A0A077YYU4_TRITR Loading...

PDZ and FERM M and FERM N and FERM C domain conta ining protein

AlphaFold DB , UniProt , Accession A0A077YYU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 937 aa.

						>A0A077YYU4_TRITR|A0A077YYU4
MSYRLQRKLFCKIRDGNVLVVLLNGQRVDVACKINCTALDIFEVVCTHTNLVERHFFGLTYLKDGEYFFLEPEQKIYRFAPPGWRHQAGENARVAFCLYLRLKFYPVVLDFVKTELTMYHIYLQLRHDIMDERLQCEQESAYQLAALALQAEVGDRPSQELYFEPQSYLPPAFLKQENIDRIRARLAQMHFRHAGKSSQVAEVEYVKMCQTLREFGIHFYRLYRTKPSHMLTPSPLGDPDTGVPLWIGIMNRGLVIFEEKGGFRIPLSHHPWHLTQTLQFDHKKFYIVARKSQNGLTLNKLTFFTDSYRKSSYFVNFAAAQHRFCMKMRTWASTLPKERRSGRCADSTESSALTDPQGLRLRLKHKPKLELLEQIIIEQNESVISIDQWNDLYSFLIEGEWATGSCLALRVHCFRDSTGAVANSSRRPHSDMPQPPNGAHQERPVDVVSACSATLPRPAVPSRRAKMANDSNGQPNKISFLSQDSGHSVSALTNDKTFSDSVSNMKASFVDSEYDIVSATLVKDPRYGLGLTLVDGEIQGLKGVYIRSMTVGGPAELDGRLKIGDKVTAINDKSLDGRSRLDAVNMVRESDASVSLRVLRLRCLYSSDESIDTAGANDDKKKRWSMDLSLNALNLSLKNELSSTPLRSAEEHAIDLANCSTMYSSLYNYSDSEEEASSNEEKTTATSAAVINNRVEPQNVVIPSVSQDSLLNRFRDKDGFGDIDWTNSIAYDAKWNENEVDLVEVVLEKNENGNLGIQVAGGKGQKRVYVKCIVGEPALSCPHIRPGDRLAMVNGQSTEGLSHADAVTLLRNAKSPVVLRLWRSRSQQNMQNGDEPPSEYCHSSIFKHEEKPRTLQVVLNKAESQPLGLSLGKPVTGAGIFIRSISPGSVAAIDGRLRVGDKICMIADEFISDLNPADVVQKLKAAAGSVRLTIERF
					

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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	27	Very low	28	Very low	249 Å²	249	196.8 Å²	196.8	100%	1.227	92%	0.924	S	S	*	*				0	38.2	0	-78.3	-173.1	167.1	0	0	112.9
2	S	29.1	Very low	27.8	Very low	115 Å²	115	197.5 Å²	197.5	80%	0.804	92%	0.921	S	S	*	*			trans	-123.9	55.5	-162.2	-151	0	0	0	0	114.8
3	Y	26	Very low	27.7	Very low	236 Å²	236	192.9 Å²	192.9	93%	0.925	91%	0.905	S	S	*	*			trans	-122.9	32.3	175.4	-81.1	-79.8	0	0	0	112.8
4	R	30	Very low	27.7	Very low	244 Å²	244	195.3 Å²	195.3	92%	0.921	90%	0.901	S	S	*	*			trans	-133	13.6	-172.2	-102.1	-174	-177.2	-178.6	2	118.4
5	L	29.2	Very low	29.1	Very low	180 Å²	180	186 Å²	186	94%	0.942	86%	0.861	S	S	*	*			trans	-112.5	17.5	-180	-103.8	131.6	0	0	0	115.9
6	Q	29.2	Very low	30.7	Very low	197 Å²	197	175.2 Å²	175.2	92%	0.921	82%	0.816	S	S	*	*	S	Bend	trans	-91.9	12.5	-178	-106.6	-178	-13.1	0	0	116.3
7	R	28.2	Very low	33.3	Very low	238 Å²	238	168.5 Å²	168.5	90%	0.898	79%	0.787	S	S	*	*			trans	-143.7	83.8	179.6	-75.5	-173.4	175.6	-169.9	-1	112.1
8	K	27.7	Very low	36.3	Very low	203 Å²	203	159.2 Å²	159.2	88%	0.883	74%	0.743	S	S	*	*			trans	-173.2	62.1	156	-106.3	169.4	-173.4	-174.6	0	112.2
9	L	29	Very low	39.2	Very low	162 Å²	162	152.1 Å²	152.1	85%	0.848	71%	0.711	S	S	*	*			trans	-149.1	50.5	157.4	-104.6	133.9	0	0	0	109.1
10	F	26	Very low	41.8	Very low	214 Å²	214	144.5 Å²	144.5	94%	0.939	68%	0.676	S	S	*	*			trans	-131.5	87.5	163.9	-89.8	-84.3	0	0	0	107
11	C	26.8	Very low	44.2	Very low	127 Å²	127	138.9 Å²	138.9	86%	0.858	65%	0.651	S	S	*	*			trans	-111.1	115.7	160.2	-108.8	0	0	0	0	107.2	I13	C11-I13 PolarHBondContact O-N 2.69Å
12	K	25	Very low	47.3	Very low	205 Å²	205	127.3 Å²	127.3	89%	0.891	59%	0.594	S	S	*	*			trans	-37.2	120.8	170.9	-71.9	170.1	170.2	177.1	0	112.1
13	I	26.4	Very low	50.3	Low	138 Å²	138	122.2 Å²	122.2	71%	0.708	56%	0.558	S	S	*	*			trans	-178.9	124.4	134.8	-80.3	144.6	0	0	0	104.5	C11 D15	C11-I13 PolarHBondContact O-N 2.69Å; I13-D15 VanDerWaalsContact CG2-OD2 3.27Å; I13-D15 WeakPolarHBondContact CG2-OD2 3.22Å; I13-D15 PolarHBondContact O-N 3.39Å
14	R	28.2	Very low	53.2	Low	226 Å²	226	114 Å²	114	85%	0.853	53%	0.53	S	S	*	.			trans	-69.3	111.9	-177.3	-69.3	172.1	177.7	166.3	-2.3	108.1	Q87	R14-Q87 VanDerWaalsContact C-NE2 3.26Å; R14-Q87 PolarHBondContact O-NE2 2.89Å; R14-Q87 PolarHBondContact O-OE1 3.43Å
15	D	48.7	Very low	55.8	Low	56 Å²	56	104.3 Å²	104.3	30%	0.299	51%	0.507	S	S	.	.			trans	-157.8	133.2	177.1	-81.2	-40.2	0	0	0	109.8	I13 C32 I34 Q87	I13-D15 VanDerWaalsContact CG2-OD2 3.27Å; I13-D15 WeakPolarHBondContact CG2-OD2 3.22Å; I13-D15 PolarHBondContact O-N 3.39Å; D15-C32 CarbonylContact C-O 3.4Å; D15-I34 HydrophobicContact CB-CG1 4.28Å; D15-Q87 PolarHBondContact OD1-NE2 3.28Å
16	G	55.4	Low	58.4	Low	13 Å²	13	98.9 Å²	98.9	13%	0.134	48%	0.476	C	S	.	.			trans	45.8	111.2	169.2	0	0	0	0	0	121	C32	G16-C32 PolarHBondContact O-N 3.3Å; G16-C32 VanDerWaalsContact O-O 3.07Å
17	N	74.6	Confident	61.1	Low	62 Å²	62	98.3 Å²	98.3	33%	0.332	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.5	162.8	-72.7	-1.6	0	0	0	110.3	W84	N17-W84 PolarHBondContact O-NE1 3.1Å
18	V	87.7	Confident	63.8	Low	0 Å²	0	88 Å²	88	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.9	169.6	179.7	0	0	0	0	108.6	V20 V30 I41 I76 W84 F96 L98	V18-V20 HydrophobicContact CG1-CG2 4.46Å; V18-V30 PolarHBondContact N-O 3.5Å; V18-V30 PolarHBondContact O-N 3.45Å; V18-I41 HydrophobicContact CB-CD1 3.95Å; V18-I41 HydrophobicContact CG1-CD1 3.88Å; V18-I41 HydrophobicContact CG2-CD1 3.86Å; V18-I76 HydrophobicContact CG2-CD1 3.73Å; V18-W84 HydrophobicContact CG2-CH2 4.29Å; V18-W84 HydrophobicContact CG2-CZ2 3.53Å; V18-F96 HydrophobicContact CG1-CD1 4.29Å; V18-F96 HydrophobicContact CG1-CG 4.48Å; V18-F96 WeakPolarHBondContact CG1-O 3.23Å; V18-F96 HydrophobicContact CG2-CB 4.49Å; V18-F96 HydrophobicContact CG2-CD1 3.83Å; V18-F96 HydrophobicContact CG2-CG 4.49Å; V18-L98 HydrophobicContact CG1-CB 4.38Å; V18-L98 HydrophobicContact CG1-CD1 3.68Å; V18-L98 HydrophobicContact CG1-CG 3.77Å
19	L	90.1	Very high	66.7	Low	25 Å²	25	82.3 Å²	82.3	13%	0.131	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117	177.7	-175.8	66.6	0	0	0	109.1	R27 D29 F96 C97 L98	L19-R27 HydrophobicContact CD1-CB 3.79Å; L19-R27 HydrophobicContact CG-CB 4.39Å; L19-D29 WeakPolarHBondContact CD1-OD1 3.23Å; L19-F96 PolarHBondContact N-O 2.77Å; L19-C97 CarbonylContact O-C 3.56Å; L19-C97 VanDerWaalsContact O-CA 3.29Å; L19-C97 WeakPolarHBondContact O-CA 2.85Å; L19-L98 PolarHBondContact O-N 2.82Å
20	V	92.5	Very high	69.5	Low	0 Å²	0	75 Å²	75	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.8	175.8	-172.6	0	0	0	0	110	V18 L22 R27 V28 V30 I41 V45 L59 L98	V18-V20 HydrophobicContact CG1-CG2 4.46Å; V20-L22 HydrophobicContact CG1-CD2 4.16Å; V20-R27 WeakPolarHBondContact O-CA 3.48Å; V20-V28 PolarHBondContact N-O 3.34Å; V20-V28 PolarHBondContact O-N 2.96Å; V20-V30 HydrophobicContact CG2-CG2 3.87Å; V20-I41 HydrophobicContact CG2-CG2 3.74Å; V20-V45 HydrophobicContact CB-CG2 4.06Å; V20-V45 HydrophobicContact CG1-CG1 4.47Å; V20-V45 HydrophobicContact CG1-CG2 3.78Å; V20-V45 HydrophobicContact CG2-CG2 3.88Å; V20-L59 HydrophobicContact CG1-CD2 4.01Å; V20-L98 CarbonylContact C-O 3.49Å; V20-L98 VanDerWaalsContact CA-O 3.29Å; V20-L98 WeakPolarHBondContact CA-O 3.15Å; V20-L98 HydrophobicContact CG2-CB 4.43Å
21	V	91.3	Very high	72.3	Confident	26 Å²	26	68.7 Å²	68.7	16%	0.158	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.7	171.2	-175.6	0	0	0	0	108.7	R27 L98 Y99 L100	V21-R27 HydrophobicContact CG2-CG 4.34Å; V21-L98 PolarHBondContact N-O 3.39Å; V21-Y99 HydrophobicContact CB-CD1 3.68Å; V21-Y99 HydrophobicContact CB-CE1 4.06Å; V21-Y99 HydrophobicContact CB-CG 4.41Å; V21-Y99 HydrophobicContact CG1-CD1 4.14Å; V21-Y99 HydrophobicContact CG1-CE1 4.43Å; V21-Y99 HydrophobicContact CG2-CD1 4.02Å; V21-Y99 HydrophobicContact CG2-CE1 3.9Å; V21-L100 PolarHBondContact O-N 2.79Å
22	L	92.7	Very high	75	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-87.5	166.2	178.3	-56.2	-176	0	0	0	111.2	V20 N24 G25 Q26 V28 V45 T49 L100	V20-L22 HydrophobicContact CG1-CD2 4.16Å; L22-N24 VanDerWaalsContact CB-OD1 3.3Å; L22-N24 WeakPolarHBondContact CB-OD1 3.15Å; L22-N24 PolarHBondContact O-N 3.16Å; L22-G25 PolarHBondContact O-N 3.38Å; L22-Q26 HydrophobicContact CB-CB 4.46Å; L22-Q26 WeakPolarHBondContact CB-O 3.36Å; L22-Q26 HydrophobicContact CD1-CB 4.12Å; L22-Q26 PolarHBondContact N-O 2.76Å; L22-V28 HydrophobicContact CD1-CG2 3.57Å; L22-V28 HydrophobicContact CD2-CG2 4.38Å; L22-V28 HydrophobicContact CG-CG2 3.92Å; L22-V45 HydrophobicContact CD2-CG1 3.61Å; L22-T49 HydrophobicContact CD1-CG2 3.51Å; L22-T49 HydrophobicContact CD2-CG2 3.9Å; L22-T49 HydrophobicContact CG-CG2 4.28Å; L22-L100 HydrophobicContact CD2-CB 4.32Å; L22-L100 HydrophobicContact CD2-CD2 4.06Å
23	L	92.4	Very high	77.8	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.042	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.6	-178.1	-65.8	175.8	0	0	0	114.1	G25 F57 L100 H120 L123 Q124 H127	L23-G25 VanDerWaalsContact C-N 3.28Å; L23-F57 HydrophobicContact CD1-CD1 4Å; L23-F57 HydrophobicContact CD1-CE1 3.67Å; L23-L100 WeakPolarHBondContact CD2-O 3.43Å; L23-L100 HydrophobicContact CG-CD2 4.47Å; L23-L100 HydrophobicContact CG-CG 4.46Å; L23-H120 HydrophobicContact CD1-CB 3.96Å; L23-L123 HydrophobicContact CB-CB 4.31Å; L23-Q124 HydrophobicContact CD1-CB 4.41Å; L23-Q124 HydrophobicContact CD2-CB 3.99Å; L23-Q124 HydrophobicContact CD2-CG 4.48Å; L23-H127 PolarHBondContact O-NE2 2.75Å
24	N	86.3	Confident	80.4	Confident	63 Å²	63	56.2 Å²	56.2	34%	0.337	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	11.5	173	66.4	-3.4	0	0	0	112.8	L22 Q26 L123	L22-N24 VanDerWaalsContact CB-OD1 3.3Å; L22-N24 WeakPolarHBondContact CB-OD1 3.15Å; L22-N24 PolarHBondContact O-N 3.16Å; N24-Q26 PolarHBondContact ND2-OE1 3.39Å; N24-Q26 PolarHBondContact O-N 3Å; N24-Q26 VanDerWaalsContact OD1-CB 3.23Å; N24-Q26 WeakPolarHBondContact OD1-CB 3.35Å; N24-Q26 WeakPolarHBondContact OD1-CG 3.35Å; N24-Q26 PolarHBondContact OD1-N 3.11Å; N24-L123 HydrophobicContact CB-CD1 3.88Å
25	G	83.8	Confident	82.9	Confident	42 Å²	42	50.1 Å²	50.1	43%	0.433	27%	0.272	S	S	.	.	S	Bend	trans	80.6	-11	-177.7	0	0	0	0	0	115.3	L22 L23	L22-G25 PolarHBondContact O-N 3.38Å; L23-G25 VanDerWaalsContact C-N 3.28Å
26	Q	84.3	Confident	84.9	Confident	65 Å²	65	48 Å²	48	30%	0.304	26%	0.261	S	S	.	.			trans	-63.6	140.9	178.8	-68.7	179.6	-27.2	0	0	111.1	L22 N24	L22-Q26 HydrophobicContact CB-CB 4.46Å; L22-Q26 WeakPolarHBondContact CB-O 3.36Å; L22-Q26 HydrophobicContact CD1-CB 4.12Å; L22-Q26 PolarHBondContact N-O 2.76Å; N24-Q26 PolarHBondContact ND2-OE1 3.39Å; N24-Q26 PolarHBondContact O-N 3Å; N24-Q26 VanDerWaalsContact OD1-CB 3.23Å; N24-Q26 WeakPolarHBondContact OD1-CB 3.35Å; N24-Q26 WeakPolarHBondContact OD1-CG 3.35Å; N24-Q26 PolarHBondContact OD1-N 3.11Å
27	R	86.5	Confident	86.8	Confident	186 Å²	186	48.9 Å²	48.9	70%	0.702	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	178.3	-52.5	-173.3	178.7	-173.9	0.9	109.7	L19 V20 V21	L19-R27 HydrophobicContact CD1-CB 3.79Å; L19-R27 HydrophobicContact CG-CB 4.39Å; V20-R27 WeakPolarHBondContact O-CA 3.48Å; V21-R27 HydrophobicContact CG2-CG 4.34Å
28	V	85.4	Confident	87.7	Confident	22 Å²	22	46.2 Å²	46.2	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.8	-176	-177.5	0	0	0	0	109.5	V20 L22 V30	V20-V28 PolarHBondContact N-O 3.34Å; V20-V28 PolarHBondContact O-N 2.96Å; L22-V28 HydrophobicContact CD1-CG2 3.57Å; L22-V28 HydrophobicContact CD2-CG2 4.38Å; L22-V28 HydrophobicContact CG-CG2 3.92Å; V28-V30 HydrophobicContact CG1-CG2 4.19Å; V28-V30 PolarHBondContact O-N 3.48Å
29	D	87.6	Confident	88.1	Confident	83 Å²	83	49.2 Å²	49.2	44%	0.444	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114	170.6	-81.1	-52.4	0	0	0	110.5	L19	L19-D29 WeakPolarHBondContact CD1-OD1 3.23Å
