact O-CE1 3.23Å; S726-H983 PolarHBondContact O-ND1 3.12Å; S726-H983 PolarHBondContact OG-ND1 2.88Å; S726-E987 WeakPolarHBondContact CB-OE2 3.3Å; S726-E987 PolarHBondContact N-OE2 2.94Å; S726-E987 PolarHBondContact OG-OE2 2.8Å; S726-S1163 WeakPolarHBondContact CB-OG 3.44Å; S726-S1163 PolarHBondContact OG-OG 3.12Å; S726-D1164 PolarHBondContact OG-N 2.96Å; S726-D1164 VanDerWaalsContact OG-N 3.1Å
727	G	94.2	Very high	94.6	Very high	20 Å²	20	44.4 Å²	44.4	21%	0.206	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.5	173.5	0	0	0	0	0	114.1	N725 E729 H983	N725-G727 PolarHBondContact O-N 3.25Å; G727-E729 WeakPolarHBondContact CA-OE2 3.41Å; G727-E729 PolarHBondContact O-N 3.05Å; G727-H983 VanDerWaalsContact CA-CB 3.42Å; G727-H983 PolarHBondContact N-ND1 3.02Å
728	Q	94.7	Very high	94.6	Very high	37 Å²	37	40.9 Å²	40.9	17%	0.173	22%	0.221	C	C	.	.			trans	56.6	31.8	179	-77.6	-68.5	161.7	0	0	113.5	W700 N719 N725 S726 D730	W700-Q728 HydrophobicContact CD2-CG 3.52Å; W700-Q728 HydrophobicContact CE3-CG 4.14Å; W700-Q728 HydrophobicContact CG-CG 3.73Å; W700-Q728 HydrophobicContact CH2-CG 4.39Å; W700-Q728 HydrophobicContact CZ2-CB 4.37Å; W700-Q728 HydrophobicContact CZ2-CG 3.82Å; N719-Q728 PolarHBondContact ND2-NE2 3.32Å; N719-Q728 PolarHBondContact OD1-NE2 2.89Å; N725-Q728 PolarHBondContact O-N 3.01Å; S726-Q728 VanDerWaalsContact C-N 3.26Å; Q728-D730 PolarHBondContact O-N 3.31Å
729	E	94.5	Very high	94.5	Very high	41 Å²	41	42.4 Å²	42.4	19%	0.192	23%	0.228	C	C	.	.			trans	-56	136.1	174	-66.4	85	171.5	0	0	111.2	N719 G727 G737 D738 H983	N719-E729 PolarHBondContact ND2-O 3.2Å; N719-E729 VanDerWaalsContact ND2-O 3.11Å; G727-E729 WeakPolarHBondContact CA-OE2 3.41Å; G727-E729 PolarHBondContact O-N 3.05Å; E729-G737 VanDerWaalsContact O-CA 3.28Å; E729-G737 WeakPolarHBondContact O-CA 3.36Å; E729-D738 VanDerWaalsContact C-OD1 3.28Å; E729-D738 HydrophobicContact CB-CB 4.44Å; E729-D738 PolarHBondContact O-N 3.29Å; E729-H983 PolarHBondContact OE1-N 3.29Å
730	D	94.4	Very high	94.4	Very high	40 Å²	40	44 Å²	44	21%	0.214	24%	0.24	C	C	.	.			trans	-160.8	86.7	-171.7	172.9	5.2	0	0	0	106	Q728 K733 D738	Q728-D730 PolarHBondContact O-N 3.31Å; D730-K733 WeakPolarHBondContact O-CE 3.36Å; D730-K733 PolarHBondContact O-NZ 2.74Å; D730-K733 WeakPolarHBondContact OD1-CA 3.32Å; D730-K733 PolarHBondContact OD1-N 2.97Å; D730-D738 WeakPolarHBondContact CA-OD1 3.42Å; D730-D738 PolarHBondContact N-OD1 3.25Å; D730-D738 VanDerWaalsContact N-OD1 3.12Å
731	H	93.6	Very high	94.3	Very high	93 Å²	93	45.6 Å²	45.6	43%	0.431	25%	0.248	S	C	.	.	S	Bend	trans	-70.2	-47.7	-168.2	-152.9	108	0	0	0	112.6	K733 D738 D744 R758	H731-K733 PolarHBondContact O-NZ 2.94Å; H731-D738 PolarHBondContact N-OD1 3.08Å; H731-D744 WeakPolarHBondContact CB-O 3.24Å; H731-R758 PolarHBondContact CE1-O 3Å; H731-R758 PolarHBondContact NE2-O 3.02Å
732	D	92.7	Very high	94.4	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.262	27%	0.272	S	S	.	.	S	Bend	trans	-83.6	-22	-176.1	75.6	1.2	0	0	0	115.1	D734 N746	D732-D734 WeakPolarHBondContact OD1-CB 3.45Å; D732-D734 PolarHBondContact OD1-N 2.92Å; D732-N746 HydrophobicContact CB-CB 4.43Å; D732-N746 VanDerWaalsContact OD2-CB 3.32Å; D732-N746 WeakPolarHBondContact OD2-CB 3.28Å; D732-N746 PolarHBondContact OD2-ND2 3.03Å
733	K	94.8	Very high	94.5	Very high	152 Å²	152	46.4 Å²	46.4	66%	0.661	25%	0.246	S	C	*	.			trans	69.3	37.5	-172.9	-63.3	99.8	-166.1	153.2	0	115.6	D730 H731	D730-K733 WeakPolarHBondContact O-CE 3.36Å; D730-K733 PolarHBondContact O-NZ 2.74Å; D730-K733 WeakPolarHBondContact OD1-CA 3.32Å; D730-K733 PolarHBondContact OD1-N 2.97Å; H731-K733 PolarHBondContact O-NZ 2.94Å
734	D	93.4	Very high	94.5	Very high	109 Å²	109	46 Å²	46	58%	0.583	24%	0.244	S	C	*	.	S	Bend	trans	-61.8	-43.3	159.2	176.9	-81.3	0	0	0	111.3	D732 L736	D732-D734 WeakPolarHBondContact OD1-CB 3.45Å; D732-D734 PolarHBondContact OD1-N 2.92Å; D734-L736 PolarHBondContact OD1-N 2.82Å
735	G	91.6	Very high	94.4	Very high	38 Å²	38	46.8 Å²	46.8	39%	0.392	25%	0.248	S	C	.	.	S	Bend	trans	99.2	7.5	-174.4	0	0	0	0	0	114.8
736	L	95.1	Very high	94.4	Very high	61 Å²	61	51 Å²	51	32%	0.319	27%	0.27	S	S	.	.	S	Bend	trans	-73.4	-173	142	-156.8	48.2	0	0	0	108.9	N719 D734 C740 D741	N719-L736 WeakPolarHBondContact CB-O 3.3Å; N719-L736 PolarHBondContact ND2-O 2.83Å; D734-L736 PolarHBondContact OD1-N 2.82Å; L736-C740 WeakPolarHBondContact CD1-SG 3.44Å; L736-D741 WeakPolarHBondContact CB-OD2 3.41Å; L736-D741 HydrophobicContact CD2-CB 4.11Å; L736-D741 WeakPolarHBondContact CD2-OD2 3.27Å; L736-D741 HydrophobicContact CG-CB 4.27Å
737	G	95	Very high	94.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	27%	0.274	C	S	.	.			trans	-140.2	150.9	177.6	0	0	0	0	0	110.7	N719 C720 E729 E739 C740 D741	N719-G737 VanDerWaalsContact CG-CA 3.45Å; N719-G737 WeakPolarHBondContact ND2-CA 3.4Å; C720-G737 PolarHBondContact SG-O 3.04Å; E729-G737 VanDerWaalsContact O-CA 3.28Å; E729-G737 WeakPolarHBondContact O-CA 3.36Å; G737-E739 PolarHBondContact O-N 2.99Å; G737-C740 CarbonylContact O-C 3.56Å; G737-C740 PolarHBondContact O-N 2.72Å; G737-D741 PolarHBondContact O-N 3.37Å
738	D	94.1	Very high	94.4	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.091	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-43.2	-51.2	-170.8	-63.4	19.4	0	0	0	111.9	E729 D730 H731 C740 D741 D744 R758	E729-D738 VanDerWaalsContact C-OD1 3.28Å; E729-D738 HydrophobicContact CB-CB 4.44Å; E729-D738 PolarHBondContact O-N 3.29Å; D730-D738 WeakPolarHBondContact CA-OD1 3.42Å; D730-D738 PolarHBondContact N-OD1 3.25Å; D730-D738 VanDerWaalsContact N-OD1 3.12Å; H731-D738 PolarHBondContact N-OD1 3.08Å; D738-C740 PolarHBondContact O-N 3.33Å; D738-D741 PolarHBondContact O-N 3.36Å; D738-D744 WeakPolarHBondContact CA-OD1 3.3Å; D738-D744 WeakPolarHBondContact CB-OD1 2.93Å; D738-D744 VanDerWaalsContact O-OD1 3.1Å; D738-R758 IonicContact OD2-CZ 2.94Å; D738-R758 IonicContact OD2-NE 3.09Å; D738-R758 PolarHBondContact OD2-NE 3.37Å; D738-R758 IonicContact OD2-NH2 3.24Å; D738-R758 PolarHBondContact OD2-NH2 3.2Å
739	E	93.4	Very high	94.5	Very high	32 Å²	32	53.4 Å²	53.4	15%	0.15	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.3	-11.4	-176	-177.5	50.2	-152.5	0	0	115.5	L723 N725 G737 R982 N1017 Y1161	L723-E739 HydrophobicContact CD1-CG 4.5Å; L723-E739 HydrophobicContact CD2-CG 3.79Å; L723-E739 VanDerWaalsContact CD2-O 3.26Å; L723-E739 WeakPolarHBondContact CD2-O 3.26Å; L723-E739 HydrophobicContact CG-CG 3.84Å; N725-E739 HydrophobicContact CB-CB 3.81Å; N725-E739 HydrophobicContact CB-CG 4.2Å; G737-E739 PolarHBondContact O-N 2.99Å; E739-R982 IonicContact OE2-CZ 2.7Å; E739-R982 IonicContact OE2-NH1 2.65Å; E739-R982 PolarHBondContact OE2-NH1 3.49Å; E739-R982 IonicContact OE2-NH2 3.28Å; E739-R982 PolarHBondContact OE2-NH2 3.48Å; E739-N1017 PolarHBondContact OE1-ND2 3.29Å; E739-Y1161 HydrophobicContact CG-CE1 4.12Å; E739-Y1161 WeakPolarHBondContact OE1-CE1 3.41Å; E739-Y1161 VanDerWaalsContact OE1-CZ 3.22Å; E739-Y1161 PolarHBondContact OE1-OH 2.88Å
740	C	93.6	Very high	94.5	Very high	42 Å²	42	53.7 Å²	53.7	28%	0.284	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-131.5	10.6	176.7	70	0	0	0	0	114.9	C720 L723 L736 G737 D738	C720-C740 WeakPolarHBondContact CA-SG 3.49Å; C720-C740 HydrophobicContact CB-CB 3.68Å; C720-C740 WeakPolarHBondContact CB-SG 3.47Å; C720-C740 WeakPolarHBondContact SG-CB 3.26Å; C720-C740 PolarHBondContact SG-N 2.76Å; C720-C740 CovalentContact SG-SG 2.03Å; C720-C740 PolarHBondContact SG-SG 2.05Å; L723-C740 HydrophobicContact CD2-CB 4.47Å; L736-C740 WeakPolarHBondContact CD1-SG 3.44Å; G737-C740 CarbonylContact O-C 3.56Å; G737-C740 PolarHBondContact O-N 2.72Å; D738-C740 PolarHBondContact O-N 3.33Å
741	D	94.8	Very high	94.4	Very high	38 Å²	38	54 Å²	54	20%	0.203	30%	0.299	C	S	.	.			trans	-82.8	-168.1	168.2	-140.7	-46.7	0	0	0	111.6	L736 G737 D738	L736-D741 WeakPolarHBondContact CB-OD2 3.41Å; L736-D741 HydrophobicContact CD2-CB 4.11Å; L736-D741 WeakPolarHBondContact CD2-OD2 3.27Å; L736-D741 HydrophobicContact CG-CB 4.27Å; G737-D741 PolarHBondContact O-N 3.37Å; D738-D741 PolarHBondContact O-N 3.36Å
742	Q	94.4	Very high	94.3	Very high	149 Å²	149	56.2 Å²	56.2	70%	0.696	31%	0.314	S	S	*	.	S	Bend	trans	-144.8	10.6	177.1	-55.7	-173.2	-7.1	0	0	112	P750 D751	Q742-P750 WeakPolarHBondContact O-CA 3.18Å; Q742-P750 VanDerWaalsContact O-CB 3.26Å; Q742-P750 WeakPolarHBondContact O-CB 3.42Å; Q742-D751 WeakPolarHBondContact CA-OD2 3.35Å
743	D	95.6	Very high	94.3	Very high	31 Å²	31	60.9 Å²	60.9	17%	0.166	33%	0.328	C	S	.	.	S	Bend	trans	-169.8	60.3	-168.6	-151.9	-41.7	0	0	0	107.3	D745 N746 D747 G748 D751	D743-D745 PolarHBondContact O-N 2.93Å; D743-N746 PolarHBondContact O-N 3.14Å; D743-N746 VanDerWaalsContact OD1-CA 3.31Å; D743-N746 WeakPolarHBondContact OD1-CA 3.33Å; D743-D747 PolarHBondContact OD1-N 2.77Å; D743-G748 PolarHBondContact OD1-N 3.34Å; D743-G748 WeakPolarHBondContact OD2-CA 3.23Å; D743-G748 PolarHBondContact OD2-N 2.87Å; D743-D751 WeakPolarHBondContact CA-OD1 3.34Å; D743-D751 PolarHBondContact N-OD1 3.32Å; D743-D751 PolarHBondContact N-OD2 2.79Å
744	D	95.5	Very high	94.4	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.08	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-28.9	-166.5	-108.4	25.2	0	0	0	115	H731 D738 D751 P757 R758	H731-D744 WeakPolarHBondContact CB-O 3.24Å; D738-D744 WeakPolarHBondContact CA-OD1 3.3Å; D738-D744 WeakPolarHBondContact CB-OD1 2.93Å; D738-D744 VanDerWaalsContact O-OD1 3.1Å; D744-D751 PolarHBondContact N-OD1 3.39Å; D744-P757 HydrophobicContact CB-CB 4.47Å; D744-P757 WeakPolarHBondContact CB-O 3.28Å; D744-R758 HydrophobicContact CB-CG 4.29Å; D744-R758 WeakPolarHBondContact OD2-CG 3.41Å; D744-R758 IonicContact OD2-NE 3.04Å; D744-R758 PolarHBondContact OD2-NE 2.71Å
745	D	95.1	Very high	94.5	Very high	15 Å²	15	50.3 Å²	50.3	8%	0.08	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	5.9	-177.7	66.3	26.3	0	0	0	115.3	D743 D747 P757 V759 Y760	D743-D745 PolarHBondContact O-N 2.93Å; D745-D747 VanDerWaalsContact C-N 3.31Å; D745-D747 PolarHBondContact O-N 2.94Å; D745-D747 WeakPolarHBondContact OD1-CB 3.03Å; D745-D747 PolarHBondContact OD1-N 2.7Å; D745-P757 PolarHBondContact N-O 3.19Å; D745-P757 VanDerWaalsContact OD2-O 3.14Å; D745-V759 PolarHBondContact OD2-N 2.84Å; D745-Y760 VanDerWaalsContact OD2-CA 3.29Å; D745-Y760 WeakPolarHBondContact OD2-CA 3.27Å; D745-Y760 PolarHBondContact OD2-N 2.65Å
746	N	96	Very high	94.7	Very high	90 Å²	90	48.6 Å²	48.6	48%	0.481	26%	0.26	S	S	.	.	S	Bend	trans	55.6	33.5	-177	-115.3	-86.6	0	0	0	115.3	D732 D743	D732-N746 HydrophobicContact CB-CB 4.43Å; D732-N746 VanDerWaalsContact OD2-CB 3.32Å; D732-N746 WeakPolarHBondContact OD2-CB 3.28Å; D732-N746 PolarHBondContact OD2-ND2 3.03Å; D743-N746 PolarHBondContact O-N 3.14Å; D743-N746 VanDerWaalsContact OD1-CA 3.31Å; D743-N746 WeakPolarHBondContact OD1-CA 3.33Å
747	D	96	Very high	94.6	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.091	26%	0.258	C	S	.	.	S	Bend	trans	-57.9	-43.9	169	176.3	-53.1	0	0	0	113.3	D743 D745 I749 Y760 N761 P762	D743-D747 PolarHBondContact OD1-N 2.77Å; D745-D747 VanDerWaalsContact C-N 3.31Å; D745-D747 PolarHBondContact O-N 2.94Å; D745-D747 WeakPolarHBondContact OD1-CB 3.03Å; D745-D747 PolarHBondContact OD1-N 2.7Å; D747-I749 VanDerWaalsContact OD1-CG1 3.24Å; D747-I749 WeakPolarHBondContact OD1-CG1 3.1Å; D747-I749 PolarHBondContact OD1-N 2.8Å; D747-Y760 HydrophobicContact CB-CD2 4.1Å; D747-Y760 HydrophobicContact CB-CE2 4.38Å; D747-N761 WeakPolarHBondContact OD2-CA 3.32Å; D747-N761 PolarHBondContact OD2-N 3.04Å; D747-N761 PolarHBondContact OD2-OD1 2.82Å; D747-P762 HydrophobicContact CB-CG 4.31Å; D747-P762 VanDerWaalsContact CG-CG 3.42Å; D747-P762 WeakPolarHBondContact OD1-CA 3.35Å; D747-P762 VanDerWaalsContact OD1-CB 3.26Å; D747-P762 WeakPolarHBondContact OD1-CB 3.49Å; D747-P762 WeakPolarHBondContact OD1-CG 3.31Å; D747-P762 WeakPolarHBondContact OD2-CA 3.48Å; D747-P762 WeakPolarHBondContact OD2-CB 3.1Å; D747-P762 WeakPolarHBondContact OD2-CD 3.47Å; D747-P762 WeakPolarHBondContact OD2-CG 3.19Å
748	G	94.9	Very high	94.5	Very high	52 Å²	52	52.3 Å²	52.3	54%	0.536	28%	0.275	S	S	.	.	S	Bend	trans	102.6	10.7	-168.1	0	0	0	0	0	114.4	D743	D743-G748 PolarHBondContact OD1-N 3.34Å; D743-G748 WeakPolarHBondContact OD2-CA 3.23Å; D743-G748 PolarHBondContact OD2-N 2.87Å
749	I	96.1	Very high	94.6	Very high	39 Å²	39	54.4 Å²	54.4	20%	0.2	29%	0.288	C	S	.	.	S	Bend	trans	-117.6	121	171.3	-63	-69.2	0	0	0	107.3	D747 D754 Q764	D747-I749 VanDerWaalsContact OD1-CG1 3.24Å; D747-I749 WeakPolarHBondContact OD1-CG1 3.1Å; D747-I749 PolarHBondContact OD1-N 2.8Å; I749-D754 WeakPolarHBondContact CB-OD2 3.4Å; I749-D754 HydrophobicContact CG2-CB 3.88Å; I749-D754 WeakPolarHBondContact CG2-OD2 3.39Å; I749-Q764 HydrophobicContact CG1-CG 4.34Å
750	P	95.1	Very high	94.7	Very high	47 Å²	47	58.7 Å²	58.7	31%	0.305	30%	0.304	S	S	.	.			trans	-67.8	144.4	179.3	-26.3	35.7	0	0	0	114.3	Q742 D752 R753 D754	Q742-P750 WeakPolarHBondContact O-CA 3.18Å; Q742-P750 VanDerWaalsContact O-CB 3.26Å; Q742-P750 WeakPolarHBondContact O-CB 3.42Å; P750-D752 PolarHBondContact O-N 2.81Å; P750-D752 VanDerWaalsContact O-N 3.07Å; P750-R753 CarbonylContact O-C 3.4Å; P750-R753 WeakPolarHBondContact O-CA 3.44Å; P750-R753 PolarHBondContact O-N 3.44Å; P750-D754 PolarHBondContact O-N 3.24Å; P750-D754 VanDerWaalsContact O-N 3.15Å
751	D	91.9	Very high	94.8	Very high	48 Å²	48	57 Å²	57	26%	0.257	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-53.6	-32.7	-174.1	-26.5	-66.7	0	0	0	113.2	Q742 D743 D744 R753 D754 P757	Q742-D751 WeakPolarHBondContact CA-OD2 3.35Å; D743-D751 WeakPolarHBondContact CA-OD1 3.34Å; D743-D751 PolarHBondContact N-OD1 3.32Å; D743-D751 PolarHBondContact N-OD2 2.79Å; D744-D751 PolarHBondContact N-OD1 3.39Å; D751-R753 PolarHBondContact O-N 2.76Å; D751-D754 PolarHBondContact O-N 2.74Å; D751-P757 HydrophobicContact CB-CB 4.09Å; D751-P757 HydrophobicContact CB-CG 4.38Å
752	D	90.5	Very high	94.9	Very high	138 Å²	138	58 Å²	58	74%	0.738	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-60.8	-9	176.2	94.2	-49.2	0	0	0	113.9	P750	P750-D752 PolarHBondContact O-N 2.81Å; P750-D752 VanDerWaalsContact O-N 3.07Å
753	R	94	Very high	94.9	Very high	148 Å²	148	53.6 Å²	53.6	56%	0.558	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-148.7	15.7	-173.7	-71.1	171.1	49.5	-93.1	-29.6	113.1	P750 D751	P750-R753 CarbonylContact O-C 3.4Å; P750-R753 WeakPolarHBondContact O-CA 3.44Å; P750-R753 PolarHBondContact O-N 3.44Å; D751-R753 PolarHBondContact O-N 2.76Å
754	D	96.2	Very high	95	Very high	16 Å²	16	54.8 Å²	54.8	9%	0.086	29%	0.294	C	S	.	.			trans	-102.4	135.9	175.6	-155.2	-62.7	0	0	0	110.6	I749 P750 D751 C756 P757 N761 Q764	I749-D754 WeakPolarHBondContact CB-OD2 3.4Å; I749-D754 HydrophobicContact CG2-CB 3.88Å; I749-D754 WeakPolarHBondContact CG2-OD2 3.39Å; P750-D754 PolarHBondContact O-N 3.24Å; P750-D754 VanDerWaalsContact O-N 3.15Å; D751-D754 PolarHBondContact O-N 2.74Å; D754-C756 WeakPolarHBondContact OD1-CA 3.29Å; D754-C756 PolarHBondContact OD1-N 2.99Å; D754-P757 HydrophobicContact CB-CG 4.13Å; D754-N761 PolarHBondContact OD1-OD1 2.75Å; D754-Q764 PolarHBondContact OD1-NE2 3.34Å; D754-Q764 PolarHBondContact OD2-NE2 3.09Å
755	N	95.1	Very high	95	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.123	32%	0.32	C	S	.	.	S	Bend	trans	-90.2	-3.6	175.8	74.5	-16.7	0	0	0	114.7	N761 Q764 Y765 D766 D771 V772 G773 C776	N755-N761 PolarHBondContact OD1-ND2 2.53Å; N755-Q764 VanDerWaalsContact N-OE1 3.08Å; N755-Q764 PolarHBondContact OD1-NE2 3.03Å; N755-Q764 PolarHBondContact OD1-OE1 3.42Å; N755-Y765 PolarHBondContact ND2-O 3Å; N755-Y765 VanDerWaalsContact ND2-O 3.16Å; N755-D766 WeakPolarHBondContact ND2-CB 3.4Å; N755-D771 WeakPolarHBondContact CB-O 3.26Å; N755-V772 PolarHBondContact ND2-O 3.39Å; N755-V772 CarbonylContact O-C 3.52Å; N755-V772 WeakPolarHBondContact O-CA 3.34Å; N755-G773 VanDerWaalsContact CG-CA 3.48Å; N755-G773 WeakPolarHBondContact ND2-CA 3.23Å; N755-G773 PolarHBondContact O-N 3.38Å; N755-C776 PolarHBondContact O-SG 2.94Å
756	C	95.5	Very high	95.1	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.014	33%	0.329	C	S	.	.	S	Bend	trans	-143.8	66.5	165.1	-65.8	0	0	0	0	111.4	D754 R758 V759 N761 G773 C776	D754-C756 WeakPolarHBondContact OD1-CA 3.29Å; D754-C756 PolarHBondContact OD1-N 2.99Å; C756-R758 PolarHBondContact O-N 3.5Å; C756-V759 HydrophobicContact CB-CB 4.18Å; C756-V759 PolarHBondContact O-N 2.76Å; C756-N761 WeakPolarHBondContact CB-ND2 3.48Å; C756-N761 PolarHBondContact SG-ND2 3.43Å; C756-G773 VanDerWaalsContact SG-CA 3.51Å; C756-G773 PolarHBondContact SG-O 2.84Å; C756-C776 WeakPolarHBondContact CA-SG 3.44Å; C756-C776 HydrophobicContact CB-CB 3.67Å; C756-C776 WeakPolarHBondContact CB-SG 3.45Å; C756-C776 WeakPolarHBondContact SG-CB 3.04Å; C756-C776 PolarHBondContact SG-N 2.72Å; C756-C776 CovalentContact SG-SG 2.04Å; C756-C776 PolarHBondContact SG-SG 3.04Å
757	P	94.4	Very high	95.1	Very high	43 Å²	43	61.4 Å²	61.4	28%	0.279	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-24.2	-173.2	-28	32.7	0	0	0	116.2	D744 D745 D751 D754	D744-P757 HydrophobicContact CB-CB 4.47Å; D744-P757 WeakPolarHBondContact CB-O 3.28Å; D745-P757 PolarHBondContact N-O 3.19Å; D745-P757 VanDerWaalsContact OD2-O 3.14Å; D751-P757 HydrophobicContact CB-CB 4.09Å; D751-P757 HydrophobicContact CB-CG 4.38Å; D754-P757 HydrophobicContact CB-CG 4.13Å
758	R	93.2	Very high	95.1	Very high	97 Å²	97	62.7 Å²	62.7	37%	0.366	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	8.6	-175.5	-68.1	166.8	164	-168.4	-18.9	114.5	H731 D738 D744 C756	H731-R758 PolarHBondContact CE1-O 3Å; H731-R758 PolarHBondContact NE2-O 3.02Å; D738-R758 IonicContact OD2-CZ 2.94Å; D738-R758 IonicContact OD2-NE 3.09Å; D738-R758 PolarHBondContact OD2-NE 3.37Å; D738-R758 IonicContact OD2-NH2 3.24Å; D738-R758 PolarHBondContact OD2-NH2 3.2Å; D744-R758 HydrophobicContact CB-CG 4.29Å; D744-R758 WeakPolarHBondContact OD2-CG 3.41Å; D744-R758 IonicContact OD2-NE 3.04Å; D744-R758 PolarHBondContact OD2-NE 2.71Å; C756-R758 PolarHBondContact O-N 3.5Å
759	V	94.9	Very high	95.1	Very high	60 Å²	60	69.3 Å²	69.3	36%	0.364	34%	0.342	S	S	.	.	S	Bend	trans	-142.8	49.1	-168.5	-157.5	0	0	0	0	115.8	D745 C756 N761 R775 C776	D745-V759 PolarHBondContact OD2-N 2.84Å; C756-V759 HydrophobicContact CB-CB 4.18Å; C756-V759 PolarHBondContact O-N 2.76Å; V759-N761 PolarHBondContact O-N 2.98Å; V759-R775 HydrophobicContact CG1-CB 4.27Å; V759-C776 HydrophobicContact CB-CB 4.15Å; V759-C776 HydrophobicContact CG2-CB 3.69Å
760	Y	95.7	Very high	95	Very high	123 Å²	123	67.9 Å²	67.9	48%	0.482	33%	0.334	S	S	.	.			trans	15.3	85	174.9	-172.3	-92.1	0	0	0	114.7	D745 D747 P762 R775	D745-Y760 VanDerWaalsContact OD2-CA 3.29Å; D745-Y760 WeakPolarHBondContact OD2-CA 3.27Å; D745-Y760 PolarHBondContact OD2-N 2.65Å; D747-Y760 HydrophobicContact CB-CD2 4.1Å; D747-Y760 HydrophobicContact CB-CE2 4.38Å; Y760-P762 HydrophobicContact CD1-CG 4.34Å; Y760-P762 HydrophobicContact CE1-CG 3.76Å; Y760-P762 HydrophobicContact CE2-CG 4.07Å; Y760-R775 PolarHBondContact O-NH1 3.32Å; Y760-R775 PolarHBondContact O-NH2 2.6Å
761	N	96.1	Very high	94.9	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.032	36%	0.355	C	S	.	.			trans	-131.1	57.2	-172.6	74.1	-18.9	0	0	0	115.4	D747 D754 N755 C756 V759 A763 Q764 R775	D747-N761 WeakPolarHBondContact OD2-CA 3.32Å; D747-N761 PolarHBondContact OD2-N 3.04Å; D747-N761 PolarHBondContact OD2-OD1 2.82Å; D754-N761 PolarHBondContact OD1-OD1 2.75Å; N755-N761 PolarHBondContact OD1-ND2 2.53Å; C756-N761 WeakPolarHBondContact CB-ND2 3.48Å; C756-N761 PolarHBondContact SG-ND2 3.43Å; V759-N761 PolarHBondContact O-N 2.98Å; N761-A763 PolarHBondContact O-N 3.24Å; N761-Q764 PolarHBondContact ND2-NE2 3.09Å; N761-Q764 PolarHBondContact O-N 2.9Å; N761-Q764 PolarHBondContact OD1-NE2 3.01Å; N761-R775 HydrophobicContact CB-CB 4.13Å; N761-R775 HydrophobicContact CB-CG 3.88Å
762	P	95.7	Very high	95.1	Very high	60 Å²	60	70.7 Å²	70.7	39%	0.39	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	6.5	-159.9	-17.1	24.3	0	0	0	117.1	D747 Y760	D747-P762 HydrophobicContact CB-CG 4.31Å; D747-P762 VanDerWaalsContact CG-CG 3.42Å; D747-P762 WeakPolarHBondContact OD1-CA 3.35Å; D747-P762 VanDerWaalsContact OD1-CB 3.26Å; D747-P762 WeakPolarHBondContact OD1-CB 3.49Å; D747-P762 WeakPolarHBondContact OD1-CG 3.31Å; D747-P762 WeakPolarHBondContact OD2-CA 3.48Å; D747-P762 WeakPolarHBondContact OD2-CB 3.1Å; D747-P762 WeakPolarHBondContact OD2-CD 3.47Å; D747-P762 WeakPolarHBondContact OD2-CG 3.19Å; Y760-P762 HydrophobicContact CD1-CG 4.34Å; Y760-P762 HydrophobicContact CE1-CG 3.76Å; Y760-P762 HydrophobicContact CE2-CG 4.07Å
763	A	95.9	Very high	95.4	Very high	55 Å²	55	64.1 Å²	64.1	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-16.9	169.4	0	0	0	0	0	113.3	N761 Y765	N761-A763 PolarHBondContact O-N 3.24Å; A763-Y765 HydrophobicContact CB-CD1 4.25Å; A763-Y765 HydrophobicContact CB-CD2 3.78Å; A763-Y765 HydrophobicContact CB-CE1 4.02Å; A763-Y765 HydrophobicContact CB-CE2 3.54Å; A763-Y765 HydrophobicContact CB-CG 4.12Å; A763-Y765 PolarHBondContact O-N 2.69Å
764	Q	96.3	Very high	95.5	Very high	57 Å²	57	60.2 Å²	60.2	27%	0.266	30%	0.303	S	S	.	.			trans	46.7	61.1	-176.8	-65.7	-77.3	-65.7	0	0	110.4	I749 D754 N755 N761	I749-Q764 HydrophobicContact CG1-CG 4.34Å; D754-Q764 PolarHBondContact OD1-NE2 3.34Å; D754-Q764 PolarHBondContact OD2-NE2 3.09Å; N755-Q764 VanDerWaalsContact N-OE1 3.08Å; N755-Q764 PolarHBondContact OD1-NE2 3.03Å; N755-Q764 PolarHBondContact OD1-OE1 3.42Å; N761-Q764 PolarHBondContact ND2-NE2 3.09Å; N761-Q764 PolarHBondContact O-N 2.9Å; N761-Q764 PolarHBondContact OD1-NE2 3.01Å
765	Y	97.2	Very high	95.5	Very high	157 Å²	157	66.5 Å²	66.5	62%	0.616	33%	0.325	S	S	*	.			trans	-87.2	137.8	174.6	-66.6	-40	0	0	0	109.6	N755 A763 G773 D774	N755-Y765 PolarHBondContact ND2-O 3Å; N755-Y765 VanDerWaalsContact ND2-O 3.16Å; A763-Y765 HydrophobicContact CB-CD1 4.25Å; A763-Y765 HydrophobicContact CB-CD2 3.78Å; A763-Y765 HydrophobicContact CB-CE1 4.02Å; A763-Y765 HydrophobicContact CB-CE2 3.54Å; A763-Y765 HydrophobicContact CB-CG 4.12Å; A763-Y765 PolarHBondContact O-N 2.69Å; Y765-G773 CarbonylContact O-C 3.57Å; Y765-G773 WeakPolarHBondContact O-CA 3.04Å; Y765-D774 VanDerWaalsContact C-OD1 3.29Å; Y765-D774 WeakPolarHBondContact CB-OD2 3.41Å; Y765-D774 PolarHBondContact O-N 2.66Å
766	D	96.1	Very high	95.5	Very high	51 Å²	51	67.6 Å²	67.6	27%	0.273	33%	0.334	S	S	.	.			trans	-151.4	128.5	-179.2	134	38	0	0	0	104.3	N755 D768 R769 D774	N755-D766 WeakPolarHBondContact ND2-CB 3.4Å; D766-D768 PolarHBondContact OD1-N 2.67Å; D766-R769 WeakPolarHBondContact OD1-CA 3.47Å; D766-R769 WeakPolarHBondContact OD1-CG 3.48Å; D766-R769 PolarHBondContact OD1-N 3.42Å; D766-R769 WeakPolarHBondContact OD2-CG 3.38Å; D766-D774 VanDerWaalsContact CA-OD1 3.32Å; D766-D774 WeakPolarHBondContact CA-OD1 3.35Å; D766-D774 PolarHBondContact N-OD1 3.03Å
767	A	96.6	Very high	95.6	Very high	50 Å²	50	68 Å²	68	41%	0.413	34%	0.336	S	S	.	.	S	Bend	trans	-97.5	-37.5	-169	0	0	0	0	0	113.9	D774 V780	A767-D774 PolarHBondContact N-OD1 3.12Å; A767-V780 WeakPolarHBondContact CB-O 3.41Å
768	D	95.3	Very high	95.7	Very high	44 Å²	44	67.4 Å²	67.4	24%	0.235	33%	0.33	C	S	.	.	S	Bend	trans	-119.1	-25.7	-169.7	53	16.7	0	0	0	114.3	D766 F781 E782 A783	D766-D768 PolarHBondContact OD1-N 2.67Å; D768-F781 WeakPolarHBondContact OD2-CA 3.42Å; D768-E782 PolarHBondContact OD2-N 2.82Å; D768-A783 HydrophobicContact CB-CB 4.47Å; D768-A783 PolarHBondContact OD2-N 2.66Å
769	R	95.6	Very high	95.8	Very high	191 Å²	191	63 Å²	63	72%	0.721	32%	0.315	S	S	*	.			trans	83.7	63.1	171.2	-41.8	-162.4	-171.1	88.1	23.1	116.1	D766	D766-R769 WeakPolarHBondContact OD1-CA 3.47Å; D766-R769 WeakPolarHBondContact OD1-CG 3.48Å; D766-R769 PolarHBondContact OD1-N 3.42Å; D766-R769 WeakPolarHBondContact OD2-CG 3.38Å
770	D	94.2	Very high	95.9	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.048	31%	0.309	C	S	.	.	S	Bend	trans	-97	4	164.9	77	-20.2	0	0	0	113.9	V772 A783 N784 T785	D770-V772 VanDerWaalsContact C-N 3.34Å; D770-V772 WeakPolarHBondContact OD1-CA 3.39Å; D770-V772 WeakPolarHBondContact OD1-CB 3.48Å; D770-V772 PolarHBondContact OD1-N 3.11Å; D770-V772 WeakPolarHBondContact OD2-CG2 3.38Å; D770-A783 HydrophobicContact CB-CB 3.84Å; D770-N784 PolarHBondContact OD2-N 2.94Å; D770-T785 WeakPolarHBondContact O-CB 3.29Å; D770-T785 VanDerWaalsContact O-CG2 3.23Å; D770-T785 WeakPolarHBondContact O-CG2 3.49Å; D770-T785 PolarHBondContact O-OG1 2.91Å; D770-T785 PolarHBondContact OD2-N 3.34Å; D770-T785 VanDerWaalsContact OD2-N 3.13Å
771	D	93.6	Very high	95.9	Very high	137 Å²	137	63.9 Å²	63.9	73%	0.733	32%	0.32	S	S	*	.	S	Bend	trans	71.8	12	-173.2	-62.6	-48.1	0	0	0	115.6	N755	N755-D771 WeakPolarHBondContact CB-O 3.26Å
772	V	95.8	Very high	95.9	Very high	17 Å²	17	69.8 Å²	69.8	10%	0.103	35%	0.347	C	S	.	.			trans	-97.1	164.7	163.7	-166.4	0	0	0	0	109.4	N755 D770 C776 D777 T785 Q787	N755-V772 PolarHBondContact ND2-O 3.39Å; N755-V772 CarbonylContact O-C 3.52Å; N755-V772 WeakPolarHBondContact O-CA 3.34Å; D770-V772 VanDerWaalsContact C-N 3.34Å; D770-V772 WeakPolarHBondContact OD1-CA 3.39Å; D770-V772 WeakPolarHBondContact OD1-CB 3.48Å; D770-V772 PolarHBondContact OD1-N 3.11Å; D770-V772 WeakPolarHBondContact OD2-CG2 3.38Å; V772-C776 WeakPolarHBondContact CG1-SG 3.37Å; V772-D777 HydrophobicContact CB-CB 4.48Å; V772-D777 HydrophobicContact CG1-CB 3.93Å; V772-T785 HydrophobicContact CG2-CG2 4.47Å; V772-Q787 HydrophobicContact CG1-CG 4.18Å; V772-Q787 HydrophobicContact CG2-CG 4.09Å
773	G	96.6	Very high	95.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.351	C	S	.	.			trans	-117.5	152	-177.1	0	0	0	0	0	116.2	N755 C756 Y765 R775 C776 D777	N755-G773 VanDerWaalsContact CG-CA 3.48Å; N755-G773 WeakPolarHBondContact ND2-CA 3.23Å; N755-G773 PolarHBondContact O-N 3.38Å; C756-G773 VanDerWaalsContact SG-CA 3.51Å; C756-G773 PolarHBondContact SG-O 2.84Å; Y765-G773 CarbonylContact O-C 3.57Å; Y765-G773 WeakPolarHBondContact O-CA 3.04Å; G773-R775 PolarHBondContact O-N 2.6Å; G773-C776 PolarHBondContact O-N 3.3Å; G773-C776 PolarHBondContact O-SG 2.93Å; G773-D777 WeakPolarHBondContact O-CB 3.45Å; G773-D777 PolarHBondContact O-N 2.87Å
774	D	96.3	Very high	95.8	Very high	67 Å²	67	67.5 Å²	67.5	36%	0.358	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.2	-9	179.7	-80.8	34.7	0	0	0	117.5	Y765 D766 A767	Y765-D774 VanDerWaalsContact C-OD1 3.29Å; Y765-D774 WeakPolarHBondContact CB-OD2 3.41Å; Y765-D774 PolarHBondContact O-N 2.66Å; D766-D774 VanDerWaalsContact CA-OD1 3.32Å; D766-D774 WeakPolarHBondContact CA-OD1 3.35Å; D766-D774 PolarHBondContact N-OD1 3.03Å; A767-D774 PolarHBondContact N-OD1 3.12Å
775	R	96.2	Very high	95.5	Very high	148 Å²	148	69.4 Å²	69.4	56%	0.558	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-30.1	-174.8	-74.6	-135.8	-169.8	167.1	23.1	115.7	V759 Y760 N761 G773	V759-R775 HydrophobicContact CG1-CB 4.27Å; Y760-R775 PolarHBondContact O-NH1 3.32Å; Y760-R775 PolarHBondContact O-NH2 2.6Å; N761-R775 HydrophobicContact CB-CB 4.13Å; N761-R775 HydrophobicContact CB-CG 3.88Å; G773-R775 PolarHBondContact O-N 2.6Å
776	C	95.2	Very high	95.1	Very high	45 Å²	45	67.3 Å²	67.3	30%	0.304	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-22.8	178	56.9	0	0	0	0	111.2	N755 C756 V759 V772 G773 N778 Q787	N755-C776 PolarHBondContact O-SG 2.94Å; C756-C776 WeakPolarHBondContact CA-SG 3.44Å; C756-C776 HydrophobicContact CB-CB 3.67Å; C756-C776 WeakPolarHBondContact CB-SG 3.45Å; C756-C776 WeakPolarHBondContact SG-CB 3.04Å; C756-C776 PolarHBondContact SG-N 2.72Å; C756-C776 CovalentContact SG-SG 2.04Å; C756-C776 PolarHBondContact SG-SG 3.04Å; V759-C776 HydrophobicContact CB-CB 4.15Å; V759-C776 HydrophobicContact CG2-CB 3.69Å; V772-C776 WeakPolarHBondContact CG1-SG 3.37Å; G773-C776 PolarHBondContact O-N 3.3Å; G773-C776 PolarHBondContact O-SG 2.93Å; C776-N778 PolarHBondContact O-N 2.81Å; C776-Q787 PolarHBondContact O-OE1 3.07Å
777	D	96.6	Very high	94.9	Very high	12 Å²	12	67 Å²	67	6%	0.064	34%	0.344	C	S	.	.			trans	-62	119.3	176.3	-176.1	2.3	0	0	0	112.2	V772 G773 C779 V780 Q787	V772-D777 HydrophobicContact CB-CB 4.48Å; V772-D777 HydrophobicContact CG1-CB 3.93Å; G773-D777 WeakPolarHBondContact O-CB 3.45Å; G773-D777 PolarHBondContact O-N 2.87Å; D777-C779 VanDerWaalsContact C-N 3.31Å; D777-C779 WeakPolarHBondContact OD1-CA 3.39Å; D777-C779 PolarHBondContact OD1-N 2.94Å; D777-V780 HydrophobicContact CB-CG2 4.35Å; D777-V780 VanDerWaalsContact CG-N 3.3Å; D777-V780 VanDerWaalsContact O-CG2 3.31Å; D777-V780 WeakPolarHBondContact O-CG2 3.34Å; D777-V780 PolarHBondContact OD1-N 2.92Å; D777-V780 WeakPolarHBondContact OD2-CA 2.89Å; D777-V780 PolarHBondContact OD2-N 2.67Å; D777-V780 VanDerWaalsContact OD2-N 3.1Å; D777-Q787 VanDerWaalsContact CA-OE1 3.27Å; D777-Q787 PolarHBondContact OD1-NE2 2.82Å
778	N	96.1	Very high	94.7	Very high	29 Å²	29	67.5 Å²	67.5	16%	0.155	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.3	175.8	66.2	10.5	0	0	0	113.8	C776 N784 Q787 G796	C776-N778 PolarHBondContact O-N 2.81Å; N778-N784 PolarHBondContact OD1-ND2 3.16Å; N778-Q787 VanDerWaalsContact CG-OE1 3.28Å; N778-Q787 PolarHBondContact ND2-O 3.3Å; N778-Q787 PolarHBondContact OD1-OE1 3.41Å; N778-Q787 VanDerWaalsContact OD1-OE1 3.13Å; N778-G796 PolarHBondContact O-N 2.84Å
779	C	96.6	Very high	94.5	Very high	6 Å²	6	67 Å²	67	4%	0.041	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	37.6	-179.5	-78.3	0	0	0	0	115.1	D777 F781 E782 N784 G796 C799	D777-C779 VanDerWaalsContact C-N 3.31Å; D777-C779 WeakPolarHBondContact OD1-CA 3.39Å; D777-C779 PolarHBondContact OD1-N 2.94Å; C779-F781 PolarHBondContact O-N 3.03Å; C779-E782 PolarHBondContact O-N 3.04Å; C779-N784 WeakPolarHBondContact CB-OD1 3.37Å; C779-G796 WeakPolarHBondContact SG-CA 3.44Å; C779-G796 PolarHBondContact SG-N 3.45Å; C779-G796 VanDerWaalsContact SG-N 3.36Å; C779-G796 PolarHBondContact SG-O 2.91Å; C779-C799 WeakPolarHBondContact CA-SG 3Å; C779-C799 HydrophobicContact CB-CB 3.73Å; C779-C799 WeakPolarHBondContact CB-SG 3.44Å; C779-C799 WeakPolarHBondContact SG-CB 3.47Å; C779-C799 PolarHBondContact SG-N 3.25Å; C779-C799 CovalentContact SG-SG 2.04Å; C779-C799 PolarHBondContact SG-SG 2.84Å
780	V	96.6	Very high	94.3	Very high	41 Å²	41	60 Å²	60	25%	0.248	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-11.2	-11.5	171.3	-165.8	0	0	0	0	121.8	A767 D777	A767-V780 WeakPolarHBondContact CB-O 3.41Å; D777-V780 HydrophobicContact CB-CG2 4.35Å; D777-V780 VanDerWaalsContact CG-N 3.3Å; D777-V780 VanDerWaalsContact O-CG2 3.31Å; D777-V780 WeakPolarHBondContact O-CG2 3.34Å; D777-V780 PolarHBondContact OD1-N 2.92Å; D777-V780 WeakPolarHBondContact OD2-CA 2.89Å; D777-V780 PolarHBondContact OD2-N 2.67Å; D777-V780 VanDerWaalsContact OD2-N 3.1Å
781	F	96.1	Very high	94.2	Very high	159 Å²	159	62.4 Å²	62.4	70%	0.697	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-1.8	175.4	-50.9	-65.5	0	0	0	115.5	D768 C779	D768-F781 WeakPolarHBondContact OD2-CA 3.42Å; C779-F781 PolarHBondContact O-N 3.03Å
782	E	95.9	Very high	94.1	Very high	131 Å²	131	62.3 Å²	62.3	61%	0.612	33%	0.33	S	S	*	.	S	Bend	trans	-136.6	46.1	-174.3	-60.3	-71.2	174.5	0	0	113.9	D768 C779	D768-E782 PolarHBondContact OD2-N 2.82Å; C779-E782 PolarHBondContact O-N 3.04Å
783	A	95.4	Very high	94	Very high	58 Å²	58	65.9 Å²	65.9	48%	0.479	35%	0.349	S	S	.	.			trans	28.3	96.5	157.9	0	0	0	0	0	118.6	D768 D770	D768-A783 HydrophobicContact CB-CB 4.47Å; D768-A783 PolarHBondContact OD2-N 2.66Å; D770-A783 HydrophobicContact CB-CB 3.84Å
784	N	94.1	Very high	93.8	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.043	37%	0.374	C	S	.	.			trans	-145.4	79.5	-178.2	62.4	-39.7	0	0	0	111.8	D770 N778 C779 D786 Q787 A798	D770-N784 PolarHBondContact OD2-N 2.94Å; N778-N784 PolarHBondContact OD1-ND2 3.16Å; C779-N784 WeakPolarHBondContact CB-OD1 3.37Å; N784-D786 PolarHBondContact O-N 3.29Å; N784-Q787 WeakPolarHBondContact O-CA 3.29Å; N784-Q787 WeakPolarHBondContact O-CG 3.49Å; N784-Q787 PolarHBondContact O-N 3.3Å; N784-Q787 PolarHBondContact O-NE2 2.98Å; N784-Q787 PolarHBondContact OD1-NE2 3.27Å; N784-A798 HydrophobicContact CB-CB 3.6Å
785	T	90.5	Very high	93.8	Very high	97 Å²	97	70 Å²	70	60%	0.595	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.5	-176.8	-42.1	0	0	0	0	114.6	D770 V772	D770-T785 WeakPolarHBondContact O-CB 3.29Å; D770-T785 VanDerWaalsContact O-CG2 3.23Å; D770-T785 WeakPolarHBondContact O-CG2 3.49Å; D770-T785 PolarHBondContact O-OG1 2.91Å; D770-T785 PolarHBondContact OD2-N 3.34Å; D770-T785 VanDerWaalsContact OD2-N 3.13Å; V772-T785 HydrophobicContact CG2-CG2 4.47Å
786	D	87.1	Confident	93.8	Very high	113 Å²	113	63 Å²	63	60%	0.604	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.3	176.1	60.6	-55.6	0	0	0	113.4	N784 T788	N784-D786 PolarHBondContact O-N 3.29Å; D786-T788 PolarHBondContact O-N 3.09Å; D786-T788 VanDerWaalsContact O-N 3.14Å; D786-T788 WeakPolarHBondContact OD2-CB 3.44Å; D786-T788 PolarHBondContact OD2-OG1 2.95Å
787	Q	92.7	Very high	93.8	Very high	44 Å²	44	62.3 Å²	62.3	21%	0.206	35%	0.346	C	S	.	.			trans	55.2	27.1	176.8	-66.8	-75.2	-58.6	0	0	114.2	V772 C776 D777 N778 N784 D789	V772-Q787 HydrophobicContact CG1-CG 4.18Å; V772-Q787 HydrophobicContact CG2-CG 4.09Å; C776-Q787 PolarHBondContact O-OE1 3.07Å; D777-Q787 VanDerWaalsContact CA-OE1 3.27Å; D777-Q787 PolarHBondContact OD1-NE2 2.82Å; N778-Q787 VanDerWaalsContact CG-OE1 3.28Å; N778-Q787 PolarHBondContact ND2-O 3.3Å; N778-Q787 PolarHBondContact OD1-OE1 3.41Å; N778-Q787 VanDerWaalsContact OD1-OE1 3.13Å; N784-Q787 WeakPolarHBondContact O-CA 3.29Å; N784-Q787 WeakPolarHBondContact O-CG 3.49Å; N784-Q787 PolarHBondContact O-N 3.3Å; N784-Q787 PolarHBondContact O-NE2 2.98Å; N784-Q787 PolarHBondContact OD1-NE2 3.27Å; Q787-D789 PolarHBondContact O-N 2.04Å
788	T	91.7	Very high	93.7	Very high	61 Å²	61	64.2 Å²	64.2	37%	0.374	36%	0.364	S	S	.	.			trans	-56.5	133.1	178	-55.4	0	0	0	0	111.8	D786 G796 D797	D786-T788 PolarHBondContact O-N 3.09Å; D786-T788 VanDerWaalsContact O-N 3.14Å; D786-T788 WeakPolarHBondContact OD2-CB 3.44Å; D786-T788 PolarHBondContact OD2-OG1 2.95Å; T788-G796 WeakPolarHBondContact O-CA 3.32Å; T788-D797 PolarHBondContact O-N 2.94Å
789	D	92.6	Very high	93.7	Very high	33 Å²	33	64.9 Å²	64.9	18%	0.176	37%	0.37	C	S	.	.			trans	-142.4	100.1	-179.5	176	-10.3	0	0	0	106.8	Q787 N792 N793 G794 D797	Q787-D789 PolarHBondContact O-N 2.04Å; D789-N792 PolarHBondContact O-ND2 2.89Å; D789-N792 VanDerWaalsContact O-ND2 3.09Å; D789-N792 WeakPolarHBondContact OD1-CA 3.47Å; D789-N792 PolarHBondContact OD1-N 3.07Å; D789-N793 PolarHBondContact OD1-N 2.9Å; D789-G794 VanDerWaalsContact OD2-CA 3.24Å; D789-G794 WeakPolarHBondContact OD2-CA 3.45Å; D789-G794 PolarHBondContact OD2-N 3.16Å; D789-D797 WeakPolarHBondContact CA-OD1 3.37Å
790	T	91.4	Very high	93.6	Very high	44 Å²	44	65.1 Å²	65.1	27%	0.27	37%	0.373	S	S	.	.	S	Bend	trans	-72.5	-42.5	-168	-75.8	0	0	0	0	112.7	N792 D797 I803 D804	T790-N792 PolarHBondContact O-ND2 3.46Å; T790-D797 WeakPolarHBondContact CB-OD1 3.45Å; T790-D797 PolarHBondContact N-OD1 2.72Å; T790-D797 PolarHBondContact OG1-OD1 3.16Å; T790-D797 PolarHBondContact OG1-OD2 3.37Å; T790-I803 VanDerWaalsContact CB-O 3.32Å; T790-I803 WeakPolarHBondContact CB-O 3.34Å; T790-D804 HydrophobicContact CG2-CB 4.13Å
791	D	90.8	Very high	93.6	Very high	61 Å²	61	68 Å²	68	33%	0.326	39%	0.39	S	S	.	.	S	Bend	trans	-88.1	-8.5	177	88.5	-23.9	0	0	0	114.3	N793 I803 D804	D791-N793 VanDerWaalsContact CG-ND2 3.32Å; D791-N793 WeakPolarHBondContact OD1-CB 3.4Å; D791-N793 VanDerWaalsContact OD1-CG 3.24Å; D791-N793 PolarHBondContact OD1-N 2.87Å; D791-N793 PolarHBondContact OD1-ND2 2.8Å; D791-N793 PolarHBondContact OD2-ND2 2.93Å; D791-I803 PolarHBondContact N-O 2.99Å; D791-D804 WeakPolarHBondContact CB-O 3.35Å
792	N	92.2	Very high	93.6	Very high	134 Å²	134	62.2 Å²	62.2	72%	0.717	37%	0.367	S	S	*	.			trans	65.7	31.7	-178.8	-67.1	-122.4	0	0	0	113.5	D789 T790	D789-N792 PolarHBondContact O-ND2 2.89Å; D789-N792 VanDerWaalsContact O-ND2 3.09Å; D789-N792 WeakPolarHBondContact OD1-CA 3.47Å; D789-N792 PolarHBondContact OD1-N 3.07Å; T790-N792 PolarHBondContact O-ND2 3.46Å
793	N	93.1	Very high	93.6	Very high	92 Å²	92	56.3 Å²	56.3	49%	0.492	34%	0.339	S	S	.	.	S	Bend	trans	-81.2	-20	178.1	84.2	65.8	0	0	0	114.5	D789 D791 E795	D789-N793 PolarHBondContact OD1-N 2.9Å; D791-N793 VanDerWaalsContact CG-ND2 3.32Å; D791-N793 WeakPolarHBondContact OD1-CB 3.4Å; D791-N793 VanDerWaalsContact OD1-CG 3.24Å; D791-N793 PolarHBondContact OD1-N 2.87Å; D791-N793 PolarHBondContact OD1-ND2 2.8Å; D791-N793 PolarHBondContact OD2-ND2 2.93Å; N793-E795 WeakPolarHBondContact OD1-CB 3.49Å; N793-E795 PolarHBondContact OD1-N 2.82Å
794	G	93.1	Very high	93.5	Very high	51 Å²	51	54.1 Å²	54.1	53%	0.526	32%	0.319	S	S	.	.	S	Bend	trans	100.4	10.4	-176.7	0	0	0	0	0	115.8	D789	D789-G794 VanDerWaalsContact OD2-CA 3.24Å; D789-G794 WeakPolarHBondContact OD2-CA 3.45Å; D789-G794 PolarHBondContact OD2-N 3.16Å
795	E	96.1	Very high	93.6	Very high	104 Å²	104	55.3 Å²	55.3	49%	0.486	33%	0.333	S	S	.	.	S	Bend	trans	-120.3	113.1	168.9	-174.6	172.1	167.9	0	0	107.4	N793 A800	N793-E795 WeakPolarHBondContact OD1-CB 3.49Å; N793-E795 PolarHBondContact OD1-N 2.82Å; E795-A800 HydrophobicContact CG-CB 4.33Å