30	V	87.7	Confident	88.3	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.5	175.8	-176.5	0	0	0	0	108.8	V18 V20 V28 I41 V44	V18-V30 PolarHBondContact N-O 3.5Å; V18-V30 PolarHBondContact O-N 3.45Å; V20-V30 HydrophobicContact CG2-CG2 3.87Å; V28-V30 HydrophobicContact CG1-CG2 4.19Å; V28-V30 PolarHBondContact O-N 3.48Å; V30-I41 HydrophobicContact CG1-CG2 4.35Å; V30-I41 HydrophobicContact CG2-CG2 4.37Å; V30-V44 HydrophobicContact CG1-CB 4.37Å; V30-V44 HydrophobicContact CG1-CG1 4.16Å; V30-V44 HydrophobicContact CG2-CG1 4.25Å
31	A	84.4	Confident	88.4	Confident	82 Å²	82	51.6 Å²	51.6	68%	0.678	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.1	171.1	0	0	0	0	0	109.5
32	C	83	Confident	88.6	Confident	20 Å²	20	51.4 Å²	51.4	14%	0.135	28%	0.277	C	S	.	.			trans	-151.5	151.7	-173	65.9	0	0	0	0	112.6	D15 G16 C36	D15-C32 CarbonylContact C-O 3.4Å; G16-C32 PolarHBondContact O-N 3.3Å; G16-C32 VanDerWaalsContact O-O 3.07Å; C32-C36 HydrophobicContact CB-CB 4.4Å; C32-C36 VanDerWaalsContact CB-SG 3.54Å
33	K	83.8	Confident	88.7	Confident	139 Å²	139	55.1 Å²	55.1	60%	0.604	29%	0.294	S	S	*	.			trans	-63.9	146.2	173.4	-62.4	-178.7	-180	178.9	0	109.9	N35 C36	K33-N35 VanDerWaalsContact CB-OD1 3.26Å; K33-N35 WeakPolarHBondContact CB-OD1 3.42Å; K33-N35 PolarHBondContact O-N 3.19Å; K33-C36 WeakPolarHBondContact O-CB 3.5Å; K33-C36 PolarHBondContact O-N 3.47Å; K33-C36 PolarHBondContact O-SG 2.9Å
34	I	81.2	Confident	88.7	Confident	48 Å²	48	57.6 Å²	57.6	25%	0.246	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.2	179.4	-63.6	168.7	0	0	0	111.9	D15 Y77 W84 R85	D15-I34 HydrophobicContact CB-CG1 4.28Å; I34-Y77 WeakPolarHBondContact O-CB 3.15Å; I34-Y77 WeakPolarHBondContact O-CD1 3.16Å; I34-W84 HydrophobicContact CB-CZ3 4.46Å; I34-W84 HydrophobicContact CG1-CZ3 4.49Å; I34-W84 HydrophobicContact CG2-CZ3 4.14Å; I34-R85 HydrophobicContact CG2-CG 4.14Å
35	N	82	Confident	88.9	Confident	99 Å²	99	54.6 Å²	54.6	53%	0.529	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.8	-177.9	69.1	-22.4	0	0	0	114.9	K33	K33-N35 VanDerWaalsContact CB-OD1 3.26Å; K33-N35 WeakPolarHBondContact CB-OD1 3.42Å; K33-N35 PolarHBondContact O-N 3.19Å
36	C	89.6	Confident	89.3	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.068	28%	0.276	C	S	.	.			trans	-64	159.1	179.3	72.5	0	0	0	0	112.2	C32 K33 D40 K75 I76	C32-C36 HydrophobicContact CB-CB 4.4Å; C32-C36 VanDerWaalsContact CB-SG 3.54Å; K33-C36 WeakPolarHBondContact O-CB 3.5Å; K33-C36 PolarHBondContact O-N 3.47Å; K33-C36 PolarHBondContact O-SG 2.9Å; C36-D40 HydrophobicContact CB-CB 4.15Å; C36-K75 WeakPolarHBondContact O-CA 3.31Å; C36-I76 WeakPolarHBondContact O-CG1 3.34Å; C36-I76 PolarHBondContact O-N 2.62Å; C36-I76 WeakPolarHBondContact SG-CD1 3.41Å; C36-I76 WeakPolarHBondContact SG-CG1 3.39Å
37	T	95.1	Very high	89.6	Confident	33 Å²	33	55.6 Å²	55.6	20%	0.202	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-94.4	161.3	179.8	64	0	0	0	0	110.8	L39 D40 I41 P72 Q74	T37-L39 PolarHBondContact O-N 3.2Å; T37-D40 PolarHBondContact N-OD2 2.67Å; T37-D40 PolarHBondContact O-N 3.38Å; T37-D40 PolarHBondContact OG1-N 3.38Å; T37-D40 PolarHBondContact OG1-OD2 2.91Å; T37-I41 PolarHBondContact O-N 3.34Å; T37-P72 WeakPolarHBondContact CB-O 3.49Å; T37-Q74 CarbonylContact C-O 3.6Å; T37-Q74 WeakPolarHBondContact CA-O 3.25Å
38	A	94.9	Very high	89.7	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-34.1	172.5	0	0	0	0	0	111.4	I41 F42 L70 Q74	A38-I41 PolarHBondContact O-N 3.07Å; A38-F42 VanDerWaalsContact O-CB 3.3Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 PolarHBondContact O-N 3.13Å; A38-L70 HydrophobicContact CB-CB 3.71Å; A38-L70 HydrophobicContact CB-CD1 4.14Å; A38-Q74 PolarHBondContact N-O 2.59Å
39	L	95.5	Very high	89.8	Confident	63 Å²	63	51.8 Å²	51.8	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-45.8	174.4	-176.7	59.9	0	0	0	112.2	T37 I41 F42 E43 P72	T37-L39 PolarHBondContact O-N 3.2Å; L39-I41 VanDerWaalsContact C-N 3.28Å; L39-I41 PolarHBondContact O-N 3.29Å; L39-F42 PolarHBondContact O-N 2.73Å; L39-F42 VanDerWaalsContact O-N 3.08Å; L39-E43 HydrophobicContact CD1-CG 4.07Å; L39-E43 HydrophobicContact CG-CG 4.36Å; L39-E43 WeakPolarHBondContact O-CG 3.43Å; L39-E43 PolarHBondContact O-N 3.26Å; L39-P72 HydrophobicContact CB-CB 3.98Å; L39-P72 WeakPolarHBondContact CB-O 3.31Å; L39-P72 HydrophobicContact CD1-CB 4.41Å; L39-P72 PolarHBondContact N-O 2.88Å
40	D	94.9	Very high	89.9	Confident	75 Å²	75	53.3 Å²	53.3	40%	0.401	29%	0.293	S	S	.	.	H	α-helix	trans	-57.8	-42.8	-179.3	-61	-46.4	0	0	0	111.4	C36 T37 V44	C36-D40 HydrophobicContact CB-CB 4.15Å; T37-D40 PolarHBondContact N-OD2 2.67Å; T37-D40 PolarHBondContact O-N 3.38Å; T37-D40 PolarHBondContact OG1-N 3.38Å; T37-D40 PolarHBondContact OG1-OD2 2.91Å; D40-V44 WeakPolarHBondContact O-CG2 3.22Å; D40-V44 PolarHBondContact O-N 2.9Å
41	I	94	Very high	89.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-45	175.6	-59.8	-168.7	0	0	0	110.6	V18 V20 V30 T37 A38 L39 E43 V44 V45 L59 I76 L98	V18-I41 HydrophobicContact CB-CD1 3.95Å; V18-I41 HydrophobicContact CG1-CD1 3.88Å; V18-I41 HydrophobicContact CG2-CD1 3.86Å; V20-I41 HydrophobicContact CG2-CG2 3.74Å; V30-I41 HydrophobicContact CG1-CG2 4.35Å; V30-I41 HydrophobicContact CG2-CG2 4.37Å; T37-I41 PolarHBondContact O-N 3.34Å; A38-I41 PolarHBondContact O-N 3.07Å; L39-I41 VanDerWaalsContact C-N 3.28Å; L39-I41 PolarHBondContact O-N 3.29Å; I41-E43 VanDerWaalsContact C-N 3.28Å; I41-E43 PolarHBondContact O-N 3.27Å; I41-V44 WeakPolarHBondContact O-CB 3.26Å; I41-V44 PolarHBondContact O-N 3.1Å; I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.16Å; I41-V45 PolarHBondContact O-N 3.2Å; I41-L59 HydrophobicContact CB-CD1 3.8Å; I41-L59 HydrophobicContact CG2-CD1 3.58Å; I41-I76 HydrophobicContact CD1-CB 4.47Å; I41-I76 HydrophobicContact CD1-CD1 4.06Å; I41-I76 HydrophobicContact CD1-CG2 3.71Å; I41-I76 HydrophobicContact CG1-CG2 4.3Å; I41-L98 HydrophobicContact CD1-CD1 4.01Å; I41-L98 HydrophobicContact CG2-CD1 4.44Å
42	F	95.7	Very high	90.1	Very high	22 Å²	22	54.4 Å²	54.4	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-35.9	-176.8	-175.9	-115.9	0	0	0	112.4	A38 L39 V45 C46 R54 F57 L59 L100	A38-F42 VanDerWaalsContact O-CB 3.3Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 PolarHBondContact O-N 3.13Å; L39-F42 PolarHBondContact O-N 2.73Å; L39-F42 VanDerWaalsContact O-N 3.08Å; F42-V45 PolarHBondContact O-N 3.38Å; F42-C46 VanDerWaalsContact CE1-SG 3.59Å; F42-C46 WeakPolarHBondContact CZ-SG 3.24Å; F42-C46 WeakPolarHBondContact O-CB 3.48Å; F42-C46 PolarHBondContact O-N 3.41Å; F42-C46 PolarHBondContact O-SG 2.85Å; F42-R54 HydrophobicContact CE1-CB 4.02Å; F42-R54 HydrophobicContact CZ-CB 4.12Å; F42-F57 HydrophobicContact CE2-CB 4.08Å; F42-F57 HydrophobicContact CZ-CB 4.06Å; F42-L59 HydrophobicContact CB-CD1 3.89Å; F42-L59 HydrophobicContact CB-CG 4.14Å; F42-L59 HydrophobicContact CD2-CD2 4.2Å; F42-L59 HydrophobicContact CD2-CG 3.88Å; F42-L59 HydrophobicContact CG-CG 4.46Å; F42-L100 HydrophobicContact CD2-CD1 4.29Å; F42-L100 HydrophobicContact CE2-CD1 3.76Å
43	E	94.1	Very high	90.5	Very high	84 Å²	84	53.9 Å²	53.9	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-39.9	175.4	-71.3	-166.9	151	0	0	112.7	L39 I41 V45 C46 T47 R54	L39-E43 HydrophobicContact CD1-CG 4.07Å; L39-E43 HydrophobicContact CG-CG 4.36Å; L39-E43 WeakPolarHBondContact O-CG 3.43Å; L39-E43 PolarHBondContact O-N 3.26Å; I41-E43 VanDerWaalsContact C-N 3.28Å; I41-E43 PolarHBondContact O-N 3.27Å; E43-V45 VanDerWaalsContact C-N 3.33Å; E43-C46 PolarHBondContact O-N 3.4Å; E43-T47 WeakPolarHBondContact O-CB 3.35Å; E43-T47 PolarHBondContact O-N 2.93Å; E43-T47 PolarHBondContact O-OG1 3.43Å; E43-R54 IonicContact OE1-NH1 3.3Å
44	V	92	Very high	90.9	Very high	60 Å²	60	52.9 Å²	52.9	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-44.9	173.6	175.2	0	0	0	0	110.2	V30 D40 I41 T47 H48	V30-V44 HydrophobicContact CG1-CB 4.37Å; V30-V44 HydrophobicContact CG1-CG1 4.16Å; V30-V44 HydrophobicContact CG2-CG1 4.25Å; D40-V44 WeakPolarHBondContact O-CG2 3.22Å; D40-V44 PolarHBondContact O-N 2.9Å; I41-V44 WeakPolarHBondContact O-CB 3.26Å; I41-V44 PolarHBondContact O-N 3.1Å; V44-T47 PolarHBondContact O-N 2.92Å; V44-H48 WeakPolarHBondContact O-CB 3.2Å; V44-H48 PolarHBondContact O-N 3.05Å
45	V	92.4	Very high	91.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-49.9	178.7	173	0	0	0	0	111.2	V20 L22 I41 F42 E43 T47 H48 T49 L100	V20-V45 HydrophobicContact CB-CG2 4.06Å; V20-V45 HydrophobicContact CG1-CG1 4.47Å; V20-V45 HydrophobicContact CG1-CG2 3.78Å; V20-V45 HydrophobicContact CG2-CG2 3.88Å; L22-V45 HydrophobicContact CD2-CG1 3.61Å; I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.16Å; I41-V45 PolarHBondContact O-N 3.2Å; F42-V45 PolarHBondContact O-N 3.38Å; E43-V45 VanDerWaalsContact C-N 3.33Å; V45-T47 VanDerWaalsContact C-N 3.26Å; V45-T47 PolarHBondContact O-N 3.06Å; V45-H48 WeakPolarHBondContact O-CB 3.36Å; V45-H48 PolarHBondContact O-N 2.85Å; V45-H48 VanDerWaalsContact O-N 3.09Å; V45-T49 HydrophobicContact CG1-CG2 4.47Å; V45-T49 PolarHBondContact O-N 3.07Å; V45-T49 PolarHBondContact O-OG1 2.94Å; V45-L100 HydrophobicContact CG1-CD1 4.24Å; V45-L100 HydrophobicContact CG1-CD2 4.07Å
46	C	92.3	Very high	91.9	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.068	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-37	179.1	-67.8	0	0	0	0	112.4	F42 E43 N50 L51	F42-C46 VanDerWaalsContact CE1-SG 3.59Å; F42-C46 WeakPolarHBondContact CZ-SG 3.24Å; F42-C46 WeakPolarHBondContact O-CB 3.48Å; F42-C46 PolarHBondContact O-N 3.41Å; F42-C46 PolarHBondContact O-SG 2.85Å; E43-C46 PolarHBondContact O-N 3.4Å; C46-N50 WeakPolarHBondContact O-CA 3.19Å; C46-N50 PolarHBondContact O-N 3.02Å; C46-L51 HydrophobicContact CB-CB 4.45Å; C46-L51 PolarHBondContact O-N 2.91Å
47	T	90.6	Very high	92.2	Very high	117 Å²	117	49.1 Å²	49.1	72%	0.718	26%	0.256	S	S	*	.	H	α-helix	trans	-68.3	-40	176.3	-55	0	0	0	0	111.2	E43 V44 V45	E43-T47 WeakPolarHBondContact O-CB 3.35Å; E43-T47 PolarHBondContact O-N 2.93Å; E43-T47 PolarHBondContact O-OG1 3.43Å; V44-T47 PolarHBondContact O-N 2.92Å; V45-T47 VanDerWaalsContact C-N 3.26Å; V45-T47 PolarHBondContact O-N 3.06Å
48	H	88.2	Confident	92.3	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.505	25%	0.25	S	C	.	.	H	α-helix	trans	-66.9	-39.7	177.6	-178.5	81.1	0	0	0	112.5	V44 V45	V44-H48 WeakPolarHBondContact O-CB 3.2Å; V44-H48 PolarHBondContact O-N 3.05Å; V45-H48 WeakPolarHBondContact O-CB 3.36Å; V45-H48 PolarHBondContact O-N 2.85Å; V45-H48 VanDerWaalsContact O-N 3.09Å
49	T	86.6	Confident	92.4	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.117	25%	0.249	C	C	.	.	H	α-helix	trans	-90.7	-2.4	-178	56.8	0	0	0	0	114.2	L22 V45 L51	L22-T49 HydrophobicContact CD1-CG2 3.51Å; L22-T49 HydrophobicContact CD2-CG2 3.9Å; L22-T49 HydrophobicContact CG-CG2 4.28Å; V45-T49 HydrophobicContact CG1-CG2 4.47Å; V45-T49 PolarHBondContact O-N 3.07Å; V45-T49 PolarHBondContact O-OG1 2.94Å; T49-L51 PolarHBondContact O-N 2.74Å; T49-L51 WeakPolarHBondContact OG1-CD1 3.44Å; T49-L51 WeakPolarHBondContact OG1-CG 3.4Å
50	N	89.6	Confident	92.5	Very high	115 Å²	115	44.8 Å²	44.8	62%	0.615	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.5	-173.7	-164.9	34.8	0	0	0	113.7	C46 V52 L116	C46-N50 WeakPolarHBondContact O-CA 3.19Å; C46-N50 PolarHBondContact O-N 3.02Å; N50-V52 PolarHBondContact O-N 3.16Å; N50-V52 VanDerWaalsContact O-N 3.11Å; N50-L116 HydrophobicContact CB-CD2 4.05Å; N50-L116 VanDerWaalsContact O-CD2 3.28Å; N50-L116 WeakPolarHBondContact O-CD2 3.45Å
51	L	87.5	Confident	92.5	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	22%	0.222	C	C	.	.			trans	-76.1	99.2	179.1	-76.3	172.2	0	0	0	111.1	C46 T49 F57 L100	C46-L51 HydrophobicContact CB-CB 4.45Å; C46-L51 PolarHBondContact O-N 2.91Å; T49-L51 PolarHBondContact O-N 2.74Å; T49-L51 WeakPolarHBondContact OG1-CD1 3.44Å; T49-L51 WeakPolarHBondContact OG1-CG 3.4Å; L51-F57 HydrophobicContact CD1-CD2 4.29Å; L51-F57 HydrophobicContact CD1-CE2 4.46Å; L51-F57 HydrophobicContact CD1-CG 4.47Å; L51-F57 HydrophobicContact CD2-CD2 4.43Å; L51-F57 HydrophobicContact CD2-CE2 3.85Å; L51-F57 HydrophobicContact CD2-CZ 4.12Å; L51-L100 HydrophobicContact CD1-CD2 3.79Å
52	V	89.1	Confident	92.4	Very high	104 Å²	104	46.7 Å²	46.7	63%	0.63	24%	0.24	S	C	*	.	S	Bend	trans	-73.4	-45	177.8	-179.3	0	0	0	0	111.4	N50 R54	N50-V52 PolarHBondContact O-N 3.16Å; N50-V52 VanDerWaalsContact O-N 3.11Å; V52-R54 PolarHBondContact O-N 3.11Å
53	E	90.9	Very high	91.9	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.042	25%	0.251	C	S	.	.			trans	-87.6	49.6	-176.4	-58.4	175.9	91.8	0	0	111.7	H55 F56 K113 T114 T117	E53-H55 PolarHBondContact O-N 2.85Å; E53-F56 HydrophobicContact CB-CD2 4.03Å; E53-F56 HydrophobicContact CB-CE2 4.19Å; E53-F56 PolarHBondContact O-N 3.38Å; E53-K113 VanDerWaalsContact CD-N 3.31Å; E53-K113 WeakPolarHBondContact OE1-CB 3.34Å; E53-K113 PolarHBondContact OE1-N 2.86Å; E53-K113 PolarHBondContact OE2-N 3.2Å; E53-K113 VanDerWaalsContact OE2-N 3.13Å; E53-T114 WeakPolarHBondContact OE2-CB 3.29Å; E53-T114 PolarHBondContact OE2-N 3.04Å; E53-T114 PolarHBondContact OE2-OG1 3.13Å; E53-T117 HydrophobicContact CB-CG2 4.18Å; E53-T117 WeakPolarHBondContact CB-OG1 3.46Å; E53-T117 VanDerWaalsContact OE2-CB 3.3Å; E53-T117 WeakPolarHBondContact OE2-CB 3.45Å; E53-T117 PolarHBondContact OE2-OG1 3.45Å
54	R	92.5	Very high	91.4	Very high	119 Å²	119	49.5 Å²	49.5	45%	0.449	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-56.2	-18	-173	63.9	-179.4	175	169.4	-0.5	115.2	F42 E43 V52 F56 F57	F42-R54 HydrophobicContact CE1-CB 4.02Å; F42-R54 HydrophobicContact CZ-CB 4.12Å; E43-R54 IonicContact OE1-NH1 3.3Å; V52-R54 PolarHBondContact O-N 3.11Å; R54-F56 PolarHBondContact O-N 2.83Å; R54-F57 PolarHBondContact O-N 3.26Å; R54-F57 VanDerWaalsContact O-N 3.13Å
55	H	90.6	Very high	91.1	Very high	69 Å²	69	48.5 Å²	48.5	32%	0.319	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.2	-17.1	-178.8	44.1	66.1	0	0	0	114.6	E53 F104 W331	E53-H55 PolarHBondContact O-N 2.85Å; H55-F104 VanDerWaalsContact O-CD2 3.25Å; H55-F104 WeakPolarHBondContact O-CD2 3.23Å; H55-W331 AromaticContact CE1-CH2 3.88Å; H55-W331 AromaticContact ND1-CH2 3.82Å
56	F	93.7	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-81.2	-19.5	174	-66.4	-68.7	0	0	0	113.1	E53 R54 L102 K103 F104 P106 F111 V112 T117 F324 W331	E53-F56 HydrophobicContact CB-CD2 4.03Å; E53-F56 HydrophobicContact CB-CE2 4.19Å; E53-F56 PolarHBondContact O-N 3.38Å; R54-F56 PolarHBondContact O-N 2.83Å; F56-L102 HydrophobicContact CB-CD1 3.74Å; F56-L102 CarbonylContact O-C 3.44Å; F56-K103 WeakPolarHBondContact O-CA 3.24Å; F56-K103 PolarHBondContact O-N 2.89Å; F56-F104 WeakPolarHBondContact CD1-O 3.39Å; F56-F104 PolarHBondContact O-N 3.23Å; F56-F104 VanDerWaalsContact O-N 3.07Å; F56-P106 HydrophobicContact CE1-CB 3.92Å; F56-P106 HydrophobicContact CE1-CG 4.31Å; F56-P106 HydrophobicContact CZ-CB 4.41Å; F56-F111 HydrophobicContact CZ-CB 4.41Å; F56-V112 HydrophobicContact CE2-CG2 4.24Å; F56-V112 HydrophobicContact CZ-CG2 4.19Å; F56-T117 HydrophobicContact CD2-CG2 3.98Å; F56-T117 HydrophobicContact CE2-CG2 4.41Å; F56-F324 AromaticContact CD1-CZ 3.88Å; F56-F324 HydrophobicContact CD1-CZ 3.88Å; F56-F324 AromaticContact CE1-CZ 3.76Å; F56-F324 HydrophobicContact CE1-CZ 3.76Å; F56-W331 HydrophobicContact CE1-CZ3 4.43Å; F56-W331 HydrophobicContact CZ-CZ3 4.24Å
57	F	96.4	Very high	91.3	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	163.6	-169.3	-55.6	-84.8	0	0	0	112.4	L23 F42 L51 R54 L100 R101 L102 T117 H120	L23-F57 HydrophobicContact CD1-CD1 4Å; L23-F57 HydrophobicContact CD1-CE1 3.67Å; F42-F57 HydrophobicContact CE2-CB 4.08Å; F42-F57 HydrophobicContact CZ-CB 4.06Å; L51-F57 HydrophobicContact CD1-CD2 4.29Å; L51-F57 HydrophobicContact CD1-CE2 4.46Å; L51-F57 HydrophobicContact CD1-CG 4.47Å; L51-F57 HydrophobicContact CD2-CD2 4.43Å; L51-F57 HydrophobicContact CD2-CE2 3.85Å; L51-F57 HydrophobicContact CD2-CZ 4.12Å; R54-F57 PolarHBondContact O-N 3.26Å; R54-F57 VanDerWaalsContact O-N 3.13Å; F57-L100 HydrophobicContact CB-CD1 3.97Å; F57-R101 CarbonylContact C-O 3.51Å; F57-R101 WeakPolarHBondContact CA-O 3.05Å; F57-L102 HydrophobicContact CD1-CD1 4.18Å; F57-L102 HydrophobicContact CE1-CD1 3.9Å; F57-L102 HydrophobicContact CZ-CD1 4.31Å; F57-T117 HydrophobicContact CE2-CG2 3.98Å; F57-T117 HydrophobicContact CZ-CG2 4.1Å; F57-H120 HydrophobicContact CE1-CB 3.87Å; F57-H120 HydrophobicContact CZ-CB 3.74Å
58	G	96.8	Very high	91.5	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	169.5	170.5	0	0	0	0	0	111.3	R101	G58-R101 PolarHBondContact N-O 3.01Å; G58-R101 PolarHBondContact O-N 3.12Å
59	L	97.6	Very high	92	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.3	172.5	-63.6	178.6	0	0	0	110	V20 I41 F42 F69 L70 L98 L100	V20-L59 HydrophobicContact CG1-CD2 4.01Å; I41-L59 HydrophobicContact CB-CD1 3.8Å; I41-L59 HydrophobicContact CG2-CD1 3.58Å; F42-L59 HydrophobicContact CB-CD1 3.89Å; F42-L59 HydrophobicContact CB-CG 4.14Å; F42-L59 HydrophobicContact CD2-CD2 4.2Å; F42-L59 HydrophobicContact CD2-CG 3.88Å; F42-L59 HydrophobicContact CG-CG 4.46Å; L59-F69 WeakPolarHBondContact O-CA 3.3Å; L59-L70 PolarHBondContact O-N 3.49Å; L59-L98 HydrophobicContact CD1-CD1 4.13Å; L59-L100 HydrophobicContact CD2-CB 4.48Å; L59-L100 HydrophobicContact CD2-CD1 4.4Å
60	T	97.6	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.4	175.9	62.5	0	0	0	0	110.6	Y67 F68 F69 L98 Y99 R101	T60-Y67 VanDerWaalsContact OG1-CD1 3.31Å; T60-Y67 WeakPolarHBondContact OG1-CD1 3.39Å; T60-F68 CarbonylContact C-O 3.57Å; T60-F68 WeakPolarHBondContact CA-O 3.47Å; T60-F68 WeakPolarHBondContact CB-O 3.32Å; T60-F69 HydrophobicContact CG2-CB 4.37Å; T60-F69 HydrophobicContact CG2-CD1 3.43Å; T60-F69 VanDerWaalsContact CG2-CD1 3.43Å; T60-F69 HydrophobicContact CG2-CD2 3.83Å; T60-F69 HydrophobicContact CG2-CE1 3.42Å; T60-F69 VanDerWaalsContact CG2-CE1 3.42Å; T60-F69 HydrophobicContact CG2-CE2 3.82Å; T60-F69 HydrophobicContact CG2-CG 3.64Å; T60-F69 HydrophobicContact CG2-CZ 3.61Å; T60-L98 CarbonylContact O-C 3.54Å; T60-L98 VanDerWaalsContact O-CA 3.28Å; T60-L98 WeakPolarHBondContact O-CA 3.43Å; T60-Y99 PolarHBondContact N-O 2.87Å; T60-Y99 PolarHBondContact O-N 3.01Å; T60-Y99 WeakPolarHBondContact OG1-CB 3.15Å; T60-Y99 PolarHBondContact OG1-O 3.35Å; T60-Y99 VanDerWaalsContact OG1-O 3.1Å; T60-R101 HydrophobicContact CG2-CB 3.96Å; T60-R101 HydrophobicContact CG2-CG 3.98Å; T60-R101 WeakPolarHBondContact OG1-CG 3.25Å
61	Y	94.6	Very high	92.7	Very high	45 Å²	45	35.8 Å²	35.8	18%	0.176	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.4	158.7	68.1	-84.7	0	0	0	108.7	K63 F68 L70 F79	Y61-K63 HydrophobicContact CD2-CB 4.13Å; Y61-K63 HydrophobicContact CE2-CB 3.84Å; Y61-F68 HydrophobicContact CD1-CB 3.94Å; Y61-F68 WeakPolarHBondContact CD1-O 3.31Å; Y61-F68 HydrophobicContact CD2-CB 4.43Å; Y61-F68 HydrophobicContact CE1-CB 3.38Å; Y61-F68 HydrophobicContact CE1-CG 4.3Å; Y61-F68 HydrophobicContact CE2-CB 3.92Å; Y61-F68 AromaticContact CE2-CD2 3.96Å; Y61-F68 HydrophobicContact CE2-CD2 3.96Å; Y61-F68 HydrophobicContact CE2-CG 4.13Å; Y61-F68 HydrophobicContact CG-CB 4.44Å; Y61-F68 AromaticContact CZ-CG 3.78Å; Y61-F68 PolarHBondContact N-O 2.94Å; Y61-F68 PolarHBondContact O-N 2.77Å; Y61-L70 HydrophobicContact CD1-CD2 3.66Å; Y61-L70 HydrophobicContact CD1-CG 4.16Å; Y61-L70 HydrophobicContact CE1-CD2 3.86Å; Y61-F79 HydrophobicContact CD1-CB 4.26Å; Y61-F79 AromaticContact CD1-CD1 3.93Å; Y61-F79 HydrophobicContact CD1-CD1 3.93Å; Y61-F79 HydrophobicContact CD1-CG 4.35Å; Y61-F79 HydrophobicContact CE1-CB 4.48Å; Y61-F79 AromaticContact CE1-CD1 3.34Å; Y61-F79 HydrophobicContact CE1-CD1 3.34Å; Y61-F79 AromaticContact CE1-CE1 3.88Å; Y61-F79 HydrophobicContact CE1-CE1 3.88Å; Y61-F79 HydrophobicContact CE1-CG 4.19Å; Y61-F79 AromaticContact CZ-CD1 3.8Å
62	L	90.9	Very high	92.9	Very high	70 Å²	70	37.5 Å²	37.5	37%	0.366	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	125.1	178.3	-175.8	66.8	0	0	0	109.3	Y67 Y99	L62-Y67 HydrophobicContact CB-CD1 4.34Å; L62-Y67 HydrophobicContact CB-CE1 4.2Å; L62-Y67 HydrophobicContact CD1-CD1 3.95Å; L62-Y67 HydrophobicContact CD1-CD2 4.47Å; L62-Y67 HydrophobicContact CD1-CE1 3.84Å; L62-Y67 HydrophobicContact CD1-CE2 4.38Å; L62-Y67 HydrophobicContact CD1-CG 4.26Å; L62-Y67 HydrophobicContact CG-CE1 4.46Å; L62-Y99 HydrophobicContact CB-CD2 4.34Å; L62-Y99 HydrophobicContact CB-CE2 3.75Å
63	K	86.8	Confident	93.1	Very high	79 Å²	79	38.8 Å²	38.8	34%	0.343	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.9	174.3	-173.3	-162.4	173.6	-133.3	0	109	Y61 G65 E66 F68 D306	Y61-K63 HydrophobicContact CD2-CB 4.13Å; Y61-K63 HydrophobicContact CE2-CB 3.84Å; K63-G65 PolarHBondContact O-N 2.85Å; K63-G65 VanDerWaalsContact O-N 3.1Å; K63-E66 PolarHBondContact N-O 2.68Å; K63-E66 WeakPolarHBondContact O-CB 3.28Å; K63-E66 PolarHBondContact O-N 2.73Å; K63-F68 HydrophobicContact CB-CD2 4Å; K63-F68 HydrophobicContact CB-CE2 3.91Å; K63-F68 HydrophobicContact CD-CE2 4.49Å; K63-D306 IonicContact NZ-OD2 2.86Å; K63-D306 PolarHBondContact NZ-OD2 2.74Å
64	D	83.7	Confident	93.2	Very high	86 Å²	86	41.1 Å²	41.1	46%	0.46	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	29.7	177.5	-50.4	-41.8	0	0	0	114.5	R221	D64-R221 PolarHBondContact O-NH1 2.95Å
65	G	85.8	Confident	93.2	Very high	39 Å²	39	39.7 Å²	39.7	40%	0.402	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-2.9	-177.1	0	0	0	0	0	115.1	K63 R133	K63-G65 PolarHBondContact O-N 2.85Å; K63-G65 VanDerWaalsContact O-N 3.1Å; G65-R133 PolarHBondContact O-NH1 3.35Å; G65-R133 PolarHBondContact O-NH2 2.8Å
66	E	92.2	Very high	93.2	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.028	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.1	-176.1	-54.8	172.9	151.7	0	0	111.3	K63 F68 Y220 R221 K310	K63-E66 PolarHBondContact N-O 2.68Å; K63-E66 WeakPolarHBondContact O-CB 3.28Å; K63-E66 PolarHBondContact O-N 2.73Å; E66-F68 HydrophobicContact CB-CD2 4.32Å; E66-F68 HydrophobicContact CB-CE2 3.68Å; E66-F68 HydrophobicContact CB-CZ 4.22Å; E66-F68 WeakPolarHBondContact O-CD2 3.33Å; E66-F68 VanDerWaalsContact OE2-CZ 3.24Å; E66-F68 WeakPolarHBondContact OE2-CZ 3.18Å; E66-Y220 HydrophobicContact CB-CD1 4.09Å; E66-Y220 HydrophobicContact CB-CE1 4.38Å; E66-Y220 HydrophobicContact CG-CD1 4.49Å; E66-R221 WeakPolarHBondContact OE1-CB 3.32Å; E66-R221 WeakPolarHBondContact OE1-CG 3.47Å; E66-R221 PolarHBondContact OE1-N 3.5Å; E66-K310 IonicContact OE1-NZ 3.64Å; E66-K310 PolarHBondContact OE1-NZ 3.41Å; E66-K310 WeakPolarHBondContact OE2-CE 3.17Å; E66-K310 IonicContact OE2-NZ 2.68Å; E66-K310 PolarHBondContact OE2-NZ 2.89Å