796	G	95.4	Very high	93.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.308	C	S	.	.			trans	-74.1	161.6	-167	0	0	0	0	0	115.5	N778 C779 T788 A798 C799 A800	N778-G796 PolarHBondContact O-N 2.84Å; C779-G796 WeakPolarHBondContact SG-CA 3.44Å; C779-G796 PolarHBondContact SG-N 3.45Å; C779-G796 VanDerWaalsContact SG-N 3.36Å; C779-G796 PolarHBondContact SG-O 2.91Å; T788-G796 WeakPolarHBondContact O-CA 3.32Å; G796-A798 PolarHBondContact O-N 3.15Å; G796-C799 PolarHBondContact O-N 2.81Å; G796-A800 WeakPolarHBondContact O-CB 3.4Å; G796-A800 PolarHBondContact O-N 2.88Å
797	D	95.6	Very high	94.2	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.16	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.1	-176.8	-74.5	24.5	0	0	0	113.9	T788 D789 T790 I803	T788-D797 PolarHBondContact O-N 2.94Å; D789-D797 WeakPolarHBondContact CA-OD1 3.37Å; T790-D797 WeakPolarHBondContact CB-OD1 3.45Å; T790-D797 PolarHBondContact N-OD1 2.72Å; T790-D797 PolarHBondContact OG1-OD1 3.16Å; T790-D797 PolarHBondContact OG1-OD2 3.37Å; D797-I803 HydrophobicContact CB-CG2 4.32Å
798	A	95.3	Very high	94.4	Very high	53 Å²	53	48.8 Å²	48.8	44%	0.438	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-25.2	-178	0	0	0	0	0	114	N784 G796	N784-A798 HydrophobicContact CB-CB 3.6Å; G796-A798 PolarHBondContact O-N 3.15Å
799	C	95	Very high	94.6	Very high	42 Å²	42	49.6 Å²	49.6	28%	0.284	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-23	-177.6	61.4	0	0	0	0	113.7	C779 G796	C779-C799 WeakPolarHBondContact CA-SG 3Å; C779-C799 HydrophobicContact CB-CB 3.73Å; C779-C799 WeakPolarHBondContact CB-SG 3.44Å; C779-C799 WeakPolarHBondContact SG-CB 3.47Å; C779-C799 PolarHBondContact SG-N 3.25Å; C779-C799 CovalentContact SG-SG 2.04Å; C779-C799 PolarHBondContact SG-SG 2.84Å; G796-C799 PolarHBondContact O-N 2.81Å
800	A	95.8	Very high	94.6	Very high	12 Å²	12	50.5 Å²	50.5	10%	0.099	32%	0.316	C	S	.	.			trans	-66.5	152.3	172.8	0	0	0	0	0	112.7	E795 G796 I803	E795-A800 HydrophobicContact CG-CB 4.33Å; G796-A800 WeakPolarHBondContact O-CB 3.4Å; G796-A800 PolarHBondContact O-N 2.88Å; A800-I803 HydrophobicContact CB-CG2 3.83Å
801	V	95.9	Very high	94.8	Very high	100 Å²	100	56.2 Å²	56.2	61%	0.606	34%	0.339	S	S	*	.	S	Bend	trans	-109.3	-1	-175.9	-62.5	0	0	0	0	113.8	L809 N810	V801-L809 HydrophobicContact CB-CD2 4.26Å; V801-L809 HydrophobicContact CG2-CD2 3.87Å; V801-L809 VanDerWaalsContact O-CA 3.31Å; V801-L809 WeakPolarHBondContact O-CA 3.44Å; V801-N810 PolarHBondContact O-N 2.82Å; V801-N810 VanDerWaalsContact O-N 3.09Å; V801-N810 PolarHBondContact O-OD1 2.86Å
802	D	95.8	Very high	95.1	Very high	39 Å²	39	58.5 Å²	58.5	21%	0.209	35%	0.351	C	S	.	.	S	Bend	trans	-165.7	93.4	-165.9	174	-18.4	0	0	0	101.2	G805 D806 G807 I808 L809 N810	D802-G805 VanDerWaalsContact OD1-CA 3.29Å; D802-G805 WeakPolarHBondContact OD1-CA 3.32Å; D802-G805 PolarHBondContact OD1-N 2.96Å; D802-D806 PolarHBondContact OD1-N 2.77Å; D802-G807 PolarHBondContact OD1-N 2.95Å; D802-G807 WeakPolarHBondContact OD2-CA 3.25Å; D802-G807 PolarHBondContact OD2-N 2.85Å; D802-I808 VanDerWaalsContact CG-O 3.27Å; D802-L809 HydrophobicContact CB-CD2 4.33Å; D802-N810 WeakPolarHBondContact CA-OD1 3.45Å; D802-N810 PolarHBondContact N-OD1 2.79Å; D802-N810 VanDerWaalsContact N-OD1 3.15Å
803	I	95.7	Very high	95.3	Very high	7 Å²	7	53 Å²	53	4%	0.036	32%	0.322	C	S	.	.	S	Bend	trans	-98.7	-19.1	-163	65.1	-177.4	0	0	0	113.8	T790 D791 D797 A800 N810 P816 Y817	T790-I803 VanDerWaalsContact CB-O 3.32Å; T790-I803 WeakPolarHBondContact CB-O 3.34Å; D791-I803 PolarHBondContact N-O 2.99Å; D797-I803 HydrophobicContact CB-CG2 4.32Å; A800-I803 HydrophobicContact CB-CG2 3.83Å; I803-N810 WeakPolarHBondContact CG2-ND2 3.47Å; I803-N810 PolarHBondContact N-OD1 2.6Å; I803-P816 WeakPolarHBondContact CD1-O 3.32Å; I803-P816 WeakPolarHBondContact CG1-O 3.2Å; I803-Y817 HydrophobicContact CD1-CD1 3.62Å; I803-Y817 HydrophobicContact CD1-CE1 3.38Å; I803-Y817 HydrophobicContact CD1-CG 4.32Å; I803-Y817 HydrophobicContact CG1-CD1 4.49Å
804	D	93.9	Very high	95.5	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.059	31%	0.305	C	S	.	.	S	Bend	trans	-99.1	-4.8	173.4	73.4	-6.9	0	0	0	113.2	T790 D791 D806 V818 Y819	T790-D804 HydrophobicContact CG2-CB 4.13Å; D791-D804 WeakPolarHBondContact CB-O 3.35Å; D804-D806 WeakPolarHBondContact OD1-CB 3.34Å; D804-D806 PolarHBondContact OD1-N 2.85Å; D804-D806 VanDerWaalsContact OD1-N 3.16Å; D804-V818 PolarHBondContact OD2-N 2.73Å; D804-Y819 WeakPolarHBondContact OD2-CA 3.47Å; D804-Y819 PolarHBondContact OD2-N 3.05Å
805	G	95.4	Very high	95.6	Very high	33 Å²	33	47.4 Å²	47.4	34%	0.34	28%	0.28	S	S	.	.	S	Bend	trans	78.2	15.7	173.2	0	0	0	0	0	114.8	D802	D802-G805 VanDerWaalsContact OD1-CA 3.29Å; D802-G805 WeakPolarHBondContact OD1-CA 3.32Å; D802-G805 PolarHBondContact OD1-N 2.96Å
806	D	95.5	Very high	95.6	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	27%	0.269	C	S	.	.	S	Bend	trans	-74.1	-22.7	-176.4	116	-35.6	0	0	0	113.9	D802 D804 I808 Y819 N820 V821	D802-D806 PolarHBondContact OD1-N 2.77Å; D804-D806 WeakPolarHBondContact OD1-CB 3.34Å; D804-D806 PolarHBondContact OD1-N 2.85Å; D804-D806 VanDerWaalsContact OD1-N 3.16Å; D806-I808 WeakPolarHBondContact OD1-CA 3.47Å; D806-I808 WeakPolarHBondContact OD1-CB 3.35Å; D806-I808 WeakPolarHBondContact OD1-CG1 3.4Å; D806-I808 PolarHBondContact OD1-N 2.92Å; D806-Y819 VanDerWaalsContact CA-CE2 3.45Å; D806-Y819 HydrophobicContact CB-CD2 3.58Å; D806-Y819 HydrophobicContact CB-CE2 3.83Å; D806-Y819 HydrophobicContact CB-CG 4.02Å; D806-N820 PolarHBondContact OD2-N 2.65Å; D806-V821 HydrophobicContact CB-CG2 3.83Å; D806-V821 WeakPolarHBondContact OD2-CA 3.17Å; D806-V821 PolarHBondContact OD2-N 2.86Å
807	G	95.5	Very high	95.5	Very high	56 Å²	56	51.8 Å²	51.8	58%	0.577	30%	0.298	S	S	*	.	S	Bend	trans	99.7	1.6	-178.8	0	0	0	0	0	115.2	D802	D802-G807 PolarHBondContact OD1-N 2.95Å; D802-G807 WeakPolarHBondContact OD2-CA 3.25Å; D802-G807 PolarHBondContact OD2-N 2.85Å
808	I	96.4	Very high	95.4	Very high	51 Å²	51	53.2 Å²	53.2	26%	0.262	31%	0.308	S	S	.	.	S	Bend	trans	-95	146	166.2	-52.2	-61.6	0	0	0	108.1	D802 D806 N812 D813 Q823	D802-I808 VanDerWaalsContact CG-O 3.27Å; D806-I808 WeakPolarHBondContact OD1-CA 3.47Å; D806-I808 WeakPolarHBondContact OD1-CB 3.35Å; D806-I808 WeakPolarHBondContact OD1-CG1 3.4Å; D806-I808 PolarHBondContact OD1-N 2.92Å; I808-N812 HydrophobicContact CG2-CB 4.34Å; I808-D813 HydrophobicContact CB-CB 4.47Å; I808-D813 HydrophobicContact CG2-CB 3.83Å; I808-Q823 HydrophobicContact CD1-CG 4.33Å; I808-Q823 HydrophobicContact CG1-CG 3.92Å
809	L	96.4	Very high	95.4	Very high	77 Å²	77	57.5 Å²	57.5	40%	0.403	31%	0.314	S	S	.	.			trans	-87.8	140.2	179.3	-58	176.6	0	0	0	109.9	V801 D802 E811 N812 D813	V801-L809 HydrophobicContact CB-CD2 4.26Å; V801-L809 HydrophobicContact CG2-CD2 3.87Å; V801-L809 VanDerWaalsContact O-CA 3.31Å; V801-L809 WeakPolarHBondContact O-CA 3.44Å; D802-L809 HydrophobicContact CB-CD2 4.33Å; L809-E811 HydrophobicContact CB-CG 4.4Å; L809-E811 PolarHBondContact O-N 2.93Å; L809-N812 PolarHBondContact O-N 3.02Å; L809-D813 PolarHBondContact O-N 3.28Å
810	N	93.4	Very high	95.5	Very high	52 Å²	52	55.7 Å²	55.7	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-30.1	-177.7	-51.1	-14.8	0	0	0	115.2	V801 D802 I803	V801-N810 PolarHBondContact O-N 2.82Å; V801-N810 VanDerWaalsContact O-N 3.09Å; V801-N810 PolarHBondContact O-OD1 2.86Å; D802-N810 WeakPolarHBondContact CA-OD1 3.45Å; D802-N810 PolarHBondContact N-OD1 2.79Å; D802-N810 VanDerWaalsContact N-OD1 3.15Å; I803-N810 WeakPolarHBondContact CG2-ND2 3.47Å; I803-N810 PolarHBondContact N-OD1 2.6Å
811	E	95.3	Very high	95.5	Very high	165 Å²	165	59 Å²	59	77%	0.771	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.1	178.9	53.9	141.1	-131.4	0	0	115.4	L809	L809-E811 HydrophobicContact CB-CG 4.4Å; L809-E811 PolarHBondContact O-N 2.93Å
812	N	96.2	Very high	95.5	Very high	108 Å²	108	58.3 Å²	58.3	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-0.7	178.9	-59.8	-91.4	0	0	0	112.8	I808 L809	I808-N812 HydrophobicContact CG2-CB 4.34Å; L809-N812 PolarHBondContact O-N 3.02Å
813	D	97.1	Very high	95.5	Very high	19 Å²	19	58.8 Å²	58.8	10%	0.102	31%	0.314	C	S	.	.			trans	-91.4	142.2	-175.3	-171.6	-7.3	0	0	0	111.4	I808 L809 C815 P816 Q823	I808-D813 HydrophobicContact CB-CB 4.47Å; I808-D813 HydrophobicContact CG2-CB 3.83Å; L809-D813 PolarHBondContact O-N 3.28Å; D813-C815 PolarHBondContact OD1-N 3.48Å; D813-P816 HydrophobicContact CB-CG 4.19Å; D813-P816 VanDerWaalsContact OD2-CA 3.25Å; D813-P816 WeakPolarHBondContact OD2-CA 2.99Å; D813-Q823 PolarHBondContact OD1-NE2 2.77Å
814	N	96.3	Very high	95.6	Very high	23 Å²	23	64.3 Å²	64.3	12%	0.123	34%	0.335	C	S	.	.	S	Bend	trans	-97.8	-7.8	173.5	72.6	-8.8	0	0	0	114.8	N820 Q823 R824 V831 G832 C835	N814-N820 PolarHBondContact OD1-ND2 3.37Å; N814-Q823 VanDerWaalsContact N-OE1 3.15Å; N814-Q823 PolarHBondContact OD1-OE1 3.35Å; N814-R824 PolarHBondContact ND2-O 3.45Å; N814-R824 VanDerWaalsContact ND2-O 3.1Å; N814-V831 WeakPolarHBondContact O-CA 3.5Å; N814-G832 VanDerWaalsContact CG-CA 3.44Å; N814-G832 WeakPolarHBondContact ND2-CA 3.39Å; N814-G832 PolarHBondContact O-N 2.53Å; N814-C835 PolarHBondContact O-SG 2.76Å; N814-C835 VanDerWaalsContact O-SG 3.41Å
815	C	96.4	Very high	95.8	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	35%	0.345	C	S	.	.			trans	-136.6	64.5	168	-71.2	0	0	0	0	113.3	D813 Y817 V818 N820 G832 C835	D813-C815 PolarHBondContact OD1-N 3.48Å; C815-Y817 PolarHBondContact O-N 2.88Å; C815-V818 HydrophobicContact CB-CB 4.27Å; C815-V818 PolarHBondContact O-N 2.95Å; C815-N820 WeakPolarHBondContact CB-ND2 3.5Å; C815-N820 PolarHBondContact SG-ND2 2.86Å; C815-G832 WeakPolarHBondContact SG-CA 3.38Å; C815-G832 PolarHBondContact SG-N 2.77Å; C815-G832 PolarHBondContact SG-O 3.02Å; C815-C835 WeakPolarHBondContact CA-SG 3.37Å; C815-C835 HydrophobicContact CB-CB 3.74Å; C815-C835 WeakPolarHBondContact CB-SG 3.29Å; C815-C835 WeakPolarHBondContact SG-CB 3.17Å; C815-C835 PolarHBondContact SG-N 3.23Å; C815-C835 CovalentContact SG-SG 2.03Å; C815-C835 PolarHBondContact SG-SG 3Å
816	P	95.9	Very high	95.9	Very high	38 Å²	38	68 Å²	68	25%	0.247	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-8.7	-174	-27.8	34.6	0	0	0	118.8	I803 D813	I803-P816 WeakPolarHBondContact CD1-O 3.32Å; I803-P816 WeakPolarHBondContact CG1-O 3.2Å; D813-P816 HydrophobicContact CB-CG 4.19Å; D813-P816 VanDerWaalsContact OD2-CA 3.25Å; D813-P816 WeakPolarHBondContact OD2-CA 2.99Å
817	Y	93.6	Very high	95.9	Very high	158 Å²	158	69.4 Å²	69.4	62%	0.62	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	7.8	179.8	-61.4	-84.8	0	0	0	112.9	I803 C815	I803-Y817 HydrophobicContact CD1-CD1 3.62Å; I803-Y817 HydrophobicContact CD1-CE1 3.38Å; I803-Y817 HydrophobicContact CD1-CG 4.32Å; I803-Y817 HydrophobicContact CG1-CD1 4.49Å; C815-Y817 PolarHBondContact O-N 2.88Å
818	V	93.5	Very high	95.9	Very high	60 Å²	60	75.9 Å²	75.9	36%	0.364	36%	0.364	S	S	.	.	S	Bend	trans	-148.1	92.4	-170.8	-169.6	0	0	0	0	112.2	D804 C815 N820 H834 C835	D804-V818 PolarHBondContact OD2-N 2.73Å; C815-V818 HydrophobicContact CB-CB 4.27Å; C815-V818 PolarHBondContact O-N 2.95Å; V818-N820 WeakPolarHBondContact O-CB 3.49Å; V818-N820 PolarHBondContact O-N 3.46Å; V818-N820 VanDerWaalsContact O-N 3.13Å; V818-H834 HydrophobicContact CG1-CB 4.28Å; V818-C835 HydrophobicContact CB-CB 4.09Å; V818-C835 HydrophobicContact CG2-CB 3.84Å
819	Y	95.3	Very high	95.9	Very high	143 Å²	143	74.4 Å²	74.4	56%	0.561	36%	0.356	S	S	*	.			trans	-31	104.1	-178.2	-170.7	-85.1	0	0	0	115.1	D804 D806 V821	D804-Y819 WeakPolarHBondContact OD2-CA 3.47Å; D804-Y819 PolarHBondContact OD2-N 3.05Å; D806-Y819 VanDerWaalsContact CA-CE2 3.45Å; D806-Y819 HydrophobicContact CB-CD2 3.58Å; D806-Y819 HydrophobicContact CB-CE2 3.83Å; D806-Y819 HydrophobicContact CB-CG 4.02Å; Y819-V821 HydrophobicContact CD1-CG2 4.28Å; Y819-V821 HydrophobicContact CE1-CG2 3.59Å; Y819-V821 HydrophobicContact CE2-CG2 4.29Å
820	N	95.5	Very high	95.9	Very high	4 Å²	4	73 Å²	73	2%	0.021	36%	0.361	C	S	.	.			trans	-144.6	57.9	-173.5	75.8	-27.4	0	0	0	115.3	D806 N814 C815 V818 D822 Q823 H834	D806-N820 PolarHBondContact OD2-N 2.65Å; N814-N820 PolarHBondContact OD1-ND2 3.37Å; C815-N820 WeakPolarHBondContact CB-ND2 3.5Å; C815-N820 PolarHBondContact SG-ND2 2.86Å; V818-N820 WeakPolarHBondContact O-CB 3.49Å; V818-N820 PolarHBondContact O-N 3.46Å; V818-N820 VanDerWaalsContact O-N 3.13Å; N820-D822 PolarHBondContact O-N 2.98Å; N820-Q823 WeakPolarHBondContact O-CA 3.39Å; N820-Q823 PolarHBondContact O-N 3.13Å; N820-Q823 PolarHBondContact OD1-NE2 3.03Å; N820-H834 HydrophobicContact CB-CB 3.82Å
821	V	95.7	Very high	96.1	Very high	81 Å²	81	71.7 Å²	71.7	49%	0.491	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-16.7	-174.2	-163.2	0	0	0	0	116.8	D806 Y819	D806-V821 HydrophobicContact CB-CG2 3.83Å; D806-V821 WeakPolarHBondContact OD2-CA 3.17Å; D806-V821 PolarHBondContact OD2-N 2.86Å; Y819-V821 HydrophobicContact CD1-CG2 4.28Å; Y819-V821 HydrophobicContact CE1-CG2 3.59Å; Y819-V821 HydrophobicContact CE2-CG2 4.29Å
822	D	96.1	Very high	96.2	Very high	87 Å²	87	63.9 Å²	63.9	47%	0.465	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.5	173.4	96	-31.9	0	0	0	114.4	N820 R824	N820-D822 PolarHBondContact O-N 2.98Å; D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 VanDerWaalsContact OD1-CB 3.3Å; D822-R824 WeakPolarHBondContact OD1-CB 3.14Å; D822-R824 PolarHBondContact OD1-N 3.1Å; D822-R824 IonicContact OD2-CZ 3.5Å; D822-R824 VanDerWaalsContact OD2-CZ 3.24Å; D822-R824 IonicContact OD2-NE 2.68Å; D822-R824 PolarHBondContact OD2-NE 3.22Å; D822-R824 IonicContact OD2-NH2 3.16Å; D822-R824 PolarHBondContact OD2-NH2 3.2Å
823	Q	96.5	Very high	96.1	Very high	49 Å²	49	60.5 Å²	60.5	23%	0.229	30%	0.3	C	S	.	.			trans	46.3	45.4	177.6	-69.4	-81.4	-52.1	0	0	111.7	I808 D813 N814 N820	I808-Q823 HydrophobicContact CD1-CG 4.33Å; I808-Q823 HydrophobicContact CG1-CG 3.92Å; D813-Q823 PolarHBondContact OD1-NE2 2.77Å; N814-Q823 VanDerWaalsContact N-OE1 3.15Å; N814-Q823 PolarHBondContact OD1-OE1 3.35Å; N820-Q823 WeakPolarHBondContact O-CA 3.39Å; N820-Q823 PolarHBondContact O-N 3.13Å; N820-Q823 PolarHBondContact OD1-NE2 3.03Å
824	R	97.9	Very high	96	Very high	123 Å²	123	64.6 Å²	64.6	46%	0.464	32%	0.318	S	S	.	.			trans	-72.5	135.2	-180	-162.5	-177.9	-54.7	159.1	14.8	110.6	N814 D822 G832 D833	N814-R824 PolarHBondContact ND2-O 3.45Å; N814-R824 VanDerWaalsContact ND2-O 3.1Å; D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 VanDerWaalsContact OD1-CB 3.3Å; D822-R824 WeakPolarHBondContact OD1-CB 3.14Å; D822-R824 PolarHBondContact OD1-N 3.1Å; D822-R824 IonicContact OD2-CZ 3.5Å; D822-R824 VanDerWaalsContact OD2-CZ 3.24Å; D822-R824 IonicContact OD2-NE 2.68Å; D822-R824 PolarHBondContact OD2-NE 3.22Å; D822-R824 IonicContact OD2-NH2 3.16Å; D822-R824 PolarHBondContact OD2-NH2 3.2Å; R824-G832 CarbonylContact O-C 3.54Å; R824-G832 WeakPolarHBondContact O-CA 3.21Å; R824-D833 HydrophobicContact CB-CB 4.3Å; R824-D833 WeakPolarHBondContact CD-OD2 3.38Å; R824-D833 HydrophobicContact CG-CB 4.42Å; R824-D833 WeakPolarHBondContact CG-OD2 3.45Å; R824-D833 PolarHBondContact O-N 3.47Å
825	D	97	Very high	96	Very high	50 Å²	50	65.7 Å²	65.7	27%	0.267	33%	0.327	S	S	.	.			trans	-143.6	100.5	176.4	160.4	17.6	0	0	0	105.8	R828 D833	D825-R828 WeakPolarHBondContact OD1-CA 3.39Å; D825-R828 PolarHBondContact OD1-N 2.89Å; D825-R828 WeakPolarHBondContact OD2-CA 3.45Å; D825-D833 VanDerWaalsContact CA-OD1 3.26Å; D825-D833 WeakPolarHBondContact CA-OD1 3.28Å; D825-D833 PolarHBondContact N-OD1 3.4Å
826	T	97.4	Very high	96	Very high	70 Å²	70	66.2 Å²	66.2	43%	0.429	33%	0.33	S	S	.	.	S	Bend	trans	-78.3	-38.9	-169.5	-81.5	0	0	0	0	112.7	D833 L840	T826-D833 WeakPolarHBondContact CB-OD1 3.47Å; T826-D833 WeakPolarHBondContact CB-OD2 3.17Å; T826-D833 PolarHBondContact N-OD1 2.85Å; T826-D833 PolarHBondContact OG1-OD1 3.15Å; T826-D833 PolarHBondContact OG1-OD2 3.31Å; T826-L840 HydrophobicContact CG2-CD2 3.98Å
827	D	96.1	Very high	96	Very high	42 Å²	42	66 Å²	66	23%	0.225	33%	0.326	C	S	.	.	S	Bend	trans	-105.4	-20.4	-175.4	76.9	36.9	0	0	0	115.7	D829 L840 E841 H842	D827-D829 WeakPolarHBondContact OD1-CB 3.33Å; D827-D829 PolarHBondContact OD1-N 3.48Å; D827-D829 VanDerWaalsContact OD1-N 3.14Å; D827-L840 VanDerWaalsContact OD2-C 3.22Å; D827-L840 PolarHBondContact OD2-N 3.3Å; D827-E841 PolarHBondContact OD2-N 2.97Å; D827-H842 WeakPolarHBondContact OD1-CA 3.38Å; D827-H842 WeakPolarHBondContact OD2-CA 3.49Å; D827-H842 PolarHBondContact OD2-N 3.36Å
828	R	96.8	Very high	96.1	Very high	192 Å²	192	58.5 Å²	58.5	73%	0.725	30%	0.298	S	S	*	.			trans	80.1	45.1	175.3	-50.1	-174.7	-168.8	121	14.2	116.9	D825	D825-R828 WeakPolarHBondContact OD1-CA 3.39Å; D825-R828 PolarHBondContact OD1-N 2.89Å; D825-R828 WeakPolarHBondContact OD2-CA 3.45Å
829	D	96.6	Very high	96.2	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.102	30%	0.295	C	S	.	.	S	Bend	trans	-82.5	-31.5	168.1	100.6	-29.4	0	0	0	113.1	D827 V831 H842 N843 P844	D827-D829 WeakPolarHBondContact OD1-CB 3.33Å; D827-D829 PolarHBondContact OD1-N 3.48Å; D827-D829 VanDerWaalsContact OD1-N 3.14Å; D829-V831 WeakPolarHBondContact OD1-CB 3.05Å; D829-V831 PolarHBondContact OD1-N 2.92Å; D829-H842 VanDerWaalsContact CA-CD2 3.5Å; D829-H842 WeakPolarHBondContact CA-CD2 2.98Å; D829-H842 HydrophobicContact CB-CB 3.91Å; D829-N843 WeakPolarHBondContact OD2-CA 3.43Å; D829-N843 PolarHBondContact OD2-N 3.19Å; D829-P844 HydrophobicContact CB-CG 3.71Å; D829-P844 WeakPolarHBondContact O-CG 3.35Å; D829-P844 WeakPolarHBondContact OD2-CA 3.25Å; D829-P844 WeakPolarHBondContact OD2-CD 3.31Å
830	G	95.2	Very high	96.1	Very high	49 Å²	49	57.6 Å²	57.6	51%	0.505	30%	0.302	S	S	.	.	S	Bend	trans	118.2	-2.9	179.8	0	0	0	0	0	115.6
831	V	97.4	Very high	96.1	Very high	24 Å²	24	63.5 Å²	63.5	15%	0.145	33%	0.329	C	S	.	.	S	Bend	trans	-99.6	153.7	170.9	-170.8	0	0	0	0	108.5	N814 D829 C835 D836 Q846	N814-V831 WeakPolarHBondContact O-CA 3.5Å; D829-V831 WeakPolarHBondContact OD1-CB 3.05Å; D829-V831 PolarHBondContact OD1-N 2.92Å; V831-C835 WeakPolarHBondContact CG1-SG 3.35Å; V831-D836 HydrophobicContact CB-CB 4.26Å; V831-D836 HydrophobicContact CG1-CB 3.87Å; V831-Q846 HydrophobicContact CG1-CG 4.32Å; V831-Q846 HydrophobicContact CG2-CG 3.85Å
832	G	96.9	Very high	96.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.328	C	S	.	.			trans	-92.8	151.4	-179.1	0	0	0	0	0	114.6	N814 C815 R824 H834 C835 D836	N814-G832 VanDerWaalsContact CG-CA 3.44Å; N814-G832 WeakPolarHBondContact ND2-CA 3.39Å; N814-G832 PolarHBondContact O-N 2.53Å; C815-G832 WeakPolarHBondContact SG-CA 3.38Å; C815-G832 PolarHBondContact SG-N 2.77Å; C815-G832 PolarHBondContact SG-O 3.02Å; R824-G832 CarbonylContact O-C 3.54Å; R824-G832 WeakPolarHBondContact O-CA 3.21Å; G832-H834 PolarHBondContact O-N 3.25Å; G832-C835 PolarHBondContact O-N 2.75Å; G832-D836 VanDerWaalsContact O-CB 3.3Å; G832-D836 WeakPolarHBondContact O-CB 3.12Å; G832-D836 PolarHBondContact O-N 3.48Å
833	D	95.8	Very high	96.1	Very high	37 Å²	37	60.7 Å²	60.7	20%	0.198	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-18.6	-179.4	-70.3	36.5	0	0	0	114.5	R824 D825 T826	R824-D833 HydrophobicContact CB-CB 4.3Å; R824-D833 WeakPolarHBondContact CD-OD2 3.38Å; R824-D833 HydrophobicContact CG-CB 4.42Å; R824-D833 WeakPolarHBondContact CG-OD2 3.45Å; R824-D833 PolarHBondContact O-N 3.47Å; D825-D833 VanDerWaalsContact CA-OD1 3.26Å; D825-D833 WeakPolarHBondContact CA-OD1 3.28Å; D825-D833 PolarHBondContact N-OD1 3.4Å; T826-D833 WeakPolarHBondContact CB-OD1 3.47Å; T826-D833 WeakPolarHBondContact CB-OD2 3.17Å; T826-D833 PolarHBondContact N-OD1 2.85Å; T826-D833 PolarHBondContact OG1-OD1 3.15Å; T826-D833 PolarHBondContact OG1-OD2 3.31Å
834	H	94.7	Very high	96.1	Very high	105 Å²	105	61.4 Å²	61.4	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18	-179.2	-82.2	-87.1	0	0	0	114.8	V818 N820 G832	V818-H834 HydrophobicContact CG1-CB 4.28Å; N820-H834 HydrophobicContact CB-CB 3.82Å; G832-H834 PolarHBondContact O-N 3.25Å
835	C	95	Very high	96	Very high	46 Å²	46	62.2 Å²	62.2	31%	0.311	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-7.7	-179.1	64.7	0	0	0	0	113.7	N814 C815 V818 V831 G832	N814-C835 PolarHBondContact O-SG 2.76Å; N814-C835 VanDerWaalsContact O-SG 3.41Å; C815-C835 WeakPolarHBondContact CA-SG 3.37Å; C815-C835 HydrophobicContact CB-CB 3.74Å; C815-C835 WeakPolarHBondContact CB-SG 3.29Å; C815-C835 WeakPolarHBondContact SG-CB 3.17Å; C815-C835 PolarHBondContact SG-N 3.23Å; C815-C835 CovalentContact SG-SG 2.03Å; C815-C835 PolarHBondContact SG-SG 3Å; V818-C835 HydrophobicContact CB-CB 4.09Å; V818-C835 HydrophobicContact CG2-CB 3.84Å; V831-C835 WeakPolarHBondContact CG1-SG 3.35Å; G832-C835 PolarHBondContact O-N 2.75Å
836	D	96.6	Very high	96	Very high	14 Å²	14	62 Å²	62	8%	0.075	33%	0.328	C	S	.	.			trans	-71.9	127.8	174.4	-178.3	5.7	0	0	0	111.4	V831 G832 C838 P839 N843 Q846	V831-D836 HydrophobicContact CB-CB 4.26Å; V831-D836 HydrophobicContact CG1-CB 3.87Å; G832-D836 VanDerWaalsContact O-CB 3.3Å; G832-D836 WeakPolarHBondContact O-CB 3.12Å; G832-D836 PolarHBondContact O-N 3.48Å; D836-C838 VanDerWaalsContact C-N 3.3Å; D836-C838 PolarHBondContact O-N 3.41Å; D836-C838 PolarHBondContact OD1-N 2.82Å; D836-C838 VanDerWaalsContact OD2-C 3.28Å; D836-P839 HydrophobicContact CB-CG 4.22Å; D836-P839 WeakPolarHBondContact O-CD 3.23Å; D836-P839 WeakPolarHBondContact O-CG 3.32Å; D836-P839 WeakPolarHBondContact OD2-CA 3.02Å; D836-N843 PolarHBondContact OD1-ND2 3.1Å; D836-N843 PolarHBondContact OD1-OD1 2.98Å; D836-Q846 PolarHBondContact OD1-NE2 3.48Å; D836-Q846 PolarHBondContact OD1-OE1 2.74Å
837	N	95.8	Very high	95.9	Very high	32 Å²	32	62 Å²	62	17%	0.171	33%	0.327	C	S	.	.	S	Bend	trans	-81.8	0.1	175.2	64.6	20.8	0	0	0	114.9	N843 Q846 R853 G855 C858	N837-N843 PolarHBondContact OD1-ND2 3.02Å; N837-Q846 PolarHBondContact ND2-O 2.96Å; N837-Q846 PolarHBondContact OD1-OE1 2.03Å; N837-R853 WeakPolarHBondContact CB-O 3.43Å; N837-G855 PolarHBondContact O-N 2.9Å; N837-G855 VanDerWaalsContact OD1-CA 3.24Å; N837-G855 WeakPolarHBondContact OD1-CA 3.32Å; N837-C858 PolarHBondContact O-SG 3Å
838	C	95.7	Very high	95.8	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.014	33%	0.327	C	S	.	.	S	Bend	trans	-146.1	70.8	164.6	-65.4	0	0	0	0	113.2	D836 L840 E841 N843 G855 C858	D836-C838 VanDerWaalsContact C-N 3.3Å; D836-C838 PolarHBondContact O-N 3.41Å; D836-C838 PolarHBondContact OD1-N 2.82Å; D836-C838 VanDerWaalsContact OD2-C 3.28Å; C838-L840 PolarHBondContact O-N 2.77Å; C838-E841 PolarHBondContact O-N 2.88Å; C838-N843 WeakPolarHBondContact CB-OD1 3.14Å; C838-N843 PolarHBondContact N-ND2 2.84Å; C838-N843 PolarHBondContact O-OD1 2.95Å; C838-G855 VanDerWaalsContact SG-C 3.58Å; C838-G855 WeakPolarHBondContact SG-CA 3.47Å; C838-G855 PolarHBondContact SG-N 3.32Å; C838-G855 VanDerWaalsContact SG-N 3.43Å; C838-G855 PolarHBondContact SG-O 2.84Å; C838-C858 WeakPolarHBondContact CA-SG 3.38Å; C838-C858 HydrophobicContact CB-CB 3.67Å; C838-C858 WeakPolarHBondContact CB-SG 3.42Å; C838-C858 WeakPolarHBondContact SG-CB 3.31Å; C838-C858 PolarHBondContact SG-N 3.18Å; C838-C858 CovalentContact SG-SG 2.03Å; C838-C858 PolarHBondContact SG-SG 2.8Å
839	P	95.4	Very high	95.6	Very high	47 Å²	47	56.2 Å²	56.2	31%	0.305	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	11.5	-173.4	-27.3	36.6	0	0	0	119.6	D836	D836-P839 HydrophobicContact CB-CG 4.22Å; D836-P839 WeakPolarHBondContact O-CD 3.23Å; D836-P839 WeakPolarHBondContact O-CG 3.32Å; D836-P839 WeakPolarHBondContact OD2-CA 3.02Å
840	L	94.6	Very high	95.4	Very high	136 Å²	136	56.2 Å²	56.2	71%	0.712	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	-7.9	-174	-57.9	173.6	0	0	0	114	T826 D827 C838	T826-L840 HydrophobicContact CG2-CD2 3.98Å; D827-L840 VanDerWaalsContact OD2-C 3.22Å; D827-L840 PolarHBondContact OD2-N 3.3Å; C838-L840 PolarHBondContact O-N 2.77Å
841	E	95.3	Very high	95.5	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	30%	0.3	S	S	*	.	S	Bend	trans	-140.7	38.1	-167.9	-77	-70.4	176.8	0	0	116.6	D827 C838 K857	D827-E841 PolarHBondContact OD2-N 2.97Å; C838-E841 PolarHBondContact O-N 2.88Å; E841-K857 HydrophobicContact CB-CB 4.31Å; E841-K857 WeakPolarHBondContact O-CB 3.48Å
842	H	96	Very high	95.3	Very high	102 Å²	102	54.7 Å²	54.7	47%	0.472	30%	0.298	S	S	.	.			trans	36	98	164	-179.9	-54.6	0	0	0	117.2	D827 D829	D827-H842 WeakPolarHBondContact OD1-CA 3.38Å; D827-H842 WeakPolarHBondContact OD2-CA 3.49Å; D827-H842 PolarHBondContact OD2-N 3.36Å; D829-H842 VanDerWaalsContact CA-CD2 3.5Å; D829-H842 WeakPolarHBondContact CA-CD2 2.98Å; D829-H842 HydrophobicContact CB-CB 3.91Å
843	N	96.3	Very high	95.2	Very high	7 Å²	7	59.1 Å²	59.1	4%	0.037	32%	0.315	C	S	.	.			trans	-145.6	59	-165.1	45.1	-61.7	0	0	0	113.3	D829 D836 N837 C838 D845 Q846 K857	D829-N843 WeakPolarHBondContact OD2-CA 3.43Å; D829-N843 PolarHBondContact OD2-N 3.19Å; D836-N843 PolarHBondContact OD1-ND2 3.1Å; D836-N843 PolarHBondContact OD1-OD1 2.98Å; N837-N843 PolarHBondContact OD1-ND2 3.02Å; C838-N843 WeakPolarHBondContact CB-OD1 3.14Å; C838-N843 PolarHBondContact N-ND2 2.84Å; C838-N843 PolarHBondContact O-OD1 2.95Å; N843-D845 PolarHBondContact O-N 2.77Å; N843-Q846 PolarHBondContact ND2-NE2 3.17Å; N843-Q846 WeakPolarHBondContact O-CA 3.39Å; N843-Q846 PolarHBondContact O-N 2.56Å; N843-Q846 PolarHBondContact O-NE2 2.93Å; N843-K857 HydrophobicContact CB-CB 4.41Å; N843-K857 HydrophobicContact CB-CG 3.67Å
844	P	95.8	Very high	95.2	Very high	64 Å²	64	58.4 Å²	58.4	42%	0.416	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.9	-165.9	-17.8	27.1	0	0	0	115.4	D829 Q846	D829-P844 HydrophobicContact CB-CG 3.71Å; D829-P844 WeakPolarHBondContact O-CG 3.35Å; D829-P844 WeakPolarHBondContact OD2-CA 3.25Å; D829-P844 WeakPolarHBondContact OD2-CD 3.31Å; P844-Q846 VanDerWaalsContact C-N 3.31Å
845	D	95.9	Very high	95.3	Very high	140 Å²	140	53.4 Å²	53.4	75%	0.749	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.1	174.5	-56.8	-60.8	0	0	0	112.3	N843 V847	N843-D845 PolarHBondContact O-N 2.77Å; D845-V847 HydrophobicContact CB-CG2 3.83Å; D845-V847 WeakPolarHBondContact O-CG2 3.48Å; D845-V847 PolarHBondContact O-N 2.87Å
846	Q	96.1	Very high	95.3	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.22	29%	0.291	C	S	.	.			trans	46.5	28.9	179	-67.1	-69.6	-40.6	0	0	115.1	V831 D836 N837 N843 P844 D848	V831-Q846 HydrophobicContact CG1-CG 4.32Å; V831-Q846 HydrophobicContact CG2-CG 3.85Å; D836-Q846 PolarHBondContact OD1-NE2 3.48Å; D836-Q846 PolarHBondContact OD1-OE1 2.74Å; N837-Q846 PolarHBondContact ND2-O 2.96Å; N837-Q846 PolarHBondContact OD1-OE1 2.03Å; N843-Q846 PolarHBondContact ND2-NE2 3.17Å; N843-Q846 WeakPolarHBondContact O-CA 3.39Å; N843-Q846 PolarHBondContact O-N 2.56Å; N843-Q846 PolarHBondContact O-NE2 2.93Å; P844-Q846 VanDerWaalsContact C-N 3.31Å; Q846-D848 PolarHBondContact O-N 3.45Å
847	V	95.6	Very high	95.2	Very high	68 Å²	68	59.6 Å²	59.6	41%	0.412	31%	0.312	S	S	.	.			trans	-67.9	117.2	-174.5	-178	0	0	0	0	110.7	D845 D856	D845-V847 HydrophobicContact CB-CG2 3.83Å; D845-V847 WeakPolarHBondContact O-CG2 3.48Å; D845-V847 PolarHBondContact O-N 2.87Å; V847-D856 HydrophobicContact CB-CB 4.47Å; V847-D856 VanDerWaalsContact O-CB 3.26Å; V847-D856 WeakPolarHBondContact O-CB 3.4Å; V847-D856 PolarHBondContact O-N 3.2Å
848	D	94.9	Very high	95.1	Very high	40 Å²	40	59.5 Å²	59.5	21%	0.214	31%	0.313	C	S	.	.			trans	-109.3	108.2	163.3	171.1	-3.5	0	0	0	107	Q846 D850 S851 D852 R853	Q846-D848 PolarHBondContact O-N 3.45Å; D848-D850 PolarHBondContact OD1-N 3.37Å; D848-D850 VanDerWaalsContact OD1-N 3.11Å; D848-S851 WeakPolarHBondContact OD1-CA 3.22Å; D848-S851 PolarHBondContact OD1-N 2.7Å; D848-S851 WeakPolarHBondContact OD2-CA 3.46Å; D848-D852 PolarHBondContact OD2-N 2.87Å; D848-R853 WeakPolarHBondContact OD2-CA 3.04Å; D848-R853 PolarHBondContact OD2-N 2.81Å
849	S	92.6	Very high	95.1	Very high	73 Å²	73	61.7 Å²	61.7	51%	0.51	33%	0.325	S	S	.	.	S	Bend	trans	-78.6	-15.1	-175.7	-71.8	0	0	0	0	114.9	D856	S849-D856 WeakPolarHBondContact CB-OD1 3.34Å; S849-D856 PolarHBondContact N-OD1 2.82Å; S849-D856 VanDerWaalsContact OG-CG 3.27Å; S849-D856 PolarHBondContact OG-OD1 3.06Å; S849-D856 PolarHBondContact OG-OD2 3.11Å; S849-D856 VanDerWaalsContact OG-OD2 3.09Å
850	D	93.1	Very high	95	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.107	33%	0.325	C	S	.	.	S	Bend	trans	-138.7	7.2	-171.8	121.4	-49.4	0	0	0	115.4	D848 S1033 S1034 S1035	D848-D850 PolarHBondContact OD1-N 3.37Å; D848-D850 VanDerWaalsContact OD1-N 3.11Å; D850-S1033 VanDerWaalsContact CG-CB 3.47Å; D850-S1033 VanDerWaalsContact CG-OG 3.26Å; D850-S1033 WeakPolarHBondContact O-CB 3.28Å; D850-S1033 WeakPolarHBondContact OD1-CB 3.45Å; D850-S1033 PolarHBondContact OD1-OG 2.97Å; D850-S1033 VanDerWaalsContact OD2-CB 3.31Å; D850-S1033 WeakPolarHBondContact OD2-CB 3.02Å; D850-S1033 PolarHBondContact OD2-OG 2.57Å; D850-S1034 VanDerWaalsContact C-OG 3.28Å; D850-S1034 WeakPolarHBondContact O-CA 3.11Å; D850-S1034 WeakPolarHBondContact O-CB 3.35Å; D850-S1034 PolarHBondContact O-N 3.15Å; D850-S1034 PolarHBondContact O-OG 3.49Å; D850-S1035 WeakPolarHBondContact OD2-CB 3.31Å; D850-S1035 PolarHBondContact OD2-OG 2.82Å
851	S	95.6	Very high	94.9	Very high	21 Å²	21	60.4 Å²	60.4	15%	0.147	32%	0.316	C	S	.	.	S	Bend	trans	71.2	34.6	161.8	-54	0	0	0	0	116.2	D848 Q963 Y1031	D848-S851 WeakPolarHBondContact OD1-CA 3.22Å; D848-S851 PolarHBondContact OD1-N 2.7Å; D848-S851 WeakPolarHBondContact OD2-CA 3.46Å; S851-Q963 PolarHBondContact O-NE2 3.03Å; S851-Y1031 WeakPolarHBondContact CB-OH 3.47Å; S851-Y1031 PolarHBondContact O-OH 3.47Å
852	D	94.3	Very high	94.8	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.102	32%	0.315	C	S	.	.	S	Bend	trans	-88.8	-10.3	171.2	70.7	-6.1	0	0	0	114.1	D848 I854 Q1032	D848-D852 PolarHBondContact OD2-N 2.87Å; D852-I854 WeakPolarHBondContact OD1-CA 3.44Å; D852-I854 WeakPolarHBondContact OD1-CB 3.48Å; D852-I854 PolarHBondContact OD1-N 2.92Å; D852-Q1032 WeakPolarHBondContact CA-O 3Å; D852-Q1032 WeakPolarHBondContact CB-O 3.07Å
853	R	94.4	Very high	94.8	Very high	94 Å²	94	56.7 Å²	56.7	36%	0.355	30%	0.3	S	S	.	.	S	Bend	trans	83	14.1	-170.9	-46.4	153.8	-62.7	-173.2	0.6	114.9	N837 D848 E1004	N837-R853 WeakPolarHBondContact CB-O 3.43Å; D848-R853 WeakPolarHBondContact OD2-CA 3.04Å; D848-R853 PolarHBondContact OD2-N 2.81Å; R853-E1004 IonicContact CZ-OE1 3.95Å; R853-E1004 VanDerWaalsContact CZ-OE1 3.28Å; R853-E1004 IonicContact NH1-OE1 3.47Å; R853-E1004 PolarHBondContact NH1-OE1 2.77Å; R853-E1004 IonicContact NH2-OE1 2.96Å; R853-E1004 PolarHBondContact NH2-OE1 2.8Å
854	I	95.9	Very high	94.7	Very high	22 Å²	22	61.1 Å²	61.1	11%	0.113	32%	0.322	C	S	.	.			trans	-111.2	124.8	175.6	-53.1	177.1	0	0	0	108.3	D852 C858 D859 Q870 L873	D852-I854 WeakPolarHBondContact OD1-CA 3.44Å; D852-I854 WeakPolarHBondContact OD1-CB 3.48Å; D852-I854 PolarHBondContact OD1-N 2.92Å; I854-C858 WeakPolarHBondContact CG2-SG 3.13Å; I854-D859 HydrophobicContact CG2-CB 4.01Å; I854-Q870 HydrophobicContact CD1-CG 3.99Å; I854-L873 HydrophobicContact CD1-CD1 3.88Å; I854-L873 HydrophobicContact CG1-CD1 4.3Å; I854-L873 HydrophobicContact CG2-CD1 4.49Å
855	G	95.7	Very high	94.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.31	C	S	.	.			trans	-70.6	153.1	-175.1	0	0	0	0	0	114.4	N837 C838 K857 C858 D859	N837-G855 PolarHBondContact O-N 2.9Å; N837-G855 VanDerWaalsContact OD1-CA 3.24Å; N837-G855 WeakPolarHBondContact OD1-CA 3.32Å; C838-G855 VanDerWaalsContact SG-C 3.58Å; C838-G855 WeakPolarHBondContact SG-CA 3.47Å; C838-G855 PolarHBondContact SG-N 3.32Å; C838-G855 VanDerWaalsContact SG-N 3.43Å; C838-G855 PolarHBondContact SG-O 2.84Å; G855-K857 PolarHBondContact O-N 3.01Å; G855-C858 PolarHBondContact O-N 3.36Å; G855-D859 WeakPolarHBondContact O-CB 3.06Å; G855-D859 PolarHBondContact O-N 3.05Å
856	D	95.2	Very high	94.7	Very high	72 Å²	72	56.5 Å²	56.5	39%	0.385	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-4.5	176.3	-96.5	36.6	0	0	0	116.2	V847 S849	V847-D856 HydrophobicContact CB-CB 4.47Å; V847-D856 VanDerWaalsContact O-CB 3.26Å; V847-D856 WeakPolarHBondContact O-CB 3.4Å; V847-D856 PolarHBondContact O-N 3.2Å; S849-D856 WeakPolarHBondContact CB-OD1 3.34Å; S849-D856 PolarHBondContact N-OD1 2.82Å; S849-D856 VanDerWaalsContact OG-CG 3.27Å; S849-D856 PolarHBondContact OG-OD1 3.06Å; S849-D856 PolarHBondContact OG-OD2 3.11Å; S849-D856 VanDerWaalsContact OG-OD2 3.09Å
857	K	95.2	Very high	94.7	Very high	118 Å²	118	54.2 Å²	54.2	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-38	177.4	-59.8	-56.9	176.3	-98.9	0	113.7	E841 N843 G855	E841-K857 HydrophobicContact CB-CB 4.31Å; E841-K857 WeakPolarHBondContact O-CB 3.48Å; N843-K857 HydrophobicContact CB-CB 4.41Å; N843-K857 HydrophobicContact CB-CG 3.67Å; G855-K857 PolarHBondContact O-N 3.01Å
858	C	93.7	Very high	94.7	Very high	29 Å²	29	52 Å²	52	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-20.3	-176.7	63.2	0	0	0	0	112.4	N837 C838 I854 G855 N860 Q870	N837-C858 PolarHBondContact O-SG 3Å; C838-C858 WeakPolarHBondContact CA-SG 3.38Å; C838-C858 HydrophobicContact CB-CB 3.67Å; C838-C858 WeakPolarHBondContact CB-SG 3.42Å; C838-C858 WeakPolarHBondContact SG-CB 3.31Å; C838-C858 PolarHBondContact SG-N 3.18Å; C838-C858 CovalentContact SG-SG 2.03Å; C838-C858 PolarHBondContact SG-SG 2.8Å; I854-C858 WeakPolarHBondContact CG2-SG 3.13Å; G855-C858 PolarHBondContact O-N 3.36Å; C858-N860 PolarHBondContact O-N 2.85Å; C858-N860 PolarHBondContact O-ND2 2.88Å; C858-Q870 PolarHBondContact O-NE2 3.34Å; C858-Q870 PolarHBondContact O-OE1 3.28Å
859	D	95.3	Very high	94.7	Very high	48 Å²	48	51.5 Å²	51.5	26%	0.257	27%	0.268	S	S	.	.			trans	-54.2	126.4	159.7	167.5	39.2	0	0	0	109	I854 G855 N861	I854-D859 HydrophobicContact CG2-CB 4.01Å; G855-D859 WeakPolarHBondContact O-CB 3.06Å; G855-D859 PolarHBondContact O-N 3.05Å; D859-N861 VanDerWaalsContact CG-ND2 3.31Å; D859-N861 WeakPolarHBondContact OD1-CA 3.4Å; D859-N861 PolarHBondContact OD1-N 2.75Å; D859-N861 PolarHBondContact OD1-ND2 2.95Å; D859-N861 PolarHBondContact OD2-ND2 3.33Å; D859-N861 VanDerWaalsContact OD2-ND2 3.13Å
860	N	92.6	Very high	94.8	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	25%	0.245	S	C	.	.			trans	-131.7	7.3	169	63.8	88.1	0	0	0	113.1	C858 Q862 Q870 N872	C858-N860 PolarHBondContact O-N 2.85Å; C858-N860 PolarHBondContact O-ND2 2.88Å; N860-Q862 PolarHBondContact O-N 3.38Å; N860-Q862 VanDerWaalsContact OD1-CB 3.25Å; N860-Q862 WeakPolarHBondContact OD1-CB 3.2Å; N860-Q862 PolarHBondContact OD1-NE2 2.87Å; N860-Q870 PolarHBondContact ND2-OE1 2.91Å; N860-N872 PolarHBondContact ND2-OD1 3.41Å
861	N	92.5	Very high	94.7	Very high	96 Å²	96	49.8 Å²	49.8	51%	0.513	25%	0.253	S	S	.	.			trans	53	20.7	175.8	-104.6	-115.1	0	0	0	114	D859 D863	D859-N861 VanDerWaalsContact CG-ND2 3.31Å; D859-N861 WeakPolarHBondContact OD1-CA 3.4Å; D859-N861 PolarHBondContact OD1-N 2.75Å; D859-N861 PolarHBondContact OD1-ND2 2.95Å; D859-N861 PolarHBondContact OD2-ND2 3.33Å; D859-N861 VanDerWaalsContact OD2-ND2 3.13Å; N861-D863 PolarHBondContact O-N 3.31Å
862	Q	94.2	Very high	94.4	Very high	124 Å²	124	53 Å²	53	58%	0.579	27%	0.268	S	S	*	.			trans	-95.1	88.5	173.9	-65.3	165.2	93.8	0	0	108.8	N860 Q870 N871	N860-Q862 PolarHBondContact O-N 3.38Å; N860-Q862 VanDerWaalsContact OD1-CB 3.25Å; N860-Q862 WeakPolarHBondContact OD1-CB 3.2Å; N860-Q862 PolarHBondContact OD1-NE2 2.87Å; Q862-Q870 CarbonylContact O-C 3.53Å; Q862-Q870 WeakPolarHBondContact O-CA 3.49Å; Q862-N871 VanDerWaalsContact C-ND2 3.3Å; Q862-N871 PolarHBondContact O-N 3.5Å; Q862-N871 PolarHBondContact O-ND2 2.94Å
863	D	95.6	Very high	94.3	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.15	29%	0.289	C	S	.	.			trans	-103.7	136.1	158.5	168	-1.4	0	0	0	105.6	N861 D865 E866 D867 G868 R1036	N861-D863 PolarHBondContact O-N 3.31Å; D863-D865 PolarHBondContact OD1-N 3.16Å; D863-E866 VanDerWaalsContact CG-CA 3.47Å; D863-E866 WeakPolarHBondContact OD1-CA 3.11Å; D863-E866 PolarHBondContact OD1-N 3.23Å; D863-E866 WeakPolarHBondContact OD2-CA 3.48Å; D863-D867 PolarHBondContact OD1-N 3.25Å; D863-D867 PolarHBondContact OD2-N 3.38Å; D863-G868 PolarHBondContact OD2-N 3.32Å; D863-G868 VanDerWaalsContact OD2-N 3.13Å; D863-R1036 IonicContact OD2-CZ 2.96Å; D863-R1036 IonicContact OD2-NH2 3.52Å; D863-R1036 PolarHBondContact OD2-NH2 2.93Å; D863-R1036 VanDerWaalsContact OD2-NH2 3.11Å
864	I	94.4	Very high	94.4	Very high	100 Å²	100	53 Å²	53	51%	0.513	28%	0.275	S	S	.	.	S	Bend	trans	-112.6	-23.2	-170.8	-165.7	169.6	0	0	0	114.5	N871 P877 Y878	I864-N871 WeakPolarHBondContact CG2-OD1 3.32Å; I864-N871 PolarHBondContact N-ND2 2.92Å; I864-P877 WeakPolarHBondContact CG2-O 3.46Å; I864-Y878 HydrophobicContact CD1-CE1 4.21Å; I864-Y878 HydrophobicContact CG2-CD1 4.19Å; I864-Y878 HydrophobicContact CG2-CE1 4.46Å
865	D	94.2	Very high	94.5	Very high	31 Å²	31	53.4 Å²	53.4	17%	0.166	28%	0.277	C	S	.	.	S	Bend	trans	-117.3	2.7	177.7	60	16.9	0	0	0	113.3	D863 Y878 I879 P880	D863-D865 PolarHBondContact OD1-N 3.16Å; D865-Y878 WeakPolarHBondContact OD2-CA 3.22Å; D865-I879 WeakPolarHBondContact OD2-CA 3.48Å; D865-I879 PolarHBondContact OD2-N 3.04Å; D865-P880 HydrophobicContact CB-CG 3.63Å; D865-P880 WeakPolarHBondContact OD2-CD 3.44Å