67	Y	95	Very high	92.9	Very high	33 Å²	33	38 Å²	38	13%	0.129	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.5	175.8	-72	-70.6	0	0	0	110.9	T60 L62 Y99 R101 R133 Y220	T60-Y67 VanDerWaalsContact OG1-CD1 3.31Å; T60-Y67 WeakPolarHBondContact OG1-CD1 3.39Å; L62-Y67 HydrophobicContact CB-CD1 4.34Å; L62-Y67 HydrophobicContact CB-CE1 4.2Å; L62-Y67 HydrophobicContact CD1-CD1 3.95Å; L62-Y67 HydrophobicContact CD1-CD2 4.47Å; L62-Y67 HydrophobicContact CD1-CE1 3.84Å; L62-Y67 HydrophobicContact CD1-CE2 4.38Å; L62-Y67 HydrophobicContact CD1-CG 4.26Å; L62-Y67 HydrophobicContact CG-CE1 4.46Å; Y67-Y99 HydrophobicContact CD1-CD2 4.32Å; Y67-Y99 HydrophobicContact CD1-CG 4.41Å; Y67-Y99 HydrophobicContact CE1-CD1 4.03Å; Y67-Y99 AromaticContact CE1-CD2 3.79Å; Y67-Y99 HydrophobicContact CE1-CD2 3.79Å; Y67-Y99 HydrophobicContact CE1-CE1 4.48Å; Y67-Y99 HydrophobicContact CE1-CE2 4.27Å; Y67-Y99 AromaticContact CE1-CG 3.67Å; Y67-Y99 HydrophobicContact CE1-CG 3.67Å; Y67-R101 HydrophobicContact CD1-CG 4.49Å; Y67-R133 VanDerWaalsContact CE2-CZ 3.42Å; Y67-Y220 VanDerWaalsContact O-CE1 3.28Å; Y67-Y220 WeakPolarHBondContact O-CE1 3.35Å; Y67-Y220 PolarHBondContact O-OH 3.48Å
68	F	96.4	Very high	92.5	Very high	6 Å²	6	43 Å²	43	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.2	177.7	-71	-90.2	0	0	0	110.4	T60 Y61 K63 E66 Y220 K310 Y313	T60-F68 CarbonylContact C-O 3.57Å; T60-F68 WeakPolarHBondContact CA-O 3.47Å; T60-F68 WeakPolarHBondContact CB-O 3.32Å; Y61-F68 HydrophobicContact CD1-CB 3.94Å; Y61-F68 WeakPolarHBondContact CD1-O 3.31Å; Y61-F68 HydrophobicContact CD2-CB 4.43Å; Y61-F68 HydrophobicContact CE1-CB 3.38Å; Y61-F68 HydrophobicContact CE1-CG 4.3Å; Y61-F68 HydrophobicContact CE2-CB 3.92Å; Y61-F68 AromaticContact CE2-CD2 3.96Å; Y61-F68 HydrophobicContact CE2-CD2 3.96Å; Y61-F68 HydrophobicContact CE2-CG 4.13Å; Y61-F68 HydrophobicContact CG-CB 4.44Å; Y61-F68 AromaticContact CZ-CG 3.78Å; Y61-F68 PolarHBondContact N-O 2.94Å; Y61-F68 PolarHBondContact O-N 2.77Å; K63-F68 HydrophobicContact CB-CD2 4Å; K63-F68 HydrophobicContact CB-CE2 3.91Å; K63-F68 HydrophobicContact CD-CE2 4.49Å; E66-F68 HydrophobicContact CB-CD2 4.32Å; E66-F68 HydrophobicContact CB-CE2 3.68Å; E66-F68 HydrophobicContact CB-CZ 4.22Å; E66-F68 WeakPolarHBondContact O-CD2 3.33Å; E66-F68 VanDerWaalsContact OE2-CZ 3.24Å; E66-F68 WeakPolarHBondContact OE2-CZ 3.18Å; F68-Y220 HydrophobicContact CD1-CE1 4.2Å; F68-Y220 HydrophobicContact CE1-CD1 4.11Å; F68-Y220 HydrophobicContact CE1-CE1 4.11Å; F68-Y220 HydrophobicContact CZ-CD1 4.18Å; F68-Y220 HydrophobicContact CZ-CE1 4.4Å; F68-K310 HydrophobicContact CE1-CG 4.24Å; F68-K310 HydrophobicContact CZ-CD 4.41Å; F68-K310 HydrophobicContact CZ-CG 4.45Å; F68-Y313 AromaticContact CD1-CD1 3.5Å; F68-Y313 HydrophobicContact CD1-CD1 3.5Å; F68-Y313 VanDerWaalsContact CD1-CD1 3.5Å; F68-Y313 HydrophobicContact CD1-CD2 4.28Å; F68-Y313 AromaticContact CD1-CE1 3.51Å; F68-Y313 HydrophobicContact CD1-CE1 3.51Å; F68-Y313 HydrophobicContact CD1-CE2 4.31Å; F68-Y313 AromaticContact CD1-CG 3.9Å; F68-Y313 HydrophobicContact CD1-CG 3.9Å; F68-Y313 AromaticContact CD1-CZ 3.94Å; F68-Y313 AromaticContact CE1-CD1 3.72Å; F68-Y313 HydrophobicContact CE1-CD1 3.72Å; F68-Y313 HydrophobicContact CE1-CE1 4Å; F68-Y313 HydrophobicContact CE1-CG 4.33Å; F68-Y313 HydrophobicContact CG-CE1 4.48Å
69	F	97.7	Very high	92.2	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132	175.8	-75	-86.2	0	0	0	111.9	L59 T60 R101 L102 K103 H218 Y313 F317	L59-F69 WeakPolarHBondContact O-CA 3.3Å; T60-F69 HydrophobicContact CG2-CB 4.37Å; T60-F69 HydrophobicContact CG2-CD1 3.43Å; T60-F69 VanDerWaalsContact CG2-CD1 3.43Å; T60-F69 HydrophobicContact CG2-CD2 3.83Å; T60-F69 HydrophobicContact CG2-CE1 3.42Å; T60-F69 VanDerWaalsContact CG2-CE1 3.42Å; T60-F69 HydrophobicContact CG2-CE2 3.82Å; T60-F69 HydrophobicContact CG2-CG 3.64Å; T60-F69 HydrophobicContact CG2-CZ 3.61Å; F69-R101 HydrophobicContact CE1-CB 3.99Å; F69-R101 HydrophobicContact CZ-CB 3.84Å; F69-L102 WeakPolarHBondContact CZ-O 3.29Å; F69-K103 HydrophobicContact CD1-CB 3.84Å; F69-K103 HydrophobicContact CD1-CD 3.84Å; F69-K103 HydrophobicContact CD1-CG 3.68Å; F69-K103 HydrophobicContact CD2-CG 4.43Å; F69-K103 HydrophobicContact CE1-CB 3.45Å; F69-K103 VanDerWaalsContact CE1-CB 3.45Å; F69-K103 HydrophobicContact CE1-CD 4.37Å; F69-K103 HydrophobicContact CE1-CG 3.78Å; F69-K103 HydrophobicContact CG-CD 4.21Å; F69-K103 HydrophobicContact CG-CG 4.03Å; F69-K103 VanDerWaalsContact CZ-CA 3.46Å; F69-K103 HydrophobicContact CZ-CB 3.94Å; F69-K103 HydrophobicContact CZ-CG 4.23Å; F69-H218 AromaticContact CE2-CE1 3.47Å; F69-H218 VanDerWaalsContact CE2-CE1 3.47Å; F69-H218 WeakPolarHBondContact CE2-CE1 3.47Å; F69-H218 AromaticContact CE2-ND1 3.6Å; F69-H218 AromaticContact CZ-CE1 3.82Å; F69-Y313 PolarHBondContact N-OH 3.25Å; F69-Y313 WeakPolarHBondContact O-CE2 3.3Å; F69-F317 HydrophobicContact CB-CD2 4.45Å; F69-F317 HydrophobicContact CB-CE2 4.14Å; F69-F317 HydrophobicContact CD2-CD2 4.43Å; F69-F317 AromaticContact CD2-CE2 3.5Å; F69-F317 HydrophobicContact CD2-CE2 3.5Å; F69-F317 AromaticContact CD2-CZ 3.58Å; F69-F317 HydrophobicContact CD2-CZ 3.58Å; F69-F317 HydrophobicContact CE2-CE2 4.2Å; F69-F317 AromaticContact CE2-CZ 3.91Å; F69-F317 HydrophobicContact CE2-CZ 3.91Å; F69-F317 AromaticContact CG-CE2 3.96Å; F69-F317 HydrophobicContact CG-CE2 3.96Å; F69-F317 HydrophobicContact CG-CZ 4.46Å
70	L	96.3	Very high	91.5	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-82.3	136.8	169.9	-62.9	173.8	0	0	0	109.8	A38 L59 Y61 F79 L98	A38-L70 HydrophobicContact CB-CB 3.71Å; A38-L70 HydrophobicContact CB-CD1 4.14Å; L59-L70 PolarHBondContact O-N 3.49Å; Y61-L70 HydrophobicContact CD1-CD2 3.66Å; Y61-L70 HydrophobicContact CD1-CG 4.16Å; Y61-L70 HydrophobicContact CE1-CD2 3.86Å; L70-F79 HydrophobicContact CD2-CB 4.23Å; L70-F79 HydrophobicContact CD2-CD1 3.66Å; L70-F79 HydrophobicContact CD2-CD2 3.57Å; L70-F79 HydrophobicContact CD2-CE1 3.82Å; L70-F79 HydrophobicContact CD2-CE2 3.79Å; L70-F79 HydrophobicContact CD2-CG 3.52Å; L70-F79 HydrophobicContact CD2-CZ 3.89Å; L70-L98 HydrophobicContact CD1-CD1 4.21Å; L70-L98 HydrophobicContact CD1-CD2 3.8Å
71	E	93.7	Very high	90.7	Very high	47 Å²	47	47.8 Å²	47.8	22%	0.22	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-79.4	146.6	169.2	-67.4	-58.1	134.3	0	0	110.1	E73 Q74 K103	E71-E73 VanDerWaalsContact C-N 3.26Å; E71-E73 PolarHBondContact O-N 3.29Å; E71-E73 VanDerWaalsContact O-N 3.12Å; E71-Q74 HydrophobicContact CB-CG 4.03Å; E71-Q74 VanDerWaalsContact O-CB 3.3Å; E71-Q74 WeakPolarHBondContact O-CB 3.25Å; E71-Q74 PolarHBondContact O-N 2.82Å; E71-K103 IonicContact OE1-NZ 3.49Å; E71-K103 PolarHBondContact OE1-NZ 3.14Å; E71-K103 IonicContact OE2-NZ 2.77Å
72	P	93	Very high	89.6	Confident	46 Å²	46	50.2 Å²	50.2	30%	0.299	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.2	-168.4	-26.1	34.7	0	0	0	114.3	T37 L39 Q74	T37-P72 WeakPolarHBondContact CB-O 3.49Å; L39-P72 HydrophobicContact CB-CB 3.98Å; L39-P72 WeakPolarHBondContact CB-O 3.31Å; L39-P72 HydrophobicContact CD1-CB 4.41Å; L39-P72 PolarHBondContact N-O 2.88Å; P72-Q74 VanDerWaalsContact C-N 3.3Å; P72-Q74 PolarHBondContact O-N 3.41Å
73	E	93.1	Very high	88.5	Confident	131 Å²	131	49 Å²	49	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.8	-175.2	-55.2	72.7	-154.1	0	0	113.2	E71 K75	E71-E73 VanDerWaalsContact C-N 3.26Å; E71-E73 PolarHBondContact O-N 3.29Å; E71-E73 VanDerWaalsContact O-N 3.12Å; E73-K75 PolarHBondContact O-N 3.11Å
74	Q	93.1	Very high	87.9	Confident	58 Å²	58	46.2 Å²	46.2	27%	0.271	25%	0.25	S	C	.	.	S	Bend	trans	-71	131.5	-176.8	-74	-179.3	-29	0	0	111.3	T37 A38 E71 P72 F79	T37-Q74 CarbonylContact C-O 3.6Å; T37-Q74 WeakPolarHBondContact CA-O 3.25Å; A38-Q74 PolarHBondContact N-O 2.59Å; E71-Q74 HydrophobicContact CB-CG 4.03Å; E71-Q74 VanDerWaalsContact O-CB 3.3Å; E71-Q74 WeakPolarHBondContact O-CB 3.25Å; E71-Q74 PolarHBondContact O-N 2.82Å; P72-Q74 VanDerWaalsContact C-N 3.3Å; P72-Q74 PolarHBondContact O-N 3.41Å; Q74-F79 HydrophobicContact CB-CE2 3.85Å; Q74-F79 HydrophobicContact CB-CZ 4.32Å; Q74-F79 HydrophobicContact CG-CE2 4.31Å; Q74-F79 HydrophobicContact CG-CZ 4.31Å
75	K	92.6	Very high	87.1	Confident	88 Å²	88	47.3 Å²	47.3	38%	0.383	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-75.8	127.4	176.8	-57.7	-172.1	-174.4	174.9	0	110.5	C36 E73 Y77 R78	C36-K75 WeakPolarHBondContact O-CA 3.31Å; E73-K75 PolarHBondContact O-N 3.11Å; K75-Y77 HydrophobicContact CB-CD1 3.66Å; K75-Y77 HydrophobicContact CB-CE1 3.5Å; K75-Y77 VanDerWaalsContact CB-CE1 3.5Å; K75-Y77 HydrophobicContact CD-CD1 4.28Å; K75-Y77 HydrophobicContact CD-CE1 3.4Å; K75-Y77 HydrophobicContact CG-CE1 4.09Å; K75-Y77 PolarHBondContact O-N 2.83Å; K75-Y77 VanDerWaalsContact O-N 3.17Å; K75-R78 WeakPolarHBondContact O-CB 3.28Å; K75-R78 PolarHBondContact O-N 2.92Å
76	I	89.8	Confident	85.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60.9	-32.5	-170.7	61.4	147.8	0	0	0	112.8	V18 C36 I41 R78 F79 A80 W84 F96	V18-I76 HydrophobicContact CG2-CD1 3.73Å; C36-I76 WeakPolarHBondContact O-CG1 3.34Å; C36-I76 PolarHBondContact O-N 2.62Å; C36-I76 WeakPolarHBondContact SG-CD1 3.41Å; C36-I76 WeakPolarHBondContact SG-CG1 3.39Å; I41-I76 HydrophobicContact CD1-CB 4.47Å; I41-I76 HydrophobicContact CD1-CD1 4.06Å; I41-I76 HydrophobicContact CD1-CG2 3.71Å; I41-I76 HydrophobicContact CG1-CG2 4.3Å; I76-R78 PolarHBondContact O-N 2.85Å; I76-R78 VanDerWaalsContact O-N 3.07Å; I76-F79 PolarHBondContact O-N 2.76Å; I76-A80 PolarHBondContact O-N 3.17Å; I76-A80 VanDerWaalsContact O-N 3.11Å; I76-W84 HydrophobicContact CD1-CH2 3.3Å; I76-W84 HydrophobicContact CD1-CZ2 3.93Å; I76-W84 HydrophobicContact CD1-CZ3 3.95Å; I76-W84 HydrophobicContact CG1-CH2 4.29Å; I76-F96 HydrophobicContact CB-CE1 4.01Å; I76-F96 WeakPolarHBondContact O-CE1 3.36Å
77	Y	86.9	Confident	83.8	Confident	33 Å²	33	58.7 Å²	58.7	13%	0.129	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-63	-22.2	-176.7	73.3	-107.1	0	0	0	113.4	I34 K75 F79 R85	I34-Y77 WeakPolarHBondContact O-CB 3.15Å; I34-Y77 WeakPolarHBondContact O-CD1 3.16Å; K75-Y77 HydrophobicContact CB-CD1 3.66Å; K75-Y77 HydrophobicContact CB-CE1 3.5Å; K75-Y77 VanDerWaalsContact CB-CE1 3.5Å; K75-Y77 HydrophobicContact CD-CD1 4.28Å; K75-Y77 HydrophobicContact CD-CE1 3.4Å; K75-Y77 HydrophobicContact CG-CE1 4.09Å; K75-Y77 PolarHBondContact O-N 2.83Å; K75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-F79 PolarHBondContact O-N 2.82Å; Y77-R85 VanDerWaalsContact CD2-NH2 3.26Å; Y77-R85 PolarHBondContact O-NH2 2.88Å
78	R	89	Confident	80.9	Confident	112 Å²	112	61.9 Å²	61.9	42%	0.423	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-71.7	-19.9	179.1	-67.2	-174.7	172.5	-168	-4.6	112	K75 I76	K75-R78 WeakPolarHBondContact O-CB 3.28Å; K75-R78 PolarHBondContact O-N 2.92Å; I76-R78 PolarHBondContact O-N 2.85Å; I76-R78 VanDerWaalsContact O-N 3.07Å
79	F	89.5	Confident	78.4	Confident	54 Å²	54	64.8 Å²	64.8	24%	0.237	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-10.9	-178.1	-54.4	-88.8	0	0	0	112.3	Y61 L70 Q74 I76 Y77 F96	Y61-F79 HydrophobicContact CD1-CB 4.26Å; Y61-F79 AromaticContact CD1-CD1 3.93Å; Y61-F79 HydrophobicContact CD1-CD1 3.93Å; Y61-F79 HydrophobicContact CD1-CG 4.35Å; Y61-F79 HydrophobicContact CE1-CB 4.48Å; Y61-F79 AromaticContact CE1-CD1 3.34Å; Y61-F79 HydrophobicContact CE1-CD1 3.34Å; Y61-F79 AromaticContact CE1-CE1 3.88Å; Y61-F79 HydrophobicContact CE1-CE1 3.88Å; Y61-F79 HydrophobicContact CE1-CG 4.19Å; Y61-F79 AromaticContact CZ-CD1 3.8Å; L70-F79 HydrophobicContact CD2-CB 4.23Å; L70-F79 HydrophobicContact CD2-CD1 3.66Å; L70-F79 HydrophobicContact CD2-CD2 3.57Å; L70-F79 HydrophobicContact CD2-CE1 3.82Å; L70-F79 HydrophobicContact CD2-CE2 3.79Å; L70-F79 HydrophobicContact CD2-CG 3.52Å; L70-F79 HydrophobicContact CD2-CZ 3.89Å; Q74-F79 HydrophobicContact CB-CE2 3.85Å; Q74-F79 HydrophobicContact CB-CZ 4.32Å; Q74-F79 HydrophobicContact CG-CE2 4.31Å; Q74-F79 HydrophobicContact CG-CZ 4.31Å; I76-F79 PolarHBondContact O-N 2.76Å; Y77-F79 PolarHBondContact O-N 2.82Å; F79-F96 HydrophobicContact CB-CZ 3.98Å
80	A	84.3	Confident	75.7	Confident	18 Å²	18	74.2 Å²	74.2	15%	0.149	40%	0.399	C	S	.	.	S	Bend	trans	-62	142.5	176.7	0	0	0	0	0	111.1	I76 W84 F96	I76-A80 PolarHBondContact O-N 3.17Å; I76-A80 VanDerWaalsContact O-N 3.11Å; A80-W84 HydrophobicContact CB-CB 3.92Å; A80-W84 HydrophobicContact CB-CD2 3.75Å; A80-W84 HydrophobicContact CB-CE3 3.44Å; A80-W84 VanDerWaalsContact CB-CE3 3.44Å; A80-W84 HydrophobicContact CB-CG 3.95Å; A80-W84 HydrophobicContact CB-CZ3 4.28Å; A80-F96 HydrophobicContact CB-CD1 3.63Å; A80-F96 HydrophobicContact CB-CE1 3.79Å; A80-F96 HydrophobicContact CB-CG 4.06Å; A80-F96 HydrophobicContact CB-CZ 4.36Å
81	P	80.6	Confident	72.9	Confident	41 Å²	41	79.4 Å²	79.4	27%	0.266	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-62	153.6	176.5	26.7	-34.4	0	0	0	111.1	G83 W84 V94 F96	P81-G83 PolarHBondContact O-N 3.5Å; P81-W84 HydrophobicContact CG-CB 4.4Å; P81-W84 WeakPolarHBondContact O-CB 3.38Å; P81-W84 PolarHBondContact O-N 3.47Å; P81-V94 HydrophobicContact CB-CG1 3.89Å; P81-V94 HydrophobicContact CG-CG1 3.52Å; P81-F96 HydrophobicContact CG-CB 4.44Å
82	P	70.1	Confident	70.6	Confident	95 Å²	95	80.5 Å²	80.5	62%	0.617	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	136.6	171.3	-24.1	33.7	0	0	0	110.9
83	G	69.8	Low	68.8	Low	44 Å²	44	87.4 Å²	87.4	45%	0.454	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-16.2	-178.4	0	0	0	0	0	115.7	P81 R85 H86	P81-G83 PolarHBondContact O-N 3.5Å; G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.16Å; G83-H86 PolarHBondContact O-N 3Å
84	W	74.2	Confident	67.4	Low	21 Å²	21	84.2 Å²	84.2	8%	0.08	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.1	-178.7	-177.1	72.3	0	0	0	114.6	N17 V18 I34 I76 A80 P81 F96	N17-W84 PolarHBondContact O-NE1 3.1Å; V18-W84 HydrophobicContact CG2-CH2 4.29Å; V18-W84 HydrophobicContact CG2-CZ2 3.53Å; I34-W84 HydrophobicContact CB-CZ3 4.46Å; I34-W84 HydrophobicContact CG1-CZ3 4.49Å; I34-W84 HydrophobicContact CG2-CZ3 4.14Å; I76-W84 HydrophobicContact CD1-CH2 3.3Å; I76-W84 HydrophobicContact CD1-CZ2 3.93Å; I76-W84 HydrophobicContact CD1-CZ3 3.95Å; I76-W84 HydrophobicContact CG1-CH2 4.29Å; A80-W84 HydrophobicContact CB-CB 3.92Å; A80-W84 HydrophobicContact CB-CD2 3.75Å; A80-W84 HydrophobicContact CB-CE3 3.44Å; A80-W84 VanDerWaalsContact CB-CE3 3.44Å; A80-W84 HydrophobicContact CB-CG 3.95Å; A80-W84 HydrophobicContact CB-CZ3 4.28Å; P81-W84 HydrophobicContact CG-CB 4.4Å; P81-W84 WeakPolarHBondContact O-CB 3.38Å; P81-W84 PolarHBondContact O-N 3.47Å; W84-F96 VanDerWaalsContact CD1-CB 3.43Å; W84-F96 HydrophobicContact CD2-CB 4.24Å; W84-F96 HydrophobicContact CD2-CD1 4.31Å; W84-F96 HydrophobicContact CG-CB 3.93Å; W84-F96 HydrophobicContact CZ2-CD1 4.48Å
85	R	66	Low	66.4	Low	110 Å²	110	84.1 Å²	84.1	42%	0.415	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.6	-174.8	-56.2	-173.6	-154.9	165.7	15.4	114.7	I34 Y77 G83	I34-R85 HydrophobicContact CG2-CG 4.14Å; Y77-R85 VanDerWaalsContact CD2-NH2 3.26Å; Y77-R85 PolarHBondContact O-NH2 2.88Å; G83-R85 VanDerWaalsContact C-N 3.26Å; G83-R85 PolarHBondContact O-N 3.16Å
86	H	58.6	Low	66.2	Low	153 Å²	153	80.1 Å²	80.1	71%	0.708	45%	0.445	S	S	*	.			trans	-99.5	110.2	-170.2	-67.4	-13	0	0	0	109.9	G83 A88	G83-H86 PolarHBondContact O-N 3Å; H86-A88 VanDerWaalsContact C-N 3.25Å; H86-A88 PolarHBondContact O-N 2.79Å
87	Q	49.7	Very low	66.2	Low	130 Å²	130	81.6 Å²	81.6	61%	0.607	46%	0.455	S	S	*	.			trans	-82.5	9.6	177.4	-82.2	-172.5	-6.8	0	0	114.3	R14 D15 G89	R14-Q87 VanDerWaalsContact C-NE2 3.26Å; R14-Q87 PolarHBondContact O-NE2 2.89Å; R14-Q87 PolarHBondContact O-OE1 3.43Å; D15-Q87 PolarHBondContact OD1-NE2 3.28Å; Q87-G89 PolarHBondContact O-N 2.74Å
88	A	33.8	Very low	66.6	Low	100 Å²	100	80 Å²	80	83%	0.826	45%	0.449	S	S	*	.			trans	-94.9	99.8	-172.2	0	0	0	0	0	111.3	H86	H86-A88 VanDerWaalsContact C-N 3.25Å; H86-A88 PolarHBondContact O-N 2.79Å
89	G	43.5	Very low	66.9	Low	67 Å²	67	77.3 Å²	77.3	69%	0.691	44%	0.439	S	S	*	.	S	Bend	trans	118.1	131.7	168.4	0	0	0	0	0	114.1	Q87 N91	Q87-G89 PolarHBondContact O-N 2.74Å; G89-N91 PolarHBondContact O-N 2.8Å
90	E	42.5	Very low	67.3	Low	201 Å²	201	74.8 Å²	74.8	94%	0.939	43%	0.428	S	S	*	.	S	Bend	trans	-66.4	2.4	-172.2	-82	178.1	143.5	0	0	116.4
91	N	37.9	Very low	67.9	Low	117 Å²	117	75.1 Å²	75.1	63%	0.626	43%	0.425	S	S	*	.	S	Bend	trans	-116.2	114.3	-172.4	-71.7	-27.8	0	0	0	112.9	G89 Q831	G89-N91 PolarHBondContact O-N 2.8Å; N91-Q831 PolarHBondContact ND2-NE2 3.19Å
92	A	45.5	Very low	68.7	Low	71 Å²	71	73.1 Å²	73.1	59%	0.587	41%	0.413	S	S	*	.			trans	71	85.4	172.6	0	0	0	0	0	117.9	V94 M830	A92-V94 PolarHBondContact O-N 3.15Å; A92-V94 VanDerWaalsContact O-N 3.16Å; A92-M830 HydrophobicContact CB-CE 4.4Å
93	R	54.1	Low	69.9	Low	190 Å²	190	69.4 Å²	69.4	72%	0.717	39%	0.387	S	S	*	.			trans	-62	112.4	162.3	-71.3	-179	177.9	176.2	1.1	109.8	A95	R93-A95 PolarHBondContact O-N 2.97Å
94	V	63.7	Low	71.1	Confident	64 Å²	64	68.4 Å²	68.4	39%	0.388	37%	0.37	S	S	.	.			trans	-71.2	112.7	168.9	-175.8	0	0	0	0	108.2	P81 A92 F96	P81-V94 HydrophobicContact CB-CG1 3.89Å; P81-V94 HydrophobicContact CG-CG1 3.52Å; A92-V94 PolarHBondContact O-N 3.15Å; A92-V94 VanDerWaalsContact O-N 3.16Å; V94-F96 PolarHBondContact O-N 2.85Å
95	A	71.9	Confident	72	Confident	56 Å²	56	67.9 Å²	67.9	46%	0.463	37%	0.368	S	S	.	.			trans	-70.3	124.5	176.5	0	0	0	0	0	109.9	R93 C97	R93-A95 PolarHBondContact O-N 2.97Å; A95-C97 PolarHBondContact O-N 3.39Å
96	F	87.9	Confident	73	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.6	166.5	-178.4	-163.7	0	0	0	108.5	V18 L19 I76 F79 A80 P81 W84 V94 L98	V18-F96 HydrophobicContact CG1-CD1 4.29Å; V18-F96 HydrophobicContact CG1-CG 4.48Å; V18-F96 WeakPolarHBondContact CG1-O 3.23Å; V18-F96 HydrophobicContact CG2-CB 4.49Å; V18-F96 HydrophobicContact CG2-CD1 3.83Å; V18-F96 HydrophobicContact CG2-CG 4.49Å; L19-F96 PolarHBondContact N-O 2.77Å; I76-F96 HydrophobicContact CB-CE1 4.01Å; I76-F96 WeakPolarHBondContact O-CE1 3.36Å; F79-F96 HydrophobicContact CB-CZ 3.98Å; A80-F96 HydrophobicContact CB-CD1 3.63Å; A80-F96 HydrophobicContact CB-CE1 3.79Å; A80-F96 HydrophobicContact CB-CG 4.06Å; A80-F96 HydrophobicContact CB-CZ 4.36Å; P81-F96 HydrophobicContact CG-CB 4.44Å; W84-F96 VanDerWaalsContact CD1-CB 3.43Å; W84-F96 HydrophobicContact CD2-CB 4.24Å; W84-F96 HydrophobicContact CD2-CD1 4.31Å; W84-F96 HydrophobicContact CG-CB 3.93Å; W84-F96 HydrophobicContact CZ2-CD1 4.48Å; V94-F96 PolarHBondContact O-N 2.85Å; F96-L98 HydrophobicContact CD2-CD2 4.41Å; F96-L98 HydrophobicContact CE1-CD2 4.41Å; F96-L98 HydrophobicContact CE2-CD2 3.57Å; F96-L98 HydrophobicContact CE2-CG 4.22Å; F96-L98 HydrophobicContact CZ-CD2 3.57Å; F96-L98 HydrophobicContact CZ-CG 4.19Å
97	C	90.4	Very high	74	Confident	32 Å²	32	57.7 Å²	57.7	22%	0.216	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.9	-178.7	-166.4	0	0	0	0	111.4	L19 A95 Y99	L19-C97 CarbonylContact O-C 3.56Å; L19-C97 VanDerWaalsContact O-CA 3.29Å; L19-C97 WeakPolarHBondContact O-CA 2.85Å; A95-C97 PolarHBondContact O-N 3.39Å; C97-Y99 HydrophobicContact CB-CE2 4.42Å
98	L	95.4	Very high	75.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.7	168.4	-63.4	-178.8	0	0	0	109.4	V18 L19 V20 V21 I41 L59 T60 L70 F96	V18-L98 HydrophobicContact CG1-CB 4.38Å; V18-L98 HydrophobicContact CG1-CD1 3.68Å; V18-L98 HydrophobicContact CG1-CG 3.77Å; L19-L98 PolarHBondContact O-N 2.82Å; V20-L98 CarbonylContact C-O 3.49Å; V20-L98 VanDerWaalsContact CA-O 3.29Å; V20-L98 WeakPolarHBondContact CA-O 3.15Å; V20-L98 HydrophobicContact CG2-CB 4.43Å; V21-L98 PolarHBondContact N-O 3.39Å; I41-L98 HydrophobicContact CD1-CD1 4.01Å; I41-L98 HydrophobicContact CG2-CD1 4.44Å; L59-L98 HydrophobicContact CD1-CD1 4.13Å; T60-L98 CarbonylContact O-C 3.54Å; T60-L98 VanDerWaalsContact O-CA 3.28Å; T60-L98 WeakPolarHBondContact O-CA 3.43Å; L70-L98 HydrophobicContact CD1-CD1 4.21Å; L70-L98 HydrophobicContact CD1-CD2 3.8Å; F96-L98 HydrophobicContact CD2-CD2 4.41Å; F96-L98 HydrophobicContact CE1-CD2 4.41Å; F96-L98 HydrophobicContact CE2-CD2 3.57Å; F96-L98 HydrophobicContact CE2-CG 4.22Å; F96-L98 HydrophobicContact CZ-CD2 3.57Å; F96-L98 HydrophobicContact CZ-CG 4.19Å
99	Y	96.4	Very high	78.1	Confident	55 Å²	55	50.7 Å²	50.7	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.7	180	-56.1	-103.3	0	0	0	109.1	V21 T60 L62 Y67 C97 R101	V21-Y99 HydrophobicContact CB-CD1 3.68Å; V21-Y99 HydrophobicContact CB-CE1 4.06Å; V21-Y99 HydrophobicContact CB-CG 4.41Å; V21-Y99 HydrophobicContact CG1-CD1 4.14Å; V21-Y99 HydrophobicContact CG1-CE1 4.43Å; V21-Y99 HydrophobicContact CG2-CD1 4.02Å; V21-Y99 HydrophobicContact CG2-CE1 3.9Å; T60-Y99 PolarHBondContact N-O 2.87Å; T60-Y99 PolarHBondContact O-N 3.01Å; T60-Y99 WeakPolarHBondContact OG1-CB 3.15Å; T60-Y99 PolarHBondContact OG1-O 3.35Å; T60-Y99 VanDerWaalsContact OG1-O 3.1Å; L62-Y99 HydrophobicContact CB-CD2 4.34Å; L62-Y99 HydrophobicContact CB-CE2 3.75Å; Y67-Y99 HydrophobicContact CD1-CD2 4.32Å; Y67-Y99 HydrophobicContact CD1-CG 4.41Å; Y67-Y99 HydrophobicContact CE1-CD1 4.03Å; Y67-Y99 AromaticContact CE1-CD2 3.79Å; Y67-Y99 HydrophobicContact CE1-CD2 3.79Å; Y67-Y99 HydrophobicContact CE1-CE1 4.48Å; Y67-Y99 HydrophobicContact CE1-CE2 4.27Å; Y67-Y99 AromaticContact CE1-CG 3.67Å; Y67-Y99 HydrophobicContact CE1-CG 3.67Å; C97-Y99 HydrophobicContact CB-CE2 4.42Å; Y99-R101 PolarHBondContact O-N 2.77Å
100	L	96.8	Very high	80.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123	166.8	179.1	68.3	0	0	0	108	V21 L22 L23 F42 V45 L51 F57 L59	V21-L100 PolarHBondContact O-N 2.79Å; L22-L100 HydrophobicContact CD2-CB 4.32Å; L22-L100 HydrophobicContact CD2-CD2 4.06Å; L23-L100 WeakPolarHBondContact CD2-O 3.43Å; L23-L100 HydrophobicContact CG-CD2 4.47Å; L23-L100 HydrophobicContact CG-CG 4.46Å; F42-L100 HydrophobicContact CD2-CD1 4.29Å; F42-L100 HydrophobicContact CE2-CD1 3.76Å; V45-L100 HydrophobicContact CG1-CD1 4.24Å; V45-L100 HydrophobicContact CG1-CD2 4.07Å; L51-L100 HydrophobicContact CD1-CD2 3.79Å; F57-L100 HydrophobicContact CB-CD1 3.97Å; L59-L100 HydrophobicContact CD2-CB 4.48Å; L59-L100 HydrophobicContact CD2-CD1 4.4Å