866	E	97.1	Very high	94.5	Very high	76 Å²	76	53.5 Å²	53.5	36%	0.355	28%	0.278	S	S	.	.	S	Bend	trans	76.5	30	164.3	-49.5	-94.4	-159.2	0	0	113.7	D863 Q1032 R1036 Y1145 A1146	D863-E866 VanDerWaalsContact CG-CA 3.47Å; D863-E866 WeakPolarHBondContact OD1-CA 3.11Å; D863-E866 PolarHBondContact OD1-N 3.23Å; D863-E866 WeakPolarHBondContact OD2-CA 3.48Å; E866-Q1032 PolarHBondContact O-NE2 3.35Å; E866-R1036 IonicContact OE2-CZ 3.18Å; E866-R1036 VanDerWaalsContact OE2-CZ 3.23Å; E866-R1036 IonicContact OE2-NH1 2.75Å; E866-R1036 PolarHBondContact OE2-NH1 3.36Å; E866-R1036 IonicContact OE2-NH2 3.37Å; E866-R1036 PolarHBondContact OE2-NH2 3.17Å; E866-Y1145 CarbonylContact O-C 3.44Å; E866-Y1145 WeakPolarHBondContact O-CA 3.48Å; E866-A1146 PolarHBondContact O-N 3.2Å
867	D	96.4	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-82.7	-28.5	-174.2	104.6	-22.1	0	0	0	115.1	D863 H869 P880 N881 A882 Q1032 A1146	D863-D867 PolarHBondContact OD1-N 3.25Å; D863-D867 PolarHBondContact OD2-N 3.38Å; D867-H869 IonicContact OD1-CD2 3.32Å; D867-H869 IonicContact OD1-CG 2.65Å; D867-H869 PolarHBondContact OD1-N 2.78Å; D867-P880 HydrophobicContact CB-CB 3.74Å; D867-P880 HydrophobicContact CB-CG 4.48Å; D867-N881 WeakPolarHBondContact OD2-CA 3.46Å; D867-N881 PolarHBondContact OD2-N 3.44Å; D867-A882 HydrophobicContact CB-CB 4.16Å; D867-A882 VanDerWaalsContact O-CB 3.27Å; D867-A882 WeakPolarHBondContact O-CB 3.14Å; D867-A882 WeakPolarHBondContact OD2-CA 3.08Å; D867-A882 PolarHBondContact OD2-N 2.67Å; D867-Q1032 PolarHBondContact O-NE2 2.88Å; D867-A1146 HydrophobicContact CB-CB 4.19Å
868	G	95.2	Very high	94.4	Very high	20 Å²	20	54.7 Å²	54.7	21%	0.206	28%	0.28	C	S	.	.	S	Bend	trans	129.7	-23.3	-179.1	0	0	0	0	0	114.6	D863 Q1032	D863-G868 PolarHBondContact OD2-N 3.32Å; D863-G868 VanDerWaalsContact OD2-N 3.13Å; G868-Q1032 VanDerWaalsContact CA-CD 3.44Å; G868-Q1032 VanDerWaalsContact CA-CG 3.49Å
869	H	96.3	Very high	94.4	Very high	30 Å²	30	57.2 Å²	57.2	14%	0.139	29%	0.291	C	S	.	.	S	Bend	trans	-98.8	136.5	-178.2	-63	-79.6	0	0	0	111.1	D867 D874 A882 Q884 E1004	D867-H869 IonicContact OD1-CD2 3.32Å; D867-H869 IonicContact OD1-CG 2.65Å; D867-H869 PolarHBondContact OD1-N 2.78Å; H869-D874 HydrophobicContact CB-CB 3.85Å; H869-A882 PolarHBondContact NE2-O 2.82Å; H869-Q884 WeakPolarHBondContact CD2-CG 3.48Å; H869-Q884 VanDerWaalsContact NE2-CG 3.34Å; H869-Q884 WeakPolarHBondContact NE2-CG 3.26Å; H869-E1004 IonicContact CE1-OE2 2.81Å; H869-E1004 PolarHBondContact CE1-OE2 2.89Å; H869-E1004 IonicContact NE2-OE2 2.73Å; H869-E1004 PolarHBondContact NE2-OE2 3.37Å
870	Q	94.7	Very high	94.5	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.033	29%	0.29	C	S	.	.			trans	-76.9	146.7	178.8	59	173.9	3.5	0	0	111.6	I854 C858 N860 Q862 N872 L873 D874	I854-Q870 HydrophobicContact CD1-CG 3.99Å; C858-Q870 PolarHBondContact O-NE2 3.34Å; C858-Q870 PolarHBondContact O-OE1 3.28Å; N860-Q870 PolarHBondContact ND2-OE1 2.91Å; Q862-Q870 CarbonylContact O-C 3.53Å; Q862-Q870 WeakPolarHBondContact O-CA 3.49Å; Q870-N872 PolarHBondContact NE2-ND2 3.44Å; Q870-N872 VanDerWaalsContact NE2-ND2 3.2Å; Q870-N872 PolarHBondContact O-N 3.4Å; Q870-L873 HydrophobicContact CG-CB 4.33Å; Q870-L873 HydrophobicContact CG-CD1 4.01Å; Q870-L873 HydrophobicContact CG-CG 4.1Å; Q870-L873 PolarHBondContact O-N 3.41Å; Q870-D874 WeakPolarHBondContact O-CB 3.42Å; Q870-D874 PolarHBondContact O-N 2.84Å
871	N	91.1	Very high	94.6	Very high	51 Å²	51	54 Å²	54	27%	0.273	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-11.9	-173.6	-83.1	-105.3	0	0	0	116.5	Q862 I864	Q862-N871 VanDerWaalsContact C-ND2 3.3Å; Q862-N871 PolarHBondContact O-N 3.5Å; Q862-N871 PolarHBondContact O-ND2 2.94Å; I864-N871 WeakPolarHBondContact CG2-OD1 3.32Å; I864-N871 PolarHBondContact N-ND2 2.92Å
872	N	88.3	Confident	94.8	Very high	88 Å²	88	49.5 Å²	49.5	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	0.2	-177.5	60.5	-89.3	0	0	0	114.3	N860 Q870	N860-N872 PolarHBondContact ND2-OD1 3.41Å; Q870-N872 PolarHBondContact NE2-ND2 3.44Å; Q870-N872 VanDerWaalsContact NE2-ND2 3.2Å; Q870-N872 PolarHBondContact O-N 3.4Å
873	L	93.3	Very high	94.9	Very high	100 Å²	100	45.3 Å²	45.3	52%	0.524	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-28.9	171.9	-62.6	179.1	0	0	0	111.3	I854 Q870	I854-L873 HydrophobicContact CD1-CD1 3.88Å; I854-L873 HydrophobicContact CG1-CD1 4.3Å; I854-L873 HydrophobicContact CG2-CD1 4.49Å; Q870-L873 HydrophobicContact CG-CB 4.33Å; Q870-L873 HydrophobicContact CG-CD1 4.01Å; Q870-L873 HydrophobicContact CG-CG 4.1Å; Q870-L873 PolarHBondContact O-N 3.41Å
874	D	96.4	Very high	95	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.07	23%	0.234	C	C	.	.			trans	-59.2	130.2	173.8	179.3	7.8	0	0	0	113	H869 Q870 C876 P877 Q884	H869-D874 HydrophobicContact CB-CB 3.85Å; Q870-D874 WeakPolarHBondContact O-CB 3.42Å; Q870-D874 PolarHBondContact O-N 2.84Å; D874-C876 WeakPolarHBondContact OD1-CA 3.44Å; D874-C876 PolarHBondContact OD1-N 3.26Å; D874-P877 HydrophobicContact CB-CG 4.29Å; D874-P877 WeakPolarHBondContact O-CD 3.42Å; D874-P877 WeakPolarHBondContact O-CG 3.43Å; D874-P877 WeakPolarHBondContact OD2-CA 3.46Å; D874-Q884 PolarHBondContact OD1-NE2 3.17Å; D874-Q884 PolarHBondContact OD1-OE1 2.88Å
875	N	96.6	Very high	95	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.16	21%	0.212	C	C	.	.	S	Bend	trans	-83.1	-11.1	176.8	69	11.6	0	0	0	114.2	N881 Q884 G893	N875-N881 PolarHBondContact OD1-ND2 2.89Å; N875-Q884 VanDerWaalsContact CG-OE1 3.29Å; N875-Q884 PolarHBondContact ND2-O 2.87Å; N875-Q884 PolarHBondContact OD1-OE1 3.34Å; N875-G893 WeakPolarHBondContact ND2-CA 3.13Å; N875-G893 WeakPolarHBondContact OD1-CA 3.04Å
876	C	96.4	Very high	95.1	Very high	3 Å²	3	41 Å²	41	2%	0.02	21%	0.211	C	C	.	.	S	Bend	trans	-133.2	62.6	171.1	-69.9	0	0	0	0	115.1	D874 Y878 I879 N881 G893 C896	D874-C876 WeakPolarHBondContact OD1-CA 3.44Å; D874-C876 PolarHBondContact OD1-N 3.26Å; C876-Y878 PolarHBondContact O-N 3.29Å; C876-I879 PolarHBondContact O-N 2.91Å; C876-N881 WeakPolarHBondContact CB-OD1 3.29Å; C876-G893 VanDerWaalsContact SG-CA 3.55Å; C876-G893 PolarHBondContact SG-N 2.95Å; C876-G893 PolarHBondContact SG-O 3.19Å; C876-C896 WeakPolarHBondContact CA-SG 3.42Å; C876-C896 HydrophobicContact CB-CB 3.69Å; C876-C896 WeakPolarHBondContact CB-SG 2.9Å; C876-C896 WeakPolarHBondContact SG-CB 3.34Å; C876-C896 PolarHBondContact SG-N 2.83Å; C876-C896 CovalentContact SG-SG 2.04Å; C876-C896 PolarHBondContact SG-SG 2.62Å
877	P	94.8	Very high	95.1	Very high	35 Å²	35	38.7 Å²	38.7	23%	0.227	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	12.9	-171.6	-29.8	38.1	0	0	0	122	I864 D874	I864-P877 WeakPolarHBondContact CG2-O 3.46Å; D874-P877 HydrophobicContact CB-CG 4.29Å; D874-P877 WeakPolarHBondContact O-CD 3.42Å; D874-P877 WeakPolarHBondContact O-CG 3.43Å; D874-P877 WeakPolarHBondContact OD2-CA 3.46Å
878	Y	93.3	Very high	94.9	Very high	180 Å²	180	40.8 Å²	40.8	71%	0.706	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-148	5.5	175.1	-54.8	-64.5	0	0	0	114	I864 D865 C876	I864-Y878 HydrophobicContact CD1-CE1 4.21Å; I864-Y878 HydrophobicContact CG2-CD1 4.19Å; I864-Y878 HydrophobicContact CG2-CE1 4.46Å; D865-Y878 WeakPolarHBondContact OD2-CA 3.22Å; C876-Y878 PolarHBondContact O-N 3.29Å
879	I	94.6	Very high	95	Very high	82 Å²	82	45.9 Å²	45.9	42%	0.421	23%	0.228	S	C	.	.	S	Bend	trans	-137.9	106.9	179.4	-59.2	172.5	0	0	0	109.8	D865 C876 N881 A895 C896	D865-I879 WeakPolarHBondContact OD2-CA 3.48Å; D865-I879 PolarHBondContact OD2-N 3.04Å; C876-I879 PolarHBondContact O-N 2.91Å; I879-N881 PolarHBondContact O-N 3.08Å; I879-N881 PolarHBondContact O-OD1 2.9Å; I879-A895 HydrophobicContact CG2-CB 4.35Å; I879-C896 HydrophobicContact CD1-CB 3.84Å
880	P	96.1	Very high	94.9	Very high	37 Å²	37	49.2 Å²	49.2	24%	0.24	25%	0.246	C	C	.	.			trans	-55.5	122.2	-174	-31.5	36.6	0	0	0	115.1	D865 D867 A1146	D865-P880 HydrophobicContact CB-CG 3.63Å; D865-P880 WeakPolarHBondContact OD2-CD 3.44Å; D867-P880 HydrophobicContact CB-CB 3.74Å; D867-P880 HydrophobicContact CB-CG 4.48Å; P880-A1146 HydrophobicContact CB-CB 3.65Å; P880-A1146 HydrophobicContact CG-CB 3.84Å
881	N	96.3	Very high	94.9	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.271	C	S	.	.			trans	-146.9	65.8	179.2	66.7	-41.6	0	0	0	109.5	D867 N875 C876 I879 N883 Q884 A895 S1006	D867-N881 WeakPolarHBondContact OD2-CA 3.46Å; D867-N881 PolarHBondContact OD2-N 3.44Å; N875-N881 PolarHBondContact OD1-ND2 2.89Å; C876-N881 WeakPolarHBondContact CB-OD1 3.29Å; I879-N881 PolarHBondContact O-N 3.08Å; I879-N881 PolarHBondContact O-OD1 2.9Å; N881-N883 PolarHBondContact O-N 3.5Å; N881-Q884 WeakPolarHBondContact O-CA 3.09Å; N881-Q884 PolarHBondContact O-N 2.88Å; N881-Q884 PolarHBondContact O-NE2 2.84Å; N881-Q884 PolarHBondContact OD1-NE2 2.91Å; N881-Q884 VanDerWaalsContact OD1-NE2 3.1Å; N881-A895 HydrophobicContact CB-CB 3.44Å; N881-A895 VanDerWaalsContact CB-CB 3.44Å; N881-S1006 WeakPolarHBondContact CA-OG 3.34Å
882	A	96.7	Very high	95.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.6	-168	0	0	0	0	0	114.9	D867 H869 E1004 S1006 G1148	D867-A882 HydrophobicContact CB-CB 4.16Å; D867-A882 VanDerWaalsContact O-CB 3.27Å; D867-A882 WeakPolarHBondContact O-CB 3.14Å; D867-A882 WeakPolarHBondContact OD2-CA 3.08Å; D867-A882 PolarHBondContact OD2-N 2.67Å; H869-A882 PolarHBondContact NE2-O 2.82Å; A882-E1004 VanDerWaalsContact O-CB 3.29Å; A882-E1004 WeakPolarHBondContact O-CB 3.31Å; A882-S1006 PolarHBondContact N-OG 2.98Å; A882-S1006 VanDerWaalsContact N-OG 3.14Å; A882-G1148 VanDerWaalsContact CB-N 3.34Å
883	N	95.9	Very high	95.5	Very high	37 Å²	37	47.9 Å²	47.9	20%	0.198	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.8	172.7	66	-65.2	0	0	0	114.6	N881 A885 E1004 S1006	N881-N883 PolarHBondContact O-N 3.5Å; N883-A885 VanDerWaalsContact ND2-CB 3.35Å; N883-A885 WeakPolarHBondContact ND2-CB 3.13Å; N883-A885 PolarHBondContact O-N 2.79Å; N883-E1004 HydrophobicContact CB-CB 4.3Å; N883-E1004 VanDerWaalsContact CB-O 3.23Å; N883-E1004 WeakPolarHBondContact CB-O 3.19Å; N883-S1006 WeakPolarHBondContact OD1-CB 3.34Å; N883-S1006 PolarHBondContact OD1-OG 2.97Å
884	Q	96.3	Very high	95.7	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	23%	0.231	C	C	.	.			trans	47.7	23.7	175.3	-66.6	-75.2	-64.4	0	0	115.9	H869 D874 N875 N881 D886	H869-Q884 WeakPolarHBondContact CD2-CG 3.48Å; H869-Q884 VanDerWaalsContact NE2-CG 3.34Å; H869-Q884 WeakPolarHBondContact NE2-CG 3.26Å; D874-Q884 PolarHBondContact OD1-NE2 3.17Å; D874-Q884 PolarHBondContact OD1-OE1 2.88Å; N875-Q884 VanDerWaalsContact CG-OE1 3.29Å; N875-Q884 PolarHBondContact ND2-O 2.87Å; N875-Q884 PolarHBondContact OD1-OE1 3.34Å; N881-Q884 WeakPolarHBondContact O-CA 3.09Å; N881-Q884 PolarHBondContact O-N 2.88Å; N881-Q884 PolarHBondContact O-NE2 2.84Å; N881-Q884 PolarHBondContact OD1-NE2 2.91Å; N881-Q884 VanDerWaalsContact OD1-NE2 3.1Å; Q884-D886 PolarHBondContact O-N 2.74Å
885	A	96.1	Very high	95.6	Very high	7 Å²	7	45.9 Å²	45.9	6%	0.058	25%	0.245	C	C	.	.			trans	-57.4	134.9	-177.6	0	0	0	0	0	111.8	N883 G893 D894	N883-A885 VanDerWaalsContact ND2-CB 3.35Å; N883-A885 WeakPolarHBondContact ND2-CB 3.13Å; N883-A885 PolarHBondContact O-N 2.79Å; A885-G893 CarbonylContact O-C 3.53Å; A885-G893 WeakPolarHBondContact O-CA 3.12Å; A885-D894 WeakPolarHBondContact CB-OD2 3.48Å; A885-D894 PolarHBondContact O-N 3.08Å
886	D	96.4	Very high	95.5	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.248	C	C	.	.			trans	-151.8	87.7	-173.3	177.8	-12.2	0	0	0	104.3	Q884 K889 D890 G891 K892 D894	Q884-D886 PolarHBondContact O-N 2.74Å; D886-K889 WeakPolarHBondContact O-CG 3.44Å; D886-K889 WeakPolarHBondContact OD1-CA 3.33Å; D886-K889 PolarHBondContact OD1-N 2.81Å; D886-D890 PolarHBondContact OD1-N 3.45Å; D886-G891 WeakPolarHBondContact OD2-CA 3.38Å; D886-G891 PolarHBondContact OD2-N 2.81Å; D886-G891 VanDerWaalsContact OD2-N 3.09Å; D886-K892 PolarHBondContact OD2-N 3.23Å; D886-D894 WeakPolarHBondContact CA-OD1 3.5Å; D886-D894 PolarHBondContact N-OD1 2.77Å
887	H	95.2	Very high	95.5	Very high	26 Å²	26	47 Å²	47	12%	0.12	25%	0.253	C	S	.	.	S	Bend	trans	-72	-39.3	-168.2	-78.5	72.7	0	0	0	112.6	D894 L914 F952	H887-D894 IonicContact CE1-OD2 3.71Å; H887-D894 PolarHBondContact CE1-OD2 3.33Å; H887-D894 IonicContact CG-OD1 2.77Å; H887-D894 PolarHBondContact N-OD1 2.04Å; H887-D894 VanDerWaalsContact N-OD1 3.11Å; H887-D894 VanDerWaalsContact ND1-CG 3.28Å; H887-D894 IonicContact ND1-OD1 2.7Å; H887-D894 PolarHBondContact ND1-OD1 3.3Å; H887-D894 VanDerWaalsContact ND1-OD1 3.08Å; H887-D894 IonicContact ND1-OD2 2.92Å; H887-D894 PolarHBondContact ND1-OD2 2.88Å; H887-L914 HydrophobicContact CB-CD2 4.45Å; H887-F952 AromaticContact CD2-CD1 3.38Å; H887-F952 WeakPolarHBondContact CD2-CD1 3.42Å; H887-F952 AromaticContact CG-CD1 3.85Å; H887-F952 AromaticContact NE2-CD1 3.51Å
888	D	93.9	Very high	95.5	Very high	44 Å²	44	52 Å²	52	24%	0.235	27%	0.273	C	S	.	.	S	Bend	trans	-84.5	-20.9	179	71.2	35.2	0	0	0	115.1	D890 D900 N902	D888-D890 WeakPolarHBondContact OD1-CB 3.22Å; D888-D890 PolarHBondContact OD1-N 3.19Å; D888-D900 PolarHBondContact N-O 2.92Å; D888-N902 HydrophobicContact CB-CB 4.06Å; D888-N902 VanDerWaalsContact OD2-CB 3.29Å; D888-N902 WeakPolarHBondContact OD2-CB 3.42Å; D888-N902 PolarHBondContact OD2-N 2.78Å; D888-N902 PolarHBondContact OD2-ND2 2.92Å
889	K	95.7	Very high	95.7	Very high	128 Å²	128	45.2 Å²	45.2	56%	0.557	25%	0.249	S	C	*	.			trans	72.1	34.3	177.6	-45.8	-166.1	-178.9	-151.6	0	114.1	D886 G891 F952 E953	D886-K889 WeakPolarHBondContact O-CG 3.44Å; D886-K889 WeakPolarHBondContact OD1-CA 3.33Å; D886-K889 PolarHBondContact OD1-N 2.81Å; K889-G891 VanDerWaalsContact C-N 3.32Å; K889-F952 VanDerWaalsContact CE-CZ 3.42Å; K889-E953 IonicContact NZ-OE1 2.67Å; K889-E953 PolarHBondContact NZ-OE1 2.79Å
890	D	95.1	Very high	95.7	Very high	100 Å²	100	41.7 Å²	41.7	54%	0.535	23%	0.231	S	C	.	.	S	Bend	trans	-67.1	-26.8	166.3	159.5	-75	0	0	0	112.6	D886 D888 K892	D886-D890 PolarHBondContact OD1-N 3.45Å; D888-D890 WeakPolarHBondContact OD1-CB 3.22Å; D888-D890 PolarHBondContact OD1-N 3.19Å; D890-K892 WeakPolarHBondContact OD1-CB 3.46Å; D890-K892 IonicContact OD1-NZ 2.62Å
891	G	94.3	Very high	95.7	Very high	53 Å²	53	40.7 Å²	40.7	55%	0.546	22%	0.223	S	C	.	.	S	Bend	trans	99.3	26.3	-178.2	0	0	0	0	0	113.9	D886 K889	D886-G891 WeakPolarHBondContact OD2-CA 3.38Å; D886-G891 PolarHBondContact OD2-N 2.81Å; D886-G891 VanDerWaalsContact OD2-N 3.09Å; K889-G891 VanDerWaalsContact C-N 3.32Å
892	K	96.2	Very high	95.8	Very high	65 Å²	65	44.7 Å²	44.7	28%	0.283	25%	0.245	S	C	.	.	S	Bend	trans	-141	124.7	176.1	-178.8	173.1	80.8	-61.1	0	107.4	D886 D890 C896 D897	D886-K892 PolarHBondContact OD2-N 3.23Å; D890-K892 WeakPolarHBondContact OD1-CB 3.46Å; D890-K892 IonicContact OD1-NZ 2.62Å; K892-C896 VanDerWaalsContact CG-SG 3.6Å; K892-D897 WeakPolarHBondContact CE-OD1 3.43Å; K892-D897 WeakPolarHBondContact CE-OD2 3.13Å; K892-D897 IonicContact NZ-OD1 2.7Å; K892-D897 PolarHBondContact NZ-OD1 3.32Å; K892-D897 IonicContact NZ-OD2 3.24Å; K892-D897 PolarHBondContact NZ-OD2 2.91Å
893	G	96.3	Very high	95.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.			trans	-74.7	151.8	-171.6	0	0	0	0	0	114	N875 C876 A885 A895 C896 D897	N875-G893 WeakPolarHBondContact ND2-CA 3.13Å; N875-G893 WeakPolarHBondContact OD1-CA 3.04Å; C876-G893 VanDerWaalsContact SG-CA 3.55Å; C876-G893 PolarHBondContact SG-N 2.95Å; C876-G893 PolarHBondContact SG-O 3.19Å; A885-G893 CarbonylContact O-C 3.53Å; A885-G893 WeakPolarHBondContact O-CA 3.12Å; G893-A895 PolarHBondContact O-N 2.89Å; G893-C896 PolarHBondContact O-N 2.83Å; G893-C896 PolarHBondContact O-SG 2.87Å; G893-D897 PolarHBondContact O-N 2.85Å; G893-D897 VanDerWaalsContact O-N 3.09Å
894	D	96.3	Very high	95.7	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-47.6	-41.3	-177.3	-41.5	-27.8	0	0	0	112	A885 D886 H887 C896 D897 D900	A885-D894 WeakPolarHBondContact CB-OD2 3.48Å; A885-D894 PolarHBondContact O-N 3.08Å; D886-D894 WeakPolarHBondContact CA-OD1 3.5Å; D886-D894 PolarHBondContact N-OD1 2.77Å; H887-D894 IonicContact CE1-OD2 3.71Å; H887-D894 PolarHBondContact CE1-OD2 3.33Å; H887-D894 IonicContact CG-OD1 2.77Å; H887-D894 PolarHBondContact N-OD1 2.04Å; H887-D894 VanDerWaalsContact N-OD1 3.11Å; H887-D894 VanDerWaalsContact ND1-CG 3.28Å; H887-D894 IonicContact ND1-OD1 2.7Å; H887-D894 PolarHBondContact ND1-OD1 3.3Å; H887-D894 VanDerWaalsContact ND1-OD1 3.08Å; H887-D894 IonicContact ND1-OD2 2.92Å; H887-D894 PolarHBondContact ND1-OD2 2.88Å; D894-C896 PolarHBondContact O-N 2.89Å; D894-C896 VanDerWaalsContact O-N 3.07Å; D894-D897 PolarHBondContact O-N 2.94Å; D894-D900 WeakPolarHBondContact CA-OD1 3.5Å
895	A	94.9	Very high	95.7	Very high	45 Å²	45	47 Å²	47	37%	0.372	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63	-19.5	-176.5	0	0	0	0	0	114.8	I879 N881 G893	I879-A895 HydrophobicContact CG2-CB 4.35Å; N881-A895 HydrophobicContact CB-CB 3.44Å; N881-A895 VanDerWaalsContact CB-CB 3.44Å; G893-A895 PolarHBondContact O-N 2.89Å
896	C	94.8	Very high	95.6	Very high	34 Å²	34	48.8 Å²	48.8	23%	0.23	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-120.3	7.4	172.6	68.7	0	0	0	0	113.6	C876 I879 K892 G893 D894	C876-C896 WeakPolarHBondContact CA-SG 3.42Å; C876-C896 HydrophobicContact CB-CB 3.69Å; C876-C896 WeakPolarHBondContact CB-SG 2.9Å; C876-C896 WeakPolarHBondContact SG-CB 3.34Å; C876-C896 PolarHBondContact SG-N 2.83Å; C876-C896 CovalentContact SG-SG 2.04Å; C876-C896 PolarHBondContact SG-SG 2.62Å; I879-C896 HydrophobicContact CD1-CB 3.84Å; K892-C896 VanDerWaalsContact CG-SG 3.6Å; G893-C896 PolarHBondContact O-N 2.83Å; G893-C896 PolarHBondContact O-SG 2.87Å; D894-C896 PolarHBondContact O-N 2.89Å; D894-C896 VanDerWaalsContact O-N 3.07Å
897	D	96.3	Very high	95.4	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.112	29%	0.285	C	S	.	.			trans	-87.9	175.5	170.6	-136.9	-26.4	0	0	0	113.3	K892 G893 D894	K892-D897 WeakPolarHBondContact CE-OD1 3.43Å; K892-D897 WeakPolarHBondContact CE-OD2 3.13Å; K892-D897 IonicContact NZ-OD1 2.7Å; K892-D897 PolarHBondContact NZ-OD1 3.32Å; K892-D897 IonicContact NZ-OD2 3.24Å; K892-D897 PolarHBondContact NZ-OD2 2.91Å; G893-D897 PolarHBondContact O-N 2.85Å; G893-D897 VanDerWaalsContact O-N 3.09Å; D894-D897 PolarHBondContact O-N 2.94Å
898	H	95.1	Very high	95.2	Very high	142 Å²	142	54.5 Å²	54.5	66%	0.657	31%	0.312	S	S	*	.	S	Bend	trans	-138.2	10.7	179.4	-63.5	-12.3	0	0	0	112.1	P906 D907	H898-P906 WeakPolarHBondContact O-CA 3.49Å; H898-P906 WeakPolarHBondContact O-CB 3.17Å; H898-D907 VanDerWaalsContact C-CG 3.5Å; H898-D907 VanDerWaalsContact C-OD2 3.24Å; H898-D907 WeakPolarHBondContact CA-OD2 3.2Å
899	D	96.3	Very high	95	Very high	36 Å²	36	58.6 Å²	58.6	19%	0.193	33%	0.327	C	S	.	.			trans	-164.5	53.5	-169.1	-146.6	-45.2	0	0	0	108.3	D901 N902 D903 G904 D907	D899-D901 PolarHBondContact O-N 2.81Å; D899-N902 PolarHBondContact O-N 2.94Å; D899-D903 PolarHBondContact OD1-N 3.33Å; D899-G904 WeakPolarHBondContact OD1-CA 3.29Å; D899-G904 PolarHBondContact OD1-N 2.85Å; D899-G904 WeakPolarHBondContact OD2-CA 3.26Å; D899-D907 WeakPolarHBondContact CA-OD1 3.11Å; D899-D907 PolarHBondContact N-OD1 2.75Å
900	D	96.6	Very high	94.9	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.043	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-20.7	-163.9	-70.8	-6.6	0	0	0	116.6	D888 D894 D907 R913 L914	D888-D900 PolarHBondContact N-O 2.92Å; D894-D900 WeakPolarHBondContact CA-OD1 3.5Å; D900-D907 PolarHBondContact N-OD1 3.13Å; D900-D907 VanDerWaalsContact N-OD1 3.1Å; D900-R913 HydrophobicContact CB-CG 3.97Å; D900-R913 WeakPolarHBondContact CB-O 3.4Å; D900-R913 WeakPolarHBondContact OD2-CD 3.22Å; D900-R913 VanDerWaalsContact OD2-CG 3.31Å; D900-R913 WeakPolarHBondContact OD2-CG 3.43Å; D900-R913 IonicContact OD2-CZ 3.17Å; D900-R913 IonicContact OD2-NE 2.88Å; D900-R913 PolarHBondContact OD2-NE 2.66Å; D900-L914 HydrophobicContact CB-CD2 3.99Å
901	D	95.9	Very high	94.7	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	5.3	177.9	69.5	17.6	0	0	0	114.6	D899 D903 A915 F916	D899-D901 PolarHBondContact O-N 2.81Å; D901-D903 PolarHBondContact O-N 2.83Å; D901-D903 VanDerWaalsContact OD1-CB 3.31Å; D901-D903 WeakPolarHBondContact OD1-CB 3.38Å; D901-D903 PolarHBondContact OD1-N 2.76Å; D901-A915 PolarHBondContact OD2-N 3.48Å; D901-F916 VanDerWaalsContact OD2-CA 3.29Å; D901-F916 WeakPolarHBondContact OD2-CA 3.14Å; D901-F916 PolarHBondContact OD2-N 2.93Å
902	N	96.6	Very high	94.6	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	26%	0.261	S	S	.	.	S	Bend	trans	52.8	27.3	-176.7	-118.2	-81.5	0	0	0	115.4	D888 D899 G904	D888-N902 HydrophobicContact CB-CB 4.06Å; D888-N902 VanDerWaalsContact OD2-CB 3.29Å; D888-N902 WeakPolarHBondContact OD2-CB 3.42Å; D888-N902 PolarHBondContact OD2-N 2.78Å; D888-N902 PolarHBondContact OD2-ND2 2.92Å; D899-N902 PolarHBondContact O-N 2.94Å; N902-G904 VanDerWaalsContact C-N 3.33Å
903	D	96.8	Very high	94.5	Very high	20 Å²	20	47 Å²	47	11%	0.107	26%	0.258	C	S	.	.	S	Bend	trans	-72.6	-25.1	175.9	110.5	7	0	0	0	113.9	D899 D901 I905 F916 N917 P918	D899-D903 PolarHBondContact OD1-N 3.33Å; D901-D903 PolarHBondContact O-N 2.83Å; D901-D903 VanDerWaalsContact OD1-CB 3.31Å; D901-D903 WeakPolarHBondContact OD1-CB 3.38Å; D901-D903 PolarHBondContact OD1-N 2.76Å; D903-I905 WeakPolarHBondContact OD1-CB 3.47Å; D903-I905 VanDerWaalsContact OD1-CG1 3.23Å; D903-I905 WeakPolarHBondContact OD1-CG1 3.38Å; D903-I905 PolarHBondContact OD1-N 3.23Å; D903-F916 HydrophobicContact CB-CD2 3.42Å; D903-F916 VanDerWaalsContact CB-CD2 3.42Å; D903-F916 HydrophobicContact CB-CE2 3.68Å; D903-F916 HydrophobicContact CB-CG 4.02Å; D903-F916 HydrophobicContact CB-CZ 4.43Å; D903-N917 WeakPolarHBondContact OD2-CA 3.49Å; D903-N917 PolarHBondContact OD2-N 2.95Å; D903-P918 HydrophobicContact CB-CB 4.15Å; D903-P918 HydrophobicContact CB-CG 4.35Å; D903-P918 WeakPolarHBondContact OD2-CA 2.97Å; D903-P918 WeakPolarHBondContact OD2-CD 3.4Å
904	G	95	Very high	94.5	Very high	48 Å²	48	47.6 Å²	47.6	50%	0.495	26%	0.261	S	S	.	.	S	Bend	trans	101.7	6.6	-177.2	0	0	0	0	0	115	D899 N902	D899-G904 WeakPolarHBondContact OD1-CA 3.29Å; D899-G904 PolarHBondContact OD1-N 2.85Å; D899-G904 WeakPolarHBondContact OD2-CA 3.26Å; N902-G904 VanDerWaalsContact C-N 3.33Å
905	I	96.3	Very high	94.4	Very high	54 Å²	54	46.5 Å²	46.5	28%	0.277	26%	0.255	S	S	.	.	S	Bend	trans	-105.7	113.7	168.1	-59.6	-60.5	0	0	0	109.5	D903 K909 D910 Q920	D903-I905 WeakPolarHBondContact OD1-CB 3.47Å; D903-I905 VanDerWaalsContact OD1-CG1 3.23Å; D903-I905 WeakPolarHBondContact OD1-CG1 3.38Å; D903-I905 PolarHBondContact OD1-N 3.23Å; I905-K909 HydrophobicContact CG2-CB 4.36Å; I905-D910 WeakPolarHBondContact CB-OD2 3.27Å; I905-D910 HydrophobicContact CG2-CB 4.25Å; I905-D910 WeakPolarHBondContact CG2-OD2 3.2Å; I905-Q920 HydrophobicContact CG1-CG 4Å; I905-Q920 HydrophobicContact CG2-CG 4.33Å
906	P	94.4	Very high	94.4	Very high	44 Å²	44	50.2 Å²	50.2	29%	0.286	26%	0.263	S	S	.	.			trans	-65.6	142.5	-178.7	-28.6	37.4	0	0	0	114.7	H898 D908 K909 D910	H898-P906 WeakPolarHBondContact O-CA 3.49Å; H898-P906 WeakPolarHBondContact O-CB 3.17Å; P906-D908 PolarHBondContact O-N 2.83Å; P906-K909 WeakPolarHBondContact O-CA 3.36Å; P906-K909 WeakPolarHBondContact O-CB 3.32Å; P906-K909 PolarHBondContact O-N 3.4Å; P906-D910 PolarHBondContact O-N 2.77Å
907	D	91.8	Very high	94.5	Very high	46 Å²	46	49.3 Å²	49.3	25%	0.246	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-35.6	-174.6	-12.7	-62.5	0	0	0	115.4	H898 D899 D900 K909 D910 R913	H898-D907 VanDerWaalsContact C-CG 3.5Å; H898-D907 VanDerWaalsContact C-OD2 3.24Å; H898-D907 WeakPolarHBondContact CA-OD2 3.2Å; D899-D907 WeakPolarHBondContact CA-OD1 3.11Å; D899-D907 PolarHBondContact N-OD1 2.75Å; D900-D907 PolarHBondContact N-OD1 3.13Å; D900-D907 VanDerWaalsContact N-OD1 3.1Å; D907-K909 PolarHBondContact O-N 2.84Å; D907-D910 PolarHBondContact O-N 2.86Å; D907-R913 HydrophobicContact CB-CG 3.89Å
908	D	89.8	Confident	94.4	Very high	127 Å²	127	51.5 Å²	51.5	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-2	177.7	75.9	-59.2	0	0	0	113.7	P906	P906-D908 PolarHBondContact O-N 2.83Å
909	K	90.5	Very high	94.4	Very high	130 Å²	130	52.3 Å²	52.3	57%	0.565	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-9.6	178.3	-66.8	169.5	-139.7	72.4	0	113.8	I905 P906 D907	I905-K909 HydrophobicContact CG2-CB 4.36Å; P906-K909 WeakPolarHBondContact O-CA 3.36Å; P906-K909 WeakPolarHBondContact O-CB 3.32Å; P906-K909 PolarHBondContact O-N 3.4Å; D907-K909 PolarHBondContact O-N 2.84Å
910	D	93.3	Very high	94.3	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.144	28%	0.282	C	S	.	.			trans	-76.5	151.3	-174.5	-145.6	-74.7	0	0	0	113.1	I905 P906 D907 C912 R913 Q920	I905-D910 WeakPolarHBondContact CB-OD2 3.27Å; I905-D910 HydrophobicContact CG2-CB 4.25Å; I905-D910 WeakPolarHBondContact CG2-OD2 3.2Å; P906-D910 PolarHBondContact O-N 2.77Å; D907-D910 PolarHBondContact O-N 2.86Å; D910-C912 VanDerWaalsContact OD1-C 3.23Å; D910-C912 WeakPolarHBondContact OD1-CA 2.96Å; D910-C912 PolarHBondContact OD1-N 2.71Å; D910-R913 PolarHBondContact OD1-N 2.77Å; D910-Q920 PolarHBondContact OD1-NE2 2.84Å; D910-Q920 VanDerWaalsContact OD2-CD 3.31Å; D910-Q920 PolarHBondContact OD2-NE2 3.35Å
911	N	90.3	Very high	94.1	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.091	31%	0.305	C	S	.	.	S	Bend	trans	-107.1	-4.6	174.2	71.7	22.3	0	0	0	114.3	N917 Q920 R928 G929	N911-N917 PolarHBondContact OD1-ND2 2.88Å; N911-Q920 VanDerWaalsContact CG-OE1 3.29Å; N911-Q920 VanDerWaalsContact N-OE1 3.11Å; N911-Q920 PolarHBondContact ND2-O 3.34Å; N911-Q920 PolarHBondContact OD1-OE1 3.15Å; N911-R928 WeakPolarHBondContact O-CA 3.49Å; N911-G929 PolarHBondContact O-N 3.4Å; N911-G929 VanDerWaalsContact OD1-CA 3.29Å; N911-G929 WeakPolarHBondContact OD1-CA 3.37Å; N911-G929 PolarHBondContact OD1-N 2.88Å
912	C	93.5	Very high	93.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-149.5	56.1	174.7	-79	0	0	0	0	110.5	D910 L914 A915 G929 I931 C932	D910-C912 VanDerWaalsContact OD1-C 3.23Å; D910-C912 WeakPolarHBondContact OD1-CA 2.96Å; D910-C912 PolarHBondContact OD1-N 2.71Å; C912-L914 PolarHBondContact O-N 3.44Å; C912-A915 HydrophobicContact CB-CB 3.85Å; C912-A915 WeakPolarHBondContact O-CA 3.43Å; C912-A915 WeakPolarHBondContact O-CB 3.46Å; C912-A915 PolarHBondContact O-N 2.84Å; C912-G929 WeakPolarHBondContact SG-CA 3.06Å; C912-G929 PolarHBondContact SG-N 2.7Å; C912-G929 VanDerWaalsContact SG-N 3.4Å; C912-I931 HydrophobicContact CB-CG2 3.97Å; C912-I931 VanDerWaalsContact SG-CG2 3.55Å; C912-C932 WeakPolarHBondContact CA-SG 3.27Å; C912-C932 HydrophobicContact CB-CB 3.82Å; C912-C932 WeakPolarHBondContact CB-SG 3.33Å; C912-C932 WeakPolarHBondContact SG-CB 3.46Å; C912-C932 PolarHBondContact SG-N 2.78Å; C912-C932 VanDerWaalsContact SG-N 3.45Å; C912-C932 CovalentContact SG-SG 2.03Å; C912-C932 PolarHBondContact SG-SG 3.3Å
913	R	94.4	Very high	93.3	Very high	59 Å²	59	58.1 Å²	58.1	22%	0.223	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-35.7	-35.5	-175.6	-172.8	-179.1	88.7	-123	4.2	117.2	D900 D907 D910 F936 E950	D900-R913 HydrophobicContact CB-CG 3.97Å; D900-R913 WeakPolarHBondContact CB-O 3.4Å; D900-R913 WeakPolarHBondContact OD2-CD 3.22Å; D900-R913 VanDerWaalsContact OD2-CG 3.31Å; D900-R913 WeakPolarHBondContact OD2-CG 3.43Å; D900-R913 IonicContact OD2-CZ 3.17Å; D900-R913 IonicContact OD2-NE 2.88Å; D900-R913 PolarHBondContact OD2-NE 2.66Å; D907-R913 HydrophobicContact CB-CG 3.89Å; D910-R913 PolarHBondContact OD1-N 2.77Å; R913-F936 HydrophobicContact CB-CZ 4.08Å; R913-E950 IonicContact CZ-OE2 2.53Å; R913-E950 IonicContact NH1-OE2 3.89Å; R913-E950 PolarHBondContact NH1-OE2 2.93Å; R913-E950 IonicContact NH2-OE2 3.84Å; R913-E950 PolarHBondContact NH2-OE2 2.99Å
914	L	94.9	Very high	92.5	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.058	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	17	-170.4	-52.8	177	0	0	0	112.3	H887 D900 C912 F936 D937 E950	H887-L914 HydrophobicContact CB-CD2 4.45Å; D900-L914 HydrophobicContact CB-CD2 3.99Å; C912-L914 PolarHBondContact O-N 3.44Å; L914-F936 HydrophobicContact CD1-CD1 3.56Å; L914-F936 HydrophobicContact CD1-CE1 3.56Å; L914-F936 HydrophobicContact CG-CD1 4.26Å; L914-F936 HydrophobicContact CG-CE1 3.91Å; L914-D937 HydrophobicContact CB-CB 4.42Å; L914-D937 HydrophobicContact CD1-CB 3.88Å; L914-E950 HydrophobicContact CD1-CB 4.19Å
915	A	95	Very high	91.5	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	33%	0.327	C	S	.	.	S	Bend	trans	-153.1	34.7	-147.3	0	0	0	0	0	116.3	D901 C912 I931 C932 Q938	D901-A915 PolarHBondContact OD2-N 3.48Å; C912-A915 HydrophobicContact CB-CB 3.85Å; C912-A915 WeakPolarHBondContact O-CA 3.43Å; C912-A915 WeakPolarHBondContact O-CB 3.46Å; C912-A915 PolarHBondContact O-N 2.84Å; A915-I931 HydrophobicContact CB-CG2 4.45Å; A915-I931 WeakPolarHBondContact O-CG2 3.49Å; A915-C932 HydrophobicContact CB-CB 3.75Å; A915-Q938 VanDerWaalsContact CA-NE2 3.27Å; A915-Q938 HydrophobicContact CB-CG 4.04Å; A915-Q938 PolarHBondContact O-NE2 2.74Å
916	F	95.9	Very high	90.6	Very high	123 Å²	123	58.5 Å²	58.5	54%	0.539	32%	0.315	S	S	.	.			trans	18.4	95.9	174.4	-169.8	-86.9	0	0	0	116	D901 D903 P918	D901-F916 VanDerWaalsContact OD2-CA 3.29Å; D901-F916 WeakPolarHBondContact OD2-CA 3.14Å; D901-F916 PolarHBondContact OD2-N 2.93Å; D903-F916 HydrophobicContact CB-CD2 3.42Å; D903-F916 VanDerWaalsContact CB-CD2 3.42Å; D903-F916 HydrophobicContact CB-CE2 3.68Å; D903-F916 HydrophobicContact CB-CG 4.02Å; D903-F916 HydrophobicContact CB-CZ 4.43Å; F916-P918 HydrophobicContact CE1-CG 3.99Å; F916-P918 HydrophobicContact CZ-CG 4.01Å
917	N	95.8	Very high	90	Very high	16 Å²	16	56.9 Å²	56.9	9%	0.086	31%	0.306	C	S	.	.			trans	-149.5	68	-178.8	68.7	-32.9	0	0	0	114.7	D903 N911 D919 Q920 I931	D903-N917 WeakPolarHBondContact OD2-CA 3.49Å; D903-N917 PolarHBondContact OD2-N 2.95Å; N911-N917 PolarHBondContact OD1-ND2 2.88Å; N917-D919 PolarHBondContact O-N 3.49Å; N917-Q920 PolarHBondContact ND2-NE2 2.81Å; N917-Q920 WeakPolarHBondContact O-CA 3.18Å; N917-Q920 PolarHBondContact O-N 2.84Å; N917-Q920 PolarHBondContact O-NE2 3.05Å; N917-Q920 PolarHBondContact OD1-NE2 2.96Å; N917-I931 HydrophobicContact CB-CG2 3.81Å
918	P	95.4	Very high	89.7	Confident	66 Å²	66	55.2 Å²	55.2	43%	0.429	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-0.5	-165.3	24.9	-34	0	0	0	115.3	D903 F916	D903-P918 HydrophobicContact CB-CB 4.15Å; D903-P918 HydrophobicContact CB-CG 4.35Å; D903-P918 WeakPolarHBondContact OD2-CA 2.97Å; D903-P918 WeakPolarHBondContact OD2-CD 3.4Å; F916-P918 HydrophobicContact CE1-CG 3.99Å; F916-P918 HydrophobicContact CZ-CG 4.01Å
919	D	94.7	Very high	89.7	Confident	159 Å²	159	49.1 Å²	49.1	85%	0.85	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.5	167	-81	-42.8	0	0	0	112.8	N917 L921	N917-D919 PolarHBondContact O-N 3.49Å; D919-L921 VanDerWaalsContact C-N 3.31Å; D919-L921 PolarHBondContact O-N 2.89Å
920	Q	93.2	Very high	89.7	Confident	46 Å²	46	45.9 Å²	45.9	22%	0.215	25%	0.253	C	S	.	.			trans	48	45.3	178.7	-72.6	-75.1	-63.3	0	0	113.7	I905 D910 N911 N917 D922	I905-Q920 HydrophobicContact CG1-CG 4Å; I905-Q920 HydrophobicContact CG2-CG 4.33Å; D910-Q920 PolarHBondContact OD1-NE2 2.84Å; D910-Q920 VanDerWaalsContact OD2-CD 3.31Å; D910-Q920 PolarHBondContact OD2-NE2 3.35Å; N911-Q920 VanDerWaalsContact CG-OE1 3.29Å; N911-Q920 VanDerWaalsContact N-OE1 3.11Å; N911-Q920 PolarHBondContact ND2-O 3.34Å; N911-Q920 PolarHBondContact OD1-OE1 3.15Å; N917-Q920 PolarHBondContact ND2-NE2 2.81Å; N917-Q920 WeakPolarHBondContact O-CA 3.18Å; N917-Q920 PolarHBondContact O-N 2.84Å; N917-Q920 PolarHBondContact O-NE2 3.05Å; N917-Q920 PolarHBondContact OD1-NE2 2.96Å; Q920-D922 PolarHBondContact O-N 2.94Å
921	L	93.6	Very high	89.7	Confident	103 Å²	103	49.1 Å²	49.1	54%	0.539	27%	0.269	S	S	.	.			trans	-75.2	110	-171.6	-175.6	67.7	0	0	0	112.3	D919 G929 D930	D919-L921 VanDerWaalsContact C-N 3.31Å; D919-L921 PolarHBondContact O-N 2.89Å; L921-G929 CarbonylContact O-C 3.5Å; L921-G929 WeakPolarHBondContact O-CA 3.46Å; L921-D930 WeakPolarHBondContact CG-OD2 3.47Å; L921-D930 PolarHBondContact O-N 3.33Å
922	D	88.3	Confident	89.8	Confident	33 Å²	33	48.3 Å²	48.3	18%	0.176	26%	0.264	C	S	.	.			trans	-119.5	103.6	171.1	168.1	6.9	0	0	0	107.9	N605 Q920 G925 D926 G927	N605-D922 PolarHBondContact ND2-OD2 3.31Å; Q920-D922 PolarHBondContact O-N 2.94Å; D922-G925 WeakPolarHBondContact OD1-CA 3.39Å; D922-G925 PolarHBondContact OD1-N 3.04Å; D922-G925 WeakPolarHBondContact OD2-CA 3.11Å; D922-D926 PolarHBondContact OD1-N 2.85Å; D922-D926 PolarHBondContact OD2-N 2.76Å; D922-G927 PolarHBondContact OD2-N 3Å; D922-G927 VanDerWaalsContact OD2-N 3.15Å
923	S	87.1	Confident	89.4	Confident	88 Å²	88	50.1 Å²	50.1	62%	0.615	27%	0.273	S	S	*	.	S	Bend	trans	-86.7	-24.4	-172.6	-74.5	0	0	0	0	114.6	D930	S923-D930 WeakPolarHBondContact CB-OD1 3.49Å; S923-D930 WeakPolarHBondContact CB-OD2 3.31Å; S923-D930 PolarHBondContact N-OD1 3.2Å; S923-D930 PolarHBondContact OG-OD2 2.7Å
924	D	78.9	Confident	89	Confident	98 Å²	98	51 Å²	51	52%	0.524	28%	0.282	S	S	.	.	S	Bend	trans	-101.7	-9.8	178.4	76.3	-19.7	0	0	0	114.1	K933	D924-K933 IonicContact OD1-NZ 2.66Å; D924-K933 PolarHBondContact OD1-NZ 2.98Å; D924-K933 IonicContact OD2-NZ 3.32Å; D924-K933 PolarHBondContact OD2-NZ 3.18Å
925	G	75.6	Confident	88.9	Confident	29 Å²	29	52 Å²	52	30%	0.299	29%	0.287	S	S	.	.			trans	76.2	38.7	170.2	0	0	0	0	0	112.8	D922	D922-G925 WeakPolarHBondContact OD1-CA 3.39Å; D922-G925 PolarHBondContact OD1-N 3.04Å; D922-G925 WeakPolarHBondContact OD2-CA 3.11Å
926	D	77.3	Confident	88.7	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.292	C	S	.	.	S	Bend	trans	-104.5	-6.3	-175.6	91.6	-7.8	0	0	0	115	R625 D922 R928 K933	R625-D926 IonicContact CZ-OD2 2.66Å; R625-D926 IonicContact NE-OD2 3.91Å; R625-D926 PolarHBondContact NE-OD2 3.14Å; R625-D926 IonicContact NH2-OD2 3.75Å; R625-D926 PolarHBondContact NH2-OD2 3.16Å; D922-D926 PolarHBondContact OD1-N 2.85Å; D922-D926 PolarHBondContact OD2-N 2.76Å; D926-R928 PolarHBondContact OD1-N 3.4Å; D926-R928 VanDerWaalsContact OD1-N 3.14Å; D926-K933 IonicContact OD1-NZ 2.68Å; D926-K933 PolarHBondContact OD1-NZ 2.66Å; D926-K933 IonicContact OD2-NZ 2.77Å; D926-K933 PolarHBondContact OD2-NZ 2.85Å
927	G	80	Confident	88.6	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	27%	0.268	C	S	.	.	S	Bend	trans	99.2	-0.8	175.5	0	0	0	0	0	115.5	D922	D922-G927 PolarHBondContact OD2-N 3Å; D922-G927 VanDerWaalsContact OD2-N 3.15Å
928	R	86.9	Confident	88.4	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.038	28%	0.283	C	S	.	.	S	Bend	trans	-117.6	137.1	171.4	-171.1	163.1	167.9	-178.2	-19.8	109.4	N911 D926 C932 D935 D943	N911-R928 WeakPolarHBondContact O-CA 3.49Å; D926-R928 PolarHBondContact OD1-N 3.4Å; D926-R928 VanDerWaalsContact OD1-N 3.14Å; R928-C932 PolarHBondContact NE-O 3.32Å; R928-C932 PolarHBondContact NH2-O 2.98Å; R928-D935 PolarHBondContact NH2-O 2.9Å; R928-D943 IonicContact CZ-OD1 2.7Å; R928-D943 IonicContact CZ-OD2 3.92Å; R928-D943 IonicContact NH1-OD1 3.55Å; R928-D943 PolarHBondContact NH1-OD1 3.3Å; R928-D943 IonicContact NH1-OD2 2.89Å; R928-D943 PolarHBondContact NH1-OD2 2.73Å; R928-D943 IonicContact NH2-OD1 2.67Å; R928-D943 PolarHBondContact NH2-OD1 2.76Å; R928-D943 IonicContact NH2-OD2 3.82Å
929	G	89.8	Confident	88.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.			trans	-67.3	156.8	-176.5	0	0	0	0	0	113.3	N911 C912 L921 I931	N911-G929 PolarHBondContact O-N 3.4Å; N911-G929 VanDerWaalsContact OD1-CA 3.29Å; N911-G929 WeakPolarHBondContact OD1-CA 3.37Å; N911-G929 PolarHBondContact OD1-N 2.88Å; C912-G929 WeakPolarHBondContact SG-CA 3.06Å; C912-G929 PolarHBondContact SG-N 2.7Å; C912-G929 VanDerWaalsContact SG-N 3.4Å; L921-G929 CarbonylContact O-C 3.5Å; L921-G929 WeakPolarHBondContact O-CA 3.46Å; G929-I931 PolarHBondContact O-N 2.67Å
930	D	90.1	Very high	88.3	Confident	62 Å²	62	48.5 Å²	48.5	33%	0.332	27%	0.266	S	S	.	.	S	Bend	trans	-63.3	-21.6	-178	-76.1	-7	0	0	0	113.4	L921 S923	L921-D930 WeakPolarHBondContact CG-OD2 3.47Å; L921-D930 PolarHBondContact O-N 3.33Å; S923-D930 WeakPolarHBondContact CB-OD1 3.49Å; S923-D930 WeakPolarHBondContact CB-OD2 3.31Å; S923-D930 PolarHBondContact N-OD1 3.2Å; S923-D930 PolarHBondContact OG-OD2 2.7Å
931	I	93.1	Very high	88.2	Confident	94 Å²	94	48.6 Å²	48.6	48%	0.482	27%	0.269	S	S	.	.	S	Bend	trans	-79.9	-46.5	-176.1	-168.4	166.1	0	0	0	112.1	C912 A915 N917 G929 K933	C912-I931 HydrophobicContact CB-CG2 3.97Å; C912-I931 VanDerWaalsContact SG-CG2 3.55Å; A915-I931 HydrophobicContact CB-CG2 4.45Å; A915-I931 WeakPolarHBondContact O-CG2 3.49Å; N917-I931 HydrophobicContact CB-CG2 3.81Å; G929-I931 PolarHBondContact O-N 2.67Å; I931-K933 VanDerWaalsContact C-N 3.32Å; I931-K933 PolarHBondContact O-N 3.24Å
932	C	91.5	Very high	88	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-95.6	34.8	-176.4	71.2	0	0	0	0	111.3	C912 A915 R928 D934 D935 F936	C912-C932 WeakPolarHBondContact CA-SG 3.27Å; C912-C932 HydrophobicContact CB-CB 3.82Å; C912-C932 WeakPolarHBondContact CB-SG 3.33Å; C912-C932 WeakPolarHBondContact SG-CB 3.46Å; C912-C932 PolarHBondContact SG-N 2.78Å; C912-C932 VanDerWaalsContact SG-N 3.45Å; C912-C932 CovalentContact SG-SG 2.03Å; C912-C932 PolarHBondContact SG-SG 3.3Å; A915-C932 HydrophobicContact CB-CB 3.75Å; R928-C932 PolarHBondContact NE-O 3.32Å; R928-C932 PolarHBondContact NH2-O 2.98Å; C932-D934 PolarHBondContact O-N 3.48Å; C932-D935 CarbonylContact C-O 3.47Å; C932-D935 WeakPolarHBondContact CA-O 3.38Å; C932-D935 WeakPolarHBondContact CB-O 2.88Å; C932-F936 HydrophobicContact CB-CD2 4.41Å