101	R	97.3	Very high	82.1	Confident	25 Å²	25	42.4 Å²	42.4	9%	0.094	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.4	-178.4	-64.8	-77.2	-75.6	162.6	3.4	110.9	F57 G58 T60 Y67 F69 Y99 K103 Q124 D128	F57-R101 CarbonylContact C-O 3.51Å; F57-R101 WeakPolarHBondContact CA-O 3.05Å; G58-R101 PolarHBondContact N-O 3.01Å; G58-R101 PolarHBondContact O-N 3.12Å; T60-R101 HydrophobicContact CG2-CB 3.96Å; T60-R101 HydrophobicContact CG2-CG 3.98Å; T60-R101 WeakPolarHBondContact OG1-CG 3.25Å; Y67-R101 HydrophobicContact CD1-CG 4.49Å; F69-R101 HydrophobicContact CE1-CB 3.99Å; F69-R101 HydrophobicContact CZ-CB 3.84Å; Y99-R101 PolarHBondContact O-N 2.77Å; R101-K103 PolarHBondContact O-N 3.19Å; R101-Q124 VanDerWaalsContact CA-OE1 3.22Å; R101-Q124 VanDerWaalsContact CZ-NE2 3.34Å; R101-Q124 VanDerWaalsContact NH1-CD 3.31Å; R101-D128 IonicContact CZ-OD1 3.14Å; R101-D128 VanDerWaalsContact CZ-OD1 3.24Å; R101-D128 IonicContact NH1-OD1 3.88Å; R101-D128 PolarHBondContact NH1-OD1 3.46Å; R101-D128 IonicContact NH1-OD2 3.36Å; R101-D128 IonicContact NH2-OD1 3.14Å; R101-D128 PolarHBondContact NH2-OD1 2.82Å; R101-D128 IonicContact NH2-OD2 2.75Å
102	L	96.4	Very high	84.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	109.7	168.2	-168.3	68.2	0	0	0	108.9	F56 F57 F69 Y105 I121 Q124 H218	F56-L102 HydrophobicContact CB-CD1 3.74Å; F56-L102 CarbonylContact O-C 3.44Å; F57-L102 HydrophobicContact CD1-CD1 4.18Å; F57-L102 HydrophobicContact CE1-CD1 3.9Å; F57-L102 HydrophobicContact CZ-CD1 4.31Å; F69-L102 WeakPolarHBondContact CZ-O 3.29Å; L102-Y105 HydrophobicContact CD2-CD1 3.58Å; L102-Y105 HydrophobicContact CD2-CD2 4.18Å; L102-Y105 HydrophobicContact CD2-CE1 3.69Å; L102-Y105 HydrophobicContact CD2-CE2 4.25Å; L102-Y105 HydrophobicContact CD2-CG 3.83Å; L102-Y105 HydrophobicContact CG-CD2 4.4Å; L102-Y105 HydrophobicContact CG-CE2 4.41Å; L102-Y105 HydrophobicContact CG-CG 4.48Å; L102-I121 HydrophobicContact CD1-CG1 3.92Å; L102-I121 HydrophobicContact CD2-CG1 4.11Å; L102-I121 HydrophobicContact CD2-CG2 4.18Å; L102-Q124 HydrophobicContact CB-CG 4.34Å; L102-H218 PolarHBondContact O-CE1 2.92Å
103	K	96.7	Very high	86.7	Confident	16 Å²	16	42.7 Å²	42.7	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-80	-39.4	179.1	-170.5	171.2	-178	171.4	0	111.1	F56 F69 E71 R101 H218 F317 Q321	F56-K103 WeakPolarHBondContact O-CA 3.24Å; F56-K103 PolarHBondContact O-N 2.89Å; F69-K103 HydrophobicContact CD1-CB 3.84Å; F69-K103 HydrophobicContact CD1-CD 3.84Å; F69-K103 HydrophobicContact CD1-CG 3.68Å; F69-K103 HydrophobicContact CD2-CG 4.43Å; F69-K103 HydrophobicContact CE1-CB 3.45Å; F69-K103 VanDerWaalsContact CE1-CB 3.45Å; F69-K103 HydrophobicContact CE1-CD 4.37Å; F69-K103 HydrophobicContact CE1-CG 3.78Å; F69-K103 HydrophobicContact CG-CD 4.21Å; F69-K103 HydrophobicContact CG-CG 4.03Å; F69-K103 VanDerWaalsContact CZ-CA 3.46Å; F69-K103 HydrophobicContact CZ-CB 3.94Å; F69-K103 HydrophobicContact CZ-CG 4.23Å; E71-K103 IonicContact OE1-NZ 3.49Å; E71-K103 PolarHBondContact OE1-NZ 3.14Å; E71-K103 IonicContact OE2-NZ 2.77Å; R101-K103 PolarHBondContact O-N 3.19Å; K103-H218 PolarHBondContact O-NE2 3.3Å; K103-F317 HydrophobicContact CG-CE2 4.12Å; K103-Q321 PolarHBondContact O-NE2 2.91Å
104	F	94.6	Very high	88.5	Confident	23 Å²	23	35.8 Å²	35.8	10%	0.101	19%	0.192	C	C	.	.	S	Bend	trans	-128.4	120.8	-177.1	-53.9	-74.3	0	0	0	111.1	H55 F56 A320 F324	H55-F104 VanDerWaalsContact O-CD2 3.25Å; H55-F104 WeakPolarHBondContact O-CD2 3.23Å; F56-F104 WeakPolarHBondContact CD1-O 3.39Å; F56-F104 PolarHBondContact O-N 3.23Å; F56-F104 VanDerWaalsContact O-N 3.07Å; F104-A320 HydrophobicContact CE1-CB 4.48Å; F104-A320 HydrophobicContact CZ-CB 4.41Å; F104-F324 HydrophobicContact CB-CD1 3.54Å; F104-F324 HydrophobicContact CB-CD2 3.91Å; F104-F324 HydrophobicContact CB-CE1 3.39Å; F104-F324 HydrophobicContact CB-CE2 3.8Å; F104-F324 HydrophobicContact CB-CG 3.79Å; F104-F324 HydrophobicContact CB-CZ 3.54Å; F104-F324 HydrophobicContact CD1-CB 3.43Å; F104-F324 VanDerWaalsContact CD1-CB 3.43Å; F104-F324 AromaticContact CD1-CD1 3.75Å; F104-F324 HydrophobicContact CD1-CD1 3.75Å; F104-F324 AromaticContact CD1-CD2 3.93Å; F104-F324 HydrophobicContact CD1-CD2 3.93Å; F104-F324 HydrophobicContact CD1-CE1 4.49Å; F104-F324 AromaticContact CD1-CG 3.42Å; F104-F324 HydrophobicContact CD1-CG 3.42Å; F104-F324 VanDerWaalsContact CD1-CG 3.42Å; F104-F324 AromaticContact CD2-CD2 3.67Å; F104-F324 HydrophobicContact CD2-CD2 3.67Å; F104-F324 AromaticContact CD2-CE2 3.96Å; F104-F324 HydrophobicContact CD2-CE2 3.96Å; F104-F324 HydrophobicContact CD2-CG 4.05Å; F104-F324 HydrophobicContact CE1-CB 3.48Å; F104-F324 VanDerWaalsContact CE1-CB 3.48Å; F104-F324 HydrophobicContact CE1-CD2 4.35Å; F104-F324 AromaticContact CE1-CG 3.94Å; F104-F324 HydrophobicContact CE1-CG 3.94Å; F104-F324 HydrophobicContact CE2-CD2 4.09Å; F104-F324 HydrophobicContact CE2-CG 4.48Å; F104-F324 HydrophobicContact CG-CB 4Å; F104-F324 AromaticContact CG-CD1 3.75Å; F104-F324 HydrophobicContact CG-CD1 3.75Å; F104-F324 AromaticContact CG-CD2 3.56Å; F104-F324 HydrophobicContact CG-CD2 3.56Å; F104-F324 HydrophobicContact CG-CE1 4.07Å; F104-F324 AromaticContact CG-CE2 3.91Å; F104-F324 HydrophobicContact CG-CE2 3.91Å; F104-F324 AromaticContact CG-CG 3.48Å; F104-F324 HydrophobicContact CG-CG 3.48Å; F104-F324 VanDerWaalsContact CG-CG 3.48Å; F104-F324 HydrophobicContact CG-CZ 4.15Å; F104-F324 HydrophobicContact CZ-CB 4.08Å; F104-F324 HydrophobicContact CZ-CD2 4.41Å; F104-F324 HydrophobicContact CZ-CG 4.43Å
105	Y	92.9	Very high	89.8	Confident	11 Å²	11	39.1 Å²	39.1	4%	0.043	20%	0.203	C	C	.	.			trans	-86.1	119.7	-178.5	-71.4	-110.3	0	0	0	110	L102 V107 Q124 L125 D128 F215 H218 N251	L102-Y105 HydrophobicContact CD2-CD1 3.58Å; L102-Y105 HydrophobicContact CD2-CD2 4.18Å; L102-Y105 HydrophobicContact CD2-CE1 3.69Å; L102-Y105 HydrophobicContact CD2-CE2 4.25Å; L102-Y105 HydrophobicContact CD2-CG 3.83Å; L102-Y105 HydrophobicContact CG-CD2 4.4Å; L102-Y105 HydrophobicContact CG-CE2 4.41Å; L102-Y105 HydrophobicContact CG-CG 4.48Å; Y105-V107 PolarHBondContact O-N 3.01Å; Y105-Q124 PolarHBondContact OH-NE2 3.18Å; Y105-L125 HydrophobicContact CD1-CD2 4.41Å; Y105-L125 HydrophobicContact CE1-CD2 3.84Å; Y105-D128 PolarHBondContact OH-OD2 3.02Å; Y105-D128 VanDerWaalsContact OH-OD2 3.13Å; Y105-F215 HydrophobicContact CD1-CE1 4.44Å; Y105-F215 HydrophobicContact CD1-CE2 4.04Å; Y105-F215 AromaticContact CD1-CZ 3.93Å; Y105-F215 HydrophobicContact CD1-CZ 3.93Å; Y105-H218 AromaticContact CD2-NE2 3.94Å; Y105-H218 AromaticContact CE2-CE1 3.7Å; Y105-H218 AromaticContact CE2-NE2 3.61Å; Y105-N251 PolarHBondContact N-ND2 3.19Å; Y105-N251 PolarHBondContact O-ND2 2.72Å
106	P	86	Confident	90.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.196	C	C	.	.			trans	-67.7	126.8	177.2	26.4	-31.2	0	0	0	110.2	F56 L109 V112 I121 Q210	F56-P106 HydrophobicContact CE1-CB 3.92Å; F56-P106 HydrophobicContact CE1-CG 4.31Å; F56-P106 HydrophobicContact CZ-CB 4.41Å; P106-L109 HydrophobicContact CG-CD2 4.22Å; P106-V112 HydrophobicContact CB-CG2 4.13Å; P106-V112 HydrophobicContact CG-CG2 3.8Å; P106-I121 HydrophobicContact CG-CD1 3.84Å; P106-Q210 PolarHBondContact O-NE2 2.73Å
107	V	80.5	Confident	91.1	Very high	47 Å²	47	39.2 Å²	39.2	29%	0.285	20%	0.196	S	C	.	.	S	Bend	trans	-79.2	-38.2	171.5	-179.9	0	0	0	0	110.1	Y105 Q210 M328	Y105-V107 PolarHBondContact O-N 3.01Å; V107-Q210 PolarHBondContact O-NE2 3.36Å; V107-M328 HydrophobicContact CG2-CE 4.4Å
108	V	81.6	Confident	91.3	Very high	63 Å²	63	38.5 Å²	38.5	38%	0.382	19%	0.189	S	C	.	.	S	Bend	trans	-106.4	115.8	176.6	-179.7	0	0	0	0	108.3	D110 F111 L335	V108-D110 VanDerWaalsContact C-N 3.27Å; V108-D110 HydrophobicContact CG1-CB 4.03Å; V108-D110 PolarHBondContact O-N 2.9Å; V108-F111 HydrophobicContact CB-CD2 3.88Å; V108-F111 HydrophobicContact CB-CE2 3.75Å; V108-F111 HydrophobicContact CB-CZ 4.39Å; V108-F111 HydrophobicContact CG1-CD2 4.46Å; V108-F111 HydrophobicContact CG1-CE2 4.33Å; V108-F111 HydrophobicContact CG2-CE2 4.24Å; V108-F111 PolarHBondContact O-N 3.28Å; V108-L335 HydrophobicContact CG1-CD1 4.28Å
109	L	88.8	Confident	91.3	Very high	21 Å²	21	42.6 Å²	42.6	11%	0.11	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-71	-20	-176.2	-63.1	-176.3	0	0	0	113.3	P106 F111 V112 M118 V203 V206 K207	P106-L109 HydrophobicContact CG-CD2 4.22Å; L109-F111 PolarHBondContact O-N 2.86Å; L109-V112 WeakPolarHBondContact O-CB 3.4Å; L109-V112 PolarHBondContact O-N 3.33Å; L109-M118 HydrophobicContact CB-CE 4.2Å; L109-M118 HydrophobicContact CD1-CE 4.44Å; L109-M118 HydrophobicContact CD2-CE 4.32Å; L109-V203 HydrophobicContact CD1-CG1 4.44Å; L109-V206 HydrophobicContact CD1-CG1 4.11Å; L109-V206 HydrophobicContact CD2-CG1 3.81Å; L109-K207 HydrophobicContact CD1-CG 3.64Å
110	D	85.9	Confident	91.2	Very high	77 Å²	77	40.4 Å²	40.4	41%	0.412	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.9	-15.7	174.3	-74.9	5.9	0	0	0	113.4	V108 V112 L335 R339	V108-D110 VanDerWaalsContact C-N 3.27Å; V108-D110 HydrophobicContact CG1-CB 4.03Å; V108-D110 PolarHBondContact O-N 2.9Å; D110-V112 VanDerWaalsContact C-N 3.31Å; D110-L335 HydrophobicContact CB-CD2 3.78Å; D110-R339 IonicContact OD2-NH1 2.62Å
111	F	84.4	Confident	91.2	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.07	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-78.9	-14.6	171.8	-60.7	-37.9	0	0	0	113.8	F56 V108 L109 M328 W331 A332 L335	F56-F111 HydrophobicContact CZ-CB 4.41Å; V108-F111 HydrophobicContact CB-CD2 3.88Å; V108-F111 HydrophobicContact CB-CE2 3.75Å; V108-F111 HydrophobicContact CB-CZ 4.39Å; V108-F111 HydrophobicContact CG1-CD2 4.46Å; V108-F111 HydrophobicContact CG1-CE2 4.33Å; V108-F111 HydrophobicContact CG2-CE2 4.24Å; V108-F111 PolarHBondContact O-N 3.28Å; L109-F111 PolarHBondContact O-N 2.86Å; F111-M328 HydrophobicContact CD2-CG 4.5Å; F111-M328 HydrophobicContact CD2-SD 4.4Å; F111-M328 HydrophobicContact CE2-CB 4.28Å; F111-W331 HydrophobicContact CB-CE3 4.23Å; F111-W331 HydrophobicContact CD1-CB 3.96Å; F111-W331 HydrophobicContact CD1-CE3 4.38Å; F111-W331 HydrophobicContact CD2-CE3 4.2Å; F111-W331 HydrophobicContact CE1-CB 3.52Å; F111-W331 HydrophobicContact CE2-CB 4.38Å; F111-W331 HydrophobicContact CG-CE3 4.03Å; F111-W331 HydrophobicContact CZ-CB 3.76Å; F111-A332 HydrophobicContact CZ-CB 4.2Å; F111-L335 HydrophobicContact CD1-CD2 4.36Å; F111-L335 HydrophobicContact CE1-CD1 3.71Å; F111-L335 HydrophobicContact CE1-CD2 4.11Å; F111-L335 HydrophobicContact CE1-CG 3.84Å; F111-L335 HydrophobicContact CZ-CD1 4.03Å