933	K	86.8	Confident	87.9	Confident	39 Å²	39	46.8 Å²	46.8	17%	0.17	26%	0.26	C	S	.	.	S	Bend	trans	-68	-43.6	-156.5	-171.6	66.2	-173	-174.4	0	115	D924 D926 I931	D924-K933 IonicContact OD1-NZ 2.66Å; D924-K933 PolarHBondContact OD1-NZ 2.98Å; D924-K933 IonicContact OD2-NZ 3.32Å; D924-K933 PolarHBondContact OD2-NZ 3.18Å; D926-K933 IonicContact OD1-NZ 2.68Å; D926-K933 PolarHBondContact OD1-NZ 2.66Å; D926-K933 IonicContact OD2-NZ 2.77Å; D926-K933 PolarHBondContact OD2-NZ 2.85Å; I931-K933 VanDerWaalsContact C-N 3.32Å; I931-K933 PolarHBondContact O-N 3.24Å
934	D	85.9	Confident	87.8	Confident	78 Å²	78	45.7 Å²	45.7	42%	0.417	25%	0.246	S	C	.	.	S	Bend	trans	-120.6	0.8	-174	-57.6	-44.3	0	0	0	112.8	C932 L942 D943	C932-D934 PolarHBondContact O-N 3.48Å; D934-L942 HydrophobicContact CB-CD2 4.01Å; D934-L942 WeakPolarHBondContact O-CA 3.19Å; D934-D943 PolarHBondContact O-N 2.88Å; D934-D943 VanDerWaalsContact O-N 3.09Å
935	D	91.3	Very high	88.1	Confident	31 Å²	31	46.9 Å²	46.9	17%	0.166	25%	0.248	C	C	.	.			trans	-151.2	121.4	-170.7	163	-14.5	0	0	0	103.7	R928 C932 Q938 N940 V941	R928-D935 PolarHBondContact NH2-O 2.9Å; C932-D935 CarbonylContact C-O 3.47Å; C932-D935 WeakPolarHBondContact CA-O 3.38Å; C932-D935 WeakPolarHBondContact CB-O 2.88Å; D935-Q938 WeakPolarHBondContact OD1-CA 3.32Å; D935-Q938 PolarHBondContact OD1-N 2.76Å; D935-N940 VanDerWaalsContact OD2-CA 3.28Å; D935-N940 WeakPolarHBondContact OD2-CA 3.03Å; D935-N940 PolarHBondContact OD2-N 2.85Å; D935-V941 VanDerWaalsContact CB-O 3.3Å; D935-V941 WeakPolarHBondContact CB-O 3.36Å
936	F	91.8	Very high	88.9	Confident	28 Å²	28	46.1 Å²	46.1	12%	0.123	24%	0.237	C	C	.	.	S	Bend	trans	-98.3	-36.8	-165.1	-170.9	-119.5	0	0	0	114	R913 L914 C932 P949 E950	R913-F936 HydrophobicContact CB-CZ 4.08Å; L914-F936 HydrophobicContact CD1-CD1 3.56Å; L914-F936 HydrophobicContact CD1-CE1 3.56Å; L914-F936 HydrophobicContact CG-CD1 4.26Å; L914-F936 HydrophobicContact CG-CE1 3.91Å; C932-F936 HydrophobicContact CB-CD2 4.41Å; F936-P949 WeakPolarHBondContact CB-O 3.38Å; F936-P949 WeakPolarHBondContact CD1-O 3.29Å; F936-E950 HydrophobicContact CD1-CB 4.34Å; F936-E950 HydrophobicContact CD1-CG 3.83Å; F936-E950 HydrophobicContact CE1-CG 3.95Å
937	D	92.9	Very high	89.6	Confident	7 Å²	7	47 Å²	47	4%	0.037	24%	0.243	C	C	.	.	S	Bend	trans	-108.4	2.3	-173.3	41.4	31.9	0	0	0	113	L914 E950 N951 F952	L914-D937 HydrophobicContact CB-CB 4.42Å; L914-D937 HydrophobicContact CD1-CB 3.88Å; D937-E950 WeakPolarHBondContact OD2-CA 3.36Å; D937-E950 PolarHBondContact OD2-N 2.86Å; D937-E950 VanDerWaalsContact OD2-N 3.09Å; D937-N951 PolarHBondContact OD2-N 3.49Å; D937-F952 HydrophobicContact CB-CB 4.12Å
938	Q	93.4	Very high	90.3	Very high	89 Å²	89	46.5 Å²	46.5	42%	0.416	24%	0.238	S	C	.	.	S	Bend	trans	70.2	24.5	173.3	-49.4	-164.4	5.4	0	0	115.4	A915 D935 N940	A915-Q938 VanDerWaalsContact CA-NE2 3.27Å; A915-Q938 HydrophobicContact CB-CG 4.04Å; A915-Q938 PolarHBondContact O-NE2 2.74Å; D935-Q938 WeakPolarHBondContact OD1-CA 3.32Å; D935-Q938 PolarHBondContact OD1-N 2.76Å; Q938-N940 PolarHBondContact O-N 2.91Å; Q938-N940 PolarHBondContact O-ND2 2.03Å
939	D	93.3	Very high	90.5	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-72.7	-12.2	177.1	89.3	-26.7	0	0	0	113.6	V941 F952 S955	D939-V941 WeakPolarHBondContact OD1-CA 3.29Å; D939-V941 WeakPolarHBondContact OD1-CB 3.49Å; D939-V941 PolarHBondContact OD1-N 3.36Å; D939-F952 HydrophobicContact CB-CB 4.39Å; D939-S955 WeakPolarHBondContact OD2-CB 3.29Å; D939-S955 PolarHBondContact OD2-OG 3.36Å
940	N	93.4	Very high	90.6	Very high	143 Å²	143	53.1 Å²	53.1	77%	0.765	27%	0.273	S	S	*	.	S	Bend	trans	80	11.4	-175.9	-50.5	-108.6	0	0	0	115.4	D935 Q938	D935-N940 VanDerWaalsContact OD2-CA 3.28Å; D935-N940 WeakPolarHBondContact OD2-CA 3.03Å; D935-N940 PolarHBondContact OD2-N 2.85Å; Q938-N940 PolarHBondContact O-N 2.91Å; Q938-N940 PolarHBondContact O-ND2 2.03Å
941	V	91.3	Very high	90.8	Very high	48 Å²	48	50.6 Å²	50.6	29%	0.291	26%	0.259	S	S	.	.	S	Bend	trans	-101.2	157.6	167	-169.7	0	0	0	0	108.7	D935 D939 H945 D946	D935-V941 VanDerWaalsContact CB-O 3.3Å; D935-V941 WeakPolarHBondContact CB-O 3.36Å; D939-V941 WeakPolarHBondContact OD1-CA 3.29Å; D939-V941 WeakPolarHBondContact OD1-CB 3.49Å; D939-V941 PolarHBondContact OD1-N 3.36Å; V941-H945 HydrophobicContact CG1-CB 4.31Å; V941-D946 HydrophobicContact CB-CB 4.3Å; V941-D946 HydrophobicContact CG1-CB 3.83Å
942	L	89	Confident	90.8	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.435	25%	0.247	S	C	.	.			trans	-99	142.1	-176.3	-56.9	178.5	0	0	0	110.3	D934 I944 H945 D946	D934-L942 HydrophobicContact CB-CD2 4.01Å; D934-L942 WeakPolarHBondContact O-CA 3.19Å; L942-I944 HydrophobicContact CB-CG2 4.28Å; L942-I944 PolarHBondContact O-N 3.3Å; L942-H945 PolarHBondContact O-N 3.4Å; L942-D946 PolarHBondContact O-N 2.88Å
943	D	86.3	Confident	90.9	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.08	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-34.9	-31.3	174.6	-84.9	40.2	0	0	0	116.7	S672 R928 D934	S672-D943 WeakPolarHBondContact CA-OD2 3.49Å; S672-D943 WeakPolarHBondContact CB-OD2 3.17Å; S672-D943 WeakPolarHBondContact OG-CB 3.46Å; S672-D943 PolarHBondContact OG-OD2 3.17Å; R928-D943 IonicContact CZ-OD1 2.7Å; R928-D943 IonicContact CZ-OD2 3.92Å; R928-D943 IonicContact NH1-OD1 3.55Å; R928-D943 PolarHBondContact NH1-OD1 3.3Å; R928-D943 IonicContact NH1-OD2 2.89Å; R928-D943 PolarHBondContact NH1-OD2 2.73Å; R928-D943 IonicContact NH2-OD1 2.67Å; R928-D943 PolarHBondContact NH2-OD1 2.76Å; R928-D943 IonicContact NH2-OD2 3.82Å; D934-D943 PolarHBondContact O-N 2.88Å; D934-D943 VanDerWaalsContact O-N 3.09Å
944	I	84.9	Confident	91.3	Very high	65 Å²	65	53.3 Å²	53.3	33%	0.333	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.5	-172.5	-162.9	178.9	0	0	0	113.4	L668 S674 R677 L942	L668-I944 HydrophobicContact CD1-CG1 4.33Å; S674-I944 WeakPolarHBondContact OG-CD1 3.37Å; R677-I944 HydrophobicContact CB-CG1 4.32Å; L942-I944 HydrophobicContact CB-CG2 4.28Å; L942-I944 PolarHBondContact O-N 3.3Å
945	H	86.2	Confident	91.7	Very high	122 Å²	122	51.4 Å²	51.4	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-28.5	-177	-69.6	-34.1	0	0	0	112.8	V941 L942	V941-H945 HydrophobicContact CG1-CB 4.31Å; L942-H945 PolarHBondContact O-N 3.4Å
946	D	91.4	Very high	91.8	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.07	27%	0.272	C	S	.	.			trans	-67.2	149.7	170.4	174.1	23.8	0	0	0	112.3	V941 L942 C948 P949 S955	V941-D946 HydrophobicContact CB-CB 4.3Å; V941-D946 HydrophobicContact CG1-CB 3.83Å; L942-D946 PolarHBondContact O-N 2.88Å; D946-C948 PolarHBondContact OD1-N 2.84Å; D946-P949 HydrophobicContact CB-CG 4.16Å; D946-P949 WeakPolarHBondContact OD2-CA 3.38Å; D946-P949 VanDerWaalsContact OD2-CB 3.3Å; D946-P949 WeakPolarHBondContact OD2-CB 3.36Å; D946-P949 VanDerWaalsContact OD2-CG 3.23Å; D946-P949 WeakPolarHBondContact OD2-CG 3.45Å; D946-S955 WeakPolarHBondContact OD1-CA 3.46Å
947	V	92.9	Very high	92	Very high	22 Å²	22	52.6 Å²	52.6	13%	0.133	27%	0.268	C	S	.	.	S	Bend	trans	-93.7	-23.1	177	-63.4	0	0	0	0	113.2	I954 Y1167 E1168 C1169	V947-I954 HydrophobicContact CG2-CG2 4.1Å; V947-I954 VanDerWaalsContact CG2-O 3.27Å; V947-I954 WeakPolarHBondContact CG2-O 3.37Å; V947-Y1167 WeakPolarHBondContact CB-O 3.35Å; V947-Y1167 WeakPolarHBondContact CG1-O 3.36Å; V947-Y1167 HydrophobicContact CG2-CD2 4.26Å; V947-Y1167 HydrophobicContact CG2-CE2 4.23Å; V947-E1168 CarbonylContact O-C 3.49Å; V947-E1168 VanDerWaalsContact O-CA 3.27Å; V947-E1168 WeakPolarHBondContact O-CA 3.32Å; V947-C1169 PolarHBondContact O-N 3.23Å
948	C	94.1	Very high	92.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	28%	0.275	C	S	.	.			trans	-137.8	67.8	-178.1	-68.6	0	0	0	0	113.8	D946 E950 N951 I954 C1169	D946-C948 PolarHBondContact OD1-N 2.84Å; C948-E950 PolarHBondContact O-N 3.43Å; C948-N951 HydrophobicContact CB-CB 4.39Å; C948-N951 PolarHBondContact O-N 3.4Å; C948-I954 HydrophobicContact CB-CB 4.14Å; C948-I954 HydrophobicContact CB-CG2 4.36Å; C948-I954 WeakPolarHBondContact CB-O 3.44Å; C948-C1169 HydrophobicContact CB-CB 3.6Å; C948-C1169 WeakPolarHBondContact CB-SG 3.36Å; C948-C1169 WeakPolarHBondContact SG-CB 3.03Å; C948-C1169 PolarHBondContact SG-N 3.05Å; C948-C1169 VanDerWaalsContact SG-N 3.38Å; C948-C1169 CovalentContact SG-SG 2.03Å; C948-C1169 PolarHBondContact SG-SG 2.85Å
949	P	91.9	Very high	92.3	Very high	37 Å²	37	49.7 Å²	49.7	24%	0.24	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	33.3	-171.9	-13.4	29.5	0	0	0	117	F936 D946	F936-P949 WeakPolarHBondContact CB-O 3.38Å; F936-P949 WeakPolarHBondContact CD1-O 3.29Å; D946-P949 HydrophobicContact CB-CG 4.16Å; D946-P949 WeakPolarHBondContact OD2-CA 3.38Å; D946-P949 VanDerWaalsContact OD2-CB 3.3Å; D946-P949 WeakPolarHBondContact OD2-CB 3.36Å; D946-P949 VanDerWaalsContact OD2-CG 3.23Å; D946-P949 WeakPolarHBondContact OD2-CG 3.45Å
950	E	92.2	Very high	92.2	Very high	111 Å²	111	53.7 Å²	53.7	52%	0.519	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	31.7	168	-55.8	-167.3	-141.1	0	0	110	R913 L914 F936 D937 C948	R913-E950 IonicContact CZ-OE2 2.53Å; R913-E950 IonicContact NH1-OE2 3.89Å; R913-E950 PolarHBondContact NH1-OE2 2.93Å; R913-E950 IonicContact NH2-OE2 3.84Å; R913-E950 PolarHBondContact NH2-OE2 2.99Å; L914-E950 HydrophobicContact CD1-CB 4.19Å; F936-E950 HydrophobicContact CD1-CB 4.34Å; F936-E950 HydrophobicContact CD1-CG 3.83Å; F936-E950 HydrophobicContact CE1-CG 3.95Å; D937-E950 WeakPolarHBondContact OD2-CA 3.36Å; D937-E950 PolarHBondContact OD2-N 2.86Å; D937-E950 VanDerWaalsContact OD2-N 3.09Å; C948-E950 PolarHBondContact O-N 3.43Å
951	N	94.1	Very high	92	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.048	27%	0.267	C	S	.	.			trans	-161	101.5	179.4	-179.2	7.4	0	0	0	112.7	D937 C948 E953 I954	D937-N951 PolarHBondContact OD2-N 3.49Å; C948-N951 HydrophobicContact CB-CB 4.39Å; C948-N951 PolarHBondContact O-N 3.4Å; N951-E953 PolarHBondContact O-N 3.11Å; N951-E953 PolarHBondContact OD1-N 3.08Å; N951-I954 WeakPolarHBondContact ND2-CD1 3.47Å; N951-I954 PolarHBondContact O-N 2.94Å
952	F	92.9	Very high	92.1	Very high	50 Å²	50	55.9 Å²	55.9	22%	0.219	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.9	-176.1	75.1	-80.7	0	0	0	117	H887 K889 D937 D939	H887-F952 AromaticContact CD2-CD1 3.38Å; H887-F952 WeakPolarHBondContact CD2-CD1 3.42Å; H887-F952 AromaticContact CG-CD1 3.85Å; H887-F952 AromaticContact NE2-CD1 3.51Å; K889-F952 VanDerWaalsContact CE-CZ 3.42Å; D937-F952 HydrophobicContact CB-CB 4.12Å; D939-F952 HydrophobicContact CB-CB 4.39Å
953	E	92.5	Very high	92.4	Very high	129 Å²	129	53.1 Å²	53.1	60%	0.603	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.6	-179.5	-58.4	-160.2	158.5	0	0	114.4	K889 N951	K889-E953 IonicContact NZ-OE1 2.67Å; K889-E953 PolarHBondContact NZ-OE1 2.79Å; N951-E953 PolarHBondContact O-N 3.11Å; N951-E953 PolarHBondContact OD1-N 3.08Å
954	I	95.5	Very high	92.8	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.056	27%	0.269	C	S	.	.			trans	-132.6	74	-168.5	-50.2	180	0	0	0	113.1	V947 C948 N951 D1003 F1005 Y1167	V947-I954 HydrophobicContact CG2-CG2 4.1Å; V947-I954 VanDerWaalsContact CG2-O 3.27Å; V947-I954 WeakPolarHBondContact CG2-O 3.37Å; C948-I954 HydrophobicContact CB-CB 4.14Å; C948-I954 HydrophobicContact CB-CG2 4.36Å; C948-I954 WeakPolarHBondContact CB-O 3.44Å; N951-I954 WeakPolarHBondContact ND2-CD1 3.47Å; N951-I954 PolarHBondContact O-N 2.94Å; I954-D1003 HydrophobicContact CD1-CB 4.19Å; I954-D1003 WeakPolarHBondContact CG2-OD2 3.11Å; I954-F1005 HydrophobicContact CD1-CE1 4.35Å; I954-F1005 HydrophobicContact CG2-CE1 4.34Å; I954-Y1167 HydrophobicContact CG2-CE2 3.89Å
955	S	94.4	Very high	93.3	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	25%	0.254	S	S	.	.			trans	-84.3	-25.9	-175.8	-28.9	0	0	0	0	116.4	D939 D946	D939-S955 WeakPolarHBondContact OD2-CB 3.29Å; D939-S955 PolarHBondContact OD2-OG 3.36Å; D946-S955 WeakPolarHBondContact OD1-CA 3.46Å
956	E	94.6	Very high	93.7	Very high	76 Å²	76	51 Å²	51	36%	0.355	24%	0.241	S	C	.	.	S	Bend	trans	-141.3	159	-178.5	69.5	170.2	170.7	0	0	112.4	D958 R960 K986 Y1167	E956-D958 PolarHBondContact O-N 2.86Å; E956-R960 IonicContact OE1-CZ 2.78Å; E956-R960 IonicContact OE1-NH1 3.88Å; E956-R960 IonicContact OE1-NH2 3.56Å; E956-R960 PolarHBondContact OE1-NH2 3.19Å; E956-K986 IonicContact OE2-NZ 2.69Å; E956-K986 PolarHBondContact OE2-NZ 3.35Å; E956-Y1167 PolarHBondContact O-OH 3.25Å
957	T	95.9	Very high	93.8	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.043	24%	0.237	C	C	.	.			trans	-72.8	117.9	168.5	-66.9	0	0	0	0	110.5	F959 K986 L1165 Y1167	T957-F959 HydrophobicContact CG2-CD2 4.28Å; T957-F959 HydrophobicContact CG2-CE2 4.08Å; T957-K986 HydrophobicContact CG2-CG 4.26Å; T957-K986 WeakPolarHBondContact O-CE 3.36Å; T957-K986 WeakPolarHBondContact O-CG 3.42Å; T957-L1165 HydrophobicContact CG2-CB 4.15Å; T957-L1165 VanDerWaalsContact CG2-O 3.22Å; T957-L1165 WeakPolarHBondContact CG2-O 3.11Å; T957-Y1167 VanDerWaalsContact CA-CZ 3.5Å; T957-Y1167 HydrophobicContact CG2-CD1 3.69Å; T957-Y1167 HydrophobicContact CG2-CE1 3.54Å; T957-Y1167 HydrophobicContact CG2-CG 4.33Å; T957-Y1167 PolarHBondContact OG1-N 2.85Å; T957-Y1167 PolarHBondContact OG1-O 3.4Å
958	D	96	Very high	93.8	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	23%	0.232	C	C	.	.			trans	-141.1	117.7	-177	-174.6	14.6	0	0	0	113.1	E956 R960 Y1167	E956-D958 PolarHBondContact O-N 2.86Å; D958-R960 WeakPolarHBondContact OD1-CB 3.17Å; D958-R960 WeakPolarHBondContact OD1-CG 3.25Å; D958-R960 IonicContact OD1-CZ 3.72Å; D958-R960 PolarHBondContact OD1-N 3.03Å; D958-R960 IonicContact OD1-NE 3.31Å; D958-R960 PolarHBondContact OD1-NE 3.02Å; D958-R960 IonicContact OD1-NH2 3.69Å; D958-R960 IonicContact OD2-CZ 3.12Å; D958-R960 IonicContact OD2-NE 2.63Å; D958-R960 PolarHBondContact OD2-NE 2.8Å; D958-R960 IonicContact OD2-NH2 2.7Å; D958-R960 PolarHBondContact OD2-NH2 2.82Å; D958-Y1167 PolarHBondContact N-OH 3.27Å
959	F	96.1	Very high	93.3	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	25%	0.251	C	S	.	.			trans	-116	27.9	167.5	-64.6	-90.8	0	0	0	112.5	T957 R961 F962 G985 L988 F1010 L1150 L1165 Y1167	T957-F959 HydrophobicContact CG2-CD2 4.28Å; T957-F959 HydrophobicContact CG2-CE2 4.08Å; F959-R961 VanDerWaalsContact C-N 3.33Å; F959-F962 WeakPolarHBondContact O-CD1 3.42Å; F959-G985 WeakPolarHBondContact CB-O 3.12Å; F959-G985 PolarHBondContact N-O 2.6Å; F959-L988 HydrophobicContact CB-CD1 3.47Å; F959-L988 VanDerWaalsContact CB-CD1 3.47Å; F959-L988 HydrophobicContact CG-CD1 4.41Å; F959-F1010 HydrophobicContact CE2-CE2 4.16Å; F959-F1010 HydrophobicContact CE2-CZ 4.4Å; F959-F1010 HydrophobicContact CZ-CE2 4.21Å; F959-F1010 HydrophobicContact CZ-CZ 4.17Å; F959-L1150 HydrophobicContact CE1-CB 4.29Å; F959-L1150 HydrophobicContact CZ-CB 4.01Å; F959-L1165 HydrophobicContact CD2-CB 4.46Å; F959-L1165 HydrophobicContact CD2-CD1 3.76Å; F959-L1165 HydrophobicContact CE2-CB 4.36Å; F959-L1165 HydrophobicContact CE2-CD1 4.11Å; F959-L1165 HydrophobicContact CG-CD1 4.48Å; F959-Y1167 HydrophobicContact CD2-CE1 4.32Å; F959-Y1167 AromaticContact CE2-CD1 3.88Å; F959-Y1167 HydrophobicContact CE2-CD1 3.88Å; F959-Y1167 AromaticContact CE2-CE1 3.56Å; F959-Y1167 HydrophobicContact CE2-CE1 3.56Å; F959-Y1167 HydrophobicContact CZ-CD1 4.05Å; F959-Y1167 AromaticContact CZ-CE1 3.79Å; F959-Y1167 HydrophobicContact CZ-CE1 3.79Å
960	R	89.9	Confident	92.5	Very high	111 Å²	111	59.1 Å²	59.1	42%	0.419	28%	0.276	S	S	.	.	S	Bend	trans	-59.9	-44.1	168.7	-73.9	172.5	-69.2	-145.3	-7.6	111.3	E956 D958 V981 Q984	E956-R960 IonicContact OE1-CZ 2.78Å; E956-R960 IonicContact OE1-NH1 3.88Å; E956-R960 IonicContact OE1-NH2 3.56Å; E956-R960 PolarHBondContact OE1-NH2 3.19Å; D958-R960 WeakPolarHBondContact OD1-CB 3.17Å; D958-R960 WeakPolarHBondContact OD1-CG 3.25Å; D958-R960 IonicContact OD1-CZ 3.72Å; D958-R960 PolarHBondContact OD1-N 3.03Å; D958-R960 IonicContact OD1-NE 3.31Å; D958-R960 PolarHBondContact OD1-NE 3.02Å; D958-R960 IonicContact OD1-NH2 3.69Å; D958-R960 IonicContact OD2-CZ 3.12Å; D958-R960 IonicContact OD2-NE 2.63Å; D958-R960 PolarHBondContact OD2-NE 2.8Å; D958-R960 IonicContact OD2-NH2 2.7Å; D958-R960 PolarHBondContact OD2-NH2 2.82Å; R960-V981 HydrophobicContact CG-CG1 4.18Å; R960-Q984 PolarHBondContact NE-O 3.24Å
961	R	90.1	Very high	91.3	Very high	193 Å²	193	54.3 Å²	54.3	73%	0.728	26%	0.257	S	S	*	.	S	Bend	trans	-103.2	120.1	174.6	-61.8	179.3	73.7	-151.8	4.4	108.2	F959 Y1002	F959-R961 VanDerWaalsContact C-N 3.33Å; R961-Y1002 HydrophobicContact CB-CD2 3.78Å; R961-Y1002 HydrophobicContact CB-CE2 3.87Å; R961-Y1002 WeakPolarHBondContact O-CD2 3.25Å
962	F	94.3	Very high	89.8	Confident	43 Å²	43	58.5 Å²	58.5	19%	0.189	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.2	176.8	57.9	-83.3	0	0	0	111.2	F959 M964 W979 V981 L988 A999 V1000 Y1002	F959-F962 WeakPolarHBondContact O-CD1 3.42Å; F962-M964 HydrophobicContact CD2-CG 3.98Å; F962-M964 HydrophobicContact CE2-CG 3.63Å; F962-M964 HydrophobicContact CE2-SD 4.21Å; F962-W979 HydrophobicContact CE2-CB 4.12Å; F962-W979 AromaticContact CE2-CD1 3.89Å; F962-W979 HydrophobicContact CE2-CG 4.1Å; F962-W979 HydrophobicContact CZ-CB 3.79Å; F962-W979 HydrophobicContact CZ-CG 4.27Å; F962-V981 HydrophobicContact CD1-CG2 4.49Å; F962-V981 HydrophobicContact CE1-CG2 3.77Å; F962-L988 HydrophobicContact CD1-CD2 4.32Å; F962-L988 HydrophobicContact CE1-CD2 4.2Å; F962-A999 HydrophobicContact CB-CB 4.4Å; F962-A999 HydrophobicContact CD2-CB 3.45Å; F962-A999 VanDerWaalsContact CD2-CB 3.45Å; F962-A999 HydrophobicContact CE2-CB 3.92Å; F962-A999 HydrophobicContact CG-CB 4.05Å; F962-V1000 CarbonylContact C-O 3.52Å; F962-V1000 WeakPolarHBondContact CA-O 3.28Å; F962-V1000 VanDerWaalsContact CB-O 3.28Å; F962-V1000 WeakPolarHBondContact CB-O 3.48Å; F962-Y1002 PolarHBondContact O-OH 3.45Å
963	Q	94.9	Very high	88.4	Confident	25 Å²	25	58.2 Å²	58.2	12%	0.117	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	170	-173.9	-174.3	6.5	0	0	108.6	S851 V965 V1000 Y1002 R1149	S851-Q963 PolarHBondContact O-NE2 3.03Å; Q963-V965 HydrophobicContact CG-CG2 4.11Å; Q963-V1000 PolarHBondContact N-O 3.27Å; Q963-V1000 PolarHBondContact O-N 3.1Å; Q963-Y1002 HydrophobicContact CB-CE1 4.34Å; Q963-R1149 VanDerWaalsContact OE1-CZ 3.29Å
964	M	93.5	Very high	87.4	Confident	111 Å²	111	59.2 Å²	59.2	55%	0.547	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.8	169.7	-69.4	-151.5	-66.4	0	0	110.6	F962 P966 I998	F962-M964 HydrophobicContact CD2-CG 3.98Å; F962-M964 HydrophobicContact CE2-CG 3.63Å; F962-M964 HydrophobicContact CE2-SD 4.21Å; M964-P966 WeakPolarHBondContact O-CD 3.45Å; M964-I998 WeakPolarHBondContact CA-O 3.29Å
965	V	95.8	Very high	86.8	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	99.2	-175.7	-176.8	0	0	0	0	109.8	Q963 L967 G997 I998 V1000 Y1031	Q963-V965 HydrophobicContact CG-CG2 4.11Å; V965-L967 HydrophobicContact CG1-CD2 4.06Å; V965-G997 VanDerWaalsContact O-CA 3.29Å; V965-G997 WeakPolarHBondContact O-CA 3.22Å; V965-I998 HydrophobicContact CB-CB 4.11Å; V965-I998 HydrophobicContact CB-CD1 4.28Å; V965-I998 HydrophobicContact CB-CG1 4.25Å; V965-I998 HydrophobicContact CG1-CD1 4.22Å; V965-I998 PolarHBondContact N-O 2.94Å; V965-I998 PolarHBondContact O-N 3.35Å; V965-V1000 HydrophobicContact CG2-CG2 3.81Å; V965-Y1031 HydrophobicContact CG1-CE2 4.3Å; V965-Y1031 HydrophobicContact CG2-CE2 4.33Å; V965-Y1031 WeakPolarHBondContact CG2-OH 3.4Å
966	P	93.9	Very high	86.3	Confident	43 Å²	43	65.5 Å²	65.5	28%	0.279	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.7	177.2	30.1	-32.7	0	0	0	110.9	M964 P969	M964-P966 WeakPolarHBondContact O-CD 3.45Å; P966-P969 HydrophobicContact CB-CB 4.31Å; P966-P969 HydrophobicContact CG-CB 4.29Å; P966-P969 WeakPolarHBondContact O-CD 2.9Å
967	L	94.3	Very high	86.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-91.9	-7.7	-174.9	-59.3	171.1	0	0	0	113.7	V965 P996 I998 F1037 G1075 L1078 L1082 Y1153	V965-L967 HydrophobicContact CG1-CD2 4.06Å; L967-P996 HydrophobicContact CB-CB 4.03Å; L967-P996 HydrophobicContact CB-CG 4.04Å; L967-P996 WeakPolarHBondContact CB-O 3.31Å; L967-P996 HydrophobicContact CD1-CB 4.4Å; L967-P996 PolarHBondContact N-O 2.96Å; L967-I998 HydrophobicContact CD1-CD1 4.03Å; L967-I998 HydrophobicContact CD1-CG1 3.77Å; L967-I998 HydrophobicContact CD2-CD1 4.07Å; L967-I998 HydrophobicContact CD2-CG1 4.41Å; L967-I998 HydrophobicContact CG-CD1 4.37Å; L967-I998 HydrophobicContact CG-CG1 4.19Å; L967-F1037 HydrophobicContact CD1-CZ 4.17Å; L967-F1037 HydrophobicContact CD2-CE1 4.26Å; L967-F1037 HydrophobicContact CD2-CZ 4.29Å; L967-G1075 PolarHBondContact O-N 3.32Å; L967-L1078 HydrophobicContact CD2-CD2 4.33Å; L967-L1082 HydrophobicContact CB-CD1 4.34Å; L967-L1082 HydrophobicContact CD1-CD1 3.76Å; L967-Y1153 HydrophobicContact CD1-CD2 4.33Å; L967-Y1153 HydrophobicContact CD1-CE2 3.84Å
968	D	91.9	Very high	85.9	Confident	6 Å²	6	66 Å²	66	3%	0.032	33%	0.327	C	S	.	.			trans	-141.6	68.1	165.4	-170.8	30.8	0	0	0	112.6	K970 G971 P996 G1075 E1076 R1079	D968-K970 PolarHBondContact O-N 3.28Å; D968-G971 PolarHBondContact O-N 3.37Å; D968-G971 WeakPolarHBondContact OD2-CA 3.32Å; D968-P996 HydrophobicContact CB-CG 4.02Å; D968-G1075 VanDerWaalsContact OD1-C 3.32Å; D968-G1075 VanDerWaalsContact OD1-CA 3.23Å; D968-G1075 WeakPolarHBondContact OD1-CA 3.48Å; D968-E1076 PolarHBondContact OD1-N 2.76Å; D968-R1079 HydrophobicContact CB-CB 4.21Å; D968-R1079 HydrophobicContact CB-CG 4.43Å; D968-R1079 IonicContact OD1-NH1 3.41Å; D968-R1079 WeakPolarHBondContact OD2-CD 3.38Å; D968-R1079 IonicContact OD2-CZ 3.01Å; D968-R1079 IonicContact OD2-NE 3.19Å; D968-R1079 IonicContact OD2-NH1 2.78Å; D968-R1079 PolarHBondContact OD2-NH1 3.2Å
969	P	84.5	Confident	85.8	Confident	60 Å²	60	65.4 Å²	65.4	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	6.8	-176.3	29.3	-36.2	0	0	0	114.3	P966 P1074	P966-P969 HydrophobicContact CB-CB 4.31Å; P966-P969 HydrophobicContact CG-CB 4.29Å; P966-P969 WeakPolarHBondContact O-CD 2.9Å; P969-P1074 HydrophobicContact CG-CB 4.32Å
970	K	75.8	Confident	85.6	Confident	178 Å²	178	67.8 Å²	67.8	77%	0.774	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	22.9	176.8	-67.4	156.2	-171.7	140.8	0	110.6	D968	D968-K970 PolarHBondContact O-N 3.28Å
971	G	66.3	Low	85.7	Confident	11 Å²	11	65 Å²	65	11%	0.113	33%	0.332	C	S	.	.			trans	-73.4	-177.5	-170	0	0	0	0	0	116.2	D968	D968-G971 PolarHBondContact O-N 3.37Å; D968-G971 WeakPolarHBondContact OD2-CA 3.32Å
972	T	61.6	Low	85.8	Confident	96 Å²	96	57.6 Å²	57.6	59%	0.589	30%	0.304	S	S	*	.	S	Bend	trans	-91.2	-16	-176	51.4	0	0	0	0	114.2	W1050	T972-W1050 PolarHBondContact OG1-NE1 3.1Å
973	S	64.9	Low	85.8	Confident	45 Å²	45	56.4 Å²	56.4	32%	0.315	30%	0.299	S	S	.	.	S	Bend	trans	-96.2	-46.9	-177.2	-30.8	0	0	0	0	109.3	I975 D995	S973-I975 PolarHBondContact O-N 2.91Å; S973-D995 WeakPolarHBondContact CA-OD2 3Å; S973-D995 VanDerWaalsContact CB-CG 3.44Å; S973-D995 VanDerWaalsContact CB-OD1 3.29Å; S973-D995 WeakPolarHBondContact CB-OD1 3.24Å; S973-D995 VanDerWaalsContact CB-OD2 3.24Å; S973-D995 WeakPolarHBondContact CB-OD2 3.46Å; S973-D995 PolarHBondContact N-OD2 3.27Å; S973-D995 VanDerWaalsContact OG-CG 3.29Å; S973-D995 PolarHBondContact OG-OD1 3.31Å; S973-D995 PolarHBondContact OG-OD2 2.78Å
974	Q	70.5	Confident	85.6	Confident	149 Å²	149	60.1 Å²	60.1	70%	0.696	32%	0.317	S	S	*	.			trans	52.9	42.7	-173.1	-50.7	-160.1	-91.8	0	0	111.6	D995	Q974-D995 PolarHBondContact N-OD2 3.31Å
975	I	83.4	Confident	85.6	Confident	84 Å²	84	54.9 Å²	54.9	43%	0.431	29%	0.291	S	S	.	.			trans	-119	105.6	171.3	-58.6	173.9	0	0	0	105.3	S973 V992 C994 D995	S973-I975 PolarHBondContact O-N 2.91Å; I975-V992 HydrophobicContact CG2-CG2 4.24Å; I975-C994 HydrophobicContact CG2-CB 4.45Å; I975-C994 VanDerWaalsContact O-CA 3.3Å; I975-C994 WeakPolarHBondContact O-CA 3.43Å; I975-C994 VanDerWaalsContact O-CB 3.27Å; I975-C994 WeakPolarHBondContact O-CB 3.15Å; I975-D995 PolarHBondContact O-N 3.35Å
976	D	84.8	Confident	85.6	Confident	99 Å²	99	56.6 Å²	56.6	53%	0.529	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-74	156.1	174.8	-61.8	-63.2	0	0	0	110.5	N978	D976-N978 PolarHBondContact O-N 3.02Å
977	P	90.4	Very high	85.8	Confident	12 Å²	12	54.6 Å²	54.6	8%	0.078	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.1	121.9	-178.5	-14.9	29.1	0	0	0	111.9	W979 Q990 C994 V1154	P977-W979 HydrophobicContact CB-CZ2 4.39Å; P977-W979 VanDerWaalsContact O-CD1 3.27Å; P977-Q990 HydrophobicContact CB-CG 4.22Å; P977-C994 HydrophobicContact CB-CB 4.19Å; P977-C994 HydrophobicContact CG-CB 4.04Å; P977-V1154 HydrophobicContact CB-CG2 3.86Å; P977-V1154 HydrophobicContact CG-CG2 3.95Å
978	N	91.6	Very high	85.9	Confident	80 Å²	80	54.6 Å²	54.6	43%	0.428	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-79.2	125.6	166.8	-176	65.9	0	0	0	110.6	D976 Q990 T991 V992	D976-N978 PolarHBondContact O-N 3.02Å; N978-Q990 WeakPolarHBondContact O-CA 3.15Å; N978-Q990 WeakPolarHBondContact O-CG 3.46Å; N978-T991 PolarHBondContact ND2-OG1 2.84Å; N978-T991 PolarHBondContact O-N 2.93Å; N978-V992 HydrophobicContact CB-CG1 4.35Å; N978-V992 HydrophobicContact CB-CG2 3.77Å
979	W	92.8	Very high	86.1	Confident	21 Å²	21	54.5 Å²	54.5	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.6	-179.5	-61.7	97.3	0	0	0	110.8	F962 P977 L988 Q990 A999 L1152 V1154 F1162	F962-W979 HydrophobicContact CE2-CB 4.12Å; F962-W979 AromaticContact CE2-CD1 3.89Å; F962-W979 HydrophobicContact CE2-CG 4.1Å; F962-W979 HydrophobicContact CZ-CB 3.79Å; F962-W979 HydrophobicContact CZ-CG 4.27Å; P977-W979 HydrophobicContact CB-CZ2 4.39Å; P977-W979 VanDerWaalsContact O-CD1 3.27Å; W979-L988 HydrophobicContact CB-CD2 4.49Å; W979-L988 HydrophobicContact CE3-CB 4.33Å; W979-L988 HydrophobicContact CE3-CD2 4.18Å; W979-Q990 HydrophobicContact CD2-CB 4.45Å; W979-Q990 HydrophobicContact CD2-CG 4.13Å; W979-Q990 HydrophobicContact CE3-CB 3.87Å; W979-Q990 HydrophobicContact CE3-CG 4.02Å; W979-Q990 HydrophobicContact CH2-CB 4.47Å; W979-Q990 HydrophobicContact CH2-CG 4.29Å; W979-Q990 HydrophobicContact CZ2-CG 4.38Å; W979-Q990 HydrophobicContact CZ3-CB 3.89Å; W979-Q990 HydrophobicContact CZ3-CG 4.11Å; W979-A999 HydrophobicContact CD2-CB 3.88Å; W979-A999 HydrophobicContact CE3-CB 4.3Å; W979-A999 HydrophobicContact CG-CB 4.34Å; W979-A999 HydrophobicContact CH2-CB 4.24Å; W979-A999 HydrophobicContact CZ2-CB 3.79Å; W979-A999 HydrophobicContact CZ3-CB 4.46Å; W979-L1152 HydrophobicContact CH2-CB 3.71Å; W979-L1152 HydrophobicContact CZ3-CB 3.8Å; W979-L1152 HydrophobicContact CZ3-CD1 4.23Å; W979-V1154 HydrophobicContact CH2-CG1 4.09Å; W979-V1154 HydrophobicContact CH2-CG2 4.2Å; W979-V1154 HydrophobicContact CZ2-CG2 3.95Å; W979-F1162 HydrophobicContact CH2-CE2 4.02Å; W979-F1162 AromaticContact CZ3-CD2 3.84Å; W979-F1162 HydrophobicContact CZ3-CD2 3.84Å; W979-F1162 AromaticContact CZ3-CE2 3.62Å; W979-F1162 HydrophobicContact CZ3-CE2 3.62Å
980	V	92.1	Very high	86.7	Confident	53 Å²	53	51.7 Å²	51.7	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.7	175.7	-178.4	0	0	0	0	108.8	L988 V989 T991	V980-L988 WeakPolarHBondContact O-CA 3.38Å; V980-V989 PolarHBondContact N-O 2.88Å; V980-V989 PolarHBondContact O-N 2.89Å; V980-T991 HydrophobicContact CG2-CG2 4.17Å
981	V	92.8	Very high	87.5	Confident	52 Å²	52	45.3 Å²	45.3	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.6	178.3	-178.1	0	0	0	0	111	R960 F962 L988	R960-V981 HydrophobicContact CG-CG1 4.18Å; F962-V981 HydrophobicContact CD1-CG2 4.49Å; F962-V981 HydrophobicContact CE1-CG2 3.77Å; V981-L988 HydrophobicContact CG2-CD2 4.3Å; V981-L988 HydrophobicContact CG2-CG 4.18Å
982	R	92.2	Very high	88.8	Confident	38 Å²	38	47 Å²	47	14%	0.143	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	176.8	174.9	-67.2	-178.4	178.1	170.9	-4.7	110.8	E739 Q984 G985 K986 E987	E739-R982 IonicContact OE2-CZ 2.7Å; E739-R982 IonicContact OE2-NH1 2.65Å; E739-R982 PolarHBondContact OE2-NH1 3.49Å; E739-R982 IonicContact OE2-NH2 3.28Å; E739-R982 PolarHBondContact OE2-NH2 3.48Å; R982-Q984 PolarHBondContact O-N 3.39Å; R982-G985 PolarHBondContact O-N 3.19Å; R982-K986 PolarHBondContact O-N 3.46Å; R982-E987 HydrophobicContact CB-CB 3.97Å; R982-E987 HydrophobicContact CB-CG 4.09Å; R982-E987 WeakPolarHBondContact CD-OE1 2.93Å; R982-E987 PolarHBondContact N-O 2.87Å; R982-E987 IonicContact NH1-OE1 2.7Å; R982-E987 PolarHBondContact O-N 2.61Å
983	H	93.3	Very high	90.2	Very high	19 Å²	19	44.6 Å²	44.6	9%	0.088	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	49.7	35.9	178.8	-164.6	177.2	0	0	0	112.7	S726 G727 E729 G985 K986 E987	S726-H983 VanDerWaalsContact C-ND1 3.26Å; S726-H983 WeakPolarHBondContact CB-ND1 3.32Å; S726-H983 PolarHBondContact O-CE1 3.16Å; S726-H983 VanDerWaalsContact O-CE1 3.23Å; S726-H983 PolarHBondContact O-ND1 3.12Å; S726-H983 PolarHBondContact OG-ND1 2.88Å; G727-H983 VanDerWaalsContact CA-CB 3.42Å; G727-H983 PolarHBondContact N-ND1 3.02Å; E729-H983 PolarHBondContact OE1-N 3.29Å; H983-G985 PolarHBondContact O-N 2.97Å; H983-G985 VanDerWaalsContact O-N 3.15Å; H983-K986 HydrophobicContact CB-CB 4.02Å; H983-K986 WeakPolarHBondContact O-CB 3.35Å; H983-K986 PolarHBondContact O-N 2.97Å; H983-E987 HydrophobicContact CB-CB 3.85Å
984	Q	91.8	Very high	91.5	Very high	103 Å²	103	42.5 Å²	42.5	48%	0.481	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	50.5	40	-178.3	-56.6	74.8	62.7	0	0	113.2	R960 R982	R960-Q984 PolarHBondContact NE-O 3.24Å; R982-Q984 PolarHBondContact O-N 3.39Å
985	G	92.4	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	101.9	-6.3	179.1	0	0	0	0	0	114.8	F959 R982 H983	F959-G985 WeakPolarHBondContact CB-O 3.12Å; F959-G985 PolarHBondContact N-O 2.6Å; R982-G985 PolarHBondContact O-N 3.19Å; H983-G985 PolarHBondContact O-N 2.97Å; H983-G985 VanDerWaalsContact O-N 3.15Å
986	K	96.5	Very high	92.9	Very high	40 Å²	40	31.9 Å²	31.9	17%	0.174	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.4	179.5	-64.7	145.4	-163.3	165.1	0	113.2	E956 T957 R982 H983 D1164 L1165	E956-K986 IonicContact OE2-NZ 2.69Å; E956-K986 PolarHBondContact OE2-NZ 3.35Å; T957-K986 HydrophobicContact CG2-CG 4.26Å; T957-K986 WeakPolarHBondContact O-CE 3.36Å; T957-K986 WeakPolarHBondContact O-CG 3.42Å; R982-K986 PolarHBondContact O-N 3.46Å; H983-K986 HydrophobicContact CB-CB 4.02Å; H983-K986 WeakPolarHBondContact O-CB 3.35Å; H983-K986 PolarHBondContact O-N 2.97Å; K986-D1164 PolarHBondContact O-N 3.02Å; K986-D1164 VanDerWaalsContact O-N 3.16Å; K986-L1165 WeakPolarHBondContact O-CB 3.2Å; K986-L1165 WeakPolarHBondContact O-CG 3.48Å; K986-L1165 PolarHBondContact O-N 2.86Å
987	E	97.5	Very high	93.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.2	173.2	178.8	167.1	112.3	0	0	111.1	S726 R982 H983 F1162 S1163	S726-E987 WeakPolarHBondContact CB-OE2 3.3Å; S726-E987 PolarHBondContact N-OE2 2.94Å; S726-E987 PolarHBondContact OG-OE2 2.8Å; R982-E987 HydrophobicContact CB-CB 3.97Å; R982-E987 HydrophobicContact CB-CG 4.09Å; R982-E987 WeakPolarHBondContact CD-OE1 2.93Å; R982-E987 PolarHBondContact N-O 2.87Å; R982-E987 IonicContact NH1-OE1 2.7Å; R982-E987 PolarHBondContact O-N 2.61Å; H983-E987 HydrophobicContact CB-CB 3.85Å; E987-F1162 VanDerWaalsContact CA-O 3.32Å; E987-F1162 WeakPolarHBondContact CA-O 3.05Å; E987-S1163 VanDerWaalsContact OE2-CB 3.28Å; E987-S1163 WeakPolarHBondContact OE2-CB 3.16Å; E987-S1163 PolarHBondContact OE2-OG 2.85Å
988	L	97.3	Very high	93.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.5	171.7	-81.9	85.2	0	0	0	110.4	F959 F962 W979 V980 V981 A999 L1152 F1162 L1165	F959-L988 HydrophobicContact CB-CD1 3.47Å; F959-L988 VanDerWaalsContact CB-CD1 3.47Å; F959-L988 HydrophobicContact CG-CD1 4.41Å; F962-L988 HydrophobicContact CD1-CD2 4.32Å; F962-L988 HydrophobicContact CE1-CD2 4.2Å; W979-L988 HydrophobicContact CB-CD2 4.49Å; W979-L988 HydrophobicContact CE3-CB 4.33Å; W979-L988 HydrophobicContact CE3-CD2 4.18Å; V980-L988 WeakPolarHBondContact O-CA 3.38Å; V981-L988 HydrophobicContact CG2-CD2 4.3Å; V981-L988 HydrophobicContact CG2-CG 4.18Å; L988-A999 HydrophobicContact CD2-CB 4.46Å; L988-L1152 HydrophobicContact CB-CD1 3.63Å; L988-L1152 HydrophobicContact CD1-CD1 4.19Å; L988-L1152 HydrophobicContact CD2-CD1 4.11Å; L988-L1152 HydrophobicContact CG-CD1 4.18Å; L988-F1162 PolarHBondContact N-O 3.05Å; L988-F1162 WeakPolarHBondContact O-CB 3.39Å; L988-F1162 PolarHBondContact O-N 3.25Å; L988-L1165 HydrophobicContact CD1-CD1 4.05Å
989	V	96.6	Very high	94	Very high	4 Å²	4	23 Å²	23	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.3	176	-175	0	0	0	0	109.4	V980 T991 V1160 Y1161	V980-V989 PolarHBondContact N-O 2.88Å; V980-V989 PolarHBondContact O-N 2.89Å; V989-T991 HydrophobicContact CG1-CG2 4.2Å; V989-V1160 CarbonylContact C-O 3.54Å; V989-V1160 WeakPolarHBondContact CA-O 3.45Å; V989-Y1161 HydrophobicContact CG1-CD1 4.21Å; V989-Y1161 HydrophobicContact CG1-CD2 3.97Å; V989-Y1161 HydrophobicContact CG1-CE1 3.98Å; V989-Y1161 HydrophobicContact CG1-CE2 3.67Å; V989-Y1161 HydrophobicContact CG1-CG 4.19Å; V989-Y1161 HydrophobicContact CG2-CD1 3.66Å; V989-Y1161 HydrophobicContact CG2-CE1 3.83Å; V989-Y1161 HydrophobicContact CG2-CG 4.14Å
990	Q	96.1	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.9	177.8	-160.4	-70.4	-32.1	0	0	109.3	P977 N978 W979 V992 C994 V1154 Q1157 M1159 V1160	P977-Q990 HydrophobicContact CB-CG 4.22Å; N978-Q990 WeakPolarHBondContact O-CA 3.15Å; N978-Q990 WeakPolarHBondContact O-CG 3.46Å; W979-Q990 HydrophobicContact CD2-CB 4.45Å; W979-Q990 HydrophobicContact CD2-CG 4.13Å; W979-Q990 HydrophobicContact CE3-CB 3.87Å; W979-Q990 HydrophobicContact CE3-CG 4.02Å; W979-Q990 HydrophobicContact CH2-CB 4.47Å; W979-Q990 HydrophobicContact CH2-CG 4.29Å; W979-Q990 HydrophobicContact CZ2-CG 4.38Å; W979-Q990 HydrophobicContact CZ3-CB 3.89Å; W979-Q990 HydrophobicContact CZ3-CG 4.11Å; Q990-V992 PolarHBondContact NE2-O 2.77Å; Q990-V992 PolarHBondContact OE1-O 2.83Å; Q990-C994 PolarHBondContact NE2-SG 3.42Å; Q990-V1154 HydrophobicContact CB-CG1 4.18Å; Q990-V1154 HydrophobicContact CG-CB 4.5Å; Q990-V1154 HydrophobicContact CG-CG1 3.94Å; Q990-V1154 HydrophobicContact CG-CG2 3.96Å; Q990-Q1157 PolarHBondContact OE1-O 2.71Å; Q990-M1159 CarbonylContact O-C 3.23Å; Q990-M1159 WeakPolarHBondContact O-CA 3.49Å; Q990-M1159 PolarHBondContact O-N 2.92Å; Q990-V1160 HydrophobicContact CB-CB 4.39Å; Q990-V1160 PolarHBondContact N-O 2.68Å; Q990-V1160 PolarHBondContact O-N 3.03Å
991	T	92.6	Very high	94.5	Very high	45 Å²	45	19.6 Å²	19.6	28%	0.276	10%	0.102	S	C	.	.			trans	-108.2	-8.1	-161.7	64.7	0	0	0	0	116	N978 V980 V989	N978-T991 PolarHBondContact ND2-OG1 2.84Å; N978-T991 PolarHBondContact O-N 2.93Å; V980-T991 HydrophobicContact CG2-CG2 4.17Å; V989-T991 HydrophobicContact CG1-CG2 4.2Å
992	V	92.8	Very high	94.6	Very high	47 Å²	47	21.3 Å²	21.3	29%	0.285	10%	0.104	S	C	.	.	S	Bend	trans	-132.5	137.6	-170.4	-63.9	0	0	0	0	113.3	I975 N978 Q990 C994	I975-V992 HydrophobicContact CG2-CG2 4.24Å; N978-V992 HydrophobicContact CB-CG1 4.35Å; N978-V992 HydrophobicContact CB-CG2 3.77Å; Q990-V992 PolarHBondContact NE2-O 2.77Å; Q990-V992 PolarHBondContact OE1-O 2.83Å; V992-C994 HydrophobicContact CG2-CB 4.45Å; V992-C994 PolarHBondContact O-N 3.25Å; V992-C994 VanDerWaalsContact O-N 3.16Å; V992-C994 PolarHBondContact O-SG 3.16Å
993	N	92.2	Very high	94.8	Very high	45 Å²	45	21.4 Å²	21.4	24%	0.241	11%	0.107	C	C	.	.			trans	-64.5	116.6	170.2	-174.8	-35.2	0	0	0	109.2	D1021 S1156 E1158	N993-D1021 PolarHBondContact ND2-OD2 2.71Å; N993-S1156 PolarHBondContact ND2-O 3.36Å; N993-S1156 WeakPolarHBondContact OD1-CA 3.41Å; N993-E1158 HydrophobicContact CB-CB 4.25Å
994	C	90.9	Very high	95	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.109	C	C	.	.			trans	-133.5	159.5	-163.3	49.3	0	0	0	0	113.3	I975 P977 Q990 V992 S1156	I975-C994 HydrophobicContact CG2-CB 4.45Å; I975-C994 VanDerWaalsContact O-CA 3.3Å; I975-C994 WeakPolarHBondContact O-CA 3.43Å; I975-C994 VanDerWaalsContact O-CB 3.27Å; I975-C994 WeakPolarHBondContact O-CB 3.15Å; P977-C994 HydrophobicContact CB-CB 4.19Å; P977-C994 HydrophobicContact CG-CB 4.04Å; Q990-C994 PolarHBondContact NE2-SG 3.42Å; V992-C994 HydrophobicContact CG2-CB 4.45Å; V992-C994 PolarHBondContact O-N 3.25Å; V992-C994 VanDerWaalsContact O-N 3.16Å; V992-C994 PolarHBondContact O-SG 3.16Å; C994-S1156 WeakPolarHBondContact O-CA 3.42Å; C994-S1156 PolarHBondContact O-N 2.78Å
995	D	90.3	Very high	95.3	Very high	6 Å²	6	17 Å²	17	3%	0.032	9%	0.087	C	C	.	.	S	Bend	trans	-62.3	156.6	164.5	-83.6	-31.9	0	0	0	109.9	S973 Q974 I975 G997	S973-D995 WeakPolarHBondContact CA-OD2 3Å; S973-D995 VanDerWaalsContact CB-CG 3.44Å; S973-D995 VanDerWaalsContact CB-OD1 3.29Å; S973-D995 WeakPolarHBondContact CB-OD1 3.24Å; S973-D995 VanDerWaalsContact CB-OD2 3.24Å; S973-D995 WeakPolarHBondContact CB-OD2 3.46Å; S973-D995 PolarHBondContact N-OD2 3.27Å; S973-D995 VanDerWaalsContact OG-CG 3.29Å; S973-D995 PolarHBondContact OG-OD1 3.31Å; S973-D995 PolarHBondContact OG-OD2 2.78Å; Q974-D995 PolarHBondContact N-OD2 3.31Å; I975-D995 PolarHBondContact O-N 3.35Å; D995-G997 PolarHBondContact O-N 3.44Å