112	V	89.5	Confident	91.2	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	19%	0.193	C	C	.	.			trans	-89.8	106.9	173.9	-177.4	0	0	0	0	107.9	F56 P106 L109 D110 T117 M118 I121	F56-V112 HydrophobicContact CE2-CG2 4.24Å; F56-V112 HydrophobicContact CZ-CG2 4.19Å; P106-V112 HydrophobicContact CB-CG2 4.13Å; P106-V112 HydrophobicContact CG-CG2 3.8Å; L109-V112 WeakPolarHBondContact O-CB 3.4Å; L109-V112 PolarHBondContact O-N 3.33Å; D110-V112 VanDerWaalsContact C-N 3.31Å; V112-T117 HydrophobicContact CG1-CG2 3.66Å; V112-M118 HydrophobicContact CB-CE 3.84Å; V112-M118 HydrophobicContact CG1-CB 4.2Å; V112-M118 HydrophobicContact CG1-CE 3.82Å; V112-M118 HydrophobicContact CG2-CE 4.36Å; V112-I121 HydrophobicContact CG1-CD1 4.3Å; V112-I121 HydrophobicContact CG2-CD1 3.75Å
113	K	88.6	Confident	91.2	Very high	179 Å²	179	40 Å²	40	78%	0.778	20%	0.197	S	C	*	.			trans	-92.5	-20.1	-168.6	-61.3	-177.8	-179.8	-177.3	0	113.8	E53	E53-K113 VanDerWaalsContact CD-N 3.31Å; E53-K113 WeakPolarHBondContact OE1-CB 3.34Å; E53-K113 PolarHBondContact OE1-N 2.86Å; E53-K113 PolarHBondContact OE2-N 3.2Å; E53-K113 VanDerWaalsContact OE2-N 3.13Å
114	T	92.6	Very high	91.1	Very high	45 Å²	45	39.3 Å²	39.3	28%	0.276	19%	0.194	S	C	.	.			trans	-119	137.7	-173.8	61.9	0	0	0	0	111.1	E53 L116 T117 M118	E53-T114 WeakPolarHBondContact OE2-CB 3.29Å; E53-T114 PolarHBondContact OE2-N 3.04Å; E53-T114 PolarHBondContact OE2-OG1 3.13Å; T114-L116 PolarHBondContact O-N 2.87Å; T114-T117 PolarHBondContact O-N 3.04Å; T114-T117 VanDerWaalsContact O-N 3.1Å; T114-T117 WeakPolarHBondContact OG1-CB 3.28Å; T114-T117 PolarHBondContact OG1-N 2.9Å; T114-T117 PolarHBondContact OG1-OG1 3.46Å; T114-M118 PolarHBondContact O-N 2.97Å; T114-M118 VanDerWaalsContact O-N 3.13Å
115	E	91.4	Very high	91.3	Very high	135 Å²	135	38.3 Å²	38.3	63%	0.631	19%	0.189	S	C	*	.	H	α-helix	trans	-55.7	-37.2	174.2	-64.4	177.1	-175.8	0	0	111.1	T117 M118 Y119	E115-T117 PolarHBondContact O-N 3.13Å; E115-M118 WeakPolarHBondContact O-CB 3.34Å; E115-M118 PolarHBondContact O-N 2.82Å; E115-Y119 WeakPolarHBondContact O-CB 3.25Å; E115-Y119 PolarHBondContact O-N 2.85Å
116	L	92.8	Very high	91.4	Very high	61 Å²	61	38.6 Å²	38.6	32%	0.319	19%	0.19	S	C	.	.	H	α-helix	trans	-61.1	-43.2	177	-171.7	64.7	0	0	0	112.5	N50 T114 Y119 H120	N50-L116 HydrophobicContact CB-CD2 4.05Å; N50-L116 VanDerWaalsContact O-CD2 3.28Å; N50-L116 WeakPolarHBondContact O-CD2 3.45Å; T114-L116 PolarHBondContact O-N 2.87Å; L116-Y119 PolarHBondContact O-N 3.21Å; L116-H120 PolarHBondContact O-N 2.94Å; L116-H120 VanDerWaalsContact O-N 3.09Å; L116-H120 PolarHBondContact O-ND1 3.43Å
117	T	94.4	Very high	91.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-40.1	175.9	-61.3	0	0	0	0	111	E53 F56 F57 V112 T114 E115 H120 I121	E53-T117 HydrophobicContact CB-CG2 4.18Å; E53-T117 WeakPolarHBondContact CB-OG1 3.46Å; E53-T117 VanDerWaalsContact OE2-CB 3.3Å; E53-T117 WeakPolarHBondContact OE2-CB 3.45Å; E53-T117 PolarHBondContact OE2-OG1 3.45Å; F56-T117 HydrophobicContact CD2-CG2 3.98Å; F56-T117 HydrophobicContact CE2-CG2 4.41Å; F57-T117 HydrophobicContact CE2-CG2 3.98Å; F57-T117 HydrophobicContact CZ-CG2 4.1Å; V112-T117 HydrophobicContact CG1-CG2 3.66Å; T114-T117 PolarHBondContact O-N 3.04Å; T114-T117 VanDerWaalsContact O-N 3.1Å; T114-T117 WeakPolarHBondContact OG1-CB 3.28Å; T114-T117 PolarHBondContact OG1-N 2.9Å; T114-T117 PolarHBondContact OG1-OG1 3.46Å; E115-T117 PolarHBondContact O-N 3.13Å; T117-H120 PolarHBondContact O-N 3.33Å; T117-I121 HydrophobicContact CG2-CD1 4.13Å; T117-I121 WeakPolarHBondContact O-CG1 3.48Å; T117-I121 PolarHBondContact O-N 3.43Å
118	M	95.1	Very high	92.4	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-46.5	175.9	-169.8	61.9	68.2	0	0	111.5	L109 V112 T114 E115 H120 I121 Y122 V203 V206	L109-M118 HydrophobicContact CB-CE 4.2Å; L109-M118 HydrophobicContact CD1-CE 4.44Å; L109-M118 HydrophobicContact CD2-CE 4.32Å; V112-M118 HydrophobicContact CB-CE 3.84Å; V112-M118 HydrophobicContact CG1-CB 4.2Å; V112-M118 HydrophobicContact CG1-CE 3.82Å; V112-M118 HydrophobicContact CG2-CE 4.36Å; T114-M118 PolarHBondContact O-N 2.97Å; T114-M118 VanDerWaalsContact O-N 3.13Å; E115-M118 WeakPolarHBondContact O-CB 3.34Å; E115-M118 PolarHBondContact O-N 2.82Å; M118-H120 VanDerWaalsContact C-N 3.32Å; M118-H120 PolarHBondContact O-N 2.76Å; M118-I121 WeakPolarHBondContact O-CB 3.12Å; M118-I121 PolarHBondContact O-N 3.41Å; M118-I121 VanDerWaalsContact O-N 3.09Å; M118-Y122 PolarHBondContact O-N 2.79Å; M118-V203 HydrophobicContact CE-CG2 4.25Å; M118-V203 HydrophobicContact CG-CG2 3.72Å; M118-V203 HydrophobicContact SD-CG2 4.18Å; M118-V206 HydrophobicContact SD-CB 4.37Å; M118-V206 HydrophobicContact SD-CG1 4.39Å; M118-V206 HydrophobicContact SD-CG2 4.1Å
119	Y	95.6	Very high	93.1	Very high	87 Å²	87	37.6 Å²	37.6	34%	0.341	18%	0.178	S	C	.	.	H	α-helix	trans	-58.3	-42	175.8	177.7	-115.4	0	0	0	112.3	E115 L116 I121 Y122 L123 E202	E115-Y119 WeakPolarHBondContact O-CB 3.25Å; E115-Y119 PolarHBondContact O-N 2.85Å; L116-Y119 PolarHBondContact O-N 3.21Å; Y119-I121 PolarHBondContact O-N 3.45Å; Y119-Y122 HydrophobicContact CD2-CD1 4.04Å; Y119-Y122 HydrophobicContact CE2-CD1 4.12Å; Y119-Y122 HydrophobicContact CE2-CE1 4.38Å; Y119-Y122 WeakPolarHBondContact O-CB 3.38Å; Y119-Y122 PolarHBondContact O-N 2.74Å; Y119-L123 HydrophobicContact CD1-CD1 3.93Å; Y119-L123 HydrophobicContact CD1-CG 4.49Å; Y119-L123 HydrophobicContact CD2-CG 4.47Å; Y119-L123 HydrophobicContact CE1-CD1 3.43Å; Y119-L123 VanDerWaalsContact CE1-CD1 3.43Å; Y119-L123 HydrophobicContact CE1-CG 4.13Å; Y119-L123 HydrophobicContact CE2-CD1 4.3Å; Y119-L123 HydrophobicContact CE2-CD2 4.18Å; Y119-L123 HydrophobicContact CE2-CG 4.1Å; Y119-L123 WeakPolarHBondContact O-CG 3.18Å; Y119-L123 PolarHBondContact O-N 2.8Å; Y119-E202 HydrophobicContact CD2-CG 4.49Å; Y119-E202 VanDerWaalsContact CD2-OE1 3.27Å; Y119-E202 WeakPolarHBondContact CD2-OE1 3.3Å
120	H	94.3	Very high	93.3	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-34.3	175.6	-76.1	81.6	0	0	0	112.9	L23 F57 L116 T117 M118 Q124	L23-H120 HydrophobicContact CD1-CB 3.96Å; F57-H120 HydrophobicContact CE1-CB 3.87Å; F57-H120 HydrophobicContact CZ-CB 3.74Å; L116-H120 PolarHBondContact O-N 2.94Å; L116-H120 VanDerWaalsContact O-N 3.09Å; L116-H120 PolarHBondContact O-ND1 3.43Å; T117-H120 PolarHBondContact O-N 3.33Å; M118-H120 VanDerWaalsContact C-N 3.32Å; M118-H120 PolarHBondContact O-N 2.76Å; H120-Q124 PolarHBondContact O-N 2.93Å; H120-Q124 VanDerWaalsContact O-N 3.1Å
121	I	95.6	Very high	93.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-45.4	172.9	-66.5	164.5	0	0	0	110	L102 P106 V112 T117 M118 Y119 L123 Q124 L125 V206	L102-I121 HydrophobicContact CD1-CG1 3.92Å; L102-I121 HydrophobicContact CD2-CG1 4.11Å; L102-I121 HydrophobicContact CD2-CG2 4.18Å; P106-I121 HydrophobicContact CG-CD1 3.84Å; V112-I121 HydrophobicContact CG1-CD1 4.3Å; V112-I121 HydrophobicContact CG2-CD1 3.75Å; T117-I121 HydrophobicContact CG2-CD1 4.13Å; T117-I121 WeakPolarHBondContact O-CG1 3.48Å; T117-I121 PolarHBondContact O-N 3.43Å; M118-I121 WeakPolarHBondContact O-CB 3.12Å; M118-I121 PolarHBondContact O-N 3.41Å; M118-I121 VanDerWaalsContact O-N 3.09Å; Y119-I121 PolarHBondContact O-N 3.45Å; I121-L123 PolarHBondContact O-N 2.98Å; I121-Q124 PolarHBondContact O-N 3.14Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 HydrophobicContact CG2-CG 4.49Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3Å; I121-V206 HydrophobicContact CG2-CG1 3.93Å; I121-V206 HydrophobicContact CG2-CG2 3.99Å
122	Y	97.5	Very high	93.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-53.1	-52.9	172.9	160.5	-101.9	0	0	0	111	M118 Y119 Q124 L125 R126 A151 E152 E202 Y205	M118-Y122 PolarHBondContact O-N 2.79Å; Y119-Y122 HydrophobicContact CD2-CD1 4.04Å; Y119-Y122 HydrophobicContact CE2-CD1 4.12Å; Y119-Y122 HydrophobicContact CE2-CE1 4.38Å; Y119-Y122 WeakPolarHBondContact O-CB 3.38Å; Y119-Y122 PolarHBondContact O-N 2.74Å; Y122-Q124 PolarHBondContact O-N 2.8Å; Y122-L125 PolarHBondContact O-N 2.79Å; Y122-R126 VanDerWaalsContact O-CB 3.3Å; Y122-R126 WeakPolarHBondContact O-CB 3.12Å; Y122-R126 PolarHBondContact O-N 2.66Å; Y122-A151 HydrophobicContact CE2-CB 4.42Å; Y122-E152 PolarHBondContact OH-OE1 3.1Å; Y122-E202 HydrophobicContact CD1-CG 4.05Å; Y122-E202 HydrophobicContact CD2-CB 4.47Å; Y122-E202 HydrophobicContact CD2-CG 4.32Å; Y122-E202 HydrophobicContact CG-CB 4.26Å; Y122-E202 HydrophobicContact CG-CG 3.95Å; Y122-Y205 AromaticContact CD2-CD1 3.67Å; Y122-Y205 HydrophobicContact CD2-CD1 3.67Å; Y122-Y205 HydrophobicContact CD2-CD2 4.3Å; Y122-Y205 HydrophobicContact CD2-CE1 4.28Å; Y122-Y205 AromaticContact CD2-CG 3.7Å; Y122-Y205 HydrophobicContact CD2-CG 3.7Å; Y122-Y205 AromaticContact CE2-CD1 3.98Å; Y122-Y205 HydrophobicContact CE2-CD1 3.98Å; Y122-Y205 AromaticContact CE2-CD2 3.83Å; Y122-Y205 HydrophobicContact CE2-CD2 3.83Å; Y122-Y205 HydrophobicContact CE2-CE1 4.36Å; Y122-Y205 HydrophobicContact CE2-CE2 4.2Å; Y122-Y205 AromaticContact CE2-CG 3.72Å; Y122-Y205 HydrophobicContact CE2-CG 3.72Å
123	L	96.1	Very high	93.8	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-45	-179.7	-73.1	176.3	0	0	0	112.6	L23 N24 Y119 I121 L125 R126 H127	L23-L123 HydrophobicContact CB-CB 4.31Å; N24-L123 HydrophobicContact CB-CD1 3.88Å; Y119-L123 HydrophobicContact CD1-CD1 3.93Å; Y119-L123 HydrophobicContact CD1-CG 4.49Å; Y119-L123 HydrophobicContact CD2-CG 4.47Å; Y119-L123 HydrophobicContact CE1-CD1 3.43Å; Y119-L123 VanDerWaalsContact CE1-CD1 3.43Å; Y119-L123 HydrophobicContact CE1-CG 4.13Å; Y119-L123 HydrophobicContact CE2-CD1 4.3Å; Y119-L123 HydrophobicContact CE2-CD2 4.18Å; Y119-L123 HydrophobicContact CE2-CG 4.1Å; Y119-L123 WeakPolarHBondContact O-CG 3.18Å; Y119-L123 PolarHBondContact O-N 2.8Å; I121-L123 PolarHBondContact O-N 2.98Å; L123-L125 PolarHBondContact O-N 2.91Å; L123-R126 WeakPolarHBondContact O-CB 3.5Å; L123-R126 PolarHBondContact O-N 3.11Å; L123-H127 PolarHBondContact O-CD2 2.79Å; L123-H127 PolarHBondContact O-N 3.27Å
124	Q	96	Very high	94	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-45.5	177.3	177.3	142.3	-34.6	0	0	111.8	L23 R101 L102 Y105 H120 I121 Y122 R126 H127 D128	L23-Q124 HydrophobicContact CD1-CB 4.41Å; L23-Q124 HydrophobicContact CD2-CB 3.99Å; L23-Q124 HydrophobicContact CD2-CG 4.48Å; R101-Q124 VanDerWaalsContact CA-OE1 3.22Å; R101-Q124 VanDerWaalsContact CZ-NE2 3.34Å; R101-Q124 VanDerWaalsContact NH1-CD 3.31Å; L102-Q124 HydrophobicContact CB-CG 4.34Å; Y105-Q124 PolarHBondContact OH-NE2 3.18Å; H120-Q124 PolarHBondContact O-N 2.93Å; H120-Q124 VanDerWaalsContact O-N 3.1Å; I121-Q124 PolarHBondContact O-N 3.14Å; Y122-Q124 PolarHBondContact O-N 2.8Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.16Å; Q124-H127 PolarHBondContact O-N 3.21Å; Q124-D128 WeakPolarHBondContact CG-OD2 3.35Å; Q124-D128 WeakPolarHBondContact O-CB 3.43Å; Q124-D128 PolarHBondContact O-N 3.43Å