996	P	94.5	Very high	95.3	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.019	9%	0.089	C	C	.	.	S	Bend	trans	-62.1	131.1	-170.6	26.1	-36.2	0	0	0	111.9	L967 D968 R1079 V1154 F1155	L967-P996 HydrophobicContact CB-CB 4.03Å; L967-P996 HydrophobicContact CB-CG 4.04Å; L967-P996 WeakPolarHBondContact CB-O 3.31Å; L967-P996 HydrophobicContact CD1-CB 4.4Å; L967-P996 PolarHBondContact N-O 2.96Å; D968-P996 HydrophobicContact CB-CG 4.02Å; P996-R1079 HydrophobicContact CG-CB 4.43Å; P996-R1079 HydrophobicContact CG-CG 4.1Å; P996-V1154 WeakPolarHBondContact CA-O 3.32Å; P996-F1155 HydrophobicContact CB-CB 3.94Å; P996-F1155 HydrophobicContact CB-CD1 3.82Å; P996-F1155 HydrophobicContact CB-CD2 3.8Å; P996-F1155 HydrophobicContact CB-CE1 4.26Å; P996-F1155 HydrophobicContact CB-CE2 4.19Å; P996-F1155 HydrophobicContact CB-CG 3.6Å; P996-F1155 HydrophobicContact CB-CZ 4.43Å; P996-F1155 HydrophobicContact CG-CD1 4.17Å; P996-F1155 HydrophobicContact CG-CD2 4.43Å; P996-F1155 HydrophobicContact CG-CE1 4.14Å; P996-F1155 HydrophobicContact CG-CE2 4.35Å; P996-F1155 HydrophobicContact CG-CG 4.36Å; P996-F1155 HydrophobicContact CG-CZ 4.23Å
997	G	94.9	Very high	95.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.6	-178.5	0	0	0	0	0	113.9	V965 D995 V1154	V965-G997 VanDerWaalsContact O-CA 3.29Å; V965-G997 WeakPolarHBondContact O-CA 3.22Å; D995-G997 PolarHBondContact O-N 3.44Å; G997-V1154 PolarHBondContact N-O 3.48Å; G997-V1154 PolarHBondContact O-N 3.06Å; G997-V1154 VanDerWaalsContact O-N 3.15Å
998	I	97.3	Very high	95.2	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.7	-179.2	-32.8	171.9	0	0	0	109.4	M964 V965 L967 V1000 V1028 Y1031 F1037 L1152 Y1153	M964-I998 WeakPolarHBondContact CA-O 3.29Å; V965-I998 HydrophobicContact CB-CB 4.11Å; V965-I998 HydrophobicContact CB-CD1 4.28Å; V965-I998 HydrophobicContact CB-CG1 4.25Å; V965-I998 HydrophobicContact CG1-CD1 4.22Å; V965-I998 PolarHBondContact N-O 2.94Å; V965-I998 PolarHBondContact O-N 3.35Å; L967-I998 HydrophobicContact CD1-CD1 4.03Å; L967-I998 HydrophobicContact CD1-CG1 3.77Å; L967-I998 HydrophobicContact CD2-CD1 4.07Å; L967-I998 HydrophobicContact CD2-CG1 4.41Å; L967-I998 HydrophobicContact CG-CD1 4.37Å; L967-I998 HydrophobicContact CG-CG1 4.19Å; I998-V1000 HydrophobicContact CB-CG2 3.91Å; I998-V1000 HydrophobicContact CG2-CG2 3.58Å; I998-V1028 HydrophobicContact CD1-CG1 4.16Å; I998-V1028 HydrophobicContact CG2-CB 4.43Å; I998-V1028 HydrophobicContact CG2-CG1 3.9Å; I998-V1028 HydrophobicContact CG2-CG2 3.62Å; I998-Y1031 HydrophobicContact CD1-CD2 4.05Å; I998-Y1031 HydrophobicContact CD1-CE2 3.79Å; I998-F1037 HydrophobicContact CD1-CE1 4.16Å; I998-F1037 HydrophobicContact CD1-CE2 4.08Å; I998-F1037 HydrophobicContact CD1-CZ 3.86Å; I998-L1152 CarbonylContact C-O 3.54Å; I998-L1152 VanDerWaalsContact CA-O 3.26Å; I998-L1152 WeakPolarHBondContact CA-O 3.37Å; I998-L1152 WeakPolarHBondContact CG2-O 3.44Å; I998-Y1153 HydrophobicContact CG1-CD2 4.35Å
999	A	97.4	Very high	95.2	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.8	157.2	0	0	0	0	0	107.9	F962 W979 L988 G1151 L1152	F962-A999 HydrophobicContact CB-CB 4.4Å; F962-A999 HydrophobicContact CD2-CB 3.45Å; F962-A999 VanDerWaalsContact CD2-CB 3.45Å; F962-A999 HydrophobicContact CE2-CB 3.92Å; F962-A999 HydrophobicContact CG-CB 4.05Å; W979-A999 HydrophobicContact CD2-CB 3.88Å; W979-A999 HydrophobicContact CE3-CB 4.3Å; W979-A999 HydrophobicContact CG-CB 4.34Å; W979-A999 HydrophobicContact CH2-CB 4.24Å; W979-A999 HydrophobicContact CZ2-CB 3.79Å; W979-A999 HydrophobicContact CZ3-CB 4.46Å; L988-A999 HydrophobicContact CD2-CB 4.46Å; A999-G1151 CarbonylContact O-C 3.33Å; A999-G1151 WeakPolarHBondContact O-CA 3.02Å; A999-L1152 PolarHBondContact N-O 2.97Å; A999-L1152 PolarHBondContact O-N 3.15Å
1000	V	97.9	Very high	95.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.8	-177.8	-169.6	0	0	0	0	109	F962 Q963 V965 I998 Y1031 R1149 L1150	F962-V1000 CarbonylContact C-O 3.52Å; F962-V1000 WeakPolarHBondContact CA-O 3.28Å; F962-V1000 VanDerWaalsContact CB-O 3.28Å; F962-V1000 WeakPolarHBondContact CB-O 3.48Å; Q963-V1000 PolarHBondContact N-O 3.27Å; Q963-V1000 PolarHBondContact O-N 3.1Å; V965-V1000 HydrophobicContact CG2-CG2 3.81Å; I998-V1000 HydrophobicContact CB-CG2 3.91Å; I998-V1000 HydrophobicContact CG2-CG2 3.58Å; V1000-Y1031 HydrophobicContact CG1-CD1 3.75Å; V1000-Y1031 HydrophobicContact CG1-CE1 4.32Å; V1000-Y1031 HydrophobicContact CG1-CG 3.91Å; V1000-Y1031 HydrophobicContact CG2-CD1 4.28Å; V1000-Y1031 HydrophobicContact CG2-CD2 3.99Å; V1000-Y1031 HydrophobicContact CG2-CE1 4.35Å; V1000-Y1031 HydrophobicContact CG2-CE2 4.04Å; V1000-Y1031 HydrophobicContact CG2-CG 4.12Å; V1000-R1149 HydrophobicContact CG1-CB 3.63Å; V1000-L1150 CarbonylContact C-O 3.51Å; V1000-L1150 WeakPolarHBondContact CA-O 3.39Å; V1000-L1150 WeakPolarHBondContact CG1-O 3.2Å
1001	G	96.6	Very high	95.4	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	171.3	172	0	0	0	0	0	111.8	R1149 L1150	G1001-R1149 WeakPolarHBondContact O-CD 3.43Å; G1001-R1149 PolarHBondContact O-NH1 3.49Å; G1001-R1149 VanDerWaalsContact O-NH1 3.17Å; G1001-L1150 PolarHBondContact N-O 3Å
1002	Y	95.8	Very high	95.6	Very high	88 Å²	88	15.3 Å²	15.3	35%	0.345	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-30.5	173.7	-71.9	-74.2	0	0	0	112.5	R961 F962 Q963 R1149	R961-Y1002 HydrophobicContact CB-CD2 3.78Å; R961-Y1002 HydrophobicContact CB-CE2 3.87Å; R961-Y1002 WeakPolarHBondContact O-CD2 3.25Å; F962-Y1002 PolarHBondContact O-OH 3.45Å; Q963-Y1002 HydrophobicContact CB-CE1 4.34Å; Y1002-R1149 VanDerWaalsContact O-CD 3.29Å; Y1002-R1149 WeakPolarHBondContact O-CD 3.36Å
1003	D	97.1	Very high	95.9	Very high	41 Å²	41	13.1 Å²	13.1	22%	0.219	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	135	178.9	-58.4	27.2	0	0	0	113.3	I954 F1005 R1149 Y1167	I954-D1003 HydrophobicContact CD1-CB 4.19Å; I954-D1003 WeakPolarHBondContact CG2-OD2 3.11Å; D1003-F1005 HydrophobicContact CB-CE2 3.72Å; D1003-F1005 HydrophobicContact CB-CZ 3.64Å; D1003-F1005 VanDerWaalsContact O-CE2 3.28Å; D1003-F1005 WeakPolarHBondContact O-CE2 3.17Å; D1003-R1149 WeakPolarHBondContact O-CG 3.39Å; D1003-Y1167 VanDerWaalsContact CG-OH 3.32Å; D1003-Y1167 PolarHBondContact OD2-OH 3.46Å
1004	E	97.1	Very high	96	Very high	26 Å²	26	11.2 Å²	11.2	12%	0.121	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.5	-172.8	-79.8	169.5	-170.8	0	0	111.9	R853 H869 A882 N883 R1149	R853-E1004 IonicContact CZ-OE1 3.95Å; R853-E1004 VanDerWaalsContact CZ-OE1 3.28Å; R853-E1004 IonicContact NH1-OE1 3.47Å; R853-E1004 PolarHBondContact NH1-OE1 2.77Å; R853-E1004 IonicContact NH2-OE1 2.96Å; R853-E1004 PolarHBondContact NH2-OE1 2.8Å; H869-E1004 IonicContact CE1-OE2 2.81Å; H869-E1004 PolarHBondContact CE1-OE2 2.89Å; H869-E1004 IonicContact NE2-OE2 2.73Å; H869-E1004 PolarHBondContact NE2-OE2 3.37Å; A882-E1004 VanDerWaalsContact O-CB 3.29Å; A882-E1004 WeakPolarHBondContact O-CB 3.31Å; N883-E1004 HydrophobicContact CB-CB 4.3Å; N883-E1004 VanDerWaalsContact CB-O 3.23Å; N883-E1004 WeakPolarHBondContact CB-O 3.19Å; E1004-R1149 HydrophobicContact CB-CG 4.42Å; E1004-R1149 HydrophobicContact CG-CG 3.27Å; E1004-R1149 WeakPolarHBondContact OE1-CD 3.01Å; E1004-R1149 IonicContact OE1-NE 2.74Å
1005	F	97.3	Very high	96.3	Very high	3 Å²	3	11.4 Å²	11.4	1%	0.013	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.8	-170.4	-55.6	-87.4	0	0	0	113.4	I954 D1003 V1008 G1147 G1148 L1150 Y1167	I954-F1005 HydrophobicContact CD1-CE1 4.35Å; I954-F1005 HydrophobicContact CG2-CE1 4.34Å; D1003-F1005 HydrophobicContact CB-CE2 3.72Å; D1003-F1005 HydrophobicContact CB-CZ 3.64Å; D1003-F1005 VanDerWaalsContact O-CE2 3.28Å; D1003-F1005 WeakPolarHBondContact O-CE2 3.17Å; F1005-V1008 HydrophobicContact CB-CB 3.86Å; F1005-V1008 HydrophobicContact CB-CG1 4.07Å; F1005-V1008 HydrophobicContact CB-CG2 4.39Å; F1005-V1008 HydrophobicContact CD1-CB 4.18Å; F1005-V1008 HydrophobicContact CD1-CG2 3.91Å; F1005-V1008 HydrophobicContact CE1-CG2 4.43Å; F1005-V1008 HydrophobicContact CG-CB 4.08Å; F1005-V1008 HydrophobicContact CG-CG2 4.05Å; F1005-G1147 CarbonylContact O-C 3.53Å; F1005-G1147 VanDerWaalsContact O-CA 3.28Å; F1005-G1147 WeakPolarHBondContact O-CA 2.98Å; F1005-G1148 PolarHBondContact N-O 2.91Å; F1005-G1148 VanDerWaalsContact N-O 3.15Å; F1005-G1148 PolarHBondContact O-N 2.04Å; F1005-G1148 VanDerWaalsContact O-N 3.09Å; F1005-L1150 HydrophobicContact CD2-CD1 4.02Å; F1005-L1150 HydrophobicContact CD2-CG 3.8Å; F1005-L1150 HydrophobicContact CE2-CB 4.42Å; F1005-L1150 HydrophobicContact CE2-CD1 3.69Å; F1005-L1150 HydrophobicContact CE2-CG 3.77Å; F1005-L1150 HydrophobicContact CZ-CD1 4.17Å; F1005-Y1167 AromaticContact CE1-CD2 3.64Å; F1005-Y1167 HydrophobicContact CE1-CD2 3.64Å; F1005-Y1167 AromaticContact CE1-CE2 3.98Å; F1005-Y1167 HydrophobicContact CE1-CE2 3.98Å; F1005-Y1167 HydrophobicContact CE1-CG 4.19Å; F1005-Y1167 HydrophobicContact CZ-CD1 4.21Å; F1005-Y1167 AromaticContact CZ-CD2 3.45Å; F1005-Y1167 HydrophobicContact CZ-CD2 3.45Å; F1005-Y1167 VanDerWaalsContact CZ-CD2 3.45Å; F1005-Y1167 HydrophobicContact CZ-CE1 4.24Å; F1005-Y1167 AromaticContact CZ-CE2 3.5Å; F1005-Y1167 HydrophobicContact CZ-CE2 3.5Å; F1005-Y1167 VanDerWaalsContact CZ-CE2 3.5Å; F1005-Y1167 AromaticContact CZ-CG 3.81Å; F1005-Y1167 HydrophobicContact CZ-CG 3.81Å; F1005-Y1167 AromaticContact CZ-CZ 3.89Å
1006	S	92.8	Very high	96.7	Very high	7 Å²	7	11.2 Å²	11.2	5%	0.049	6%	0.056	C	C	.	.	S	Bend	trans	-74.7	-34.1	168.6	-74.9	0	0	0	0	113.1	N881 A882 N883 P1118	N881-S1006 WeakPolarHBondContact CA-OG 3.34Å; A882-S1006 PolarHBondContact N-OG 2.98Å; A882-S1006 VanDerWaalsContact N-OG 3.14Å; N883-S1006 WeakPolarHBondContact OD1-CB 3.34Å; N883-S1006 PolarHBondContact OD1-OG 2.97Å; S1006-P1118 WeakPolarHBondContact O-CD 3.27Å; S1006-P1118 VanDerWaalsContact O-CG 3.28Å; S1006-P1118 WeakPolarHBondContact O-CG 3.47Å
1007	A	95.3	Very high	96.8	Very high	3 Å²	3	12.9 Å²	12.9	3%	0.025	7%	0.065	C	C	.	.	S	Bend	trans	-156.4	129.5	174.5	0	0	0	0	0	110.8	R1170 D1171	A1007-R1170 VanDerWaalsContact CB-O 3.29Å; A1007-R1170 WeakPolarHBondContact CB-O 3.29Å; A1007-R1170 PolarHBondContact O-N 2.95Å; A1007-D1171 HydrophobicContact CB-CB 4.48Å
1008	V	97.6	Very high	96.8	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.8	-164.4	63.9	0	0	0	0	113.3	F1005 H1116 R1117 L1150 E1168	F1005-V1008 HydrophobicContact CB-CB 3.86Å; F1005-V1008 HydrophobicContact CB-CG1 4.07Å; F1005-V1008 HydrophobicContact CB-CG2 4.39Å; F1005-V1008 HydrophobicContact CD1-CB 4.18Å; F1005-V1008 HydrophobicContact CD1-CG2 3.91Å; F1005-V1008 HydrophobicContact CE1-CG2 4.43Å; F1005-V1008 HydrophobicContact CG-CB 4.08Å; F1005-V1008 HydrophobicContact CG-CG2 4.05Å; V1008-H1116 HydrophobicContact CG1-CB 4.08Å; V1008-H1116 PolarHBondContact N-O 3.16Å; V1008-H1116 VanDerWaalsContact N-O 3.07Å; V1008-H1116 PolarHBondContact O-N 2.52Å; V1008-H1116 VanDerWaalsContact O-O 3.12Å; V1008-R1117 PolarHBondContact O-NH1 2.84Å; V1008-R1117 VanDerWaalsContact O-NH1 3.11Å; V1008-L1150 HydrophobicContact CG1-CD2 4.38Å; V1008-L1150 HydrophobicContact CG2-CD1 4.15Å; V1008-E1168 WeakPolarHBondContact CA-O 3.35Å
1009	D	97.4	Very high	96.6	Very high	28 Å²	28	19.1 Å²	19.1	15%	0.15	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133	156.2	-70.1	-32.6	0	0	0	108.2	L1114 T1115 R1117 Y1167 E1168 R1170	D1009-L1114 WeakPolarHBondContact CA-O 3.35Å; D1009-T1115 WeakPolarHBondContact OD1-CA 3.49Å; D1009-T1115 WeakPolarHBondContact OD1-CB 3.34Å; D1009-T1115 WeakPolarHBondContact OD1-CG2 3.25Å; D1009-T1115 PolarHBondContact OD1-OG1 2.9Å; D1009-R1117 VanDerWaalsContact CG-NH2 3.28Å; D1009-R1117 IonicContact OD1-CZ 3.16Å; D1009-R1117 IonicContact OD1-NH1 2.84Å; D1009-R1117 PolarHBondContact OD1-NH1 3.49Å; D1009-R1117 IonicContact OD1-NH2 3.01Å; D1009-R1117 PolarHBondContact OD1-NH2 3.43Å; D1009-R1117 VanDerWaalsContact OD1-NH2 3.12Å; D1009-R1117 IonicContact OD2-CZ 2.83Å; D1009-R1117 IonicContact OD2-NH1 2.83Å; D1009-R1117 IonicContact OD2-NH2 3.33Å; D1009-R1117 PolarHBondContact OD2-NH2 2.94Å; D1009-Y1167 CarbonylContact O-C 3.39Å; D1009-Y1167 VanDerWaalsContact O-CA 3.32Å; D1009-Y1167 WeakPolarHBondContact O-CA 3.26Å; D1009-E1168 PolarHBondContact N-O 3.31Å; D1009-E1168 PolarHBondContact O-N 2.77Å; D1009-R1170 HydrophobicContact CB-CG 4.38Å
1010	F	98.4	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.3	-177.5	174.8	-131.8	0	0	0	110.7	F959 F1027 W1112 L1114 L1150 L1152 L1165 K1166 Y1167	F959-F1010 HydrophobicContact CE2-CE2 4.16Å; F959-F1010 HydrophobicContact CE2-CZ 4.4Å; F959-F1010 HydrophobicContact CZ-CE2 4.21Å; F959-F1010 HydrophobicContact CZ-CZ 4.17Å; F1010-F1027 HydrophobicContact CD1-CD2 4.03Å; F1010-F1027 HydrophobicContact CD1-CE2 4.34Å; F1010-F1027 HydrophobicContact CE1-CB 4.11Å; F1010-F1027 HydrophobicContact CE1-CD2 4.02Å; F1010-F1027 HydrophobicContact CE1-CG 4.16Å; F1010-W1112 AromaticContact CD1-NE1 3.77Å; F1010-W1112 HydrophobicContact CE1-CZ2 4.02Å; F1010-W1112 AromaticContact CE1-NE1 3.76Å; F1010-W1112 AromaticContact CZ-CZ2 3.87Å; F1010-W1112 HydrophobicContact CZ-CZ2 3.87Å; F1010-L1114 HydrophobicContact CB-CB 4.27Å; F1010-L1114 HydrophobicContact CB-CD2 4.2Å; F1010-L1114 PolarHBondContact N-O 3.49Å; F1010-L1114 VanDerWaalsContact N-O 3.09Å; F1010-L1114 WeakPolarHBondContact O-CB 3.49Å; F1010-L1114 PolarHBondContact O-N 3.23Å; F1010-L1150 HydrophobicContact CB-CD1 4.03Å; F1010-L1150 HydrophobicContact CB-CD2 4.25Å; F1010-L1150 HydrophobicContact CD1-CD1 4.28Å; F1010-L1150 HydrophobicContact CD1-CD2 4.04Å; F1010-L1150 HydrophobicContact CD2-CD1 3.86Å; F1010-L1150 HydrophobicContact CE2-CD1 4.37Å; F1010-L1150 HydrophobicContact CG-CD1 3.82Å; F1010-L1150 HydrophobicContact CG-CD2 4.22Å; F1010-L1152 HydrophobicContact CZ-CD2 4.44Å; F1010-L1165 HydrophobicContact CE2-CD2 4.42Å; F1010-L1165 HydrophobicContact CZ-CD2 4.28Å; F1010-K1166 WeakPolarHBondContact CD2-O 3.45Å; F1010-Y1167 HydrophobicContact CD2-CD1 4.35Å; F1010-Y1167 HydrophobicContact CE2-CD1 4.42Å
1011	S	97.6	Very high	96.1	Very high	15 Å²	15	29.7 Å²	29.7	11%	0.105	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.5	-177.7	76.6	0	0	0	0	111.3	R1111 W1112 K1166	S1011-R1111 PolarHBondContact OG-NH2 2.73Å; S1011-W1112 VanDerWaalsContact CA-O 3.28Å; S1011-W1112 WeakPolarHBondContact CA-O 3.07Å; S1011-W1112 WeakPolarHBondContact CB-O 3.1Å; S1011-K1166 PolarHBondContact N-O 2.67Å; S1011-K1166 PolarHBondContact O-N 3.2Å
1012	G	97.6	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	167.5	178.3	0	0	0	0	0	110.6	R1111 W1112	G1012-R1111 WeakPolarHBondContact O-CA 3.07Å; G1012-R1111 VanDerWaalsContact O-CD 3.27Å; G1012-R1111 WeakPolarHBondContact O-CD 3.07Å; G1012-W1112 VanDerWaalsContact C-CE3 3.44Å; G1012-W1112 VanDerWaalsContact C-CZ3 3.5Å; G1012-W1112 PolarHBondContact N-O 3.1Å; G1012-W1112 VanDerWaalsContact O-CD2 3.28Å; G1012-W1112 PolarHBondContact O-N 3.36Å
1013	T	98	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.3	-178.5	-74.5	0	0	0	0	110.2	D696 L697 P724 Y1110 R1111 F1162 S1163	D696-T1013 VanDerWaalsContact O-CG2 3.25Å; D696-T1013 WeakPolarHBondContact O-CG2 3.18Å; L697-T1013 HydrophobicContact CB-CG2 3.85Å; L697-T1013 WeakPolarHBondContact CB-OG1 3.25Å; L697-T1013 WeakPolarHBondContact O-CB 3.34Å; L697-T1013 PolarHBondContact O-OG1 3.2Å; P724-T1013 HydrophobicContact CB-CG2 4.31Å; P724-T1013 HydrophobicContact CG-CG2 4.03Å; T1013-Y1110 CarbonylContact C-O 3.55Å; T1013-Y1110 WeakPolarHBondContact CA-O 3.4Å; T1013-R1111 WeakPolarHBondContact OG1-CD 3.42Å; T1013-R1111 PolarHBondContact OG1-NH1 3.05Å; T1013-F1162 CarbonylContact O-C 3.5Å; T1013-F1162 VanDerWaalsContact O-CA 3.32Å; T1013-F1162 WeakPolarHBondContact O-CA 3.29Å; T1013-S1163 WeakPolarHBondContact CB-O 3.24Å; T1013-S1163 PolarHBondContact N-O 3.28Å; T1013-S1163 PolarHBondContact O-N 3.33Å
1014	F	94.8	Very high	96	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.022	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120	-177.4	178.7	-100.1	0	0	0	109.1	I1016 A1025 W1042 W1104 Y1110 W1112 V1160 Y1161 F1162	F1014-I1016 HydrophobicContact CE1-CD1 4.09Å; F1014-I1016 HydrophobicContact CE1-CG1 4.43Å; F1014-I1016 HydrophobicContact CE2-CD1 4.46Å; F1014-I1016 HydrophobicContact CZ-CD1 3.65Å; F1014-I1016 HydrophobicContact CZ-CG1 4.13Å; F1014-A1025 HydrophobicContact CE2-CB 3.65Å; F1014-A1025 HydrophobicContact CZ-CB 4.06Å; F1014-W1042 AromaticContact CD1-CE3 3.86Å; F1014-W1042 HydrophobicContact CD1-CE3 3.86Å; F1014-W1042 AromaticContact CD1-CZ3 3.87Å; F1014-W1042 HydrophobicContact CD1-CZ3 3.87Å; F1014-W1042 AromaticContact CE1-CE3 3.7Å; F1014-W1042 HydrophobicContact CE1-CE3 3.7Å; F1014-W1042 HydrophobicContact CE1-CZ3 4.03Å; F1014-W1042 HydrophobicContact CZ-CE3 4.5Å; F1014-W1104 HydrophobicContact CE1-CB 3.94Å; F1014-W1104 AromaticContact CE1-CD1 3.98Å; F1014-W1104 AromaticContact CE1-CG 3.99Å; F1014-W1104 HydrophobicContact CE1-CG 3.99Å; F1014-W1104 HydrophobicContact CZ-CG 4.43Å; F1014-Y1110 HydrophobicContact CD1-CD2 4.1Å; F1014-Y1110 PolarHBondContact N-O 2.7Å; F1014-Y1110 PolarHBondContact O-N 3.23Å; F1014-W1112 HydrophobicContact CB-CE3 3.92Å; F1014-W1112 HydrophobicContact CB-CZ3 3.9Å; F1014-V1160 HydrophobicContact CD2-CG1 4.29Å; F1014-V1160 HydrophobicContact CE2-CG1 3.81Å; F1014-Y1161 WeakPolarHBondContact CA-O 2.97Å; F1014-F1162 HydrophobicContact CD2-CD1 4.41Å; F1014-F1162 HydrophobicContact CD2-CE1 4.03Å; F1014-F1162 HydrophobicContact CE2-CE1 4.3Å
1015	F	97.6	Very high	96.1	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.022	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.7	178.3	-177	-83.4	0	0	0	109.4	L723 P724 N1017 F1107 A1109 Y1161	L723-F1015 HydrophobicContact CD1-CD1 4.11Å; L723-F1015 HydrophobicContact CD1-CE1 3.49Å; L723-F1015 VanDerWaalsContact CD1-CE1 3.49Å; L723-F1015 HydrophobicContact CD1-CZ 4.03Å; P724-F1015 HydrophobicContact CG-CB 3.78Å; P724-F1015 HydrophobicContact CG-CD2 4.02Å; P724-F1015 HydrophobicContact CG-CG 3.92Å; F1015-N1017 HydrophobicContact CD1-CB 4.14Å; F1015-N1017 HydrophobicContact CE1-CB 3.78Å; F1015-F1107 VanDerWaalsContact CE2-C 3.41Å; F1015-F1107 HydrophobicContact CZ-CB 4.11Å; F1015-F1107 HydrophobicContact CZ-CD1 4.49Å; F1015-A1109 HydrophobicContact CD2-CB 4.06Å; F1015-Y1161 HydrophobicContact CD1-CD2 4.46Å; F1015-Y1161 PolarHBondContact N-O 2.93Å; F1015-Y1161 VanDerWaalsContact N-O 3.15Å; F1015-Y1161 PolarHBondContact O-N 2.77Å
1016	I	97.5	Very high	96.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.7	177	-70.5	175.7	0	0	0	108.1	F1014 T1018 W1104 F1107 Q1157 M1159 V1160	F1014-I1016 HydrophobicContact CE1-CD1 4.09Å; F1014-I1016 HydrophobicContact CE1-CG1 4.43Å; F1014-I1016 HydrophobicContact CE2-CD1 4.46Å; F1014-I1016 HydrophobicContact CZ-CD1 3.65Å; F1014-I1016 HydrophobicContact CZ-CG1 4.13Å; I1016-T1018 HydrophobicContact CG2-CG2 3.64Å; I1016-T1018 PolarHBondContact O-N 2.82Å; I1016-W1104 HydrophobicContact CB-CZ3 4.34Å; I1016-W1104 HydrophobicContact CD1-CD2 3.65Å; I1016-W1104 HydrophobicContact CD1-CE3 3.75Å; I1016-W1104 HydrophobicContact CD1-CG 4.36Å; I1016-W1104 HydrophobicContact CD1-CH2 3.69Å; I1016-W1104 HydrophobicContact CD1-CZ2 3.56Å; I1016-W1104 HydrophobicContact CD1-CZ3 3.76Å; I1016-W1104 HydrophobicContact CG2-CH2 4.28Å; I1016-W1104 HydrophobicContact CG2-CZ3 4.05Å; I1016-F1107 PolarHBondContact O-N 2.04Å; I1016-Q1157 HydrophobicContact CD1-CG 4.01Å; I1016-M1159 WeakPolarHBondContact CA-O 3.32Å; I1016-V1160 HydrophobicContact CG1-CG1 4.22Å; I1016-V1160 HydrophobicContact CG1-CG2 4.28Å
1017	N	96.3	Very high	96.4	Very high	39 Å²	39	23.8 Å²	23.8	21%	0.209	12%	0.119	C	C	.	.			trans	-90.1	42.3	-171.3	-162.3	16.5	0	0	0	112.2	L723 E739 F1015 F1107 M1159 Y1161	L723-N1017 HydrophobicContact CD1-CB 4.23Å; L723-N1017 WeakPolarHBondContact CD1-ND2 3.37Å; E739-N1017 PolarHBondContact OE1-ND2 3.29Å; F1015-N1017 HydrophobicContact CD1-CB 4.14Å; F1015-N1017 HydrophobicContact CE1-CB 3.78Å; N1017-F1107 WeakPolarHBondContact OD1-CD1 3.08Å; N1017-F1107 WeakPolarHBondContact OD1-CE1 3.5Å; N1017-M1159 HydrophobicContact CB-CB 4.41Å; N1017-M1159 PolarHBondContact N-O 2.89Å; N1017-Y1161 HydrophobicContact CB-CD2 3.91Å; N1017-Y1161 HydrophobicContact CB-CE2 3.29Å; N1017-Y1161 PolarHBondContact ND2-OH 3.07Å
1018	T	94.8	Very high	96.5	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	12%	0.118	C	C	.	.			trans	-155.3	153.9	-178.2	-171	0	0	0	0	111.8	I1016 R1020 E1158 M1159	I1016-T1018 HydrophobicContact CG2-CG2 3.64Å; I1016-T1018 PolarHBondContact O-N 2.82Å; T1018-R1020 VanDerWaalsContact C-N 3.28Å; T1018-R1020 HydrophobicContact CG2-CB 4.32Å; T1018-R1020 WeakPolarHBondContact CG2-O 3.19Å; T1018-R1020 WeakPolarHBondContact OG1-CB 3.05Å; T1018-R1020 WeakPolarHBondContact OG1-CG 3.43Å; T1018-R1020 PolarHBondContact OG1-N 3.25Å; T1018-E1158 HydrophobicContact CG2-CG 4.27Å; T1018-E1158 WeakPolarHBondContact CG2-O 3.26Å; T1018-M1159 HydrophobicContact CG2-CB 3.99Å
1019	D	94.2	Very high	96.6	Very high	123 Å²	123	23.6 Å²	23.6	66%	0.658	12%	0.117	S	C	*	.	S	Bend	trans	-94.9	20.9	167.5	70.8	-19.5	0	0	0	112.3	F1107	D1019-F1107 HydrophobicContact CB-CE2 4.14Å
1020	R	92.8	Very high	96.6	Very high	154 Å²	154	22.3 Å²	22.3	58%	0.581	11%	0.111	S	C	*	.			trans	-115.8	146.3	-174.1	-58.2	173.4	-177.6	174.2	8.1	113	T1018 Q1157 E1158	T1018-R1020 VanDerWaalsContact C-N 3.28Å; T1018-R1020 HydrophobicContact CG2-CB 4.32Å; T1018-R1020 WeakPolarHBondContact CG2-O 3.19Å; T1018-R1020 WeakPolarHBondContact OG1-CB 3.05Å; T1018-R1020 WeakPolarHBondContact OG1-CG 3.43Å; T1018-R1020 PolarHBondContact OG1-N 3.25Å; R1020-Q1157 PolarHBondContact O-NE2 2.99Å; R1020-E1158 WeakPolarHBondContact CD-OE1 3.43Å; R1020-E1158 IonicContact CZ-OE1 3.94Å; R1020-E1158 IonicContact NE-OE1 3.31Å; R1020-E1158 IonicContact NH1-OE1 3.91Å; R1020-E1158 PolarHBondContact NH1-OE1 3.4Å; R1020-E1158 VanDerWaalsContact NH1-OE1 3.09Å
1021	D	91.9	Very high	96.6	Very high	68 Å²	68	22.3 Å²	22.3	36%	0.364	11%	0.111	S	C	.	.			trans	59.3	170.6	-172.4	-123.7	-57.9	0	0	0	115.2	N993	N993-D1021 PolarHBondContact ND2-OD2 2.71Å
1022	D	94.3	Very high	96.7	Very high	34 Å²	34	22.1 Å²	22.1	18%	0.182	11%	0.108	C	C	.	.			trans	-130.9	18.7	-178.5	68.2	48.1	0	0	0	114.2	K1043 Q1044 I1045 Q1047	D1022-K1043 VanDerWaalsContact C-NZ 3.29Å; D1022-K1043 WeakPolarHBondContact O-CG 3.2Å; D1022-K1043 PolarHBondContact O-NZ 2.63Å; D1022-K1043 IonicContact OD1-NZ 2.74Å; D1022-K1043 PolarHBondContact OD1-NZ 3.32Å; D1022-Q1044 HydrophobicContact CB-CB 4.17Å; D1022-Q1044 PolarHBondContact O-N 2.92Å; D1022-Q1044 VanDerWaalsContact O-N 3.1Å; D1022-I1045 HydrophobicContact CB-CB 3.77Å; D1022-I1045 HydrophobicContact CB-CD1 3.88Å; D1022-I1045 HydrophobicContact CB-CG1 3.76Å; D1022-I1045 PolarHBondContact O-N 3.33Å; D1022-Q1047 PolarHBondContact OD1-NE2 3.22Å
1023	D	96.1	Very high	96.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	11%	0.109	C	C	.	.			trans	-97.2	-160.7	-154.3	-90	-6.1	0	0	0	115.5	K1043 Q1047 W1083 W1104 S1156 Q1157	D1023-K1043 WeakPolarHBondContact O-CA 3.21Å; D1023-K1043 IonicContact OD1-NZ 2.79Å; D1023-K1043 PolarHBondContact OD1-NZ 3.24Å; D1023-Q1047 PolarHBondContact OD1-NE2 3.45Å; D1023-Q1047 VanDerWaalsContact OD1-NE2 3.12Å; D1023-W1083 WeakPolarHBondContact OD1-CH2 3.37Å; D1023-W1083 WeakPolarHBondContact OD2-CH2 3.4Å; D1023-W1104 WeakPolarHBondContact O-CZ2 3.14Å; D1023-W1104 PolarHBondContact O-NE1 2.78Å; D1023-S1156 WeakPolarHBondContact CB-O 3.37Å; D1023-S1156 WeakPolarHBondContact OD2-CB 3.4Å; D1023-S1156 PolarHBondContact OD2-OG 3.4Å; D1023-Q1157 HydrophobicContact CB-CB 4.29Å; D1023-Q1157 VanDerWaalsContact N-OE1 3.15Å
1024	Y	97.6	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.1	-162.5	-88.8	-67.4	0	0	0	113.2	M1041 W1042 K1043 G1059 W1083 F1155	Y1024-M1041 HydrophobicContact CD1-CB 3.93Å; Y1024-M1041 HydrophobicContact CD1-CG 4.03Å; Y1024-M1041 HydrophobicContact CD1-SD 4.03Å; Y1024-M1041 HydrophobicContact CE1-CB 4.35Å; Y1024-M1041 HydrophobicContact CE1-CG 3.96Å; Y1024-M1041 HydrophobicContact CE1-SD 3.87Å; Y1024-W1042 WeakPolarHBondContact CA-O 3.44Å; Y1024-K1043 HydrophobicContact CD1-CB 3.67Å; Y1024-K1043 HydrophobicContact CD1-CD 4.49Å; Y1024-K1043 HydrophobicContact CD2-CB 4.38Å; Y1024-K1043 HydrophobicContact CD2-CD 3.67Å; Y1024-K1043 HydrophobicContact CD2-CG 4.5Å; Y1024-K1043 HydrophobicContact CE1-CB 3.47Å; Y1024-K1043 VanDerWaalsContact CE1-CB 3.47Å; Y1024-K1043 HydrophobicContact CE1-CD 4.27Å; Y1024-K1043 HydrophobicContact CE1-CG 4.46Å; Y1024-K1043 HydrophobicContact CE2-CB 4.22Å; Y1024-K1043 HydrophobicContact CE2-CD 3.4Å; Y1024-K1043 HydrophobicContact CE2-CG 4.39Å; Y1024-K1043 HydrophobicContact CG-CB 4.1Å; Y1024-K1043 HydrophobicContact CG-CD 4.2Å; Y1024-G1059 VanDerWaalsContact OH-CA 3.29Å; Y1024-G1059 WeakPolarHBondContact OH-CA 3.41Å; Y1024-W1083 HydrophobicContact CD2-CD2 4.17Å; Y1024-W1083 AromaticContact CD2-CE3 3.96Å; Y1024-W1083 HydrophobicContact CD2-CE3 3.96Å; Y1024-W1083 HydrophobicContact CD2-CZ3 4.44Å; Y1024-W1083 HydrophobicContact CE2-CD2 4.04Å; Y1024-W1083 HydrophobicContact CE2-CE3 4.31Å; Y1024-W1083 HydrophobicContact CE2-CG 4.15Å; Y1024-W1083 PolarHBondContact OH-O 3.22Å; Y1024-F1155 PolarHBondContact N-O 2.8Å; Y1024-F1155 VanDerWaalsContact N-O 3.17Å; Y1024-F1155 PolarHBondContact O-N 2.73Å
1025	A	97.9	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.5	163.8	0	0	0	0	0	111.9	F1014 W1042 Y1153 V1154 V1160 F1162	F1014-A1025 HydrophobicContact CE2-CB 3.65Å; F1014-A1025 HydrophobicContact CZ-CB 4.06Å; A1025-W1042 PolarHBondContact N-O 2.61Å; A1025-W1042 VanDerWaalsContact N-O 3.17Å; A1025-W1042 PolarHBondContact O-N 3.44Å; A1025-Y1153 CarbonylContact C-O 3.34Å; A1025-Y1153 WeakPolarHBondContact CA-O 3.14Å; A1025-V1154 HydrophobicContact CB-CG1 4.23Å; A1025-V1160 HydrophobicContact CB-CG1 3.81Å; A1025-V1160 HydrophobicContact CB-CG2 4.03Å; A1025-F1162 HydrophobicContact CB-CZ 4.28Å
1026	G	97.8	Very high	96.8	Very high	7 Å²	7	24.3 Å²	24.3	7%	0.072	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	-141	-178.2	0	0	0	0	0	112.7	V1040 Y1153 F1162	G1026-V1040 CarbonylContact C-O 3.57Å; G1026-V1040 VanDerWaalsContact CA-O 3.31Å; G1026-V1040 WeakPolarHBondContact CA-O 3.29Å; G1026-Y1153 PolarHBondContact N-O 2.84Å; G1026-Y1153 PolarHBondContact O-N 2.94Å; G1026-F1162 WeakPolarHBondContact O-CE1 3.2Å
1027	F	98.7	Very high	96.9	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	166.4	-175	61.6	-91.2	0	0	0	113	F1010 F1029 T1039 V1040 W1112 L1114 V1125 G1151	F1010-F1027 HydrophobicContact CD1-CD2 4.03Å; F1010-F1027 HydrophobicContact CD1-CE2 4.34Å; F1010-F1027 HydrophobicContact CE1-CB 4.11Å; F1010-F1027 HydrophobicContact CE1-CD2 4.02Å; F1010-F1027 HydrophobicContact CE1-CG 4.16Å; F1027-F1029 HydrophobicContact CD2-CD1 4.39Å; F1027-F1029 HydrophobicContact CE2-CD1 4.12Å; F1027-T1039 WeakPolarHBondContact O-CA 3.37Å; F1027-T1039 PolarHBondContact O-OG1 3.5Å; F1027-V1040 HydrophobicContact CD1-CB 4.06Å; F1027-V1040 HydrophobicContact CD1-CG1 4.46Å; F1027-V1040 HydrophobicContact CD2-CB 4.19Å; F1027-V1040 HydrophobicContact CD2-CG2 4.13Å; F1027-V1040 HydrophobicContact CE1-CB 3.69Å; F1027-V1040 HydrophobicContact CE1-CG1 3.8Å; F1027-V1040 HydrophobicContact CE1-CG2 4.08Å; F1027-V1040 HydrophobicContact CE2-CB 3.84Å; F1027-V1040 HydrophobicContact CE2-CG2 3.44Å; F1027-V1040 VanDerWaalsContact CE2-CG2 3.44Å; F1027-V1040 HydrophobicContact CG-CB 4.3Å; F1027-V1040 HydrophobicContact CZ-CB 3.59Å; F1027-V1040 HydrophobicContact CZ-CG1 3.92Å; F1027-V1040 HydrophobicContact CZ-CG2 3.42Å; F1027-V1040 VanDerWaalsContact CZ-CG2 3.42Å; F1027-V1040 PolarHBondContact N-O 2.8Å; F1027-V1040 PolarHBondContact O-N 3.13Å; F1027-W1112 AromaticContact CD1-CD1 3.91Å; F1027-W1112 AromaticContact CD1-CD2 3.78Å; F1027-W1112 HydrophobicContact CD1-CD2 3.78Å; F1027-W1112 AromaticContact CD1-CE2 3.69Å; F1027-W1112 HydrophobicContact CD1-CE3 4.39Å; F1027-W1112 AromaticContact CD1-CG 3.93Å; F1027-W1112 HydrophobicContact CD1-CG 3.93Å; F1027-W1112 HydrophobicContact CD1-CZ2 4.23Å; F1027-W1112 AromaticContact CD1-NE1 3.76Å; F1027-W1112 HydrophobicContact CE1-CB 3.8Å; F1027-W1112 AromaticContact CE1-CD1 3.31Å; F1027-W1112 AromaticContact CE1-CD2 3.73Å; F1027-W1112 HydrophobicContact CE1-CD2 3.73Å; F1027-W1112 AromaticContact CE1-CE2 3.92Å; F1027-W1112 AromaticContact CE1-CG 3.34Å; F1027-W1112 HydrophobicContact CE1-CG 3.34Å; F1027-W1112 AromaticContact CE1-NE1 3.66Å; F1027-W1112 HydrophobicContact CZ-CB 4.4Å; F1027-W1112 AromaticContact CZ-CD1 3.51Å; F1027-W1112 AromaticContact CZ-CG 3.97Å; F1027-W1112 HydrophobicContact CZ-CG 3.97Å; F1027-W1112 AromaticContact CZ-NE1 3.94Å; F1027-L1114 HydrophobicContact CE2-CB 4.05Å; F1027-L1114 HydrophobicContact CE2-CD2 4.23Å; F1027-L1114 HydrophobicContact CZ-CB 4.25Å; F1027-V1125 HydrophobicContact CZ-CG1 4.34Å; F1027-G1151 CarbonylContact C-O 3.44Å; F1027-G1151 VanDerWaalsContact CA-O 3.31Å; F1027-G1151 WeakPolarHBondContact CA-O 3.32Å; F1027-G1151 VanDerWaalsContact CB-O 3.25Å; F1027-G1151 WeakPolarHBondContact CB-O 3.35Å
1028	V	98.7	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.3	171.4	-53.6	0	0	0	0	111	I998 Y1031 F1037 Y1038 G1151 Y1153	I998-V1028 HydrophobicContact CD1-CG1 4.16Å; I998-V1028 HydrophobicContact CG2-CB 4.43Å; I998-V1028 HydrophobicContact CG2-CG1 3.9Å; I998-V1028 HydrophobicContact CG2-CG2 3.62Å; V1028-Y1031 HydrophobicContact CG2-CD2 4.49Å; V1028-F1037 HydrophobicContact CB-CD2 4.03Å; V1028-F1037 HydrophobicContact CG1-CD2 3.61Å; V1028-F1037 HydrophobicContact CG1-CE2 3.69Å; V1028-Y1038 VanDerWaalsContact CA-O 3.26Å; V1028-Y1038 WeakPolarHBondContact CA-O 3.28Å; V1028-Y1038 WeakPolarHBondContact CB-O 3.4Å; V1028-G1151 PolarHBondContact N-O 3.3Å; V1028-G1151 PolarHBondContact O-N 2.63Å; V1028-G1151 VanDerWaalsContact O-N 3.15Å; V1028-Y1153 HydrophobicContact CG1-CD2 4.41Å
1029	F	98.8	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.2	175.3	66.7	-87.9	0	0	0	110.4	F1027 Y1031 Y1038 V1040 L1114 H1116 I1123 R1149 L1150	F1027-F1029 HydrophobicContact CD2-CD1 4.39Å; F1027-F1029 HydrophobicContact CE2-CD1 4.12Å; F1029-Y1031 PolarHBondContact O-N 2.93Å; F1029-Y1038 AromaticContact CD2-CD2 3.83Å; F1029-Y1038 HydrophobicContact CD2-CD2 3.83Å; F1029-Y1038 HydrophobicContact CD2-CG 4.18Å; F1029-Y1038 VanDerWaalsContact CE2-CB 3.48Å; F1029-Y1038 HydrophobicContact CE2-CD1 4.47Å; F1029-Y1038 AromaticContact CE2-CD2 3.52Å; F1029-Y1038 HydrophobicContact CE2-CD2 3.52Å; F1029-Y1038 HydrophobicContact CE2-CE2 4.31Å; F1029-Y1038 AromaticContact CE2-CG 3.6Å; F1029-Y1038 HydrophobicContact CE2-CG 3.6Å; F1029-Y1038 HydrophobicContact CZ-CD1 4.46Å; F1029-Y1038 HydrophobicContact CZ-CD2 4.21Å; F1029-Y1038 AromaticContact CZ-CG 3.8Å; F1029-Y1038 HydrophobicContact CZ-CG 3.8Å; F1029-Y1038 PolarHBondContact N-O 2.57Å; F1029-Y1038 WeakPolarHBondContact O-CB 3.29Å; F1029-Y1038 PolarHBondContact O-N 3.15Å; F1029-V1040 HydrophobicContact CD1-CG2 4.24Å; F1029-V1040 HydrophobicContact CE1-CG2 3.79Å; F1029-L1114 HydrophobicContact CB-CD2 3.48Å; F1029-L1114 VanDerWaalsContact CB-CD2 3.48Å; F1029-L1114 HydrophobicContact CD1-CD1 3.98Å; F1029-L1114 HydrophobicContact CD1-CD2 3.7Å; F1029-L1114 HydrophobicContact CD1-CG 4.5Å; F1029-L1114 HydrophobicContact CD2-CD1 4.28Å; F1029-L1114 HydrophobicContact CD2-CD2 3.79Å; F1029-L1114 HydrophobicContact CE1-CD1 3.78Å; F1029-L1114 HydrophobicContact CE1-CD2 4.35Å; F1029-L1114 HydrophobicContact CE2-CD1 4.08Å; F1029-L1114 HydrophobicContact CE2-CD2 4.42Å; F1029-L1114 HydrophobicContact CG-CD1 4.23Å; F1029-L1114 HydrophobicContact CG-CD2 3.37Å; F1029-L1114 HydrophobicContact CG-CG 4.45Å; F1029-L1114 HydrophobicContact CZ-CD1 3.82Å; F1029-H1116 HydrophobicContact CD2-CB 4.38Å; F1029-H1116 AromaticContact CD2-CE1 3.73Å; F1029-H1116 AromaticContact CD2-CG 3.87Å; F1029-H1116 AromaticContact CD2-ND1 3.56Å; F1029-H1116 AromaticContact CE2-CD2 3.84Å; F1029-H1116 AromaticContact CE2-CE1 3.87Å; F1029-H1116 AromaticContact CE2-CG 3.92Å; F1029-H1116 AromaticContact CE2-ND1 3.95Å; F1029-H1116 AromaticContact CE2-NE2 3.82Å; F1029-I1123 HydrophobicContact CE2-CD1 4.08Å; F1029-I1123 HydrophobicContact CE2-CG1 4.08Å; F1029-I1123 HydrophobicContact CE2-CG2 4.42Å; F1029-I1123 HydrophobicContact CZ-CD1 4.1Å; F1029-I1123 HydrophobicContact CZ-CG1 4.25Å; F1029-I1123 HydrophobicContact CZ-CG2 3.85Å; F1029-R1149 CarbonylContact C-O 3.56Å; F1029-L1150 HydrophobicContact CB-CD2 3.64Å
1030	G	98.1	Very high	97.4	Very high	1 Å²	1	16 Å²	16	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	43.1	-170.2	0	0	0	0	0	111.2	G1147 R1149	G1030-G1147 CarbonylContact C-O 3.57Å; G1030-G1147 WeakPolarHBondContact CA-O 3.39Å; G1030-R1149 PolarHBondContact N-O 3.23Å
1031	Y	98.7	Very high	97.6	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.3	173.5	177.8	-77.3	0	0	0	108.8	S851 V965 I998 V1000 V1028 F1029 S1033 S1034 F1037 R1149	S851-Y1031 WeakPolarHBondContact CB-OH 3.47Å; S851-Y1031 PolarHBondContact O-OH 3.47Å; V965-Y1031 HydrophobicContact CG1-CE2 4.3Å; V965-Y1031 HydrophobicContact CG2-CE2 4.33Å; V965-Y1031 WeakPolarHBondContact CG2-OH 3.4Å; I998-Y1031 HydrophobicContact CD1-CD2 4.05Å; I998-Y1031 HydrophobicContact CD1-CE2 3.79Å; V1000-Y1031 HydrophobicContact CG1-CD1 3.75Å; V1000-Y1031 HydrophobicContact CG1-CE1 4.32Å; V1000-Y1031 HydrophobicContact CG1-CG 3.91Å; V1000-Y1031 HydrophobicContact CG2-CD1 4.28Å; V1000-Y1031 HydrophobicContact CG2-CD2 3.99Å; V1000-Y1031 HydrophobicContact CG2-CE1 4.35Å; V1000-Y1031 HydrophobicContact CG2-CE2 4.04Å; V1000-Y1031 HydrophobicContact CG2-CG 4.12Å; V1028-Y1031 HydrophobicContact CG2-CD2 4.49Å; F1029-Y1031 PolarHBondContact O-N 2.93Å; Y1031-S1033 WeakPolarHBondContact CE2-O 3.01Å; Y1031-S1034 PolarHBondContact OH-N 2.81Å; Y1031-F1037 HydrophobicContact CD2-CB 3.78Å; Y1031-F1037 HydrophobicContact CD2-CD1 4.14Å; Y1031-F1037 HydrophobicContact CD2-CG 4.04Å; Y1031-F1037 HydrophobicContact CE2-CD1 4.31Å; Y1031-F1037 HydrophobicContact CG-CB 4.27Å; Y1031-R1149 PolarHBondContact N-O 3.23Å; Y1031-R1149 PolarHBondContact O-N 3.46Å
1032	Q	98.2	Very high	97.9	Very high	11 Å²	11	5.7 Å²	5.7	5%	0.051	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-55.1	174.3	-60.4	170.9	-15.9	0	0	107.7	D852 E866 D867 G868 R1036	D852-Q1032 WeakPolarHBondContact CA-O 3Å; D852-Q1032 WeakPolarHBondContact CB-O 3.07Å; E866-Q1032 PolarHBondContact O-NE2 3.35Å; D867-Q1032 PolarHBondContact O-NE2 2.88Å; G868-Q1032 VanDerWaalsContact CA-CD 3.44Å; G868-Q1032 VanDerWaalsContact CA-CG 3.49Å; Q1032-R1036 HydrophobicContact CB-CB 4.09Å; Q1032-R1036 PolarHBondContact N-O 3.46Å
1033	S	98.1	Very high	98	Very high	3 Å²	3	4 Å²	4	2%	0.021	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	170.6	172.6	88.1	0	0	0	0	111.4	D850 Y1031 S1035 R1036 F1037	D850-S1033 VanDerWaalsContact CG-CB 3.47Å; D850-S1033 VanDerWaalsContact CG-OG 3.26Å; D850-S1033 WeakPolarHBondContact O-CB 3.28Å; D850-S1033 WeakPolarHBondContact OD1-CB 3.45Å; D850-S1033 PolarHBondContact OD1-OG 2.97Å; D850-S1033 VanDerWaalsContact OD2-CB 3.31Å; D850-S1033 WeakPolarHBondContact OD2-CB 3.02Å; D850-S1033 PolarHBondContact OD2-OG 2.57Å; Y1031-S1033 WeakPolarHBondContact CE2-O 3.01Å; S1033-S1035 PolarHBondContact O-N 3.39Å; S1033-S1035 VanDerWaalsContact O-N 3.12Å; S1033-S1035 WeakPolarHBondContact OG-CB 3.13Å; S1033-S1035 PolarHBondContact OG-N 3.28Å; S1033-R1036 PolarHBondContact N-O 2.63Å; S1033-R1036 CarbonylContact O-C 3.45Å; S1033-R1036 VanDerWaalsContact O-C 3.23Å; S1033-R1036 PolarHBondContact O-N 2.88Å; S1033-R1036 PolarHBondContact OG-N 2.79Å; S1033-F1037 WeakPolarHBondContact O-CD1 3.46Å
1034	S	97.1	Very high	98.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.9	172	70.9	0	0	0	0	113.6	D850 Y1031 F1037 P1074 L1078	D850-S1034 VanDerWaalsContact C-OG 3.28Å; D850-S1034 WeakPolarHBondContact O-CA 3.11Å; D850-S1034 WeakPolarHBondContact O-CB 3.35Å; D850-S1034 PolarHBondContact O-N 3.15Å; D850-S1034 PolarHBondContact O-OG 3.49Å; Y1031-S1034 PolarHBondContact OH-N 2.81Å; S1034-F1037 WeakPolarHBondContact O-CE1 3.34Å; S1034-P1074 VanDerWaalsContact OG-CD 3.29Å; S1034-P1074 WeakPolarHBondContact OG-CD 3.21Å; S1034-P1074 WeakPolarHBondContact OG-CG 3.17Å; S1034-L1078 WeakPolarHBondContact O-CD2 3.48Å
1035	S	97.4	Very high	98	Very high	12 Å²	12	9.9 Å²	9.9	8%	0.084	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-17.9	168.1	-53	0	0	0	0	113.4	D850 S1033 V1068 N1069 S1070 G1073	D850-S1035 WeakPolarHBondContact OD2-CB 3.31Å; D850-S1035 PolarHBondContact OD2-OG 2.82Å; S1033-S1035 PolarHBondContact O-N 3.39Å; S1033-S1035 VanDerWaalsContact O-N 3.12Å; S1033-S1035 WeakPolarHBondContact OG-CB 3.13Å; S1033-S1035 PolarHBondContact OG-N 3.28Å; S1035-V1068 CarbonylContact O-C 3.57Å; S1035-N1069 CarbonylContact O-C 3.56Å; S1035-N1069 VanDerWaalsContact O-CA 3.27Å; S1035-N1069 WeakPolarHBondContact O-CA 3.44Å; S1035-S1070 PolarHBondContact O-N 3.18Å; S1035-G1073 WeakPolarHBondContact OG-CA 3.38Å
1036	R	98.3	Very high	98	Very high	40 Å²	40	12.6 Å²	12.6	15%	0.151	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	88.8	-166.3	-66.6	176	61.2	101.1	-1.9	111.7	D863 E866 Q1032 S1033 Y1145	D863-R1036 IonicContact OD2-CZ 2.96Å; D863-R1036 IonicContact OD2-NH2 3.52Å; D863-R1036 PolarHBondContact OD2-NH2 2.93Å; D863-R1036 VanDerWaalsContact OD2-NH2 3.11Å; E866-R1036 IonicContact OE2-CZ 3.18Å; E866-R1036 VanDerWaalsContact OE2-CZ 3.23Å; E866-R1036 IonicContact OE2-NH1 2.75Å; E866-R1036 PolarHBondContact OE2-NH1 3.36Å; E866-R1036 IonicContact OE2-NH2 3.37Å; E866-R1036 PolarHBondContact OE2-NH2 3.17Å; Q1032-R1036 HydrophobicContact CB-CB 4.09Å; Q1032-R1036 PolarHBondContact N-O 3.46Å; S1033-R1036 PolarHBondContact N-O 2.63Å; S1033-R1036 CarbonylContact O-C 3.45Å; S1033-R1036 VanDerWaalsContact O-C 3.23Å; S1033-R1036 PolarHBondContact O-N 2.88Å; S1033-R1036 PolarHBondContact OG-N 2.79Å; R1036-Y1145 WeakPolarHBondContact CA-OH 3.06Å; R1036-Y1145 HydrophobicContact CB-CD1 4.32Å; R1036-Y1145 HydrophobicContact CB-CE1 3.64Å; R1036-Y1145 HydrophobicContact CB-CE2 4.37Å; R1036-Y1145 HydrophobicContact CG-CE1 3.79Å
1037	F	98.8	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.3	174.6	63	-84.2	0	0	0	113.7	L967 I998 V1028 Y1031 S1033 S1034 T1039 V1068 L1082	L967-F1037 HydrophobicContact CD1-CZ 4.17Å; L967-F1037 HydrophobicContact CD2-CE1 4.26Å; L967-F1037 HydrophobicContact CD2-CZ 4.29Å; I998-F1037 HydrophobicContact CD1-CE1 4.16Å; I998-F1037 HydrophobicContact CD1-CE2 4.08Å; I998-F1037 HydrophobicContact CD1-CZ 3.86Å; V1028-F1037 HydrophobicContact CB-CD2 4.03Å; V1028-F1037 HydrophobicContact CG1-CD2 3.61Å; V1028-F1037 HydrophobicContact CG1-CE2 3.69Å; Y1031-F1037 HydrophobicContact CD2-CB 3.78Å; Y1031-F1037 HydrophobicContact CD2-CD1 4.14Å; Y1031-F1037 HydrophobicContact CD2-CG 4.04Å; Y1031-F1037 HydrophobicContact CE2-CD1 4.31Å; Y1031-F1037 HydrophobicContact CG-CB 4.27Å; S1033-F1037 WeakPolarHBondContact O-CD1 3.46Å; S1034-F1037 WeakPolarHBondContact O-CE1 3.34Å; F1037-T1039 HydrophobicContact CD2-CG2 4.38Å; F1037-T1039 HydrophobicContact CE2-CG2 4.04Å; F1037-V1068 HydrophobicContact CD1-CB 3.9Å; F1037-V1068 HydrophobicContact CD1-CG1 4.13Å; F1037-V1068 HydrophobicContact CD1-CG2 4.18Å; F1037-V1068 HydrophobicContact CD2-CB 4.45Å; F1037-V1068 HydrophobicContact CD2-CG2 3.99Å; F1037-V1068 HydrophobicContact CE1-CB 3.9Å; F1037-V1068 HydrophobicContact CE1-CG1 3.81Å; F1037-V1068 HydrophobicContact CE1-CG2 3.88Å; F1037-V1068 HydrophobicContact CE2-CB 4.45Å; F1037-V1068 HydrophobicContact CE2-CG2 3.69Å; F1037-V1068 HydrophobicContact CG-CB 4.2Å; F1037-V1068 HydrophobicContact CG-CG2 4.24Å; F1037-V1068 HydrophobicContact CZ-CB 4.2Å; F1037-V1068 HydrophobicContact CZ-CG1 4.32Å; F1037-V1068 HydrophobicContact CZ-CG2 3.63Å; F1037-V1068 PolarHBondContact N-O 3.09Å; F1037-V1068 WeakPolarHBondContact O-CB 3.39Å; F1037-V1068 PolarHBondContact O-N 2.87Å; F1037-L1082 HydrophobicContact CZ-CD2 4.36Å
1038	Y	98.8	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	147.5	160.9	-54.1	-82.4	0	0	0	110.6	V1028 F1029 K1066 V1067 L1095 H1116 I1123 D1142 T1144 Y1145	V1028-Y1038 VanDerWaalsContact CA-O 3.26Å; V1028-Y1038 WeakPolarHBondContact CA-O 3.28Å; V1028-Y1038 WeakPolarHBondContact CB-O 3.4Å; F1029-Y1038 AromaticContact CD2-CD2 3.83Å; F1029-Y1038 HydrophobicContact CD2-CD2 3.83Å; F1029-Y1038 HydrophobicContact CD2-CG 4.18Å; F1029-Y1038 VanDerWaalsContact CE2-CB 3.48Å; F1029-Y1038 HydrophobicContact CE2-CD1 4.47Å; F1029-Y1038 AromaticContact CE2-CD2 3.52Å; F1029-Y1038 HydrophobicContact CE2-CD2 3.52Å; F1029-Y1038 HydrophobicContact CE2-CE2 4.31Å; F1029-Y1038 AromaticContact CE2-CG 3.6Å; F1029-Y1038 HydrophobicContact CE2-CG 3.6Å; F1029-Y1038 HydrophobicContact CZ-CD1 4.46Å; F1029-Y1038 HydrophobicContact CZ-CD2 4.21Å; F1029-Y1038 AromaticContact CZ-CG 3.8Å; F1029-Y1038 HydrophobicContact CZ-CG 3.8Å; F1029-Y1038 PolarHBondContact N-O 2.57Å; F1029-Y1038 WeakPolarHBondContact O-CB 3.29Å; F1029-Y1038 PolarHBondContact O-N 3.15Å; Y1038-K1066 WeakPolarHBondContact CA-O 3.27Å; Y1038-V1067 HydrophobicContact CD1-CB 3.65Å; Y1038-V1067 HydrophobicContact CD1-CG2 3.59Å; Y1038-V1067 HydrophobicContact CE1-CB 3.88Å; Y1038-V1067 HydrophobicContact CE1-CG2 3.57Å; Y1038-V1067 HydrophobicContact CG-CG2 4.49Å; Y1038-L1095 HydrophobicContact CD1-CD1 4.08Å; Y1038-L1095 HydrophobicContact CE1-CD1 4.24Å; Y1038-H1116 AromaticContact CE2-CE1 3.73Å; Y1038-H1116 AromaticContact CE2-NE2 3.61Å; Y1038-I1123 HydrophobicContact CD1-CD1 4.02Å; Y1038-I1123 HydrophobicContact CE1-CD1 3.82Å; Y1038-I1123 HydrophobicContact CG-CD1 4.49Å; Y1038-D1142 HydrophobicContact CE1-CB 4.21Å; Y1038-T1144 PolarHBondContact OH-N 3.47Å; Y1038-Y1145 HydrophobicContact CD2-CD2 4.22Å; Y1038-Y1145 HydrophobicContact CE1-CD2 4.47Å; Y1038-Y1145 AromaticContact CE2-CD2 3.99Å; Y1038-Y1145 HydrophobicContact CE2-CD2 3.99Å; Y1038-Y1145 HydrophobicContact CE2-CG 4.37Å; Y1038-Y1145 PolarHBondContact OH-N 2.82Å; Y1038-Y1145 VanDerWaalsContact OH-N 3.08Å; Y1038-Y1145 PolarHBondContact OH-O 2.83Å
1039	T	98.6	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.1	179.3	173.4	0	0	0	0	112.1	F1027 F1037 M1041 I1065 K1066 V1068 L1082	F1027-T1039 WeakPolarHBondContact O-CA 3.37Å; F1027-T1039 PolarHBondContact O-OG1 3.5Å; F1037-T1039 HydrophobicContact CD2-CG2 4.38Å; F1037-T1039 HydrophobicContact CE2-CG2 4.04Å; T1039-M1041 HydrophobicContact CG2-CE 3.74Å; T1039-I1065 WeakPolarHBondContact O-CA 3.24Å; T1039-K1066 HydrophobicContact CG2-CB 3.97Å; T1039-K1066 PolarHBondContact N-O 2.71Å; T1039-K1066 PolarHBondContact O-N 2.72Å; T1039-V1068 HydrophobicContact CG2-CG2 4.07Å; T1039-L1082 HydrophobicContact CG2-CD2 4.4Å
1040	V	98.6	Very high	96.9	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	167.7	-174.7	0	0	0	0	107.2	G1026 F1027 F1029 L1063 S1064 I1065 V1125	G1026-V1040 CarbonylContact C-O 3.57Å; G1026-V1040 VanDerWaalsContact CA-O 3.31Å; G1026-V1040 WeakPolarHBondContact CA-O 3.29Å; F1027-V1040 HydrophobicContact CD1-CB 4.06Å; F1027-V1040 HydrophobicContact CD1-CG1 4.46Å; F1027-V1040 HydrophobicContact CD2-CB 4.19Å; F1027-V1040 HydrophobicContact CD2-CG2 4.13Å; F1027-V1040 HydrophobicContact CE1-CB 3.69Å; F1027-V1040 HydrophobicContact CE1-CG1 3.8Å; F1027-V1040 HydrophobicContact CE1-CG2 4.08Å; F1027-V1040 HydrophobicContact CE2-CB 3.84Å; F1027-V1040 HydrophobicContact CE2-CG2 3.44Å; F1027-V1040 VanDerWaalsContact CE2-CG2 3.44Å; F1027-V1040 HydrophobicContact CG-CB 4.3Å; F1027-V1040 HydrophobicContact CZ-CB 3.59Å; F1027-V1040 HydrophobicContact CZ-CG1 3.92Å; F1027-V1040 HydrophobicContact CZ-CG2 3.42Å; F1027-V1040 VanDerWaalsContact CZ-CG2 3.42Å; F1027-V1040 PolarHBondContact N-O 2.8Å; F1027-V1040 PolarHBondContact O-N 3.13Å; F1029-V1040 HydrophobicContact CD1-CG2 4.24Å; F1029-V1040 HydrophobicContact CE1-CG2 3.79Å; V1040-L1063 HydrophobicContact CG1-CD1 3.58Å; V1040-L1063 HydrophobicContact CG1-CG 4.17Å; V1040-S1064 WeakPolarHBondContact CA-O 3.3Å; V1040-I1065 HydrophobicContact CG1-CG1 4.49Å; V1040-I1065 HydrophobicContact CG2-CG1 4.3Å; V1040-V1125 HydrophobicContact CG1-CG1 4.22Å; V1040-V1125 HydrophobicContact CG2-CG2 3.86Å
1041	M	97.6	Very high	96.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.1	-176.4	62.2	174.3	61.8	0	0	111.4	Y1024 T1039 S1064 K1066 L1082 Y1153	Y1024-M1041 HydrophobicContact CD1-CB 3.93Å; Y1024-M1041 HydrophobicContact CD1-CG 4.03Å; Y1024-M1041 HydrophobicContact CD1-SD 4.03Å; Y1024-M1041 HydrophobicContact CE1-CB 4.35Å; Y1024-M1041 HydrophobicContact CE1-CG 3.96Å; Y1024-M1041 HydrophobicContact CE1-SD 3.87Å; T1039-M1041 HydrophobicContact CG2-CE 3.74Å; M1041-S1064 PolarHBondContact N-O 3.22Å; M1041-S1064 WeakPolarHBondContact O-CB 3.17Å; M1041-S1064 PolarHBondContact O-N 3.35Å; M1041-K1066 HydrophobicContact CE-CD 4.23Å; M1041-K1066 HydrophobicContact SD-CD 3.99Å; M1041-K1066 WeakPolarHBondContact SD-CE 3.3Å; M1041-K1066 PolarHBondContact SD-NZ 2.91Å; M1041-L1082 HydrophobicContact CE-CB 4.43Å; M1041-L1082 HydrophobicContact CE-CD2 3.91Å; M1041-Y1153 HydrophobicContact CB-CD1 4.23Å; M1041-Y1153 HydrophobicContact CB-CE1 4.01Å; M1041-Y1153 HydrophobicContact CE-CE1 3.94Å; M1041-Y1153 HydrophobicContact CE-CE2 4.36Å
1042	W	97.9	Very high	95.9	Very high	4 Å²	4	29 Å²	29	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.5	-173.7	-164.1	10.9	0	0	0	111.3	F1014 Y1024 A1025 L1063 I1102 W1104 Y1110 M1127 M1134	F1014-W1042 AromaticContact CD1-CE3 3.86Å; F1014-W1042 HydrophobicContact CD1-CE3 3.86Å; F1014-W1042 AromaticContact CD1-CZ3 3.87Å; F1014-W1042 HydrophobicContact CD1-CZ3 3.87Å; F1014-W1042 AromaticContact CE1-CE3 3.7Å; F1014-W1042 HydrophobicContact CE1-CE3 3.7Å; F1014-W1042 HydrophobicContact CE1-CZ3 4.03Å; F1014-W1042 HydrophobicContact CZ-CE3 4.5Å; Y1024-W1042 WeakPolarHBondContact CA-O 3.44Å; A1025-W1042 PolarHBondContact N-O 2.61Å; A1025-W1042 VanDerWaalsContact N-O 3.17Å; A1025-W1042 PolarHBondContact O-N 3.44Å; W1042-L1063 HydrophobicContact CB-CD1 3.93Å; W1042-L1063 VanDerWaalsContact CD1-N 3.31Å; W1042-L1063 HydrophobicContact CD2-CD1 4.39Å; W1042-L1063 HydrophobicContact CG-CB 4.47Å; W1042-L1063 HydrophobicContact CG-CD1 4.11Å; W1042-I1102 PolarHBondContact NE1-O 3Å; W1042-W1104 HydrophobicContact CD2-CB 3.92Å; W1042-W1104 AromaticContact CD2-CD1 3.89Å; W1042-W1104 HydrophobicContact CD2-CG 4.34Å; W1042-W1104 VanDerWaalsContact CE2-N 3.32Å; W1042-W1104 HydrophobicContact CE3-CB 3.94Å; W1042-W1104 AromaticContact CG-CD1 3.78Å; W1042-W1104 HydrophobicContact CH2-CB 3.81Å; W1042-W1104 VanDerWaalsContact CZ2-CA 3.47Å; W1042-W1104 HydrophobicContact CZ2-CB 3.78Å; W1042-W1104 HydrophobicContact CZ3-CB 3.89Å; W1042-W1104 PolarHBondContact O-NE1 3.12Å; W1042-Y1110 AromaticContact CH2-CD1 3.55Å; W1042-Y1110 HydrophobicContact CH2-CD1 3.55Å; W1042-Y1110 AromaticContact CH2-CD2 3.88Å; W1042-Y1110 HydrophobicContact CH2-CD2 3.88Å; W1042-Y1110 AromaticContact CH2-CE1 3.56Å; W1042-Y1110 HydrophobicContact CH2-CE1 3.56Å; W1042-Y1110 AromaticContact CH2-CE2 3.89Å; W1042-Y1110 HydrophobicContact CH2-CE2 3.89Å; W1042-Y1110 AromaticContact CH2-CG 3.7Å; W1042-Y1110 HydrophobicContact CH2-CG 3.7Å; W1042-Y1110 AromaticContact CH2-CZ 3.71Å; W1042-Y1110 HydrophobicContact CZ2-CE1 4.48Å; W1042-Y1110 AromaticContact CZ3-CD1 3.96Å; W1042-Y1110 HydrophobicContact CZ3-CD1 3.96Å; W1042-Y1110 AromaticContact CZ3-CD2 3.76Å; W1042-Y1110 HydrophobicContact CZ3-CD2 3.76Å; W1042-Y1110 HydrophobicContact CZ3-CE1 4.35Å; W1042-Y1110 HydrophobicContact CZ3-CE2 4.15Å; W1042-Y1110 AromaticContact CZ3-CG 3.63Å; W1042-Y1110 HydrophobicContact CZ3-CG 3.63Å; W1042-M1127 HydrophobicContact CE3-CE 3.99Å; W1042-M1127 HydrophobicContact CH2-CG 4.29Å; W1042-M1127 HydrophobicContact CZ3-CE 4.11Å; W1042-M1127 HydrophobicContact CZ3-CG 4.07Å; W1042-M1127 HydrophobicContact CZ3-SD 4.08Å; W1042-M1134 HydrophobicContact CH2-CE 3.44Å; W1042-M1134 VanDerWaalsContact CH2-CE 3.44Å; W1042-M1134 HydrophobicContact CZ2-CE 3.29Å; W1042-M1134 HydrophobicContact CZ3-CE 4.46Å
1043	K	97.3	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.5	-177.3	-176.4	160.8	167.6	46.9	0	111.9	D1022 D1023 Y1024 I1045 S1061 G1062 G1103	D1022-K1043 VanDerWaalsContact C-NZ 3.29Å; D1022-K1043 WeakPolarHBondContact O-CG 3.2Å; D1022-K1043 PolarHBondContact O-NZ 2.63Å; D1022-K1043 IonicContact OD1-NZ 2.74Å; D1022-K1043 PolarHBondContact OD1-NZ 3.32Å; D1023-K1043 WeakPolarHBondContact O-CA 3.21Å; D1023-K1043 IonicContact OD1-NZ 2.79Å; D1023-K1043 PolarHBondContact OD1-NZ 3.24Å; Y1024-K1043 HydrophobicContact CD1-CB 3.67Å; Y1024-K1043 HydrophobicContact CD1-CD 4.49Å; Y1024-K1043 HydrophobicContact CD2-CB 4.38Å; Y1024-K1043 HydrophobicContact CD2-CD 3.67Å; Y1024-K1043 HydrophobicContact CD2-CG 4.5Å; Y1024-K1043 HydrophobicContact CE1-CB 3.47Å; Y1024-K1043 VanDerWaalsContact CE1-CB 3.47Å; Y1024-K1043 HydrophobicContact CE1-CD 4.27Å; Y1024-K1043 HydrophobicContact CE1-CG 4.46Å; Y1024-K1043 HydrophobicContact CE2-CB 4.22Å; Y1024-K1043 HydrophobicContact CE2-CD 3.4Å; Y1024-K1043 HydrophobicContact CE2-CG 4.39Å; Y1024-K1043 HydrophobicContact CG-CB 4.1Å; Y1024-K1043 HydrophobicContact CG-CD 4.2Å; K1043-I1045 WeakPolarHBondContact CE-O 3.16Å; K1043-I1045 PolarHBondContact NZ-O 2.62Å; K1043-S1061 WeakPolarHBondContact O-CA 3.03Å; K1043-G1062 PolarHBondContact O-N 3.23Å; K1043-G1103 VanDerWaalsContact O-CA 3.29Å; K1043-G1103 WeakPolarHBondContact O-CA 3.31Å
1044	Q	97.3	Very high	95.2	Very high	42 Å²	42	34.4 Å²	34.4	20%	0.196	18%	0.175	C	C	.	.	S	Bend	trans	-72.5	-56.7	-178.4	-171.6	-175	109.3	0	0	112.2	D1022 S1061 G1103 W1104 D1106	D1022-Q1044 HydrophobicContact CB-CB 4.17Å; D1022-Q1044 PolarHBondContact O-N 2.92Å; D1022-Q1044 VanDerWaalsContact O-N 3.1Å; Q1044-S1061 WeakPolarHBondContact O-CB 3.37Å; Q1044-G1103 WeakPolarHBondContact O-CA 3.26Å; Q1044-W1104 HydrophobicContact CB-CD2 3.77Å; Q1044-W1104 HydrophobicContact CB-CE3 3.95Å; Q1044-W1104 HydrophobicContact CB-CG 4.46Å; Q1044-W1104 HydrophobicContact CB-CH2 3.85Å; Q1044-W1104 HydrophobicContact CB-CZ2 3.68Å; Q1044-W1104 HydrophobicContact CB-CZ3 4.01Å; Q1044-W1104 HydrophobicContact CG-CD2 4.4Å; Q1044-W1104 HydrophobicContact CG-CE3 4.22Å; Q1044-W1104 HydrophobicContact CG-CZ3 4.33Å; Q1044-W1104 WeakPolarHBondContact CG-O 3.5Å; Q1044-D1106 PolarHBondContact NE2-OD1 3.33Å
1045	I	96.3	Very high	95	Very high	83 Å²	83	37.2 Å²	37.2	43%	0.426	19%	0.193	S	C	.	.	S	Bend	trans	-119.2	140.7	-172.8	-56.2	-179.9	0	0	0	110.2	D1022 K1043 Q1047	D1022-I1045 HydrophobicContact CB-CB 3.77Å; D1022-I1045 HydrophobicContact CB-CD1 3.88Å; D1022-I1045 HydrophobicContact CB-CG1 3.76Å; D1022-I1045 PolarHBondContact O-N 3.33Å; K1043-I1045 WeakPolarHBondContact CE-O 3.16Å; K1043-I1045 PolarHBondContact NZ-O 2.62Å; I1045-Q1047 PolarHBondContact O-N 3.22Å
1046	T	96.4	Very high	94.8	Very high	56 Å²	56	44.3 Å²	44.3	34%	0.344	22%	0.218	S	C	.	.			trans	-66	115.7	176.8	-66.7	0	0	0	0	111.1	G1059 Y1060 S1061	T1046-G1059 CarbonylContact C-O 3.54Å; T1046-G1059 WeakPolarHBondContact CA-O 3.39Å; T1046-Y1060 HydrophobicContact CG2-CD1 3.9Å; T1046-Y1060 HydrophobicContact CG2-CD2 4.47Å; T1046-Y1060 HydrophobicContact CG2-CE1 4.24Å; T1046-Y1060 HydrophobicContact CG2-CG 4.04Å; T1046-S1061 PolarHBondContact OG1-N 2.82Å; T1046-S1061 PolarHBondContact OG1-OG 2.87Å; T1046-S1061 VanDerWaalsContact OG1-OG 3.1Å
1047	Q	94.6	Very high	94.7	Very high	52 Å²	52	42.4 Å²	42.4	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.5	-170.9	-145.4	-149	99.9	0	0	111.8	D1022 D1023 I1045 G1059 W1083	D1022-Q1047 PolarHBondContact OD1-NE2 3.22Å; D1023-Q1047 PolarHBondContact OD1-NE2 3.45Å; D1023-Q1047 VanDerWaalsContact OD1-NE2 3.12Å; I1045-Q1047 PolarHBondContact O-N 3.22Å; Q1047-G1059 PolarHBondContact N-O 2.94Å; Q1047-G1059 PolarHBondContact O-N 3.21Å; Q1047-W1083 HydrophobicContact CB-CZ2 4.15Å; Q1047-W1083 PolarHBondContact O-NE1 2.98Å; Q1047-W1083 VanDerWaalsContact O-NE1 3.08Å
1048	T	95.1	Very high	94.6	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.27	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.3	169.7	-61.7	0	0	0	0	108.3	R1056 A1057	T1048-R1056 HydrophobicContact CG2-CG 4.05Å; T1048-R1056 VanDerWaalsContact CG2-NE 3.31Å; T1048-R1056 PolarHBondContact OG1-NH2 3.31Å; T1048-A1057 WeakPolarHBondContact CG2-O 3.43Å
1049	Y	93.4	Very high	94.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.			trans	-57.4	141.8	179.6	-167.4	-121	0	0	0	111.8	S1051 A1057 R1079 W1083 F1155	Y1049-S1051 VanDerWaalsContact CE1-CB 3.5Å; Y1049-S1051 PolarHBondContact O-N 2.63Å; Y1049-A1057 PolarHBondContact N-O 3.36Å; Y1049-A1057 VanDerWaalsContact N-O 3.11Å; Y1049-R1079 HydrophobicContact CE1-CG 4.4Å; Y1049-R1079 WeakPolarHBondContact OH-CD 3.48Å; Y1049-W1083 AromaticContact CD2-CD2 3.48Å; Y1049-W1083 HydrophobicContact CD2-CD2 3.48Å; Y1049-W1083 VanDerWaalsContact CD2-CD2 3.48Å; Y1049-W1083 AromaticContact CD2-CE2 3.75Å; Y1049-W1083 AromaticContact CD2-CE3 3.45Å; Y1049-W1083 HydrophobicContact CD2-CE3 3.45Å; Y1049-W1083 VanDerWaalsContact CD2-CE3 3.45Å; Y1049-W1083 HydrophobicContact CD2-CG 4.06Å; Y1049-W1083 AromaticContact CD2-CH2 3.84Å; Y1049-W1083 HydrophobicContact CD2-CH2 3.84Å; Y1049-W1083 AromaticContact CD2-CZ2 3.92Å; Y1049-W1083 HydrophobicContact CD2-CZ2 3.92Å; Y1049-W1083 AromaticContact CD2-CZ3 3.63Å; Y1049-W1083 HydrophobicContact CD2-CZ3 3.63Å; Y1049-W1083 HydrophobicContact CE2-CD2 4.32Å; Y1049-W1083 AromaticContact CE2-CE3 3.84Å; Y1049-W1083 HydrophobicContact CE2-CE3 3.84Å; Y1049-W1083 HydrophobicContact CE2-CH2 4.35Å; Y1049-W1083 AromaticContact CE2-CZ3 3.86Å; Y1049-W1083 HydrophobicContact CE2-CZ3 3.86Å; Y1049-W1083 HydrophobicContact CG-CD2 4.06Å; Y1049-W1083 HydrophobicContact CG-CE3 4.41Å; Y1049-W1083 HydrophobicContact CG-CG 4.18Å; Y1049-F1155 HydrophobicContact CD2-CZ 4.35Å; Y1049-F1155 AromaticContact CE2-CE1 3.88Å; Y1049-F1155 HydrophobicContact CE2-CE1 3.88Å; Y1049-F1155 AromaticContact CE2-CZ 3.68Å; Y1049-F1155 HydrophobicContact CE2-CZ 3.68Å; Y1049-F1155 AromaticContact CZ-CZ 3.97Å
1050	W	88.7	Confident	94.4	Very high	120 Å²	120	49.3 Å²	49.3	46%	0.455	24%	0.24	S	C	.	.	S	Bend	trans	-65.4	-37.9	-174.4	59.3	87.5	0	0	0	112.4	T972 H1052 W1083 S1156	T972-W1050 PolarHBondContact OG1-NE1 3.1Å; W1050-H1052 PolarHBondContact O-N 2.74Å; W1050-H1052 PolarHBondContact O-ND1 3.34Å; W1050-W1083 HydrophobicContact CZ3-CH2 4.05Å; W1050-W1083 HydrophobicContact CZ3-CZ3 4.24Å; W1050-S1156 WeakPolarHBondContact CH2-OG 3.1Å
1051	S	87.6	Confident	94.4	Very high	20 Å²	20	50 Å²	50	14%	0.14	25%	0.245	C	C	.	.			trans	-74	127.8	171.2	-170.2	0	0	0	0	111	Y1049 T1053	Y1049-S1051 VanDerWaalsContact CE1-CB 3.5Å; Y1049-S1051 PolarHBondContact O-N 2.63Å; S1051-T1053 PolarHBondContact OG-N 3.1Å; S1051-T1053 PolarHBondContact OG-O 3.23Å; S1051-T1053 PolarHBondContact OG-OG1 2.69Å
1052	H	88.9	Confident	94.3	Very high	121 Å²	121	50 Å²	50	56%	0.56	25%	0.245	S	C	*	.			trans	-96.2	-1	172.8	-61.3	-3.6	0	0	0	112.6	W1050 T1055	W1050-H1052 PolarHBondContact O-N 2.74Å; W1050-H1052 PolarHBondContact O-ND1 3.34Å; H1052-T1055 CarbonylContact O-C 3.47Å
1053	T	88.1	Confident	94.2	Very high	84 Å²	84	50 Å²	50	52%	0.515	25%	0.245	S	C	.	.	S	Bend	trans	-111.3	143.4	173.3	55.1	0	0	0	0	110.6	S1051 R1079 N1080	S1051-T1053 PolarHBondContact OG-N 3.1Å; S1051-T1053 PolarHBondContact OG-O 3.23Å; S1051-T1053 PolarHBondContact OG-OG1 2.69Å; T1053-R1079 PolarHBondContact O-NH2 2.84Å; T1053-N1080 PolarHBondContact O-ND2 2.7Å
1054	P	91.6	Very high	94.3	Very high	42 Å²	42	50 Å²	50	27%	0.273	25%	0.245	S	C	.	.	S	Bend	cis	-80.5	-21	0	32.5	-32.3	0	0	0	112.5	E1076 H1077	P1054-E1076 WeakPolarHBondContact CD-O 3.47Å; P1054-E1076 WeakPolarHBondContact CD-OE2 3.15Å; P1054-E1076 HydrophobicContact CG-CG 4.05Å; P1054-H1077 HydrophobicContact CG-CB 4.19Å
1055	T	93.7	Very high	94.4	Very high	59 Å²	59	48 Å²	48	36%	0.362	24%	0.235	S	C	.	.	S	Bend	trans	-129.9	153.1	177.5	55.1	0	0	0	0	110.3	H1052 A1057 N1080	H1052-T1055 CarbonylContact O-C 3.47Å; T1055-A1057 PolarHBondContact O-N 2.72Å; T1055-N1080 PolarHBondContact O-ND2 3.26Å
1056	R	93.9	Very high	94.5	Very high	161 Å²	161	44 Å²	44	61%	0.608	22%	0.215	S	C	*	.			trans	-81.8	104.6	174.2	-178.1	-176	169.8	-179	-2.4	110	T1048	T1048-R1056 HydrophobicContact CG2-CG 4.05Å; T1048-R1056 VanDerWaalsContact CG2-NE 3.31Å; T1048-R1056 PolarHBondContact OG1-NH2 3.31Å
1057	A	95.4	Very high	94.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	20%	0.2	C	C	.	.			trans	-81.9	141.2	175.7	0	0	0	0	0	112.5	T1048 Y1049 T1055 N1080 W1083 H1084	T1048-A1057 WeakPolarHBondContact CG2-O 3.43Å; Y1049-A1057 PolarHBondContact N-O 3.36Å; Y1049-A1057 VanDerWaalsContact N-O 3.11Å; T1055-A1057 PolarHBondContact O-N 2.72Å; A1057-N1080 HydrophobicContact CB-CB 4.22Å; A1057-N1080 WeakPolarHBondContact CB-O 3.38Å; A1057-W1083 HydrophobicContact CB-CB 4.02Å; A1057-W1083 HydrophobicContact CB-CG 4.25Å; A1057-H1084 HydrophobicContact CB-CB 4.09Å
1058	Q	96.3	Very high	94.8	Very high	58 Å²	58	39 Å²	39	27%	0.271	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.3	168.1	-175.6	178.3	-22.5	0	0	109.2	Y1060 H1084 T1085	Q1058-Y1060 HydrophobicContact CG-CD2 4.16Å; Q1058-Y1060 HydrophobicContact CG-CE2 3.8Å; Q1058-Y1060 PolarHBondContact NE2-OH 3.13Å; Q1058-H1084 PolarHBondContact N-ND1 2.97Å; Q1058-H1084 WeakPolarHBondContact O-CA 3.38Å; Q1058-H1084 PolarHBondContact O-ND1 2.84Å; Q1058-T1085 PolarHBondContact O-N 3.29Å
1059	G	96.6	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.8	175.7	0	0	0	0	0	109.4	Y1024 T1046 Q1047 W1083	Y1024-G1059 VanDerWaalsContact OH-CA 3.29Å; Y1024-G1059 WeakPolarHBondContact OH-CA 3.41Å; T1046-G1059 CarbonylContact C-O 3.54Å; T1046-G1059 WeakPolarHBondContact CA-O 3.39Å; Q1047-G1059 PolarHBondContact N-O 2.94Å; Q1047-G1059 PolarHBondContact O-N 3.21Å; G1059-W1083 WeakPolarHBondContact CA-O 2.95Å; G1059-W1083 VanDerWaalsContact N-CD1 3.33Å; G1059-W1083 PolarHBondContact N-O 3.14Å
1060	Y	97.5	Very high	95.1	Very high	86 Å²	86	41.2 Å²	41.2	34%	0.337	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-95.6	147.2	175.4	-78.1	-109.6	0	0	0	110.1	T1046 Q1058 T1085 N1101	T1046-Y1060 HydrophobicContact CG2-CD1 3.9Å; T1046-Y1060 HydrophobicContact CG2-CD2 4.47Å; T1046-Y1060 HydrophobicContact CG2-CE1 4.24Å; T1046-Y1060 HydrophobicContact CG2-CG 4.04Å; Q1058-Y1060 HydrophobicContact CG-CD2 4.16Å; Q1058-Y1060 HydrophobicContact CG-CE2 3.8Å; Q1058-Y1060 PolarHBondContact NE2-OH 3.13Å; Y1060-T1085 PolarHBondContact N-OG1 2.82Å; Y1060-N1101 WeakPolarHBondContact CD1-OD1 3.45Å
1061	S	97.2	Very high	95.5	Very high	17 Å²	17	40.6 Å²	40.6	12%	0.119	21%	0.209	C	C	.	.	S	Bend	trans	-65	142	168.7	52.5	0	0	0	0	109.9	K1043 Q1044 T1046 H1097 N1101	K1043-S1061 WeakPolarHBondContact O-CA 3.03Å; Q1044-S1061 WeakPolarHBondContact O-CB 3.37Å; T1046-S1061 PolarHBondContact OG1-N 2.82Å; T1046-S1061 PolarHBondContact OG1-OG 2.87Å; T1046-S1061 VanDerWaalsContact OG1-OG 3.1Å; S1061-H1097 PolarHBondContact O-CE1 3.25Å; S1061-H1097 PolarHBondContact O-NE2 3.06Å; S1061-N1101 CarbonylContact C-O 3.44Å; S1061-N1101 CarbonylContact O-C 3.43Å; S1061-N1101 VanDerWaalsContact O-C 3.25Å; S1061-N1101 WeakPolarHBondContact O-CA 3.43Å; S1061-N1101 WeakPolarHBondContact O-CB 2.98Å; S1061-N1101 PolarHBondContact OG-O 3.26Å
1062	G	95.9	Very high	95.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.8	147.5	-171	0	0	0	0	0	113.4	K1043 S1064 I1102	K1043-G1062 PolarHBondContact O-N 3.23Å; G1062-S1064 PolarHBondContact O-OG 3.39Å; G1062-I1102 VanDerWaalsContact CA-O 3.29Å; G1062-I1102 WeakPolarHBondContact CA-O 3.4Å
1063	L	97.3	Very high	96	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.5	176.2	-171	67.5	0	0	0	109.4	V1040 W1042 W1096 H1097 D1098 V1125 M1127 A1135	V1040-L1063 HydrophobicContact CG1-CD1 3.58Å; V1040-L1063 HydrophobicContact CG1-CG 4.17Å; W1042-L1063 HydrophobicContact CB-CD1 3.93Å; W1042-L1063 VanDerWaalsContact CD1-N 3.31Å; W1042-L1063 HydrophobicContact CD2-CD1 4.39Å; W1042-L1063 HydrophobicContact CG-CB 4.47Å; W1042-L1063 HydrophobicContact CG-CD1 4.11Å; L1063-W1096 HydrophobicContact CB-CH2 4.3Å; L1063-W1096 HydrophobicContact CB-CZ3 3.9Å; L1063-W1096 HydrophobicContact CD2-CH2 4.34Å; L1063-W1096 HydrophobicContact CD2-CZ3 4.02Å; L1063-W1096 HydrophobicContact CG-CZ3 3.98Å; L1063-W1096 VanDerWaalsContact O-CZ3 3.29Å; L1063-W1096 WeakPolarHBondContact O-CZ3 3.48Å; L1063-H1097 CarbonylContact O-C 3.49Å; L1063-H1097 WeakPolarHBondContact O-CA 3.28Å; L1063-H1097 PolarHBondContact O-ND1 3.06Å; L1063-D1098 PolarHBondContact O-N 3.01Å; L1063-V1125 HydrophobicContact CD2-CG1 4.23Å; L1063-M1127 HydrophobicContact CD1-CE 3.85Å; L1063-M1127 HydrophobicContact CD2-CB 3.99Å; L1063-M1127 HydrophobicContact CD2-CE 4.34Å; L1063-A1135 HydrophobicContact CD2-CB 4.35Å
1064	S	98.3	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.1	-176.1	-50.6	0	0	0	0	110	V1040 M1041 G1062 H1097	V1040-S1064 WeakPolarHBondContact CA-O 3.3Å; M1041-S1064 PolarHBondContact N-O 3.22Å; M1041-S1064 WeakPolarHBondContact O-CB 3.17Å; M1041-S1064 PolarHBondContact O-N 3.35Å; G1062-S1064 PolarHBondContact O-OG 3.39Å; S1064-H1097 PolarHBondContact OG-ND1 2.95Å
1065	I	98.6	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	175.5	-55.9	165.7	0	0	0	107.1	T1039 V1040 L1095 W1096 I1123 V1125 I1140	T1039-I1065 WeakPolarHBondContact O-CA 3.24Å; V1040-I1065 HydrophobicContact CG1-CG1 4.49Å; V1040-I1065 HydrophobicContact CG2-CG1 4.3Å; I1065-L1095 HydrophobicContact CG2-CB 4.33Å; I1065-L1095 HydrophobicContact CG2-CD1 4.26Å; I1065-L1095 PolarHBondContact O-N 3.49Å; I1065-W1096 HydrophobicContact CB-CB 4.39Å; I1065-W1096 HydrophobicContact CD1-CB 4.31Å; I1065-W1096 HydrophobicContact CD1-CD2 4.17Å; I1065-W1096 HydrophobicContact CD1-CE3 3.63Å; I1065-W1096 HydrophobicContact CD1-CG 4.49Å; I1065-W1096 HydrophobicContact CD1-CZ3 4.27Å; I1065-W1096 HydrophobicContact CG1-CE3 3.85Å; I1065-W1096 HydrophobicContact CG1-CZ3 4.44Å; I1065-W1096 PolarHBondContact N-O 2.88Å; I1065-W1096 PolarHBondContact O-N 3.15Å; I1065-W1096 VanDerWaalsContact O-N 3.16Å; I1065-I1123 HydrophobicContact CG2-CG2 4.47Å; I1065-V1125 HydrophobicContact CD1-CB 3.81Å; I1065-V1125 HydrophobicContact CD1-CG2 3.6Å; I1065-V1125 HydrophobicContact CG1-CG2 4.09Å; I1065-I1140 HydrophobicContact CB-CD1 4.43Å; I1065-I1140 HydrophobicContact CD1-CD1 3.64Å; I1065-I1140 HydrophobicContact CG2-CD1 4.31Å
1066	K	98.7	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.1	-175.6	-45.8	-173.6	-173.6	178.3	0	110.7	Y1038 T1039 M1041 L1082 H1084 V1092 R1093 T1094	Y1038-K1066 WeakPolarHBondContact CA-O 3.27Å; T1039-K1066 HydrophobicContact CG2-CB 3.97Å; T1039-K1066 PolarHBondContact N-O 2.71Å; T1039-K1066 PolarHBondContact O-N 2.72Å; M1041-K1066 HydrophobicContact CE-CD 4.23Å; M1041-K1066 HydrophobicContact SD-CD 3.99Å; M1041-K1066 WeakPolarHBondContact SD-CE 3.3Å; M1041-K1066 PolarHBondContact SD-NZ 2.91Å; K1066-L1082 PolarHBondContact NZ-O 2.82Å; K1066-H1084 PolarHBondContact NZ-O 3.26Å; K1066-V1092 HydrophobicContact CB-CG1 3.78Å; K1066-V1092 HydrophobicContact CD-CG1 3.73Å; K1066-V1092 HydrophobicContact CG-CG1 4.32Å; K1066-R1093 CarbonylContact C-O 3.54Å; K1066-R1093 VanDerWaalsContact CA-O 3.31Å; K1066-R1093 WeakPolarHBondContact CA-O 3.35Å; K1066-T1094 HydrophobicContact CG-CG2 4.47Å
1067	V	98.7	Very high	96.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.6	163.8	64.9	0	0	0	0	108.6	Y1038 V1092 R1093 L1095 T1144 Y1145	Y1038-V1067 HydrophobicContact CD1-CB 3.65Å; Y1038-V1067 HydrophobicContact CD1-CG2 3.59Å; Y1038-V1067 HydrophobicContact CE1-CB 3.88Å; Y1038-V1067 HydrophobicContact CE1-CG2 3.57Å; Y1038-V1067 HydrophobicContact CG-CG2 4.49Å; V1067-V1092 WeakPolarHBondContact O-CA 3.19Å; V1067-R1093 HydrophobicContact CG1-CB 3.83Å; V1067-R1093 HydrophobicContact CG1-CG 4.33Å; V1067-R1093 PolarHBondContact N-O 3.15Å; V1067-R1093 PolarHBondContact O-N 3.3Å; V1067-L1095 HydrophobicContact CB-CD1 4.4Å; V1067-L1095 HydrophobicContact CB-CD2 4.33Å; V1067-L1095 HydrophobicContact CB-CG 4.42Å; V1067-L1095 HydrophobicContact CG1-CD2 3.79Å; V1067-L1095 HydrophobicContact CG1-CG 4.33Å; V1067-T1144 HydrophobicContact CG2-CG2 4.01Å; V1067-Y1145 HydrophobicContact CG2-CD2 4.05Å; V1067-Y1145 HydrophobicContact CG2-CE2 3.53Å
1068	V	98.7	Very high	96.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.7	175.1	-177.5	0	0	0	0	107.5	S1035 F1037 T1039 L1078 L1082 V1092 Y1145	S1035-V1068 CarbonylContact O-C 3.57Å; F1037-V1068 HydrophobicContact CD1-CB 3.9Å; F1037-V1068 HydrophobicContact CD1-CG1 4.13Å; F1037-V1068 HydrophobicContact CD1-CG2 4.18Å; F1037-V1068 HydrophobicContact CD2-CB 4.45Å; F1037-V1068 HydrophobicContact CD2-CG2 3.99Å; F1037-V1068 HydrophobicContact CE1-CB 3.9Å; F1037-V1068 HydrophobicContact CE1-CG1 3.81Å; F1037-V1068 HydrophobicContact CE1-CG2 3.88Å; F1037-V1068 HydrophobicContact CE2-CB 4.45Å; F1037-V1068 HydrophobicContact CE2-CG2 3.69Å; F1037-V1068 HydrophobicContact CG-CB 4.2Å; F1037-V1068 HydrophobicContact CG-CG2 4.24Å; F1037-V1068 HydrophobicContact CZ-CB 4.2Å; F1037-V1068 HydrophobicContact CZ-CG1 4.32Å; F1037-V1068 HydrophobicContact CZ-CG2 3.63Å; F1037-V1068 PolarHBondContact N-O 3.09Å; F1037-V1068 WeakPolarHBondContact O-CB 3.39Å; F1037-V1068 PolarHBondContact O-N 2.87Å; T1039-V1068 HydrophobicContact CG2-CG2 4.07Å; V1068-L1078 HydrophobicContact CG1-CD1 3.55Å; V1068-L1078 HydrophobicContact CG1-CD2 4.41Å; V1068-L1082 HydrophobicContact CG2-CD2 3.77Å; V1068-V1092 HydrophobicContact CG1-CG2 4.38Å; V1068-V1092 HydrophobicContact CG2-CG2 4.18Å; V1068-Y1145 VanDerWaalsContact O-CE2 3.3Å; V1068-Y1145 WeakPolarHBondContact O-CE2 3.47Å; V1068-Y1145 PolarHBondContact O-OH 3.01Å
1069	N	97.8	Very high	96.4	Very high	76 Å²	76	28.5 Å²	28.5	41%	0.406	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	83	174.3	-172.3	-80.2	0	0	0	106.1	S1035 G1090 Q1091 Y1145	S1035-N1069 CarbonylContact O-C 3.56Å; S1035-N1069 VanDerWaalsContact O-CA 3.27Å; S1035-N1069 WeakPolarHBondContact O-CA 3.44Å; N1069-G1090 CarbonylContact O-C 3.52Å; N1069-Q1091 CarbonylContact C-O 3.33Å; N1069-Q1091 PolarHBondContact N-O 3.24Å; N1069-Q1091 CarbonylContact O-C 3.5Å; N1069-Q1091 PolarHBondContact O-N 3.28Å; N1069-Y1145 WeakPolarHBondContact CA-OH 3.19Å; N1069-Y1145 WeakPolarHBondContact CB-OH 3.19Å; N1069-Y1145 PolarHBondContact ND2-OH 2.7Å
1070	S	97.7	Very high	96.4	Very high	15 Å²	15	28.5 Å²	28.5	11%	0.105	16%	0.156	C	C	.	.			trans	-89.1	120.4	-167.8	-172.2	0	0	0	0	112.5	S1035 T1072 G1073 Q1091	S1035-S1070 PolarHBondContact O-N 3.18Å; S1070-T1072 PolarHBondContact O-N 2.91Å; S1070-T1072 PolarHBondContact OG-N 3.42Å; S1070-T1072 PolarHBondContact OG-OG1 3.09Å; S1070-G1073 PolarHBondContact OG-N 2.96Å; S1070-G1073 VanDerWaalsContact OG-N 3.16Å; S1070-G1073 PolarHBondContact OG-O 3.24Å; S1070-Q1091 PolarHBondContact OG-NE2 2.83Å
1071	T	96.4	Very high	96.4	Very high	107 Å²	107	24.4 Å²	24.4	66%	0.656	14%	0.14	S	C	*	.	S	Bend	trans	-82.5	12.8	170.6	68.6	0	0	0	0	113.3	G1090	T1071-G1090 PolarHBondContact N-O 2.82Å; T1071-G1090 PolarHBondContact OG1-O 2.97Å; T1071-G1090 VanDerWaalsContact OG1-O 3.11Å
1072	T	94.6	Very high	96.4	Very high	73 Å²	73	23.6 Å²	23.6	45%	0.448	13%	0.134	S	C	.	.	S	Bend	trans	-137.3	-5.3	-178.2	60	0	0	0	0	114.9	S1070 H1077 Q1091	S1070-T1072 PolarHBondContact O-N 2.91Å; S1070-T1072 PolarHBondContact OG-N 3.42Å; S1070-T1072 PolarHBondContact OG-OG1 3.09Å; T1072-H1077 HydrophobicContact CG2-CB 4.43Å; T1072-Q1091 PolarHBondContact OG1-NE2 2.63Å; T1072-Q1091 PolarHBondContact OG1-OE1 2.82Å
1073	G	93.8	Very high	96.5	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	13%	0.134	C	C	.	.			trans	61	-162.7	-166.7	0	0	0	0	0	113.9	S1035 S1070 L1078	S1035-G1073 WeakPolarHBondContact OG-CA 3.38Å; S1070-G1073 PolarHBondContact OG-N 2.96Å; S1070-G1073 VanDerWaalsContact OG-N 3.16Å; S1070-G1073 PolarHBondContact OG-O 3.24Å; G1073-L1078 WeakPolarHBondContact O-CB 3.41Å
1074	P	94.6	Very high	96.5	Very high	26 Å²	26	26 Å²	26	17%	0.169	15%	0.145	C	C	.	.	S	Bend	trans	-56.9	148.6	175	-29.3	38.2	0	0	0	114.9	P969 S1034	P969-P1074 HydrophobicContact CG-CB 4.32Å; S1034-P1074 VanDerWaalsContact OG-CD 3.29Å; S1034-P1074 WeakPolarHBondContact OG-CD 3.21Å; S1034-P1074 WeakPolarHBondContact OG-CG 3.17Å
1075	G	92.9	Very high	96.5	Very high	10 Å²	10	27 Å²	27	10%	0.103	15%	0.151	C	C	.	.	S	Bend	trans	132.5	-168.7	177.2	0	0	0	0	0	114.3	L967 D968 H1077 L1078 R1079	L967-G1075 PolarHBondContact O-N 3.32Å; D968-G1075 VanDerWaalsContact OD1-C 3.32Å; D968-G1075 VanDerWaalsContact OD1-CA 3.23Å; D968-G1075 WeakPolarHBondContact OD1-CA 3.48Å; G1075-H1077 PolarHBondContact O-N 2.91Å; G1075-L1078 PolarHBondContact O-N 3.28Å; G1075-R1079 WeakPolarHBondContact O-CB 3.39Å; G1075-R1079 PolarHBondContact O-N 3.29Å
1076	E	93.3	Very high	96.3	Very high	80 Å²	80	28.1 Å²	28.1	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-56.9	-28.3	-170.5	70.1	159	169.9	0	0	115.3	D968 P1054 N1080	D968-E1076 PolarHBondContact OD1-N 2.76Å; P1054-E1076 WeakPolarHBondContact CD-O 3.47Å; P1054-E1076 WeakPolarHBondContact CD-OE2 3.15Å; P1054-E1076 HydrophobicContact CG-CG 4.05Å; E1076-N1080 WeakPolarHBondContact O-CB 3.49Å; E1076-N1080 PolarHBondContact O-N 2.83Å; E1076-N1080 PolarHBondContact O-OD1 2.91Å
1077	H	94.9	Very high	96.3	Very high	85 Å²	85	33.2 Å²	33.2	39%	0.394	19%	0.19	S	C	.	.	H	α-helix	trans	-69.5	-51.7	175.9	-83	-93.1	0	0	0	111.8	P1054 T1072 G1075 A1081 Q1091	P1054-H1077 HydrophobicContact CG-CB 4.19Å; T1072-H1077 HydrophobicContact CG2-CB 4.43Å; G1075-H1077 PolarHBondContact O-N 2.91Å; H1077-A1081 WeakPolarHBondContact O-CB 3.41Å; H1077-A1081 PolarHBondContact O-N 2.81Å; H1077-A1081 VanDerWaalsContact O-N 3.11Å; H1077-Q1091 PolarHBondContact O-OE1 2.78Å
1078	L	96.1	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.3	-44.8	-176.6	177.2	55.4	0	0	0	110.8	L967 S1034 V1068 G1073 G1075 N1080 A1081 L1082 V1092	L967-L1078 HydrophobicContact CD2-CD2 4.33Å; S1034-L1078 WeakPolarHBondContact O-CD2 3.48Å; V1068-L1078 HydrophobicContact CG1-CD1 3.55Å; V1068-L1078 HydrophobicContact CG1-CD2 4.41Å; G1073-L1078 WeakPolarHBondContact O-CB 3.41Å; G1075-L1078 PolarHBondContact O-N 3.28Å; L1078-N1080 PolarHBondContact O-N 2.83Å; L1078-A1081 CarbonylContact O-C 3.43Å; L1078-A1081 WeakPolarHBondContact O-CA 3.38Å; L1078-A1081 WeakPolarHBondContact O-CB 3.17Å; L1078-A1081 PolarHBondContact O-N 3.44Å; L1078-L1082 HydrophobicContact CD1-CD1 4.04Å; L1078-L1082 HydrophobicContact CD1-CD2 4.43Å; L1078-L1082 HydrophobicContact CD1-CG 3.9Å; L1078-L1082 HydrophobicContact CG-CD1 3.83Å; L1078-L1082 HydrophobicContact CG-CG 4.22Å; L1078-L1082 WeakPolarHBondContact O-CB 3.45Å; L1078-L1082 WeakPolarHBondContact O-CG 3.45Å; L1078-L1082 PolarHBondContact O-N 3.16Å; L1078-V1092 HydrophobicContact CD1-CG2 3.82Å
1079	R	95.5	Very high	96.1	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-48.1	-53	172.3	177.5	-168.7	75.3	-153.2	-2.1	112.9	D968 P996 Y1049 T1053 G1075 A1081 L1082 W1083 F1155	D968-R1079 HydrophobicContact CB-CB 4.21Å; D968-R1079 HydrophobicContact CB-CG 4.43Å; D968-R1079 IonicContact OD1-NH1 3.41Å; D968-R1079 WeakPolarHBondContact OD2-CD 3.38Å; D968-R1079 IonicContact OD2-CZ 3.01Å; D968-R1079 IonicContact OD2-NE 3.19Å; D968-R1079 IonicContact OD2-NH1 2.78Å; D968-R1079 PolarHBondContact OD2-NH1 3.2Å; P996-R1079 HydrophobicContact CG-CB 4.43Å; P996-R1079 HydrophobicContact CG-CG 4.1Å; Y1049-R1079 HydrophobicContact CE1-CG 4.4Å; Y1049-R1079 WeakPolarHBondContact OH-CD 3.48Å; T1053-R1079 PolarHBondContact O-NH2 2.84Å; G1075-R1079 WeakPolarHBondContact O-CB 3.39Å; G1075-R1079 PolarHBondContact O-N 3.29Å; R1079-A1081 VanDerWaalsContact C-N 3.31Å; R1079-A1081 PolarHBondContact O-N 3.05Å; R1079-L1082 PolarHBondContact O-N 2.92Å; R1079-W1083 PolarHBondContact O-N 2.78Å; R1079-F1155 HydrophobicContact CG-CE1 4.31Å; R1079-F1155 HydrophobicContact CG-CE2 3.98Å; R1079-F1155 HydrophobicContact CG-CZ 3.46Å; R1079-F1155 VanDerWaalsContact CG-CZ 3.46Å
1080	N	95.4	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70	-30	-178.5	-73.6	37.4	0	0	0	111.8	T1053 T1055 A1057 E1076 L1078 H1084	T1053-N1080 PolarHBondContact O-ND2 2.7Å; T1055-N1080 PolarHBondContact O-ND2 3.26Å; A1057-N1080 HydrophobicContact CB-CB 4.22Å; A1057-N1080 WeakPolarHBondContact CB-O 3.38Å; E1076-N1080 WeakPolarHBondContact O-CB 3.49Å; E1076-N1080 PolarHBondContact O-N 2.83Å; E1076-N1080 PolarHBondContact O-OD1 2.91Å; L1078-N1080 PolarHBondContact O-N 2.83Å; N1080-H1084 WeakPolarHBondContact O-CB 3.45Å; N1080-H1084 PolarHBondContact O-N 2.9Å
1081	A	97.6	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.4	-41.7	173.2	0	0	0	0	0	112.4	H1077 L1078 R1079 H1084 T1088 Q1091 V1092	H1077-A1081 WeakPolarHBondContact O-CB 3.41Å; H1077-A1081 PolarHBondContact O-N 2.81Å; H1077-A1081 VanDerWaalsContact O-N 3.11Å; L1078-A1081 CarbonylContact O-C 3.43Å; L1078-A1081 WeakPolarHBondContact O-CA 3.38Å; L1078-A1081 WeakPolarHBondContact O-CB 3.17Å; L1078-A1081 PolarHBondContact O-N 3.44Å; R1079-A1081 VanDerWaalsContact C-N 3.31Å; R1079-A1081 PolarHBondContact O-N 3.05Å; A1081-H1084 PolarHBondContact O-N 3.4Å; A1081-T1088 HydrophobicContact CB-CG2 3.81Å; A1081-Q1091 HydrophobicContact CB-CB 3.51Å; A1081-Q1091 HydrophobicContact CB-CG 4.22Å; A1081-V1092 HydrophobicContact CB-CB 3.99Å; A1081-V1092 HydrophobicContact CB-CG2 3.55Å
1082	L	97.6	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-44.2	175.4	-73.5	167.2	0	0	0	111.7	L967 F1037 T1039 M1041 K1066 V1068 L1078 R1079 H1084 V1092	L967-L1082 HydrophobicContact CB-CD1 4.34Å; L967-L1082 HydrophobicContact CD1-CD1 3.76Å; F1037-L1082 HydrophobicContact CZ-CD2 4.36Å; T1039-L1082 HydrophobicContact CG2-CD2 4.4Å; M1041-L1082 HydrophobicContact CE-CB 4.43Å; M1041-L1082 HydrophobicContact CE-CD2 3.91Å; K1066-L1082 PolarHBondContact NZ-O 2.82Å; V1068-L1082 HydrophobicContact CG2-CD2 3.77Å; L1078-L1082 HydrophobicContact CD1-CD1 4.04Å; L1078-L1082 HydrophobicContact CD1-CD2 4.43Å; L1078-L1082 HydrophobicContact CD1-CG 3.9Å; L1078-L1082 HydrophobicContact CG-CD1 3.83Å; L1078-L1082 HydrophobicContact CG-CG 4.22Å; L1078-L1082 WeakPolarHBondContact O-CB 3.45Å; L1078-L1082 WeakPolarHBondContact O-CG 3.45Å; L1078-L1082 PolarHBondContact O-N 3.16Å; R1079-L1082 PolarHBondContact O-N 2.92Å; L1082-H1084 VanDerWaalsContact C-N 3.28Å; L1082-H1084 PolarHBondContact O-N 3.04Å; L1082-V1092 HydrophobicContact CD2-CG2 4.28Å; L1082-V1092 HydrophobicContact CG-CG2 4.38Å
1083	W	97.3	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-30.9	175	-170.3	-76.1	0	0	0	112.9	D1023 Y1024 Q1047 Y1049 W1050 A1057 G1059 R1079 T1085 F1155	D1023-W1083 WeakPolarHBondContact OD1-CH2 3.37Å; D1023-W1083 WeakPolarHBondContact OD2-CH2 3.4Å; Y1024-W1083 HydrophobicContact CD2-CD2 4.17Å; Y1024-W1083 AromaticContact CD2-CE3 3.96Å; Y1024-W1083 HydrophobicContact CD2-CE3 3.96Å; Y1024-W1083 HydrophobicContact CD2-CZ3 4.44Å; Y1024-W1083 HydrophobicContact CE2-CD2 4.04Å; Y1024-W1083 HydrophobicContact CE2-CE3 4.31Å; Y1024-W1083 HydrophobicContact CE2-CG 4.15Å; Y1024-W1083 PolarHBondContact OH-O 3.22Å; Q1047-W1083 HydrophobicContact CB-CZ2 4.15Å; Q1047-W1083 PolarHBondContact O-NE1 2.98Å; Q1047-W1083 VanDerWaalsContact O-NE1 3.08Å; Y1049-W1083 AromaticContact CD2-CD2 3.48Å; Y1049-W1083 HydrophobicContact CD2-CD2 3.48Å; Y1049-W1083 VanDerWaalsContact CD2-CD2 3.48Å; Y1049-W1083 AromaticContact CD2-CE2 3.75Å; Y1049-W1083 AromaticContact CD2-CE3 3.45Å; Y1049-W1083 HydrophobicContact CD2-CE3 3.45Å; Y1049-W1083 VanDerWaalsContact CD2-CE3 3.45Å; Y1049-W1083 HydrophobicContact CD2-CG 4.06Å; Y1049-W1083 AromaticContact CD2-CH2 3.84Å; Y1049-W1083 HydrophobicContact CD2-CH2 3.84Å; Y1049-W1083 AromaticContact CD2-CZ2 3.92Å; Y1049-W1083 HydrophobicContact CD2-CZ2 3.92Å; Y1049-W1083 AromaticContact CD2-CZ3 3.63Å; Y1049-W1083 HydrophobicContact CD2-CZ3 3.63Å; Y1049-W1083 HydrophobicContact CE2-CD2 4.32Å; Y1049-W1083 AromaticContact CE2-CE3 3.84Å; Y1049-W1083 HydrophobicContact CE2-CE3 3.84Å; Y1049-W1083 HydrophobicContact CE2-CH2 4.35Å; Y1049-W1083 AromaticContact CE2-CZ3 3.86Å; Y1049-W1083 HydrophobicContact CE2-CZ3 3.86Å; Y1049-W1083 HydrophobicContact CG-CD2 4.06Å; Y1049-W1083 HydrophobicContact CG-CE3 4.41Å; Y1049-W1083 HydrophobicContact CG-CG 4.18Å; W1050-W1083 HydrophobicContact CZ3-CH2 4.05Å; W1050-W1083 HydrophobicContact CZ3-CZ3 4.24Å; A1057-W1083 HydrophobicContact CB-CB 4.02Å; A1057-W1083 HydrophobicContact CB-CG 4.25Å; G1059-W1083 WeakPolarHBondContact CA-O 2.95Å; G1059-W1083 VanDerWaalsContact N-CD1 3.33Å; G1059-W1083 PolarHBondContact N-O 3.14Å; R1079-W1083 PolarHBondContact O-N 2.78Å; W1083-T1085 PolarHBondContact O-N 2.95Å; W1083-F1155 HydrophobicContact CB-CE2 3.97Å; W1083-F1155 HydrophobicContact CD2-CE2 4.45Å; W1083-F1155 HydrophobicContact CE3-CD1 4.34Å; W1083-F1155 AromaticContact CE3-CD2 3.98Å; W1083-F1155 HydrophobicContact CE3-CD2 3.98Å; W1083-F1155 AromaticContact CE3-CE1 3.97Å; W1083-F1155 HydrophobicContact CE3-CE1 3.97Å; W1083-F1155 AromaticContact CE3-CE2 3.62Å; W1083-F1155 HydrophobicContact CE3-CE2 3.62Å; W1083-F1155 HydrophobicContact CE3-CG 4.33Å; W1083-F1155 AromaticContact CE3-CZ 3.58Å; W1083-F1155 HydrophobicContact CE3-CZ 3.58Å; W1083-F1155 HydrophobicContact CZ3-CD1 4.35Å; W1083-F1155 HydrophobicContact CZ3-CE1 4.1Å; W1083-F1155 HydrophobicContact CZ3-CZ 4.18Å
1084	H	98.1	Very high	96.4	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.255	20%	0.201	S	C	.	.	S	Bend	trans	-75.9	123.7	-174.3	-170.2	18.1	0	0	0	112.2	A1057 Q1058 K1066 N1080 A1081 L1082 G1086	A1057-H1084 HydrophobicContact CB-CB 4.09Å; Q1058-H1084 PolarHBondContact N-ND1 2.97Å; Q1058-H1084 WeakPolarHBondContact O-CA 3.38Å; Q1058-H1084 PolarHBondContact O-ND1 2.84Å; K1066-H1084 PolarHBondContact NZ-O 3.26Å; N1080-H1084 WeakPolarHBondContact O-CB 3.45Å; N1080-H1084 PolarHBondContact O-N 2.9Å; A1081-H1084 PolarHBondContact O-N 3.4Å; L1082-H1084 VanDerWaalsContact C-N 3.28Å; L1082-H1084 PolarHBondContact O-N 3.04Å; H1084-G1086 PolarHBondContact O-N 2.84Å
1085	T	97.5	Very high	96.6	Very high	21 Å²	21	34.5 Å²	34.5	13%	0.129	20%	0.202	C	C	.	.	S	Bend	trans	-76.3	103.3	164.2	-52.6	0	0	0	0	109.1	Q1058 Y1060 W1083 H1097	Q1058-T1085 PolarHBondContact O-N 3.29Å; Y1060-T1085 PolarHBondContact N-OG1 2.82Å; W1083-T1085 PolarHBondContact O-N 2.95Å; T1085-H1097 HydrophobicContact CG2-CB 4.12Å
1086	G	95.1	Very high	96.9	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	21%	0.205	C	C	.	.	S	Bend	trans	147.4	-169	-173.8	0	0	0	0	0	112.2	H1084 T1094	H1084-G1086 PolarHBondContact O-N 2.84Å; G1086-T1094 PolarHBondContact N-OG1 2.76Å; G1086-T1094 VanDerWaalsContact N-OG1 3.15Å; G1086-T1094 PolarHBondContact O-OG1 2.97Å
1087	D	97.9	Very high	97.1	Very high	108 Å²	108	34.1 Å²	34.1	58%	0.578	20%	0.195	S	C	*	.			trans	-100.5	128.4	177.9	-66.3	-17.8	0	0	0	110.9	R1093 T1094	D1087-R1093 WeakPolarHBondContact OD1-CA 3.42Å; D1087-T1094 PolarHBondContact OD1-N 2.81Å
1088	T	97.6	Very high	97.2	Very high	23 Å²	23	30.3 Å²	30.3	14%	0.141	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-114	109.5	169.5	-55.7	0	0	0	0	108.4	A1081 G1090 Q1091 V1092	A1081-T1088 HydrophobicContact CB-CG2 3.81Å; T1088-G1090 PolarHBondContact O-N 2.94Å; T1088-Q1091 HydrophobicContact CG2-CB 3.95Å; T1088-Q1091 HydrophobicContact CG2-CG 4Å; T1088-Q1091 PolarHBondContact O-N 3Å; T1088-V1092 PolarHBondContact N-O 3.18Å; T1088-V1092 PolarHBondContact O-N 2.98Å
1089	A	96.1	Very high	97	Very high	104 Å²	104	35.6 Å²	35.6	86%	0.86	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	126.6	-170.7	0	0	0	0	0	112.7	Q1091	A1089-Q1091 VanDerWaalsContact C-N 3.33Å
1090	G	95.1	Very high	96.9	Very high	34 Å²	34	40.6 Å²	40.6	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	20.6	-176.5	0	0	0	0	0	114.4	N1069 T1071 T1088	N1069-G1090 CarbonylContact O-C 3.52Å; T1071-G1090 PolarHBondContact N-O 2.82Å; T1071-G1090 PolarHBondContact OG1-O 2.97Å; T1071-G1090 VanDerWaalsContact OG1-O 3.11Å; T1088-G1090 PolarHBondContact O-N 2.94Å
1091	Q	97.7	Very high	96.9	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.047	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.5	-66.6	-179	-63.2	-71.8	-71.7	0	0	111.9	N1069 S1070 T1072 H1077 A1081 T1088 A1089	N1069-Q1091 CarbonylContact C-O 3.33Å; N1069-Q1091 PolarHBondContact N-O 3.24Å; N1069-Q1091 CarbonylContact O-C 3.5Å; N1069-Q1091 PolarHBondContact O-N 3.28Å; S1070-Q1091 PolarHBondContact OG-NE2 2.83Å; T1072-Q1091 PolarHBondContact OG1-NE2 2.63Å; T1072-Q1091 PolarHBondContact OG1-OE1 2.82Å; H1077-Q1091 PolarHBondContact O-OE1 2.78Å; A1081-Q1091 HydrophobicContact CB-CB 3.51Å; A1081-Q1091 HydrophobicContact CB-CG 4.22Å; T1088-Q1091 HydrophobicContact CG2-CB 3.95Å; T1088-Q1091 HydrophobicContact CG2-CG 4Å; T1088-Q1091 PolarHBondContact O-N 3Å; A1089-Q1091 VanDerWaalsContact C-N 3.33Å
1092	V	98.5	Very high	96.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.1	-171.1	-178.3	0	0	0	0	109.6	K1066 V1067 V1068 L1078 A1081 L1082 T1088	K1066-V1092 HydrophobicContact CB-CG1 3.78Å; K1066-V1092 HydrophobicContact CD-CG1 3.73Å; K1066-V1092 HydrophobicContact CG-CG1 4.32Å; V1067-V1092 WeakPolarHBondContact O-CA 3.19Å; V1068-V1092 HydrophobicContact CG1-CG2 4.38Å; V1068-V1092 HydrophobicContact CG2-CG2 4.18Å; L1078-V1092 HydrophobicContact CD1-CG2 3.82Å; A1081-V1092 HydrophobicContact CB-CB 3.99Å; A1081-V1092 HydrophobicContact CB-CG2 3.55Å; L1082-V1092 HydrophobicContact CD2-CG2 4.28Å; L1082-V1092 HydrophobicContact CG-CG2 4.38Å; T1088-V1092 PolarHBondContact N-O 3.18Å; T1088-V1092 PolarHBondContact O-N 2.98Å
1093	R	98.4	Very high	96.6	Very high	98 Å²	98	46.9 Å²	46.9	37%	0.37	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.9	173.5	170.3	170.8	61.2	99.6	-4.1	109.4	K1066 V1067 D1087 L1095 D1142 T1144	K1066-R1093 CarbonylContact C-O 3.54Å; K1066-R1093 VanDerWaalsContact CA-O 3.31Å; K1066-R1093 WeakPolarHBondContact CA-O 3.35Å; V1067-R1093 HydrophobicContact CG1-CB 3.83Å; V1067-R1093 HydrophobicContact CG1-CG 4.33Å; V1067-R1093 PolarHBondContact N-O 3.15Å; V1067-R1093 PolarHBondContact O-N 3.3Å; D1087-R1093 WeakPolarHBondContact OD1-CA 3.42Å; R1093-L1095 HydrophobicContact CG-CD2 4.43Å; R1093-L1095 PolarHBondContact O-N 2.97Å; R1093-D1142 IonicContact CZ-OD2 3.16Å; R1093-D1142 IonicContact NH1-OD2 3.16Å; R1093-D1142 PolarHBondContact NH1-OD2 3.03Å; R1093-D1142 VanDerWaalsContact NH2-CG 3.29Å; R1093-D1142 IonicContact NH2-OD1 2.71Å; R1093-D1142 PolarHBondContact NH2-OD1 3.06Å; R1093-D1142 IonicContact NH2-OD2 3.85Å; R1093-D1142 PolarHBondContact NH2-OD2 3.46Å; R1093-T1144 PolarHBondContact NH2-OG1 3.45Å
1094	T	98.1	Very high	96.6	Very high	27 Å²	27	47.2 Å²	47.2	17%	0.166	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.8	177.2	-64.3	0	0	0	0	108.7	K1066 G1086 D1087 W1096 H1097	K1066-T1094 HydrophobicContact CG-CG2 4.47Å; G1086-T1094 PolarHBondContact N-OG1 2.76Å; G1086-T1094 VanDerWaalsContact N-OG1 3.15Å; G1086-T1094 PolarHBondContact O-OG1 2.97Å; D1087-T1094 PolarHBondContact OD1-N 2.81Å; T1094-W1096 WeakPolarHBondContact CG2-O 3.24Å; T1094-H1097 HydrophobicContact CG2-CB 4.22Å
1095	L	98.3	Very high	96.5	Very high	35 Å²	35	48.6 Å²	48.6	18%	0.183	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-40.4	178.7	-56.8	-174.3	0	0	0	111.1	Y1038 I1065 V1067 R1093 I1123 I1140 D1142	Y1038-L1095 HydrophobicContact CD1-CD1 4.08Å; Y1038-L1095 HydrophobicContact CE1-CD1 4.24Å; I1065-L1095 HydrophobicContact CG2-CB 4.33Å; I1065-L1095 HydrophobicContact CG2-CD1 4.26Å; I1065-L1095 PolarHBondContact O-N 3.49Å; V1067-L1095 HydrophobicContact CB-CD1 4.4Å; V1067-L1095 HydrophobicContact CB-CD2 4.33Å; V1067-L1095 HydrophobicContact CB-CG 4.42Å; V1067-L1095 HydrophobicContact CG1-CD2 3.79Å; V1067-L1095 HydrophobicContact CG1-CG 4.33Å; R1093-L1095 HydrophobicContact CG-CD2 4.43Å; R1093-L1095 PolarHBondContact O-N 2.97Å; L1095-I1123 HydrophobicContact CD1-CD1 3.96Å; L1095-I1140 HydrophobicContact CB-CD1 4.47Å; L1095-I1140 HydrophobicContact CB-CG2 4.19Å; L1095-I1140 HydrophobicContact CD1-CG2 4.29Å; L1095-D1142 HydrophobicContact CD1-CB 4.08Å; L1095-D1142 HydrophobicContact CD2-CB 4.43Å; L1095-D1142 VanDerWaalsContact CD2-OD2 3.31Å; L1095-D1142 WeakPolarHBondContact CD2-OD2 3.09Å
1096	W	98.5	Very high	96.4	Very high	46 Å²	46	50.8 Å²	50.8	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	153.1	-178.9	175.6	99.7	0	0	0	110.6	L1063 I1065 T1094 D1098 A1135 I1140	L1063-W1096 HydrophobicContact CB-CH2 4.3Å; L1063-W1096 HydrophobicContact CB-CZ3 3.9Å; L1063-W1096 HydrophobicContact CD2-CH2 4.34Å; L1063-W1096 HydrophobicContact CD2-CZ3 4.02Å; L1063-W1096 HydrophobicContact CG-CZ3 3.98Å; L1063-W1096 VanDerWaalsContact O-CZ3 3.29Å; L1063-W1096 WeakPolarHBondContact O-CZ3 3.48Å; I1065-W1096 HydrophobicContact CB-CB 4.39Å; I1065-W1096 HydrophobicContact CD1-CB 4.31Å; I1065-W1096 HydrophobicContact CD1-CD2 4.17Å; I1065-W1096 HydrophobicContact CD1-CE3 3.63Å; I1065-W1096 HydrophobicContact CD1-CG 4.49Å; I1065-W1096 HydrophobicContact CD1-CZ3 4.27Å; I1065-W1096 HydrophobicContact CG1-CE3 3.85Å; I1065-W1096 HydrophobicContact CG1-CZ3 4.44Å; I1065-W1096 PolarHBondContact N-O 2.88Å; I1065-W1096 PolarHBondContact O-N 3.15Å; I1065-W1096 VanDerWaalsContact O-N 3.16Å; T1094-W1096 WeakPolarHBondContact CG2-O 3.24Å; W1096-D1098 HydrophobicContact CH2-CB 3.81Å; W1096-D1098 HydrophobicContact CZ2-CB 4.35Å; W1096-D1098 HydrophobicContact CZ3-CB 4.38Å; W1096-A1135 HydrophobicContact CH2-CB 4.22Å; W1096-I1140 HydrophobicContact CB-CD1 3.49Å; W1096-I1140 VanDerWaalsContact CB-CD1 3.49Å; W1096-I1140 HydrophobicContact CB-CG1 4.31Å; W1096-I1140 HydrophobicContact CG-CD1 4.14Å
1097	H	97.9	Very high	96.5	Very high	36 Å²	36	55 Å²	55	17%	0.167	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.2	171.1	172.9	77.9	0	0	0	108.8	S1061 L1063 S1064 T1085 T1094 P1099	S1061-H1097 PolarHBondContact O-CE1 3.25Å; S1061-H1097 PolarHBondContact O-NE2 3.06Å; L1063-H1097 CarbonylContact O-C 3.49Å; L1063-H1097 WeakPolarHBondContact O-CA 3.28Å; L1063-H1097 PolarHBondContact O-ND1 3.06Å; S1064-H1097 PolarHBondContact OG-ND1 2.95Å; T1085-H1097 HydrophobicContact CG2-CB 4.12Å; T1094-H1097 HydrophobicContact CG2-CB 4.22Å; H1097-P1099 VanDerWaalsContact O-CD 3.29Å; H1097-P1099 WeakPolarHBondContact O-CD 3.06Å; H1097-P1099 VanDerWaalsContact O-N 3.14Å
1098	D	96.3	Very high	96.4	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.027	28%	0.282	C	S	.	.			trans	-58	114.4	-179.3	168.5	36.8	0	0	0	111.7	L1063 W1096 K1100 N1101 I1102	L1063-D1098 PolarHBondContact O-N 3.01Å; W1096-D1098 HydrophobicContact CH2-CB 3.81Å; W1096-D1098 HydrophobicContact CZ2-CB 4.35Å; W1096-D1098 HydrophobicContact CZ3-CB 4.38Å; D1098-K1100 PolarHBondContact O-N 3.13Å; D1098-K1100 VanDerWaalsContact O-N 3.17Å; D1098-K1100 VanDerWaalsContact OD1-CB 3.29Å; D1098-K1100 WeakPolarHBondContact OD1-CB 3.47Å; D1098-K1100 PolarHBondContact OD1-N 3.36Å; D1098-K1100 WeakPolarHBondContact OD2-CB 3.04Å; D1098-N1101 PolarHBondContact O-N 2.84Å; D1098-N1101 PolarHBondContact O-ND2 2.87Å; D1098-N1101 PolarHBondContact OD2-N 2.95Å; D1098-I1102 PolarHBondContact OD2-N 2.92Å
1099	P	93.1	Very high	96.4	Very high	110 Å²	110	50.8 Å²	50.8	71%	0.714	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.3	178.3	30	-36.1	0	0	0	113.1	H1097 N1101	H1097-P1099 VanDerWaalsContact O-CD 3.29Å; H1097-P1099 WeakPolarHBondContact O-CD 3.06Å; H1097-P1099 VanDerWaalsContact O-N 3.14Å; P1099-N1101 VanDerWaalsContact C-N 3.32Å
1100	K	92.9	Very high	96.5	Very high	114 Å²	114	46 Å²	46	50%	0.496	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.2	172.3	-52.7	176.1	177.6	179.9	0	112	E172 D1098 I1102	E172-K1100 IonicContact OE2-NZ 3.3Å; E172-K1100 PolarHBondContact OE2-NZ 3.31Å; D1098-K1100 PolarHBondContact O-N 3.13Å; D1098-K1100 VanDerWaalsContact O-N 3.17Å; D1098-K1100 VanDerWaalsContact OD1-CB 3.29Å; D1098-K1100 WeakPolarHBondContact OD1-CB 3.47Å; D1098-K1100 PolarHBondContact OD1-N 3.36Å; D1098-K1100 WeakPolarHBondContact OD2-CB 3.04Å; K1100-I1102 VanDerWaalsContact C-N 3.25Å; K1100-I1102 HydrophobicContact CB-CD1 3.61Å; K1100-I1102 HydrophobicContact CB-CG1 3.71Å; K1100-I1102 HydrophobicContact CD-CD1 3.8Å; K1100-I1102 HydrophobicContact CG-CD1 4.34Å; K1100-I1102 PolarHBondContact O-N 3.13Å
1101	N	94.8	Very high	96.6	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.294	23%	0.226	S	C	.	.			trans	56.1	33.1	-178.9	-73.4	-147.5	0	0	0	113.4	Y1060 S1061 D1098 P1099 G1103	Y1060-N1101 WeakPolarHBondContact CD1-OD1 3.45Å; S1061-N1101 CarbonylContact C-O 3.44Å; S1061-N1101 CarbonylContact O-C 3.43Å; S1061-N1101 VanDerWaalsContact O-C 3.25Å; S1061-N1101 WeakPolarHBondContact O-CA 3.43Å; S1061-N1101 WeakPolarHBondContact O-CB 2.98Å; S1061-N1101 PolarHBondContact OG-O 3.26Å; D1098-N1101 PolarHBondContact O-N 2.84Å; D1098-N1101 PolarHBondContact O-ND2 2.87Å; D1098-N1101 PolarHBondContact OD2-N 2.95Å; P1099-N1101 VanDerWaalsContact C-N 3.32Å; N1101-G1103 PolarHBondContact O-N 3.14Å
1102	I	93.8	Very high	96.6	Very high	63 Å²	63	44.9 Å²	44.9	32%	0.323	22%	0.224	S	C	.	.			trans	-79	111.3	-174.4	-64.2	170.6	0	0	0	109.8	W1042 G1062 D1098 K1100 M1134	W1042-I1102 PolarHBondContact NE1-O 3Å; G1062-I1102 VanDerWaalsContact CA-O 3.29Å; G1062-I1102 WeakPolarHBondContact CA-O 3.4Å; D1098-I1102 PolarHBondContact OD2-N 2.92Å; K1100-I1102 VanDerWaalsContact C-N 3.25Å; K1100-I1102 HydrophobicContact CB-CD1 3.61Å; K1100-I1102 HydrophobicContact CB-CG1 3.71Å; K1100-I1102 HydrophobicContact CD-CD1 3.8Å; K1100-I1102 HydrophobicContact CG-CD1 4.34Å; K1100-I1102 PolarHBondContact O-N 3.13Å; I1102-M1134 HydrophobicContact CB-SD 4.08Å; I1102-M1134 HydrophobicContact CD1-SD 4.24Å; I1102-M1134 HydrophobicContact CG2-SD 3.73Å
1103	G	94.9	Very high	96.6	Very high	14 Å²	14	48.2 Å²	48.2	14%	0.144	24%	0.239	C	C	.	.			trans	-68.3	162.4	168.6	0	0	0	0	0	113.1	K1043 Q1044 N1101	K1043-G1103 VanDerWaalsContact O-CA 3.29Å; K1043-G1103 WeakPolarHBondContact O-CA 3.31Å; Q1044-G1103 WeakPolarHBondContact O-CA 3.26Å; N1101-G1103 PolarHBondContact O-N 3.14Å
1104	W	96.9	Very high	96.6	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.023	22%	0.221	C	C	.	.			trans	-65	177	166.6	49	-105.5	0	0	0	110.9	F1014 I1016 D1023 W1042 Q1044 Y1110 Q1157	F1014-W1104 HydrophobicContact CE1-CB 3.94Å; F1014-W1104 AromaticContact CE1-CD1 3.98Å; F1014-W1104 AromaticContact CE1-CG 3.99Å; F1014-W1104 HydrophobicContact CE1-CG 3.99Å; F1014-W1104 HydrophobicContact CZ-CG 4.43Å; I1016-W1104 HydrophobicContact CB-CZ3 4.34Å; I1016-W1104 HydrophobicContact CD1-CD2 3.65Å; I1016-W1104 HydrophobicContact CD1-CE3 3.75Å; I1016-W1104 HydrophobicContact CD1-CG 4.36Å; I1016-W1104 HydrophobicContact CD1-CH2 3.69Å; I1016-W1104 HydrophobicContact CD1-CZ2 3.56Å; I1016-W1104 HydrophobicContact CD1-CZ3 3.76Å; I1016-W1104 HydrophobicContact CG2-CH2 4.28Å; I1016-W1104 HydrophobicContact CG2-CZ3 4.05Å; D1023-W1104 WeakPolarHBondContact O-CZ2 3.14Å; D1023-W1104 PolarHBondContact O-NE1 2.78Å; W1042-W1104 HydrophobicContact CD2-CB 3.92Å; W1042-W1104 AromaticContact CD2-CD1 3.89Å; W1042-W1104 HydrophobicContact CD2-CG 4.34Å; W1042-W1104 VanDerWaalsContact CE2-N 3.32Å; W1042-W1104 HydrophobicContact CE3-CB 3.94Å; W1042-W1104 AromaticContact CG-CD1 3.78Å; W1042-W1104 HydrophobicContact CH2-CB 3.81Å; W1042-W1104 VanDerWaalsContact CZ2-CA 3.47Å; W1042-W1104 HydrophobicContact CZ2-CB 3.78Å; W1042-W1104 HydrophobicContact CZ3-CB 3.89Å; W1042-W1104 PolarHBondContact O-NE1 3.12Å; Q1044-W1104 HydrophobicContact CB-CD2 3.77Å; Q1044-W1104 HydrophobicContact CB-CE3 3.95Å; Q1044-W1104 HydrophobicContact CB-CG 4.46Å; Q1044-W1104 HydrophobicContact CB-CH2 3.85Å; Q1044-W1104 HydrophobicContact CB-CZ2 3.68Å; Q1044-W1104 HydrophobicContact CB-CZ3 4.01Å; Q1044-W1104 HydrophobicContact CG-CD2 4.4Å; Q1044-W1104 HydrophobicContact CG-CE3 4.22Å; Q1044-W1104 HydrophobicContact CG-CZ3 4.33Å; Q1044-W1104 WeakPolarHBondContact CG-O 3.5Å; W1104-Y1110 HydrophobicContact CB-CE2 4.09Å; W1104-Q1157 HydrophobicContact CZ2-CG 4.4Å; W1104-Q1157 VanDerWaalsContact CZ2-OE1 3.29Å
1105	K	96.8	Very high	96.6	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	22%	0.221	S	C	.	.			trans	-132.9	143.7	179.2	-61.4	163.1	-165.9	157.7	0	109.6	T1108 Y1110 E1129	K1105-T1108 HydrophobicContact CB-CG2 4.47Å; K1105-T1108 WeakPolarHBondContact CB-OG1 3.36Å; K1105-T1108 HydrophobicContact CD-CG2 4.46Å; K1105-T1108 WeakPolarHBondContact O-CB 3.46Å; K1105-T1108 PolarHBondContact O-N 3.47Å; K1105-Y1110 WeakPolarHBondContact CB-OH 3.4Å; K1105-Y1110 WeakPolarHBondContact CD-OH 3.33Å; K1105-Y1110 WeakPolarHBondContact CG-OH 3.39Å; K1105-Y1110 PolarHBondContact N-OH 2.84Å; K1105-E1129 IonicContact NZ-OE1 3.94Å; K1105-E1129 PolarHBondContact NZ-OE1 2.79Å; K1105-E1129 IonicContact NZ-OE2 2.7Å; K1105-E1129 PolarHBondContact NZ-OE2 2.95Å
1106	D	96.5	Very high	96.5	Very high	67 Å²	67	42 Å²	42	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	138.7	169.8	-24.7	-34.3	0	0	0	110.5	Q1044 T1108	Q1044-D1106 PolarHBondContact NE2-OD1 3.33Å; D1106-T1108 PolarHBondContact O-N 3.12Å; D1106-T1108 PolarHBondContact O-OG1 2.92Å
1107	F	96.2	Very high	96.5	Very high	110 Å²	110	41.3 Å²	41.3	48%	0.482	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.5	174.6	-46.6	-80.6	0	0	0	114.4	F1015 I1016 N1017 D1019	F1015-F1107 VanDerWaalsContact CE2-C 3.41Å; F1015-F1107 HydrophobicContact CZ-CB 4.11Å; F1015-F1107 HydrophobicContact CZ-CD1 4.49Å; I1016-F1107 PolarHBondContact O-N 2.04Å; N1017-F1107 WeakPolarHBondContact OD1-CD1 3.08Å; N1017-F1107 WeakPolarHBondContact OD1-CE1 3.5Å; D1019-F1107 HydrophobicContact CB-CE2 4.14Å
1108	T	96.4	Very high	96.3	Very high	35 Å²	35	39.8 Å²	39.8	22%	0.215	20%	0.203	C	C	.	.			trans	-126.6	127.2	-177.8	-57.1	0	0	0	0	110.2	K1105 D1106 Y1110 E1129	K1105-T1108 HydrophobicContact CB-CG2 4.47Å; K1105-T1108 WeakPolarHBondContact CB-OG1 3.36Å; K1105-T1108 HydrophobicContact CD-CG2 4.46Å; K1105-T1108 WeakPolarHBondContact O-CB 3.46Å; K1105-T1108 PolarHBondContact O-N 3.47Å; D1106-T1108 PolarHBondContact O-N 3.12Å; D1106-T1108 PolarHBondContact O-OG1 2.92Å; T1108-Y1110 HydrophobicContact CG2-CD2 4.42Å; T1108-Y1110 HydrophobicContact CG2-CE1 4.16Å; T1108-Y1110 HydrophobicContact CG2-CE2 3.68Å; T1108-Y1110 WeakPolarHBondContact O-CD2 3.46Å; T1108-Y1110 VanDerWaalsContact O-CE2 3.29Å; T1108-Y1110 WeakPolarHBondContact O-CE2 3.1Å; T1108-E1129 HydrophobicContact CG2-CG 4.35Å
1109	A	97	Very high	96.1	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	23%	0.228	C	C	.	.			trans	-82.7	137.1	178.5	0	0	0	0	0	113.1	D696 L697 F1015	D696-A1109 HydrophobicContact CB-CB 4.4Å; D696-A1109 WeakPolarHBondContact O-CB 3.3Å; L697-A1109 HydrophobicContact CB-CB 4.48Å; L697-A1109 HydrophobicContact CD1-CB 3.94Å; L697-A1109 HydrophobicContact CG-CB 3.96Å; F1015-A1109 HydrophobicContact CD2-CB 4.06Å
1110	Y	97.6	Very high	96.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.7	174.3	-57.6	-86.2	0	0	0	110.8	T1013 F1014 W1042 W1104 K1105 T1108 Y1128 E1129	T1013-Y1110 CarbonylContact C-O 3.55Å; T1013-Y1110 WeakPolarHBondContact CA-O 3.4Å; F1014-Y1110 HydrophobicContact CD1-CD2 4.1Å; F1014-Y1110 PolarHBondContact N-O 2.7Å; F1014-Y1110 PolarHBondContact O-N 3.23Å; W1042-Y1110 AromaticContact CH2-CD1 3.55Å; W1042-Y1110 HydrophobicContact CH2-CD1 3.55Å; W1042-Y1110 AromaticContact CH2-CD2 3.88Å; W1042-Y1110 HydrophobicContact CH2-CD2 3.88Å; W1042-Y1110 AromaticContact CH2-CE1 3.56Å; W1042-Y1110 HydrophobicContact CH2-CE1 3.56Å; W1042-Y1110 AromaticContact CH2-CE2 3.89Å; W1042-Y1110 HydrophobicContact CH2-CE2 3.89Å; W1042-Y1110 AromaticContact CH2-CG 3.7Å; W1042-Y1110 HydrophobicContact CH2-CG 3.7Å; W1042-Y1110 AromaticContact CH2-CZ 3.71Å; W1042-Y1110 HydrophobicContact CZ2-CE1 4.48Å; W1042-Y1110 AromaticContact CZ3-CD1 3.96Å; W1042-Y1110 HydrophobicContact CZ3-CD1 3.96Å; W1042-Y1110 AromaticContact CZ3-CD2 3.76Å; W1042-Y1110 HydrophobicContact CZ3-CD2 3.76Å; W1042-Y1110 HydrophobicContact CZ3-CE1 4.35Å; W1042-Y1110 HydrophobicContact CZ3-CE2 4.15Å; W1042-Y1110 AromaticContact CZ3-CG 3.63Å; W1042-Y1110 HydrophobicContact CZ3-CG 3.63Å; W1104-Y1110 HydrophobicContact CB-CE2 4.09Å; K1105-Y1110 WeakPolarHBondContact CB-OH 3.4Å; K1105-Y1110 WeakPolarHBondContact CD-OH 3.33Å; K1105-Y1110 WeakPolarHBondContact CG-OH 3.39Å; K1105-Y1110 PolarHBondContact N-OH 2.84Å; T1108-Y1110 HydrophobicContact CG2-CD2 4.42Å; T1108-Y1110 HydrophobicContact CG2-CE1 4.16Å; T1108-Y1110 HydrophobicContact CG2-CE2 3.68Å; T1108-Y1110 WeakPolarHBondContact O-CD2 3.46Å; T1108-Y1110 VanDerWaalsContact O-CE2 3.29Å; T1108-Y1110 WeakPolarHBondContact O-CE2 3.1Å; Y1110-Y1128 CarbonylContact C-O 3.55Å; Y1110-Y1128 WeakPolarHBondContact CA-O 3.48Å; Y1110-Y1128 WeakPolarHBondContact CB-O 3.02Å; Y1110-Y1128 WeakPolarHBondContact CD1-O 3.11Å; Y1110-E1129 HydrophobicContact CD1-CB 3.84Å; Y1110-E1129 HydrophobicContact CD1-CG 4.13Å; Y1110-E1129 HydrophobicContact CE1-CB 3.7Å; Y1110-E1129 HydrophobicContact CE1-CG 3.63Å
1111	R	97.8	Very high	96.2	Very high	20 Å²	20	38.9 Å²	38.9	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.7	173.1	-170.7	77.5	-170.9	-169.6	-0.7	109.5	P682 L697 S1011 G1012 T1013 M1127 Y1128 D1164	P682-R1111 HydrophobicContact CB-CB 4.24Å; P682-R1111 HydrophobicContact CB-CG 4.42Å; P682-R1111 HydrophobicContact CG-CG 4.28Å; L697-R1111 HydrophobicContact CD1-CB 4Å; L697-R1111 PolarHBondContact O-NH1 2.7Å; S1011-R1111 PolarHBondContact OG-NH2 2.73Å; G1012-R1111 WeakPolarHBondContact O-CA 3.07Å; G1012-R1111 VanDerWaalsContact O-CD 3.27Å; G1012-R1111 WeakPolarHBondContact O-CD 3.07Å; T1013-R1111 WeakPolarHBondContact OG1-CD 3.42Å; T1013-R1111 PolarHBondContact OG1-NH1 3.05Å; R1111-M1127 WeakPolarHBondContact O-CA 3.33Å; R1111-Y1128 HydrophobicContact CB-CD2 4.42Å; R1111-Y1128 PolarHBondContact N-O 3.38Å; R1111-Y1128 WeakPolarHBondContact O-CD2 3.44Å; R1111-Y1128 PolarHBondContact O-N 2.77Å; R1111-D1164 IonicContact CZ-OD2 2.71Å; R1111-D1164 VanDerWaalsContact CZ-OD2 3.32Å; R1111-D1164 PolarHBondContact NH1-O 3.26Å; R1111-D1164 VanDerWaalsContact NH1-O 3.14Å; R1111-D1164 IonicContact NH1-OD2 3.6Å; R1111-D1164 PolarHBondContact NH1-OD2 3.11Å; R1111-D1164 PolarHBondContact NH2-O 3.43Å; R1111-D1164 IonicContact NH2-OD2 3.57Å; R1111-D1164 PolarHBondContact NH2-OD2 3.2Å; R1111-D1164 VanDerWaalsContact NH2-OD2 3.16Å
1112	W	98.1	Very high	96.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	153.4	166.7	75.7	82.4	0	0	0	111.5	F1010 S1011 G1012 F1014 F1027 V1126 M1127 L1152 F1162 L1165	F1010-W1112 AromaticContact CD1-NE1 3.77Å; F1010-W1112 HydrophobicContact CE1-CZ2 4.02Å; F1010-W1112 AromaticContact CE1-NE1 3.76Å; F1010-W1112 AromaticContact CZ-CZ2 3.87Å; F1010-W1112 HydrophobicContact CZ-CZ2 3.87Å; S1011-W1112 VanDerWaalsContact CA-O 3.28Å; S1011-W1112 WeakPolarHBondContact CA-O 3.07Å; S1011-W1112 WeakPolarHBondContact CB-O 3.1Å; G1012-W1112 VanDerWaalsContact C-CE3 3.44Å; G1012-W1112 VanDerWaalsContact C-CZ3 3.5Å; G1012-W1112 PolarHBondContact N-O 3.1Å; G1012-W1112 VanDerWaalsContact O-CD2 3.28Å; G1012-W1112 PolarHBondContact O-N 3.36Å; F1014-W1112 HydrophobicContact CB-CE3 3.92Å; F1014-W1112 HydrophobicContact CB-CZ3 3.9Å; F1027-W1112 AromaticContact CD1-CD1 3.91Å; F1027-W1112 AromaticContact CD1-CD2 3.78Å; F1027-W1112 HydrophobicContact CD1-CD2 3.78Å; F1027-W1112 AromaticContact CD1-CE2 3.69Å; F1027-W1112 HydrophobicContact CD1-CE3 4.39Å; F1027-W1112 AromaticContact CD1-CG 3.93Å; F1027-W1112 HydrophobicContact CD1-CG 3.93Å; F1027-W1112 HydrophobicContact CD1-CZ2 4.23Å; F1027-W1112 AromaticContact CD1-NE1 3.76Å; F1027-W1112 HydrophobicContact CE1-CB 3.8Å; F1027-W1112 AromaticContact CE1-CD1 3.31Å; F1027-W1112 AromaticContact CE1-CD2 3.73Å; F1027-W1112 HydrophobicContact CE1-CD2 3.73Å; F1027-W1112 AromaticContact CE1-CE2 3.92Å; F1027-W1112 AromaticContact CE1-CG 3.34Å; F1027-W1112 HydrophobicContact CE1-CG 3.34Å; F1027-W1112 AromaticContact CE1-NE1 3.66Å; F1027-W1112 HydrophobicContact CZ-CB 4.4Å; F1027-W1112 AromaticContact CZ-CD1 3.51Å; F1027-W1112 AromaticContact CZ-CG 3.97Å; F1027-W1112 HydrophobicContact CZ-CG 3.97Å; F1027-W1112 AromaticContact CZ-NE1 3.94Å; W1112-V1126 CarbonylContact C-O 3.25Å; W1112-V1126 WeakPolarHBondContact CA-O 3.36Å; W1112-M1127 HydrophobicContact CB-CE 3.83Å; W1112-M1127 HydrophobicContact CB-SD 4.04Å; W1112-L1152 HydrophobicContact CH2-CD2 4.25Å; W1112-L1152 HydrophobicContact CZ2-CD2 4.34Å; W1112-F1162 HydrophobicContact CH2-CB 4.32Å; W1112-F1162 AromaticContact CH2-CD1 3.83Å; W1112-F1162 HydrophobicContact CH2-CD1 3.83Å; W1112-F1162 HydrophobicContact CZ3-CD1 4.02Å; W1112-L1165 HydrophobicContact CH2-CD2 3.63Å; W1112-L1165 HydrophobicContact CZ2-CD2 3.66Å
1113	H	97.7	Very high	96.6	Very high	74 Å²	74	34.7 Å²	34.7	34%	0.343	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	109	166.6	-171.3	-52.5	0	0	0	108.6	V1125 V1126	H1113-V1125 WeakPolarHBondContact O-CA 3.44Å; H1113-V1126 PolarHBondContact N-O 2.8Å; H1113-V1126 PolarHBondContact O-N 3.02Å
1114	L	98.4	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142	166.6	175	70.6	0	0	0	109.3	D1009 F1010 F1027 F1029 H1116 I1123 R1124 V1125	D1009-L1114 WeakPolarHBondContact CA-O 3.35Å; F1010-L1114 HydrophobicContact CB-CB 4.27Å; F1010-L1114 HydrophobicContact CB-CD2 4.2Å; F1010-L1114 PolarHBondContact N-O 3.49Å; F1010-L1114 VanDerWaalsContact N-O 3.09Å; F1010-L1114 WeakPolarHBondContact O-CB 3.49Å; F1010-L1114 PolarHBondContact O-N 3.23Å; F1027-L1114 HydrophobicContact CE2-CB 4.05Å; F1027-L1114 HydrophobicContact CE2-CD2 4.23Å; F1027-L1114 HydrophobicContact CZ-CB 4.25Å; F1029-L1114 HydrophobicContact CB-CD2 3.48Å; F1029-L1114 VanDerWaalsContact CB-CD2 3.48Å; F1029-L1114 HydrophobicContact CD1-CD1 3.98Å; F1029-L1114 HydrophobicContact CD1-CD2 3.7Å; F1029-L1114 HydrophobicContact CD1-CG 4.5Å; F1029-L1114 HydrophobicContact CD2-CD1 4.28Å; F1029-L1114 HydrophobicContact CD2-CD2 3.79Å; F1029-L1114 HydrophobicContact CE1-CD1 3.78Å; F1029-L1114 HydrophobicContact CE1-CD2 4.35Å; F1029-L1114 HydrophobicContact CE2-CD1 4.08Å; F1029-L1114 HydrophobicContact CE2-CD2 4.42Å; F1029-L1114 HydrophobicContact CG-CD1 4.23Å; F1029-L1114 HydrophobicContact CG-CD2 3.37Å; F1029-L1114 HydrophobicContact CG-CG 4.45Å; F1029-L1114 HydrophobicContact CZ-CD1 3.82Å; L1114-H1116 HydrophobicContact CD2-CB 4.32Å; L1114-H1116 HydrophobicContact CG-CB 4.38Å; L1114-I1123 HydrophobicContact CD1-CG2 4.34Å; L1114-R1124 CarbonylContact C-O 3.59Å; L1114-R1124 WeakPolarHBondContact CA-O 3.17Å; L1114-V1125 HydrophobicContact CD1-CG2 3.86Å
1115	T	97.9	Very high	96.8	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.172	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.2	161	-75.4	0	0	0	0	108.6	D1009 L1122 I1123 R1124	D1009-T1115 WeakPolarHBondContact OD1-CA 3.49Å; D1009-T1115 WeakPolarHBondContact OD1-CB 3.34Å; D1009-T1115 WeakPolarHBondContact OD1-CG2 3.25Å; D1009-T1115 PolarHBondContact OD1-OG1 2.9Å; T1115-L1122 HydrophobicContact CG2-CD2 4.39Å; T1115-I1123 CarbonylContact O-C 3.59Å; T1115-I1123 WeakPolarHBondContact O-CA 3.35Å; T1115-R1124 PolarHBondContact N-O 2.92Å; T1115-R1124 PolarHBondContact O-N 3.05Å
1116	H	97.9	Very high	96.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.9	-179.4	-167	-152.6	0	0	0	110.2	V1008 F1029 Y1038 L1114 L1122	V1008-H1116 HydrophobicContact CG1-CB 4.08Å; V1008-H1116 PolarHBondContact N-O 3.16Å; V1008-H1116 VanDerWaalsContact N-O 3.07Å; V1008-H1116 PolarHBondContact O-N 2.52Å; V1008-H1116 VanDerWaalsContact O-O 3.12Å; F1029-H1116 HydrophobicContact CD2-CB 4.38Å; F1029-H1116 AromaticContact CD2-CE1 3.73Å; F1029-H1116 AromaticContact CD2-CG 3.87Å; F1029-H1116 AromaticContact CD2-ND1 3.56Å; F1029-H1116 AromaticContact CE2-CD2 3.84Å; F1029-H1116 AromaticContact CE2-CE1 3.87Å; F1029-H1116 AromaticContact CE2-CG 3.92Å; F1029-H1116 AromaticContact CE2-ND1 3.95Å; F1029-H1116 AromaticContact CE2-NE2 3.82Å; Y1038-H1116 AromaticContact CE2-CE1 3.73Å; Y1038-H1116 AromaticContact CE2-NE2 3.61Å; L1114-H1116 HydrophobicContact CD2-CB 4.32Å; L1114-H1116 HydrophobicContact CG-CB 4.38Å; H1116-L1122 WeakPolarHBondContact CA-O 3.48Å
1117	R	97.1	Very high	96.8	Very high	32 Å²	32	31.4 Å²	31.4	12%	0.121	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	75.4	175.6	-54.7	-69.3	-176.3	-84.3	-2.7	110.2	V1008 D1009 K1119 T1120 G1121 L1122 R1170 T1172	V1008-R1117 PolarHBondContact O-NH1 2.84Å; V1008-R1117 VanDerWaalsContact O-NH1 3.11Å; D1009-R1117 VanDerWaalsContact CG-NH2 3.28Å; D1009-R1117 IonicContact OD1-CZ 3.16Å; D1009-R1117 IonicContact OD1-NH1 2.84Å; D1009-R1117 PolarHBondContact OD1-NH1 3.49Å; D1009-R1117 IonicContact OD1-NH2 3.01Å; D1009-R1117 PolarHBondContact OD1-NH2 3.43Å; D1009-R1117 VanDerWaalsContact OD1-NH2 3.12Å; D1009-R1117 IonicContact OD2-CZ 2.83Å; D1009-R1117 IonicContact OD2-NH1 2.83Å; D1009-R1117 IonicContact OD2-NH2 3.33Å; D1009-R1117 PolarHBondContact OD2-NH2 2.94Å; R1117-K1119 VanDerWaalsContact C-N 3.26Å; R1117-K1119 PolarHBondContact O-N 3.09Å; R1117-K1119 VanDerWaalsContact O-N 3.15Å; R1117-T1120 CarbonylContact O-C 3.58Å; R1117-T1120 PolarHBondContact O-N 2.71Å; R1117-T1120 PolarHBondContact O-OG1 3.5Å; R1117-G1121 PolarHBondContact O-N 2.81Å; R1117-L1122 HydrophobicContact CB-CB 4.24Å; R1117-L1122 HydrophobicContact CG-CD2 4.49Å; R1117-L1122 PolarHBondContact N-O 3.01Å; R1117-L1122 PolarHBondContact O-N 2.03Å; R1117-R1170 WeakPolarHBondContact CD-O 3.46Å; R1117-R1170 VanDerWaalsContact CZ-CB 3.48Å; R1117-R1170 PolarHBondContact NE-O 2.86Å; R1117-T1172 PolarHBondContact NE-O 3.15Å
1118	P	95.4	Very high	96.8	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.019	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.1	-171.6	-23	29.7	0	0	0	115.1	S1006 T1120 G1121 K1143 A1146	S1006-P1118 WeakPolarHBondContact O-CD 3.27Å; S1006-P1118 VanDerWaalsContact O-CG 3.28Å; S1006-P1118 WeakPolarHBondContact O-CG 3.47Å; P1118-T1120 PolarHBondContact O-N 3.24Å; P1118-T1120 VanDerWaalsContact O-N 3.1Å; P1118-G1121 PolarHBondContact O-N 2.97Å; P1118-K1143 PolarHBondContact O-NZ 3.26Å; P1118-A1146 WeakPolarHBondContact CB-O 3.13Å; P1118-A1146 WeakPolarHBondContact CG-O 3.46Å
1119	K	91.9	Very high	96.7	Very high	125 Å²	125	29.8 Å²	29.8	54%	0.543	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-38	171.1	-71.4	172.1	178.8	167.6	0	112	R1117 K1143 D1171	R1117-K1119 VanDerWaalsContact C-N 3.26Å; R1117-K1119 PolarHBondContact O-N 3.09Å; R1117-K1119 VanDerWaalsContact O-N 3.15Å; K1119-K1143 PolarHBondContact O-NZ 2.64Å; K1119-D1171 WeakPolarHBondContact CD-OD1 3.48Å; K1119-D1171 WeakPolarHBondContact CE-OD1 3.06Å; K1119-D1171 IonicContact NZ-OD1 2.87Å; K1119-D1171 PolarHBondContact NZ-OD1 3.04Å
1120	T	93.5	Very high	96.3	Very high	85 Å²	85	30.3 Å²	30.3	52%	0.521	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-22.3	169.8	68.6	0	0	0	0	114.5	R1117 P1118 L1122 K1143	R1117-T1120 CarbonylContact O-C 3.58Å; R1117-T1120 PolarHBondContact O-N 2.71Å; R1117-T1120 PolarHBondContact O-OG1 3.5Å; P1118-T1120 PolarHBondContact O-N 3.24Å; P1118-T1120 VanDerWaalsContact O-N 3.1Å; T1120-L1122 WeakPolarHBondContact OG1-CB 3.47Å; T1120-L1122 PolarHBondContact OG1-N 2.6Å; T1120-K1143 WeakPolarHBondContact O-CE 3.15Å
1121	G	93.8	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	8.3	-171	0	0	0	0	0	114.3	R1117 P1118 I1123 Y1141 D1142	R1117-G1121 PolarHBondContact O-N 2.81Å; P1118-G1121 PolarHBondContact O-N 2.97Å; G1121-I1123 PolarHBondContact O-N 2.84Å; G1121-Y1141 CarbonylContact O-C 3.59Å; G1121-Y1141 VanDerWaalsContact O-CA 3.27Å; G1121-Y1141 WeakPolarHBondContact O-CA 3.23Å; G1121-D1142 CarbonylContact C-O 3.57Å; G1121-D1142 WeakPolarHBondContact CA-O 3.36Å; G1121-D1142 PolarHBondContact O-N 3.26Å
1122	L	97.4	Very high	95.4	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.6	179.7	174.3	63.6	0	0	0	110.7	T1115 H1116 R1117 T1120 N1139 Y1141	T1115-L1122 HydrophobicContact CG2-CD2 4.39Å; H1116-L1122 WeakPolarHBondContact CA-O 3.48Å; R1117-L1122 HydrophobicContact CB-CB 4.24Å; R1117-L1122 HydrophobicContact CG-CD2 4.49Å; R1117-L1122 PolarHBondContact N-O 3.01Å; R1117-L1122 PolarHBondContact O-N 2.03Å; T1120-L1122 WeakPolarHBondContact OG1-CB 3.47Å; T1120-L1122 PolarHBondContact OG1-N 2.6Å; L1122-N1139 HydrophobicContact CD1-CB 3.55Å; L1122-Y1141 HydrophobicContact CB-CD1 4.47Å; L1122-Y1141 HydrophobicContact CB-CE1 4.11Å; L1122-Y1141 HydrophobicContact CD1-CE1 4.11Å
1123	I	98.5	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.6	166.1	-65.2	165	0	0	0	107.4	F1029 Y1038 I1065 L1095 L1114 T1115 G1121 I1140 D1142	F1029-I1123 HydrophobicContact CE2-CD1 4.08Å; F1029-I1123 HydrophobicContact CE2-CG1 4.08Å; F1029-I1123 HydrophobicContact CE2-CG2 4.42Å; F1029-I1123 HydrophobicContact CZ-CD1 4.1Å; F1029-I1123 HydrophobicContact CZ-CG1 4.25Å; F1029-I1123 HydrophobicContact CZ-CG2 3.85Å; Y1038-I1123 HydrophobicContact CD1-CD1 4.02Å; Y1038-I1123 HydrophobicContact CE1-CD1 3.82Å; Y1038-I1123 HydrophobicContact CG-CD1 4.49Å; I1065-I1123 HydrophobicContact CG2-CG2 4.47Å; L1095-I1123 HydrophobicContact CD1-CD1 3.96Å; L1114-I1123 HydrophobicContact CD1-CG2 4.34Å; T1115-I1123 CarbonylContact O-C 3.59Å; T1115-I1123 WeakPolarHBondContact O-CA 3.35Å; G1121-I1123 PolarHBondContact O-N 2.84Å; I1123-I1140 HydrophobicContact CB-CB 4.11Å; I1123-I1140 HydrophobicContact CB-CG2 4.38Å; I1123-I1140 PolarHBondContact N-O 2.04Å; I1123-I1140 WeakPolarHBondContact O-CA 3.39Å; I1123-I1140 WeakPolarHBondContact O-CB 3.31Å; I1123-I1140 PolarHBondContact O-N 2.85Å; I1123-D1142 HydrophobicContact CD1-CB 3.98Å
1124	R	98.1	Very high	94.8	Very high	88 Å²	88	39.2 Å²	39.2	33%	0.332	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139	165.6	-178.8	174.1	-179.8	-152.9	3.9	109.8	L1114 T1115 V1126 D1136 S1137	L1114-R1124 CarbonylContact C-O 3.59Å; L1114-R1124 WeakPolarHBondContact CA-O 3.17Å; T1115-R1124 PolarHBondContact N-O 2.92Å; T1115-R1124 PolarHBondContact O-N 3.05Å; R1124-V1126 HydrophobicContact CG-CG2 4.28Å; R1124-D1136 IonicContact CZ-OD1 2.74Å; R1124-D1136 IonicContact CZ-OD2 3.36Å; R1124-D1136 IonicContact NE-OD1 3.51Å; R1124-D1136 PolarHBondContact NE-OD1 2.79Å; R1124-D1136 IonicContact NE-OD2 2.72Å; R1124-D1136 IonicContact NH2-OD1 2.79Å; R1124-D1136 IonicContact NH2-OD2 3.19Å; R1124-D1136 PolarHBondContact NH2-OD2 3.47Å; R1124-S1137 WeakPolarHBondContact CA-OG 3.48Å
1125	V	98.3	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.3	172.7	-175.4	0	0	0	0	108.7	F1027 V1040 L1063 I1065 H1113 L1114 S1137	F1027-V1125 HydrophobicContact CZ-CG1 4.34Å; V1040-V1125 HydrophobicContact CG1-CG1 4.22Å; V1040-V1125 HydrophobicContact CG2-CG2 3.86Å; L1063-V1125 HydrophobicContact CD2-CG1 4.23Å; I1065-V1125 HydrophobicContact CD1-CB 3.81Å; I1065-V1125 HydrophobicContact CD1-CG2 3.6Å; I1065-V1125 HydrophobicContact CG1-CG2 4.09Å; H1113-V1125 WeakPolarHBondContact O-CA 3.44Å; L1114-V1125 HydrophobicContact CD1-CG2 3.86Å; V1125-S1137 PolarHBondContact N-OG 3.31Å; V1125-S1137 PolarHBondContact O-N 2.96Å; V1125-S1137 PolarHBondContact O-OG 3.02Å
1126	V	97.1	Very high	94.4	Very high	9 Å²	9	41 Å²	41	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.9	171.7	-169	0	0	0	0	108.4	W1112 H1113 R1124 Y1128 I1133 D1136	W1112-V1126 CarbonylContact C-O 3.25Å; W1112-V1126 WeakPolarHBondContact CA-O 3.36Å; H1113-V1126 PolarHBondContact N-O 2.8Å; H1113-V1126 PolarHBondContact O-N 3.02Å; R1124-V1126 HydrophobicContact CG-CG2 4.28Å; V1126-Y1128 HydrophobicContact CB-CE2 4.04Å; V1126-Y1128 HydrophobicContact CG1-CD2 4.18Å; V1126-Y1128 HydrophobicContact CG1-CE2 3.54Å; V1126-I1133 HydrophobicContact CG1-CB 4.5Å; V1126-I1133 HydrophobicContact CG1-CD1 4.07Å; V1126-I1133 HydrophobicContact CG1-CG1 3.93Å; V1126-I1133 HydrophobicContact CG1-CG2 3.88Å; V1126-D1136 HydrophobicContact CG1-CB 4.48Å
1127	M	96.6	Very high	94.3	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.2	178.7	-173.5	66.6	78.3	0	0	109.7	W1042 L1063 R1111 W1112 M1134 A1135	W1042-M1127 HydrophobicContact CE3-CE 3.99Å; W1042-M1127 HydrophobicContact CH2-CG 4.29Å; W1042-M1127 HydrophobicContact CZ3-CE 4.11Å; W1042-M1127 HydrophobicContact CZ3-CG 4.07Å; W1042-M1127 HydrophobicContact CZ3-SD 4.08Å; L1063-M1127 HydrophobicContact CD1-CE 3.85Å; L1063-M1127 HydrophobicContact CD2-CB 3.99Å; L1063-M1127 HydrophobicContact CD2-CE 4.34Å; R1111-M1127 WeakPolarHBondContact O-CA 3.33Å; W1112-M1127 HydrophobicContact CB-CE 3.83Å; W1112-M1127 HydrophobicContact CB-SD 4.04Å; M1127-M1134 HydrophobicContact CB-CE 4.45Å; M1127-M1134 HydrophobicContact CG-CE 3.93Å; M1127-M1134 PolarHBondContact O-N 3.31Å; M1127-A1135 HydrophobicContact CB-CB 4.33Å; M1127-A1135 PolarHBondContact N-O 3.04Å; M1127-A1135 PolarHBondContact O-N 3.03Å
1128	Y	95.5	Very high	94.2	Very high	48 Å²	48	41.4 Å²	41.4	19%	0.188	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.1	-179.1	-61	-103.4	0	0	0	110.3	P682 Y1110 R1111 V1126 R1132 I1133	P682-Y1128 HydrophobicContact CB-CD1 4.09Å; P682-Y1128 HydrophobicContact CB-CD2 4.42Å; P682-Y1128 HydrophobicContact CB-CG 4.03Å; P682-Y1128 HydrophobicContact CG-CD1 4.21Å; P682-Y1128 HydrophobicContact CG-CD2 4.12Å; P682-Y1128 HydrophobicContact CG-CE1 4.22Å; P682-Y1128 HydrophobicContact CG-CE2 4.16Å; P682-Y1128 HydrophobicContact CG-CG 4.17Å; Y1110-Y1128 CarbonylContact C-O 3.55Å; Y1110-Y1128 WeakPolarHBondContact CA-O 3.48Å; Y1110-Y1128 WeakPolarHBondContact CB-O 3.02Å; Y1110-Y1128 WeakPolarHBondContact CD1-O 3.11Å; R1111-Y1128 HydrophobicContact CB-CD2 4.42Å; R1111-Y1128 PolarHBondContact N-O 3.38Å; R1111-Y1128 WeakPolarHBondContact O-CD2 3.44Å; R1111-Y1128 PolarHBondContact O-N 2.77Å; V1126-Y1128 HydrophobicContact CB-CE2 4.04Å; V1126-Y1128 HydrophobicContact CG1-CD2 4.18Å; V1126-Y1128 HydrophobicContact CG1-CE2 3.54Å; Y1128-R1132 CarbonylContact C-O 3.44Å; Y1128-R1132 VanDerWaalsContact CA-O 3.31Å; Y1128-R1132 WeakPolarHBondContact CA-O 3.1Å; Y1128-I1133 HydrophobicContact CD1-CG1 3.77Å; Y1128-I1133 HydrophobicContact CE1-CD1 4.12Å; Y1128-I1133 HydrophobicContact CE1-CG1 3.37Å
1129	E	94.3	Very high	94.3	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.2	161.6	-176.8	176.9	146.2	0	0	107.4	K1105 T1108 Y1110 K1131 R1132 M1134	K1105-E1129 IonicContact NZ-OE1 3.94Å; K1105-E1129 PolarHBondContact NZ-OE1 2.79Å; K1105-E1129 IonicContact NZ-OE2 2.7Å; K1105-E1129 PolarHBondContact NZ-OE2 2.95Å; T1108-E1129 HydrophobicContact CG2-CG 4.35Å; Y1110-E1129 HydrophobicContact CD1-CB 3.84Å; Y1110-E1129 HydrophobicContact CD1-CG 4.13Å; Y1110-E1129 HydrophobicContact CE1-CB 3.7Å; Y1110-E1129 HydrophobicContact CE1-CG 3.63Å; E1129-K1131 PolarHBondContact O-N 2.72Å; E1129-R1132 PolarHBondContact N-O 3.31Å; E1129-R1132 PolarHBondContact O-N 3.13Å; E1129-M1134 HydrophobicContact CB-CB 4.06Å; E1129-M1134 HydrophobicContact CB-CG 4.35Å
1130	G	89.1	Confident	94.5	Very high	21 Å²	21	40.7 Å²	40.7	22%	0.216	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-110.1	-164.5	0	0	0	0	0	111.5
1131	K	89.1	Confident	94.7	Very high	73 Å²	73	43.6 Å²	43.6	32%	0.317	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.8	-178.7	-61.3	164.1	-171.3	163.3	0	114.7	P682 G683 Y684 E693 E1129	P682-K1131 WeakPolarHBondContact O-CA 3.3Å; P682-K1131 WeakPolarHBondContact O-CG 3.06Å; G683-K1131 WeakPolarHBondContact O-CE 3.26Å; Y684-K1131 HydrophobicContact CD2-CG 4.44Å; Y684-K1131 HydrophobicContact CE2-CD 3.66Å; Y684-K1131 HydrophobicContact CE2-CG 3.94Å; Y684-K1131 VanDerWaalsContact CZ-CE 3.48Å; E693-K1131 IonicContact OE1-NZ 3.15Å; E693-K1131 PolarHBondContact OE1-NZ 3.37Å; E693-K1131 IonicContact OE2-NZ 3.33Å; E693-K1131 PolarHBondContact OE2-NZ 2.83Å; E1129-K1131 PolarHBondContact O-N 2.72Å
1132	R	87.9	Confident	94.9	Very high	116 Å²	116	44.4 Å²	44.4	44%	0.438	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.6	-168.6	-69.4	174.3	68.9	-132.4	0.9	110.3	E172 I173 Y1128 E1129 M1134	E172-R1132 PolarHBondContact O-NH2 2.78Å; I173-R1132 PolarHBondContact O-NE 3.34Å; I173-R1132 VanDerWaalsContact O-NE 3.1Å; I173-R1132 PolarHBondContact O-NH2 3.33Å; Y1128-R1132 CarbonylContact C-O 3.44Å; Y1128-R1132 VanDerWaalsContact CA-O 3.31Å; Y1128-R1132 WeakPolarHBondContact CA-O 3.1Å; E1129-R1132 PolarHBondContact N-O 3.31Å; E1129-R1132 PolarHBondContact O-N 3.13Å; R1132-M1134 PolarHBondContact O-N 2.97Å; R1132-M1134 VanDerWaalsContact O-N 3.08Å
1133	I	91.3	Very high	94.8	Very high	74 Å²	74	49.1 Å²	49.1	38%	0.379	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	117.6	168.9	-62	174.1	0	0	0	107.9	V1126 Y1128 A1135 D1136	V1126-I1133 HydrophobicContact CG1-CB 4.5Å; V1126-I1133 HydrophobicContact CG1-CD1 4.07Å; V1126-I1133 HydrophobicContact CG1-CG1 3.93Å; V1126-I1133 HydrophobicContact CG1-CG2 3.88Å; Y1128-I1133 HydrophobicContact CD1-CG1 3.77Å; Y1128-I1133 HydrophobicContact CE1-CD1 4.12Å; Y1128-I1133 HydrophobicContact CE1-CG1 3.37Å; I1133-A1135 WeakPolarHBondContact CG2-O 3.37Å; I1133-D1136 HydrophobicContact CG2-CB 4.08Å
1134	M	91.8	Very high	94.8	Very high	22 Å²	22	50.4 Å²	50.4	11%	0.108	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-42.3	-179	-175.5	-75.7	-64.1	0	0	109.5	W1042 I1102 M1127 E1129 R1132	W1042-M1134 HydrophobicContact CH2-CE 3.44Å; W1042-M1134 VanDerWaalsContact CH2-CE 3.44Å; W1042-M1134 HydrophobicContact CZ2-CE 3.29Å; W1042-M1134 HydrophobicContact CZ3-CE 4.46Å; I1102-M1134 HydrophobicContact CB-SD 4.08Å; I1102-M1134 HydrophobicContact CD1-SD 4.24Å; I1102-M1134 HydrophobicContact CG2-SD 3.73Å; M1127-M1134 HydrophobicContact CB-CE 4.45Å; M1127-M1134 HydrophobicContact CG-CE 3.93Å; M1127-M1134 PolarHBondContact O-N 3.31Å; E1129-M1134 HydrophobicContact CB-CB 4.06Å; E1129-M1134 HydrophobicContact CB-CG 4.35Å; R1132-M1134 PolarHBondContact O-N 2.97Å; R1132-M1134 VanDerWaalsContact O-N 3.08Å
1135	A	92.4	Very high	94.7	Very high	7 Å²	7	46.3 Å²	46.3	6%	0.058	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.9	169.3	0	0	0	0	0	111.7	L1063 W1096 M1127 I1133	L1063-A1135 HydrophobicContact CD2-CB 4.35Å; W1096-A1135 HydrophobicContact CH2-CB 4.22Å; M1127-A1135 HydrophobicContact CB-CB 4.33Å; M1127-A1135 PolarHBondContact N-O 3.04Å; M1127-A1135 PolarHBondContact O-N 3.03Å; I1133-A1135 WeakPolarHBondContact CG2-O 3.37Å
1136	D	95.9	Very high	94.7	Very high	58 Å²	58	47.1 Å²	47.1	31%	0.31	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	127.1	171.5	177.9	0.1	0	0	0	106.4	R1124 V1126 I1133 G1138	R1124-D1136 IonicContact CZ-OD1 2.74Å; R1124-D1136 IonicContact CZ-OD2 3.36Å; R1124-D1136 IonicContact NE-OD1 3.51Å; R1124-D1136 PolarHBondContact NE-OD1 2.79Å; R1124-D1136 IonicContact NE-OD2 2.72Å; R1124-D1136 IonicContact NH2-OD1 2.79Å; R1124-D1136 IonicContact NH2-OD2 3.19Å; R1124-D1136 PolarHBondContact NH2-OD2 3.47Å; V1126-D1136 HydrophobicContact CG1-CB 4.48Å; I1133-D1136 HydrophobicContact CG2-CB 4.08Å; D1136-G1138 PolarHBondContact O-N 3.19Å; D1136-G1138 PolarHBondContact OD1-N 3.05Å
1137	S	95.4	Very high	94.7	Very high	16 Å²	16	46.7 Å²	46.7	11%	0.112	23%	0.232	C	C	.	.			trans	-70.5	-21	178.5	64.6	0	0	0	0	113.2	R1124 V1125	R1124-S1137 WeakPolarHBondContact CA-OG 3.48Å; V1125-S1137 PolarHBondContact N-OG 3.31Å; V1125-S1137 PolarHBondContact O-N 2.96Å; V1125-S1137 PolarHBondContact O-OG 3.02Å
1138	G	95	Very high	94.7	Very high	27 Å²	27	46.8 Å²	46.8	28%	0.278	23%	0.234	S	C	.	.			trans	62.8	-170.5	-156.2	0	0	0	0	0	111.4	D1136 I1140	D1136-G1138 PolarHBondContact O-N 3.19Å; D1136-G1138 PolarHBondContact OD1-N 3.05Å; G1138-I1140 PolarHBondContact O-N 2.93Å
1139	N	96.8	Very high	94.9	Very high	92 Å²	92	44.6 Å²	44.6	49%	0.492	23%	0.225	S	C	.	.			trans	-78.4	104	-179.9	-64.8	27.7	0	0	0	110.5	L1122 Y1141	L1122-N1139 HydrophobicContact CD1-CB 3.55Å; N1139-Y1141 HydrophobicContact CB-CE2 3.79Å; N1139-Y1141 PolarHBondContact ND2-OH 3.1Å
1140	I	96.8	Very high	95.1	Very high	20 Å²	20	41.7 Å²	41.7	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	149.7	163.4	-60.4	168.7	0	0	0	107.7	I1065 L1095 W1096 I1123 G1138	I1065-I1140 HydrophobicContact CB-CD1 4.43Å; I1065-I1140 HydrophobicContact CD1-CD1 3.64Å; I1065-I1140 HydrophobicContact CG2-CD1 4.31Å; L1095-I1140 HydrophobicContact CB-CD1 4.47Å; L1095-I1140 HydrophobicContact CB-CG2 4.19Å; L1095-I1140 HydrophobicContact CD1-CG2 4.29Å; W1096-I1140 HydrophobicContact CB-CD1 3.49Å; W1096-I1140 VanDerWaalsContact CB-CD1 3.49Å; W1096-I1140 HydrophobicContact CB-CG1 4.31Å; W1096-I1140 HydrophobicContact CG-CD1 4.14Å; I1123-I1140 HydrophobicContact CB-CB 4.11Å; I1123-I1140 HydrophobicContact CB-CG2 4.38Å; I1123-I1140 PolarHBondContact N-O 2.04Å; I1123-I1140 WeakPolarHBondContact O-CA 3.39Å; I1123-I1140 WeakPolarHBondContact O-CB 3.31Å; I1123-I1140 PolarHBondContact O-N 2.85Å; G1138-I1140 PolarHBondContact O-N 2.93Å
1141	Y	97.3	Very high	95.5	Very high	146 Å²	146	40.7 Å²	40.7	57%	0.573	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.2	171.1	-67	-85.7	0	0	0	110	G1121 L1122 N1139	G1121-Y1141 CarbonylContact O-C 3.59Å; G1121-Y1141 VanDerWaalsContact O-CA 3.27Å; G1121-Y1141 WeakPolarHBondContact O-CA 3.23Å; L1122-Y1141 HydrophobicContact CB-CD1 4.47Å; L1122-Y1141 HydrophobicContact CB-CE1 4.11Å; L1122-Y1141 HydrophobicContact CD1-CE1 4.11Å; N1139-Y1141 HydrophobicContact CB-CE2 3.79Å; N1139-Y1141 PolarHBondContact ND2-OH 3.1Å
1142	D	97.9	Very high	95.9	Very high	18 Å²	18	37.2 Å²	37.2	10%	0.096	19%	0.186	C	C	.	.			trans	-140.7	150.2	174.7	-147.7	-82.7	0	0	0	110.9	Y1038 R1093 L1095 G1121 I1123 T1144	Y1038-D1142 HydrophobicContact CE1-CB 4.21Å; R1093-D1142 IonicContact CZ-OD2 3.16Å; R1093-D1142 IonicContact NH1-OD2 3.16Å; R1093-D1142 PolarHBondContact NH1-OD2 3.03Å; R1093-D1142 VanDerWaalsContact NH2-CG 3.29Å; R1093-D1142 IonicContact NH2-OD1 2.71Å; R1093-D1142 PolarHBondContact NH2-OD1 3.06Å; R1093-D1142 IonicContact NH2-OD2 3.85Å; R1093-D1142 PolarHBondContact NH2-OD2 3.46Å; L1095-D1142 HydrophobicContact CD1-CB 4.08Å; L1095-D1142 HydrophobicContact CD2-CB 4.43Å; L1095-D1142 VanDerWaalsContact CD2-OD2 3.31Å; L1095-D1142 WeakPolarHBondContact CD2-OD2 3.09Å; G1121-D1142 CarbonylContact C-O 3.57Å; G1121-D1142 WeakPolarHBondContact CA-O 3.36Å; G1121-D1142 PolarHBondContact O-N 3.26Å; I1123-D1142 HydrophobicContact CD1-CB 3.98Å; D1142-T1144 WeakPolarHBondContact OD1-CB 3.35Å; D1142-T1144 PolarHBondContact OD1-N 2.99Å; D1142-T1144 VanDerWaalsContact OD1-N 3.14Å; D1142-T1144 PolarHBondContact OD1-OG1 3.17Å
1143	K	96.4	Very high	96.4	Very high	129 Å²	129	31.7 Å²	31.7	56%	0.561	17%	0.165	S	C	*	.			trans	-142.8	41	-176.7	-74.1	-175.9	155	-70.6	0	109.9	P1118 K1119 T1120	P1118-K1143 PolarHBondContact O-NZ 3.26Å; K1119-K1143 PolarHBondContact O-NZ 2.64Å; T1120-K1143 WeakPolarHBondContact O-CE 3.15Å
1144	T	96.8	Very high	96.7	Very high	27 Å²	27	28.1 Å²	28.1	17%	0.166	15%	0.147	C	C	.	.	S	Bend	trans	-75.8	-37.9	174.6	-50.8	0	0	0	0	110.1	Y1038 V1067 R1093 D1142	Y1038-T1144 PolarHBondContact OH-N 3.47Å; V1067-T1144 HydrophobicContact CG2-CG2 4.01Å; R1093-T1144 PolarHBondContact NH2-OG1 3.45Å; D1142-T1144 WeakPolarHBondContact OD1-CB 3.35Å; D1142-T1144 PolarHBondContact OD1-N 2.99Å; D1142-T1144 VanDerWaalsContact OD1-N 3.14Å; D1142-T1144 PolarHBondContact OD1-OG1 3.17Å
1145	Y	98.1	Very high	96.9	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.142	C	C	.	.			trans	-128.5	139.4	177.1	-52.8	-52.6	0	0	0	110.3	E866 R1036 Y1038 V1067 V1068 N1069	E866-Y1145 CarbonylContact O-C 3.44Å; E866-Y1145 WeakPolarHBondContact O-CA 3.48Å; R1036-Y1145 WeakPolarHBondContact CA-OH 3.06Å; R1036-Y1145 HydrophobicContact CB-CD1 4.32Å; R1036-Y1145 HydrophobicContact CB-CE1 3.64Å; R1036-Y1145 HydrophobicContact CB-CE2 4.37Å; R1036-Y1145 HydrophobicContact CG-CE1 3.79Å; Y1038-Y1145 HydrophobicContact CD2-CD2 4.22Å; Y1038-Y1145 HydrophobicContact CE1-CD2 4.47Å; Y1038-Y1145 AromaticContact CE2-CD2 3.99Å; Y1038-Y1145 HydrophobicContact CE2-CD2 3.99Å; Y1038-Y1145 HydrophobicContact CE2-CG 4.37Å; Y1038-Y1145 PolarHBondContact OH-N 2.82Å; Y1038-Y1145 VanDerWaalsContact OH-N 3.08Å; Y1038-Y1145 PolarHBondContact OH-O 2.83Å; V1067-Y1145 HydrophobicContact CG2-CD2 4.05Å; V1067-Y1145 HydrophobicContact CG2-CE2 3.53Å; V1068-Y1145 VanDerWaalsContact O-CE2 3.3Å; V1068-Y1145 WeakPolarHBondContact O-CE2 3.47Å; V1068-Y1145 PolarHBondContact O-OH 3.01Å; N1069-Y1145 WeakPolarHBondContact CA-OH 3.19Å; N1069-Y1145 WeakPolarHBondContact CB-OH 3.19Å; N1069-Y1145 PolarHBondContact ND2-OH 2.7Å
1146	A	97.1	Very high	97	Very high	18 Å²	18	27 Å²	27	15%	0.149	14%	0.141	C	C	.	.	S	Bend	trans	-99.6	-0.4	-171.9	0	0	0	0	0	114.3	E866 D867 P880 P1118	E866-A1146 PolarHBondContact O-N 3.2Å; D867-A1146 HydrophobicContact CB-CB 4.19Å; P880-A1146 HydrophobicContact CB-CB 3.65Å; P880-A1146 HydrophobicContact CG-CB 3.84Å; P1118-A1146 WeakPolarHBondContact CB-O 3.13Å; P1118-A1146 WeakPolarHBondContact CG-O 3.46Å
1147	G	96.6	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.			trans	176.1	-154.2	174.1	0	0	0	0	0	110.8	F1005 G1030	F1005-G1147 CarbonylContact O-C 3.53Å; F1005-G1147 VanDerWaalsContact O-CA 3.28Å; F1005-G1147 WeakPolarHBondContact O-CA 2.98Å; G1030-G1147 CarbonylContact C-O 3.57Å; G1030-G1147 WeakPolarHBondContact CA-O 3.39Å
1148	G	97.6	Very high	97	Very high	6 Å²	6	25.3 Å²	25.3	6%	0.062	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121	-170.2	169.8	0	0	0	0	0	114.3	A882 F1005	A882-G1148 VanDerWaalsContact CB-N 3.34Å; F1005-G1148 PolarHBondContact N-O 2.91Å; F1005-G1148 VanDerWaalsContact N-O 3.15Å; F1005-G1148 PolarHBondContact O-N 2.04Å; F1005-G1148 VanDerWaalsContact O-N 3.09Å
1149	R	98.5	Very high	97	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	162.1	-169.5	-61.2	-171	-79.1	133.5	-8.7	113.9	Q963 V1000 G1001 Y1002 D1003 E1004 F1029 G1030 Y1031	Q963-R1149 VanDerWaalsContact OE1-CZ 3.29Å; V1000-R1149 HydrophobicContact CG1-CB 3.63Å; G1001-R1149 WeakPolarHBondContact O-CD 3.43Å; G1001-R1149 PolarHBondContact O-NH1 3.49Å; G1001-R1149 VanDerWaalsContact O-NH1 3.17Å; Y1002-R1149 VanDerWaalsContact O-CD 3.29Å; Y1002-R1149 WeakPolarHBondContact O-CD 3.36Å; D1003-R1149 WeakPolarHBondContact O-CG 3.39Å; E1004-R1149 HydrophobicContact CB-CG 4.42Å; E1004-R1149 HydrophobicContact CG-CG 3.27Å; E1004-R1149 WeakPolarHBondContact OE1-CD 3.01Å; E1004-R1149 IonicContact OE1-NE 2.74Å; F1029-R1149 CarbonylContact C-O 3.56Å; G1030-R1149 PolarHBondContact N-O 3.23Å; Y1031-R1149 PolarHBondContact N-O 3.23Å; Y1031-R1149 PolarHBondContact O-N 3.46Å
1150	L	98.6	Very high	97.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	157.9	172.6	-65	178.5	0	0	0	111.2	F959 V1000 G1001 F1005 V1008 F1010 F1029 Y1167	F959-L1150 HydrophobicContact CE1-CB 4.29Å; F959-L1150 HydrophobicContact CZ-CB 4.01Å; V1000-L1150 CarbonylContact C-O 3.51Å; V1000-L1150 WeakPolarHBondContact CA-O 3.39Å; V1000-L1150 WeakPolarHBondContact CG1-O 3.2Å; G1001-L1150 PolarHBondContact N-O 3Å; F1005-L1150 HydrophobicContact CD2-CD1 4.02Å; F1005-L1150 HydrophobicContact CD2-CG 3.8Å; F1005-L1150 HydrophobicContact CE2-CB 4.42Å; F1005-L1150 HydrophobicContact CE2-CD1 3.69Å; F1005-L1150 HydrophobicContact CE2-CG 3.77Å; F1005-L1150 HydrophobicContact CZ-CD1 4.17Å; V1008-L1150 HydrophobicContact CG1-CD2 4.38Å; V1008-L1150 HydrophobicContact CG2-CD1 4.15Å; F1010-L1150 HydrophobicContact CB-CD1 4.03Å; F1010-L1150 HydrophobicContact CB-CD2 4.25Å; F1010-L1150 HydrophobicContact CD1-CD1 4.28Å; F1010-L1150 HydrophobicContact CD1-CD2 4.04Å; F1010-L1150 HydrophobicContact CD2-CD1 3.86Å; F1010-L1150 HydrophobicContact CE2-CD1 4.37Å; F1010-L1150 HydrophobicContact CG-CD1 3.82Å; F1010-L1150 HydrophobicContact CG-CD2 4.22Å; F1029-L1150 HydrophobicContact CB-CD2 3.64Å; L1150-Y1167 HydrophobicContact CD1-CD1 3.57Å; L1150-Y1167 HydrophobicContact CD1-CE1 4.43Å; L1150-Y1167 HydrophobicContact CD1-CG 3.82Å
1151	G	97.9	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	174.2	175.1	0	0	0	0	0	115	A999 F1027 V1028	A999-G1151 CarbonylContact O-C 3.33Å; A999-G1151 WeakPolarHBondContact O-CA 3.02Å; F1027-G1151 CarbonylContact C-O 3.44Å; F1027-G1151 VanDerWaalsContact CA-O 3.31Å; F1027-G1151 WeakPolarHBondContact CA-O 3.32Å; F1027-G1151 VanDerWaalsContact CB-O 3.25Å; F1027-G1151 WeakPolarHBondContact CB-O 3.35Å; V1028-G1151 PolarHBondContact N-O 3.3Å; V1028-G1151 PolarHBondContact O-N 2.63Å; V1028-G1151 VanDerWaalsContact O-N 3.15Å
1152	L	98.4	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.6	-177.4	-55.1	175.2	0	0	0	110.2	W979 L988 I998 A999 F1010 W1112 F1162 L1165	W979-L1152 HydrophobicContact CH2-CB 3.71Å; W979-L1152 HydrophobicContact CZ3-CB 3.8Å; W979-L1152 HydrophobicContact CZ3-CD1 4.23Å; L988-L1152 HydrophobicContact CB-CD1 3.63Å; L988-L1152 HydrophobicContact CD1-CD1 4.19Å; L988-L1152 HydrophobicContact CD2-CD1 4.11Å; L988-L1152 HydrophobicContact CG-CD1 4.18Å; I998-L1152 CarbonylContact C-O 3.54Å; I998-L1152 VanDerWaalsContact CA-O 3.26Å; I998-L1152 WeakPolarHBondContact CA-O 3.37Å; I998-L1152 WeakPolarHBondContact CG2-O 3.44Å; A999-L1152 PolarHBondContact N-O 2.97Å; A999-L1152 PolarHBondContact O-N 3.15Å; F1010-L1152 HydrophobicContact CZ-CD2 4.44Å; W1112-L1152 HydrophobicContact CH2-CD2 4.25Å; W1112-L1152 HydrophobicContact CZ2-CD2 4.34Å; L1152-F1162 HydrophobicContact CB-CD2 4.33Å; L1152-F1162 HydrophobicContact CB-CE2 4.38Å; L1152-F1162 HydrophobicContact CB-CG 4.41Å; L1152-F1162 HydrophobicContact CD1-CB 3.64Å; L1152-F1162 HydrophobicContact CD1-CD2 4.01Å; L1152-F1162 HydrophobicContact CD1-CG 3.88Å; L1152-F1162 HydrophobicContact CD2-CB 3.95Å; L1152-F1162 HydrophobicContact CD2-CD1 3.91Å; L1152-F1162 HydrophobicContact CD2-CG 3.95Å; L1152-F1162 HydrophobicContact CG-CB 4.37Å; L1152-F1162 HydrophobicContact CG-CG 4.3Å; L1152-L1165 HydrophobicContact CD1-CD1 4Å; L1152-L1165 HydrophobicContact CD2-CD1 4.45Å; L1152-L1165 HydrophobicContact CD2-CD2 4.08Å
1153	Y	97.8	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.1	-168.5	173.2	-86.3	0	0	0	111.7	L967 I998 A1025 G1026 V1028 M1041 F1155	L967-Y1153 HydrophobicContact CD1-CD2 4.33Å; L967-Y1153 HydrophobicContact CD1-CE2 3.84Å; I998-Y1153 HydrophobicContact CG1-CD2 4.35Å; A1025-Y1153 CarbonylContact C-O 3.34Å; A1025-Y1153 WeakPolarHBondContact CA-O 3.14Å; G1026-Y1153 PolarHBondContact N-O 2.84Å; G1026-Y1153 PolarHBondContact O-N 2.94Å; V1028-Y1153 HydrophobicContact CG1-CD2 4.41Å; M1041-Y1153 HydrophobicContact CB-CD1 4.23Å; M1041-Y1153 HydrophobicContact CB-CE1 4.01Å; M1041-Y1153 HydrophobicContact CE-CE1 3.94Å; M1041-Y1153 HydrophobicContact CE-CE2 4.36Å; Y1153-F1155 HydrophobicContact CE1-CB 4.17Å
1154	V	97.1	Very high	97.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.1	170.7	-68.3	0	0	0	0	111.4	P977 W979 Q990 P996 G997 A1025 V1160 F1162	P977-V1154 HydrophobicContact CB-CG2 3.86Å; P977-V1154 HydrophobicContact CG-CG2 3.95Å; W979-V1154 HydrophobicContact CH2-CG1 4.09Å; W979-V1154 HydrophobicContact CH2-CG2 4.2Å; W979-V1154 HydrophobicContact CZ2-CG2 3.95Å; Q990-V1154 HydrophobicContact CB-CG1 4.18Å; Q990-V1154 HydrophobicContact CG-CB 4.5Å; Q990-V1154 HydrophobicContact CG-CG1 3.94Å; Q990-V1154 HydrophobicContact CG-CG2 3.96Å; P996-V1154 WeakPolarHBondContact CA-O 3.32Å; G997-V1154 PolarHBondContact N-O 3.48Å; G997-V1154 PolarHBondContact O-N 3.06Å; G997-V1154 VanDerWaalsContact O-N 3.15Å; A1025-V1154 HydrophobicContact CB-CG1 4.23Å; V1154-V1160 HydrophobicContact CG1-CB 4.47Å; V1154-V1160 HydrophobicContact CG1-CG2 4.26Å; V1154-F1162 HydrophobicContact CG1-CE2 4.04Å; V1154-F1162 HydrophobicContact CG1-CZ 4.05Å
1155	F	96.2	Very high	97.3	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	107.4	169.3	-178	4	0	0	0	108.9	P996 Y1024 Y1049 R1079 W1083 Y1153 Q1157	P996-F1155 HydrophobicContact CB-CB 3.94Å; P996-F1155 HydrophobicContact CB-CD1 3.82Å; P996-F1155 HydrophobicContact CB-CD2 3.8Å; P996-F1155 HydrophobicContact CB-CE1 4.26Å; P996-F1155 HydrophobicContact CB-CE2 4.19Å; P996-F1155 HydrophobicContact CB-CG 3.6Å; P996-F1155 HydrophobicContact CB-CZ 4.43Å; P996-F1155 HydrophobicContact CG-CD1 4.17Å; P996-F1155 HydrophobicContact CG-CD2 4.43Å; P996-F1155 HydrophobicContact CG-CE1 4.14Å; P996-F1155 HydrophobicContact CG-CE2 4.35Å; P996-F1155 HydrophobicContact CG-CG 4.36Å; P996-F1155 HydrophobicContact CG-CZ 4.23Å; Y1024-F1155 PolarHBondContact N-O 2.8Å; Y1024-F1155 VanDerWaalsContact N-O 3.17Å; Y1024-F1155 PolarHBondContact O-N 2.73Å; Y1049-F1155 HydrophobicContact CD2-CZ 4.35Å; Y1049-F1155 AromaticContact CE2-CE1 3.88Å; Y1049-F1155 HydrophobicContact CE2-CE1 3.88Å; Y1049-F1155 AromaticContact CE2-CZ 3.68Å; Y1049-F1155 HydrophobicContact CE2-CZ 3.68Å; Y1049-F1155 AromaticContact CZ-CZ 3.97Å; R1079-F1155 HydrophobicContact CG-CE1 4.31Å; R1079-F1155 HydrophobicContact CG-CE2 3.98Å; R1079-F1155 HydrophobicContact CG-CZ 3.46Å; R1079-F1155 VanDerWaalsContact CG-CZ 3.46Å; W1083-F1155 HydrophobicContact CB-CE2 3.97Å; W1083-F1155 HydrophobicContact CD2-CE2 4.45Å; W1083-F1155 HydrophobicContact CE3-CD1 4.34Å; W1083-F1155 AromaticContact CE3-CD2 3.98Å; W1083-F1155 HydrophobicContact CE3-CD2 3.98Å; W1083-F1155 AromaticContact CE3-CE1 3.97Å; W1083-F1155 HydrophobicContact CE3-CE1 3.97Å; W1083-F1155 AromaticContact CE3-CE2 3.62Å; W1083-F1155 HydrophobicContact CE3-CE2 3.62Å; W1083-F1155 HydrophobicContact CE3-CG 4.33Å; W1083-F1155 AromaticContact CE3-CZ 3.58Å; W1083-F1155 HydrophobicContact CE3-CZ 3.58Å; W1083-F1155 HydrophobicContact CZ3-CD1 4.35Å; W1083-F1155 HydrophobicContact CZ3-CE1 4.1Å; W1083-F1155 HydrophobicContact CZ3-CZ 4.18Å; Y1153-F1155 HydrophobicContact CE1-CB 4.17Å; F1155-Q1157 VanDerWaalsContact C-N 3.3Å; F1155-Q1157 PolarHBondContact O-N 2.9Å
1156	S	94.4	Very high	97.2	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.028	5%	0.047	C	C	.	.	S	Bend	trans	66.6	21.5	172.3	-169.2	0	0	0	0	115.4	N993 C994 D1023 W1050	N993-S1156 PolarHBondContact ND2-O 3.36Å; N993-S1156 WeakPolarHBondContact OD1-CA 3.41Å; C994-S1156 WeakPolarHBondContact O-CA 3.42Å; C994-S1156 PolarHBondContact O-N 2.78Å; D1023-S1156 WeakPolarHBondContact CB-O 3.37Å; D1023-S1156 WeakPolarHBondContact OD2-CB 3.4Å; D1023-S1156 PolarHBondContact OD2-OG 3.4Å; W1050-S1156 WeakPolarHBondContact CH2-OG 3.1Å
1157	Q	95.9	Very high	97.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.			trans	-118.3	142.1	174.6	-177.2	59.3	55.6	0	0	110.3	Q990 I1016 R1020 D1023 W1104 F1155 V1160	Q990-Q1157 PolarHBondContact OE1-O 2.71Å; I1016-Q1157 HydrophobicContact CD1-CG 4.01Å; R1020-Q1157 PolarHBondContact O-NE2 2.99Å; D1023-Q1157 HydrophobicContact CB-CB 4.29Å; D1023-Q1157 VanDerWaalsContact N-OE1 3.15Å; W1104-Q1157 HydrophobicContact CZ2-CG 4.4Å; W1104-Q1157 VanDerWaalsContact CZ2-OE1 3.29Å; F1155-Q1157 VanDerWaalsContact C-N 3.3Å; F1155-Q1157 PolarHBondContact O-N 2.9Å; Q1157-V1160 HydrophobicContact CB-CG2 4.17Å; Q1157-V1160 HydrophobicContact CG-CG2 3.6Å
1158	E	95.3	Very high	97.1	Very high	39 Å²	39	10.2 Å²	10.2	18%	0.182	5%	0.049	C	C	.	.			trans	-108.5	161	174.1	71.4	-175.5	-157.3	0	0	112.3	N993 T1018 R1020	N993-E1158 HydrophobicContact CB-CB 4.25Å; T1018-E1158 HydrophobicContact CG2-CG 4.27Å; T1018-E1158 WeakPolarHBondContact CG2-O 3.26Å; R1020-E1158 WeakPolarHBondContact CD-OE1 3.43Å; R1020-E1158 IonicContact CZ-OE1 3.94Å; R1020-E1158 IonicContact NE-OE1 3.31Å; R1020-E1158 IonicContact NH1-OE1 3.91Å; R1020-E1158 PolarHBondContact NH1-OE1 3.4Å; R1020-E1158 VanDerWaalsContact NH1-OE1 3.09Å
1159	M	95.9	Very high	97	Very high	52 Å²	52	11.6 Å²	11.6	26%	0.256	6%	0.058	S	C	.	.	S	Bend	trans	56.3	50.9	175.8	-58.9	-60.4	-68.1	0	0	113.9	Q990 I1016 N1017 T1018 Y1161	Q990-M1159 CarbonylContact O-C 3.23Å; Q990-M1159 WeakPolarHBondContact O-CA 3.49Å; Q990-M1159 PolarHBondContact O-N 2.92Å; I1016-M1159 WeakPolarHBondContact CA-O 3.32Å; N1017-M1159 HydrophobicContact CB-CB 4.41Å; N1017-M1159 PolarHBondContact N-O 2.89Å; T1018-M1159 HydrophobicContact CG2-CB 3.99Å; M1159-Y1161 HydrophobicContact CB-CE2 4.49Å; M1159-Y1161 HydrophobicContact CE-CE2 4.22Å; M1159-Y1161 WeakPolarHBondContact CE-OH 3.38Å; M1159-Y1161 WeakPolarHBondContact O-CD2 3.41Å
1160	V	97.8	Very high	96.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.3	178.9	-167	0	0	0	0	110.7	V989 Q990 F1014 I1016 A1025 V1154 Q1157 F1162	V989-V1160 CarbonylContact C-O 3.54Å; V989-V1160 WeakPolarHBondContact CA-O 3.45Å; Q990-V1160 HydrophobicContact CB-CB 4.39Å; Q990-V1160 PolarHBondContact N-O 2.68Å; Q990-V1160 PolarHBondContact O-N 3.03Å; F1014-V1160 HydrophobicContact CD2-CG1 4.29Å; F1014-V1160 HydrophobicContact CE2-CG1 3.81Å; I1016-V1160 HydrophobicContact CG1-CG1 4.22Å; I1016-V1160 HydrophobicContact CG1-CG2 4.28Å; A1025-V1160 HydrophobicContact CB-CG1 3.81Å; A1025-V1160 HydrophobicContact CB-CG2 4.03Å; V1154-V1160 HydrophobicContact CG1-CB 4.47Å; V1154-V1160 HydrophobicContact CG1-CG2 4.26Å; Q1157-V1160 HydrophobicContact CB-CG2 4.17Å; Q1157-V1160 HydrophobicContact CG-CG2 3.6Å; V1160-F1162 HydrophobicContact CB-CE2 3.96Å; V1160-F1162 HydrophobicContact CB-CZ 4.27Å; V1160-F1162 HydrophobicContact CG1-CD2 4.19Å; V1160-F1162 HydrophobicContact CG1-CE1 3.99Å; V1160-F1162 HydrophobicContact CG1-CE2 3.53Å; V1160-F1162 HydrophobicContact CG1-CZ 3.43Å; V1160-F1162 VanDerWaalsContact CG1-CZ 3.43Å
1161	Y	98.2	Very high	95	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.3	-176.6	-69.3	-121.5	0	0	0	108.4	L723 E739 V989 F1014 F1015 N1017 M1159	L723-Y1161 HydrophobicContact CD1-CE1 4.13Å; E739-Y1161 HydrophobicContact CG-CE1 4.12Å; E739-Y1161 WeakPolarHBondContact OE1-CE1 3.41Å; E739-Y1161 VanDerWaalsContact OE1-CZ 3.22Å; E739-Y1161 PolarHBondContact OE1-OH 2.88Å; V989-Y1161 HydrophobicContact CG1-CD1 4.21Å; V989-Y1161 HydrophobicContact CG1-CD2 3.97Å; V989-Y1161 HydrophobicContact CG1-CE1 3.98Å; V989-Y1161 HydrophobicContact CG1-CE2 3.67Å; V989-Y1161 HydrophobicContact CG1-CG 4.19Å; V989-Y1161 HydrophobicContact CG2-CD1 3.66Å; V989-Y1161 HydrophobicContact CG2-CE1 3.83Å; V989-Y1161 HydrophobicContact CG2-CG 4.14Å; F1014-Y1161 WeakPolarHBondContact CA-O 2.97Å; F1015-Y1161 HydrophobicContact CD1-CD2 4.46Å; F1015-Y1161 PolarHBondContact N-O 2.93Å; F1015-Y1161 VanDerWaalsContact N-O 3.15Å; F1015-Y1161 PolarHBondContact O-N 2.77Å; N1017-Y1161 HydrophobicContact CB-CD2 3.91Å; N1017-Y1161 HydrophobicContact CB-CE2 3.29Å; N1017-Y1161 PolarHBondContact ND2-OH 3.07Å; M1159-Y1161 HydrophobicContact CB-CE2 4.49Å; M1159-Y1161 HydrophobicContact CE-CE2 4.22Å; M1159-Y1161 WeakPolarHBondContact CE-OH 3.38Å; M1159-Y1161 WeakPolarHBondContact O-CD2 3.41Å
1162	F	98.4	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	84.8	176.8	-59	-79.7	0	0	0	107.6	W979 E987 L988 T1013 F1014 A1025 G1026 W1112 L1152 V1154 V1160 L1165	W979-F1162 HydrophobicContact CH2-CE2 4.02Å; W979-F1162 AromaticContact CZ3-CD2 3.84Å; W979-F1162 HydrophobicContact CZ3-CD2 3.84Å; W979-F1162 AromaticContact CZ3-CE2 3.62Å; W979-F1162 HydrophobicContact CZ3-CE2 3.62Å; E987-F1162 VanDerWaalsContact CA-O 3.32Å; E987-F1162 WeakPolarHBondContact CA-O 3.05Å; L988-F1162 PolarHBondContact N-O 3.05Å; L988-F1162 WeakPolarHBondContact O-CB 3.39Å; L988-F1162 PolarHBondContact O-N 3.25Å; T1013-F1162 CarbonylContact O-C 3.5Å; T1013-F1162 VanDerWaalsContact O-CA 3.32Å; T1013-F1162 WeakPolarHBondContact O-CA 3.29Å; F1014-F1162 HydrophobicContact CD2-CD1 4.41Å; F1014-F1162 HydrophobicContact CD2-CE1 4.03Å; F1014-F1162 HydrophobicContact CE2-CE1 4.3Å; A1025-F1162 HydrophobicContact CB-CZ 4.28Å; G1026-F1162 WeakPolarHBondContact O-CE1 3.2Å; W1112-F1162 HydrophobicContact CH2-CB 4.32Å; W1112-F1162 AromaticContact CH2-CD1 3.83Å; W1112-F1162 HydrophobicContact CH2-CD1 3.83Å; W1112-F1162 HydrophobicContact CZ3-CD1 4.02Å; L1152-F1162 HydrophobicContact CB-CD2 4.33Å; L1152-F1162 HydrophobicContact CB-CE2 4.38Å; L1152-F1162 HydrophobicContact CB-CG 4.41Å; L1152-F1162 HydrophobicContact CD1-CB 3.64Å; L1152-F1162 HydrophobicContact CD1-CD2 4.01Å; L1152-F1162 HydrophobicContact CD1-CG 3.88Å; L1152-F1162 HydrophobicContact CD2-CB 3.95Å; L1152-F1162 HydrophobicContact CD2-CD1 3.91Å; L1152-F1162 HydrophobicContact CD2-CG 3.95Å; L1152-F1162 HydrophobicContact CG-CB 4.37Å; L1152-F1162 HydrophobicContact CG-CG 4.3Å; V1154-F1162 HydrophobicContact CG1-CE2 4.04Å; V1154-F1162 HydrophobicContact CG1-CZ 4.05Å; V1160-F1162 HydrophobicContact CB-CE2 3.96Å; V1160-F1162 HydrophobicContact CB-CZ 4.27Å; V1160-F1162 HydrophobicContact CG1-CD2 4.19Å; V1160-F1162 HydrophobicContact CG1-CE1 3.99Å; V1160-F1162 HydrophobicContact CG1-CE2 3.53Å; V1160-F1162 HydrophobicContact CG1-CZ 3.43Å; V1160-F1162 VanDerWaalsContact CG1-CZ 3.43Å; F1162-L1165 HydrophobicContact CB-CD2 4.25Å
1163	S	97.9	Very high	92.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	156	-165.5	-176.7	0	0	0	0	112.5	P724 S726 E987 T1013 L1165	P724-S1163 WeakPolarHBondContact CB-OG 3.31Å; S726-S1163 WeakPolarHBondContact CB-OG 3.44Å; S726-S1163 PolarHBondContact OG-OG 3.12Å; E987-S1163 VanDerWaalsContact OE2-CB 3.28Å; E987-S1163 WeakPolarHBondContact OE2-CB 3.16Å; E987-S1163 PolarHBondContact OE2-OG 2.85Å; T1013-S1163 WeakPolarHBondContact CB-O 3.24Å; T1013-S1163 PolarHBondContact N-O 3.28Å; T1013-S1163 PolarHBondContact O-N 3.33Å; S1163-L1165 VanDerWaalsContact C-N 3.26Å; S1163-L1165 PolarHBondContact O-N 3.38Å
1164	D	96.8	Very high	91.9	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.5	47.4	-179.8	-174.6	64.7	0	0	0	113.5	D698 S726 K986 R1111 K1166	D698-D1164 VanDerWaalsContact O-CB 3.31Å; D698-D1164 WeakPolarHBondContact O-CB 3.14Å; S726-D1164 PolarHBondContact OG-N 2.96Å; S726-D1164 VanDerWaalsContact OG-N 3.1Å; K986-D1164 PolarHBondContact O-N 3.02Å; K986-D1164 VanDerWaalsContact O-N 3.16Å; R1111-D1164 IonicContact CZ-OD2 2.71Å; R1111-D1164 VanDerWaalsContact CZ-OD2 3.32Å; R1111-D1164 PolarHBondContact NH1-O 3.26Å; R1111-D1164 VanDerWaalsContact NH1-O 3.14Å; R1111-D1164 IonicContact NH1-OD2 3.6Å; R1111-D1164 PolarHBondContact NH1-OD2 3.11Å; R1111-D1164 PolarHBondContact NH2-O 3.43Å; R1111-D1164 IonicContact NH2-OD2 3.57Å; R1111-D1164 PolarHBondContact NH2-OD2 3.2Å; R1111-D1164 VanDerWaalsContact NH2-OD2 3.16Å; D1164-K1166 PolarHBondContact O-N 3.17Å; D1164-K1166 WeakPolarHBondContact OD1-CE 3.46Å; D1164-K1166 IonicContact OD1-NZ 3.35Å; D1164-K1166 PolarHBondContact OD1-NZ 3.16Å; D1164-K1166 IonicContact OD2-NZ 2.94Å; D1164-K1166 PolarHBondContact OD2-NZ 3.49Å
1165	L	98	Very high	91.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.6	178.1	-59.8	174.4	0	0	0	110.3	T957 F959 K986 L988 F1010 W1112 L1152 F1162 S1163	T957-L1165 HydrophobicContact CG2-CB 4.15Å; T957-L1165 VanDerWaalsContact CG2-O 3.22Å; T957-L1165 WeakPolarHBondContact CG2-O 3.11Å; F959-L1165 HydrophobicContact CD2-CB 4.46Å; F959-L1165 HydrophobicContact CD2-CD1 3.76Å; F959-L1165 HydrophobicContact CE2-CB 4.36Å; F959-L1165 HydrophobicContact CE2-CD1 4.11Å; F959-L1165 HydrophobicContact CG-CD1 4.48Å; K986-L1165 WeakPolarHBondContact O-CB 3.2Å; K986-L1165 WeakPolarHBondContact O-CG 3.48Å; K986-L1165 PolarHBondContact O-N 2.86Å; L988-L1165 HydrophobicContact CD1-CD1 4.05Å; F1010-L1165 HydrophobicContact CE2-CD2 4.42Å; F1010-L1165 HydrophobicContact CZ-CD2 4.28Å; W1112-L1165 HydrophobicContact CH2-CD2 3.63Å; W1112-L1165 HydrophobicContact CZ2-CD2 3.66Å; L1152-L1165 HydrophobicContact CD1-CD1 4Å; L1152-L1165 HydrophobicContact CD2-CD1 4.45Å; L1152-L1165 HydrophobicContact CD2-CD2 4.08Å; F1162-L1165 HydrophobicContact CB-CD2 4.25Å; S1163-L1165 VanDerWaalsContact C-N 3.26Å; S1163-L1165 PolarHBondContact O-N 3.38Å
1166	K	96.4	Very high	91.4	Very high	56 Å²	56	31.8 Å²	31.8	24%	0.243	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	118.4	179.8	-69.6	172.3	-179.3	143.1	0	110.5	F1010 S1011 D1164	F1010-K1166 WeakPolarHBondContact CD2-O 3.45Å; S1011-K1166 PolarHBondContact N-O 2.67Å; S1011-K1166 PolarHBondContact O-N 3.2Å; D1164-K1166 PolarHBondContact O-N 3.17Å; D1164-K1166 WeakPolarHBondContact OD1-CE 3.46Å; D1164-K1166 IonicContact OD1-NZ 3.35Å; D1164-K1166 PolarHBondContact OD1-NZ 3.16Å; D1164-K1166 IonicContact OD2-NZ 2.94Å; D1164-K1166 PolarHBondContact OD2-NZ 3.49Å
1167	Y	97.5	Very high	91.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	155.4	163.2	45.6	-107.1	0	0	0	111.4	V947 I954 E956 T957 D958 F959 D1003 F1005 D1009 F1010 L1150	V947-Y1167 WeakPolarHBondContact CB-O 3.35Å; V947-Y1167 WeakPolarHBondContact CG1-O 3.36Å; V947-Y1167 HydrophobicContact CG2-CD2 4.26Å; V947-Y1167 HydrophobicContact CG2-CE2 4.23Å; I954-Y1167 HydrophobicContact CG2-CE2 3.89Å; E956-Y1167 PolarHBondContact O-OH 3.25Å; T957-Y1167 VanDerWaalsContact CA-CZ 3.5Å; T957-Y1167 HydrophobicContact CG2-CD1 3.69Å; T957-Y1167 HydrophobicContact CG2-CE1 3.54Å; T957-Y1167 HydrophobicContact CG2-CG 4.33Å; T957-Y1167 PolarHBondContact OG1-N 2.85Å; T957-Y1167 PolarHBondContact OG1-O 3.4Å; D958-Y1167 PolarHBondContact N-OH 3.27Å; F959-Y1167 HydrophobicContact CD2-CE1 4.32Å; F959-Y1167 AromaticContact CE2-CD1 3.88Å; F959-Y1167 HydrophobicContact CE2-CD1 3.88Å; F959-Y1167 AromaticContact CE2-CE1 3.56Å; F959-Y1167 HydrophobicContact CE2-CE1 3.56Å; F959-Y1167 HydrophobicContact CZ-CD1 4.05Å; F959-Y1167 AromaticContact CZ-CE1 3.79Å; F959-Y1167 HydrophobicContact CZ-CE1 3.79Å; D1003-Y1167 VanDerWaalsContact CG-OH 3.32Å; D1003-Y1167 PolarHBondContact OD2-OH 3.46Å; F1005-Y1167 AromaticContact CE1-CD2 3.64Å; F1005-Y1167 HydrophobicContact CE1-CD2 3.64Å; F1005-Y1167 AromaticContact CE1-CE2 3.98Å; F1005-Y1167 HydrophobicContact CE1-CE2 3.98Å; F1005-Y1167 HydrophobicContact CE1-CG 4.19Å; F1005-Y1167 HydrophobicContact CZ-CD1 4.21Å; F1005-Y1167 AromaticContact CZ-CD2 3.45Å; F1005-Y1167 HydrophobicContact CZ-CD2 3.45Å; F1005-Y1167 VanDerWaalsContact CZ-CD2 3.45Å; F1005-Y1167 HydrophobicContact CZ-CE1 4.24Å; F1005-Y1167 AromaticContact CZ-CE2 3.5Å; F1005-Y1167 HydrophobicContact CZ-CE2 3.5Å; F1005-Y1167 VanDerWaalsContact CZ-CE2 3.5Å; F1005-Y1167 AromaticContact CZ-CG 3.81Å; F1005-Y1167 HydrophobicContact CZ-CG 3.81Å; F1005-Y1167 AromaticContact CZ-CZ 3.89Å; D1009-Y1167 CarbonylContact O-C 3.39Å; D1009-Y1167 VanDerWaalsContact O-CA 3.32Å; D1009-Y1167 WeakPolarHBondContact O-CA 3.26Å; F1010-Y1167 HydrophobicContact CD2-CD1 4.35Å; F1010-Y1167 HydrophobicContact CE2-CD1 4.42Å; L1150-Y1167 HydrophobicContact CD1-CD1 3.57Å; L1150-Y1167 HydrophobicContact CD1-CE1 4.43Å; L1150-Y1167 HydrophobicContact CD1-CG 3.82Å
1168	E	95	Very high	90.9	Very high	38 Å²	38	35.8 Å²	35.8	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.9	172.8	-67	178.3	-135.3	0	0	110.3	R677 V947 V1008 D1009 R1170	R677-E1168 IonicContact CZ-OE1 3.85Å; R677-E1168 IonicContact NH2-OE1 3.69Å; R677-E1168 PolarHBondContact NH2-OE1 2.64Å; R677-E1168 IonicContact NH2-OE2 3.73Å; R677-E1168 PolarHBondContact NH2-OE2 2.83Å; V947-E1168 CarbonylContact O-C 3.49Å; V947-E1168 VanDerWaalsContact O-CA 3.27Å; V947-E1168 WeakPolarHBondContact O-CA 3.32Å; V1008-E1168 WeakPolarHBondContact CA-O 3.35Å; D1009-E1168 PolarHBondContact N-O 3.31Å; D1009-E1168 PolarHBondContact O-N 2.77Å; E1168-R1170 HydrophobicContact CB-CG 4.26Å; E1168-R1170 IonicContact OE2-CZ 3.08Å; E1168-R1170 IonicContact OE2-NE 3.89Å; E1168-R1170 PolarHBondContact OE2-NE 3.4Å; E1168-R1170 IonicContact OE2-NH2 3.28Å; E1168-R1170 PolarHBondContact OE2-NH2 2.88Å
1169	C	94.1	Very high	90.6	Very high	35 Å²	35	35.6 Å²	35.6	24%	0.236	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.4	171.7	-65.9	0	0	0	0	110.3	V947 C948	V947-C1169 PolarHBondContact O-N 3.23Å; C948-C1169 HydrophobicContact CB-CB 3.6Å; C948-C1169 WeakPolarHBondContact CB-SG 3.36Å; C948-C1169 WeakPolarHBondContact SG-CB 3.03Å; C948-C1169 PolarHBondContact SG-N 3.05Å; C948-C1169 VanDerWaalsContact SG-N 3.38Å; C948-C1169 CovalentContact SG-SG 2.03Å; C948-C1169 PolarHBondContact SG-SG 2.85Å
1170	R	85.9	Confident	90.2	Very high	47 Å²	47	34.3 Å²	34.3	18%	0.177	19%	0.185	C	C	.	.			trans	-148.7	80.8	-170.5	-68.8	-64.2	-176.8	176.2	-4.9	111.9	Y667 A1007 D1009 R1117 E1168 T1172	Y667-R1170 PolarHBondContact O-NH1 3.33Å; A1007-R1170 VanDerWaalsContact CB-O 3.29Å; A1007-R1170 WeakPolarHBondContact CB-O 3.29Å; A1007-R1170 PolarHBondContact O-N 2.95Å; D1009-R1170 HydrophobicContact CB-CG 4.38Å; R1117-R1170 WeakPolarHBondContact CD-O 3.46Å; R1117-R1170 VanDerWaalsContact CZ-CB 3.48Å; R1117-R1170 PolarHBondContact NE-O 2.86Å; E1168-R1170 HydrophobicContact CB-CG 4.26Å; E1168-R1170 IonicContact OE2-CZ 3.08Å; E1168-R1170 IonicContact OE2-NE 3.89Å; E1168-R1170 PolarHBondContact OE2-NE 3.4Å; E1168-R1170 IonicContact OE2-NH2 3.28Å; E1168-R1170 PolarHBondContact OE2-NH2 2.88Å; R1170-T1172 VanDerWaalsContact C-N 3.29Å; R1170-T1172 PolarHBondContact O-N 3.05Å
1171	D	69.5	Low	89.5	Confident	86 Å²	86	37.2 Å²	37.2	46%	0.46	20%	0.2	S	C	.	.			trans	-78	-4.1	-179.2	-99.1	-77	0	0	0	116.2	A1007 K1119	A1007-D1171 HydrophobicContact CB-CB 4.48Å; K1119-D1171 WeakPolarHBondContact CD-OD1 3.48Å; K1119-D1171 WeakPolarHBondContact CE-OD1 3.06Å; K1119-D1171 IonicContact NZ-OD1 2.87Å; K1119-D1171 PolarHBondContact NZ-OD1 3.04Å
1172	T	46.6	Very low	88.7	Confident	170 Å²	170	40.2 Å²	40.2	100%	1.043	22%	0.217	S	C	*	.			trans	-99.6	0	-178.9	68.3	0	0	0	0	114.4	R1117 R1170	R1117-T1172 PolarHBondContact NE-O 3.15Å; R1170-T1172 VanDerWaalsContact C-N 3.29Å; R1170-T1172 PolarHBondContact O-N 3.05Å

Retrieved 1,172 of 1,172 residues in 1923.3 ms (Link to these results)

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