125	L	97.2	Very high	94	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-36.5	179.9	-68.8	167.6	0	0	0	111.9	Y105 I121 Y122 L123 D128 I129 L134 Y205 V206 C209 F215	Y105-L125 HydrophobicContact CD1-CD2 4.41Å; Y105-L125 HydrophobicContact CE1-CD2 3.84Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 HydrophobicContact CG2-CG 4.49Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3Å; Y122-L125 PolarHBondContact O-N 2.79Å; L123-L125 PolarHBondContact O-N 2.91Å; L125-D128 PolarHBondContact O-N 2.66Å; L125-I129 WeakPolarHBondContact O-CD1 3.36Å; L125-I129 WeakPolarHBondContact O-CG1 3.22Å; L125-I129 PolarHBondContact O-N 2.78Å; L125-L134 HydrophobicContact CD2-CD2 3.82Å; L125-Y205 HydrophobicContact CB-CE1 4.15Å; L125-V206 HydrophobicContact CD1-CB 4.36Å; L125-V206 HydrophobicContact CD1-CG1 4.08Å; L125-V206 HydrophobicContact CD1-CG2 4.08Å; L125-C209 HydrophobicContact CD1-CB 3.83Å; L125-C209 HydrophobicContact CD2-CB 4.23Å; L125-C209 HydrophobicContact CG-CB 4.45Å; L125-F215 HydrophobicContact CD1-CE2 3.98Å; L125-F215 HydrophobicContact CD2-CD2 4.07Å; L125-F215 HydrophobicContact CD2-CE2 3.87Å
126	R	96	Very high	93.9	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-50.6	172.4	-175.9	76.4	-162	84.6	23.9	110.8	Y122 L123 Q124 I129 M130 S167 Y168 Y205	Y122-R126 VanDerWaalsContact O-CB 3.3Å; Y122-R126 WeakPolarHBondContact O-CB 3.12Å; Y122-R126 PolarHBondContact O-N 2.66Å; L123-R126 WeakPolarHBondContact O-CB 3.5Å; L123-R126 PolarHBondContact O-N 3.11Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.16Å; R126-I129 PolarHBondContact O-N 3.26Å; R126-M130 PolarHBondContact NH1-SD 2.69Å; R126-M130 VanDerWaalsContact NH2-CG 3.28Å; R126-M130 PolarHBondContact NH2-SD 2.89Å; R126-M130 WeakPolarHBondContact O-CG 3.34Å; R126-M130 PolarHBondContact O-N 3.39Å; R126-M130 VanDerWaalsContact O-N 3.14Å; R126-S167 PolarHBondContact NH2-O 3.38Å; R126-Y168 VanDerWaalsContact NH2-CA 3.25Å; R126-Y205 WeakPolarHBondContact CA-OH 3.42Å
127	H	93.5	Very high	93.8	Very high	79 Å²	79	35.9 Å²	35.9	37%	0.366	17%	0.167	S	C	.	.	H	α-helix	trans	-64.8	-44	175.5	-76.4	-63.6	0	0	0	112.7	L23 L123 Q124 I129 M130 D131	L23-H127 PolarHBondContact O-NE2 2.75Å; L123-H127 PolarHBondContact O-CD2 2.79Å; L123-H127 PolarHBondContact O-N 3.27Å; Q124-H127 PolarHBondContact O-N 3.21Å; H127-I129 VanDerWaalsContact C-N 3.25Å; H127-I129 PolarHBondContact O-N 2.63Å; H127-M130 PolarHBondContact O-N 2.89Å; H127-M130 VanDerWaalsContact O-N 3.17Å; H127-D131 WeakPolarHBondContact O-CB 3.41Å; H127-D131 PolarHBondContact O-N 3.39Å
128	D	94.8	Very high	93.7	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-62.9	-32.3	-178.9	-72.8	-16.7	0	0	0	111.9	R101 Y105 Q124 L125 E132 R133 L134	R101-D128 IonicContact CZ-OD1 3.14Å; R101-D128 VanDerWaalsContact CZ-OD1 3.24Å; R101-D128 IonicContact NH1-OD1 3.88Å; R101-D128 PolarHBondContact NH1-OD1 3.46Å; R101-D128 IonicContact NH1-OD2 3.36Å; R101-D128 IonicContact NH2-OD1 3.14Å; R101-D128 PolarHBondContact NH2-OD1 2.82Å; R101-D128 IonicContact NH2-OD2 2.75Å; Y105-D128 PolarHBondContact OH-OD2 3.02Å; Y105-D128 VanDerWaalsContact OH-OD2 3.13Å; Q124-D128 WeakPolarHBondContact CG-OD2 3.35Å; Q124-D128 WeakPolarHBondContact O-CB 3.43Å; Q124-D128 PolarHBondContact O-N 3.43Å; L125-D128 PolarHBondContact O-N 2.66Å; D128-E132 PolarHBondContact O-N 3.37Å; D128-R133 HydrophobicContact CB-CB 4.28Å; D128-R133 WeakPolarHBondContact O-CA 3.16Å; D128-R133 PolarHBondContact O-N 2.88Å; D128-L134 HydrophobicContact CB-CB 3.95Å; D128-L134 PolarHBondContact O-N 3.19Å
129	I	95	Very high	93.6	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-47.3	172.6	-73.5	161.1	0	0	0	111.1	L125 R126 H127 D131 E132 L134 L144 P170 Y205 L212	L125-I129 WeakPolarHBondContact O-CD1 3.36Å; L125-I129 WeakPolarHBondContact O-CG1 3.22Å; L125-I129 PolarHBondContact O-N 2.78Å; R126-I129 PolarHBondContact O-N 3.26Å; H127-I129 VanDerWaalsContact C-N 3.25Å; H127-I129 PolarHBondContact O-N 2.63Å; I129-D131 VanDerWaalsContact C-N 3.33Å; I129-D131 PolarHBondContact O-N 3.3Å; I129-E132 PolarHBondContact O-N 2.81Å; I129-E132 VanDerWaalsContact O-N 3.08Å; I129-L134 HydrophobicContact CD1-CD2 4.41Å; I129-L134 HydrophobicContact CG1-CB 4.31Å; I129-L134 HydrophobicContact CG1-CD2 4.09Å; I129-L134 HydrophobicContact CG1-CG 4.16Å; I129-L144 HydrophobicContact CD1-CD1 3.67Å; I129-P170 HydrophobicContact CG2-CG 4.14Å; I129-P170 VanDerWaalsContact O-CG 3.29Å; I129-P170 WeakPolarHBondContact O-CG 3.32Å; I129-Y205 HydrophobicContact CD1-CE1 4.11Å; I129-Y205 WeakPolarHBondContact CD1-OH 3.46Å; I129-L212 HydrophobicContact CD1-CD1 4.44Å
130	M	93	Very high	93.6	Very high	37 Å²	37	39.5 Å²	39.5	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-37.9	-179.4	-69.2	-56.6	-69.7	0	0	113.2	R126 H127 E132 Q166 L169	R126-M130 PolarHBondContact NH1-SD 2.69Å; R126-M130 VanDerWaalsContact NH2-CG 3.28Å; R126-M130 PolarHBondContact NH2-SD 2.89Å; R126-M130 WeakPolarHBondContact O-CG 3.34Å; R126-M130 PolarHBondContact O-N 3.39Å; R126-M130 VanDerWaalsContact O-N 3.14Å; H127-M130 PolarHBondContact O-N 2.89Å; H127-M130 VanDerWaalsContact O-N 3.17Å; M130-E132 PolarHBondContact O-N 3.07Å; M130-Q166 VanDerWaalsContact CE-O 3.23Å; M130-Q166 WeakPolarHBondContact CE-O 3.41Å; M130-L169 WeakPolarHBondContact CE-O 3.47Å
131	D	89.5	Confident	93.6	Very high	92 Å²	92	39.1 Å²	39.1	49%	0.492	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4.8	177	-68.1	-12	0	0	0	112.7	H127 I129 R133	H127-D131 WeakPolarHBondContact O-CB 3.41Å; H127-D131 PolarHBondContact O-N 3.39Å; I129-D131 VanDerWaalsContact C-N 3.33Å; I129-D131 PolarHBondContact O-N 3.3Å; D131-R133 HydrophobicContact CB-CG 4.02Å; D131-R133 PolarHBondContact O-N 2.83Å
132	E	90.1	Very high	93.7	Very high	90 Å²	90	39.1 Å²	39.1	42%	0.421	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	23.7	-177.6	-57.1	-178.7	95.4	0	0	113.6	D128 I129 M130 P170 A172	D128-E132 PolarHBondContact O-N 3.37Å; I129-E132 PolarHBondContact O-N 2.81Å; I129-E132 VanDerWaalsContact O-N 3.08Å; M130-E132 PolarHBondContact O-N 3.07Å; E132-P170 HydrophobicContact CG-CB 3.9Å; E132-A172 WeakPolarHBondContact OE1-CB 3.46Å
133	R	91.4	Very high	93.6	Very high	77 Å²	77	43.2 Å²	43.2	29%	0.291	21%	0.207	S	C	.	.	S	Bend	trans	-75.7	-28.6	173.8	-68.3	-177.1	172	-81.7	1.1	112.1	G65 Y67 D128 D131 R264	G65-R133 PolarHBondContact O-NH1 3.35Å; G65-R133 PolarHBondContact O-NH2 2.8Å; Y67-R133 VanDerWaalsContact CE2-CZ 3.42Å; D128-R133 HydrophobicContact CB-CB 4.28Å; D128-R133 WeakPolarHBondContact O-CA 3.16Å; D128-R133 PolarHBondContact O-N 2.88Å; D131-R133 HydrophobicContact CB-CG 4.02Å; D131-R133 PolarHBondContact O-N 2.83Å; R133-R264 PolarHBondContact O-NH2 3.19Å
134	L	93.5	Very high	93.7	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-114.5	104.2	170.3	172.7	53.6	0	0	0	107.9	L125 D128 I129 L212 E214	L125-L134 HydrophobicContact CD2-CD2 3.82Å; D128-L134 HydrophobicContact CB-CB 3.95Å; D128-L134 PolarHBondContact O-N 3.19Å; I129-L134 HydrophobicContact CD1-CD2 4.41Å; I129-L134 HydrophobicContact CG1-CB 4.31Å; I129-L134 HydrophobicContact CG1-CD2 4.09Å; I129-L134 HydrophobicContact CG1-CG 4.16Å; L134-L212 HydrophobicContact CD1-CB 4.18Å; L134-L212 HydrophobicContact CD1-CD1 4.14Å; L134-L212 HydrophobicContact CD2-CD1 3.94Å; L134-L212 HydrophobicContact CG-CD1 3.91Å; L134-E214 HydrophobicContact CD1-CB 3.76Å
135	Q	90.8	Very high	93.8	Very high	42 Å²	42	42.5 Å²	42.5	20%	0.196	20%	0.203	C	C	.	.			trans	-75.4	138.5	-178	-60	-174.2	-26.6	0	0	110.5	E214 G262 R264	Q135-E214 VanDerWaalsContact CB-OE2 3.28Å; Q135-E214 WeakPolarHBondContact CB-OE2 3.3Å; Q135-E214 WeakPolarHBondContact CG-OE2 3.38Å; Q135-E214 PolarHBondContact N-OE2 3.08Å; Q135-G262 PolarHBondContact NE2-O 3.26Å; Q135-R264 VanDerWaalsContact OE1-N 3.12Å
136	C	90.9	Very high	93.8	Very high	20 Å²	20	42.5 Å²	42.5	14%	0.135	20%	0.203	C	C	.	.			trans	-135.5	155.8	174.3	59.1	0	0	0	0	110.7	L212	C136-L212 HydrophobicContact CB-CD1 3.94Å; C136-L212 HydrophobicContact CB-CD2 3.72Å; C136-L212 HydrophobicContact CB-CG 4.49Å
137	E	90.8	Very high	93.9	Very high	146 Å²	146	42 Å²	42	68%	0.682	20%	0.202	S	C	*	.			trans	-73.6	159.9	172.3	-65.3	177.3	-176.7	0	0	110.7	E139 S140 A141	E137-E139 PolarHBondContact O-N 3.45Å; E137-S140 WeakPolarHBondContact O-CB 3.21Å; E137-S140 PolarHBondContact O-N 2.73Å; E137-S140 VanDerWaalsContact O-N 3.14Å; E137-A141 PolarHBondContact O-N 3.24Å
138	Q	91.3	Very high	94.1	Very high	59 Å²	59	38.2 Å²	38.2	28%	0.276	18%	0.184	S	C	.	.	H	α-helix	trans	-54.3	-53.8	-176.6	-172.2	175.7	0.3	0	0	111.9	S140 A141 Y142 F173 Q176	Q138-S140 VanDerWaalsContact C-N 3.26Å; Q138-S140 PolarHBondContact O-N 2.74Å; Q138-A141 WeakPolarHBondContact O-CB 3.31Å; Q138-A141 PolarHBondContact O-N 2.81Å; Q138-Y142 HydrophobicContact CG-CD2 4.01Å; Q138-Y142 HydrophobicContact CG-CE2 3.69Å; Q138-Y142 VanDerWaalsContact O-CD2 3.29Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.16Å; Q138-Y142 PolarHBondContact O-N 2.89Å; Q138-Y142 VanDerWaalsContact O-N 3.1Å; Q138-F173 HydrophobicContact CB-CD1 4.09Å; Q138-F173 HydrophobicContact CB-CE1 3.86Å; Q138-F173 HydrophobicContact CG-CD1 3.93Å; Q138-F173 HydrophobicContact CG-CE1 4.23Å; Q138-Q176 VanDerWaalsContact NE2-OE1 3.08Å
139	E	93.5	Very high	94.2	Very high	98 Å²	98	37.9 Å²	37.9	46%	0.458	18%	0.183	S	C	.	.	H	α-helix	trans	-56.4	-41.6	179.6	-68.6	-55.3	135	0	0	112.7	E137 A141 Y142 Q143 R185	E137-E139 PolarHBondContact O-N 3.45Å; E139-A141 PolarHBondContact O-N 3.21Å; E139-Y142 PolarHBondContact O-N 3.05Å; E139-Q143 WeakPolarHBondContact O-CG 3.38Å; E139-Q143 PolarHBondContact O-N 2.88Å; E139-Q143 VanDerWaalsContact O-N 3.13Å; E139-R185 IonicContact OE1-CZ 3.19Å; E139-R185 IonicContact OE1-NH1 3.73Å; E139-R185 IonicContact OE1-NH2 2.73Å; E139-R185 PolarHBondContact OE1-NH2 2.69Å; E139-R185 IonicContact OE2-NH2 3.49Å; E139-R185 PolarHBondContact OE2-NH2 3.46Å
140	S	94.8	Very high	94.4	Very high	23 Å²	23	37.7 Å²	37.7	16%	0.161	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-40.7	176.6	-63.4	0	0	0	0	112.1	E137 Q138 Y142 Q143 L144	E137-S140 WeakPolarHBondContact O-CB 3.21Å; E137-S140 PolarHBondContact O-N 2.73Å; E137-S140 VanDerWaalsContact O-N 3.14Å; Q138-S140 VanDerWaalsContact C-N 3.26Å; Q138-S140 PolarHBondContact O-N 2.74Å; S140-Y142 PolarHBondContact O-N 2.75Å; S140-Q143 PolarHBondContact O-N 3.34Å; S140-L144 WeakPolarHBondContact O-CB 3.37Å; S140-L144 WeakPolarHBondContact O-CD1 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.22Å; S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 2.82Å
141	A	95.4	Very high	94.5	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-41.9	176.4	0	0	0	0	0	112.1	E137 Q138 E139 L144 A145 L169 F173	E137-A141 PolarHBondContact O-N 3.24Å; Q138-A141 WeakPolarHBondContact O-CB 3.31Å; Q138-A141 PolarHBondContact O-N 2.81Å; E139-A141 PolarHBondContact O-N 3.21Å; A141-L144 PolarHBondContact O-N 3.35Å; A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.25Å; A141-L169 HydrophobicContact CB-CD2 3.9Å; A141-L169 WeakPolarHBondContact O-CD2 3.2Å; A141-F173 HydrophobicContact CB-CD2 4.13Å; A141-F173 HydrophobicContact CB-CE1 4.47Å; A141-F173 HydrophobicContact CB-CE2 3.8Å; A141-F173 HydrophobicContact CB-CZ 3.98Å
142	Y	96.3	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-40.1	177.6	-83.5	-99	0	0	0	112.8	Q138 E139 S140 A145 A146 L169 I182 R185 L186 M189	Q138-Y142 HydrophobicContact CG-CD2 4.01Å; Q138-Y142 HydrophobicContact CG-CE2 3.69Å; Q138-Y142 VanDerWaalsContact O-CD2 3.29Å; Q138-Y142 WeakPolarHBondContact O-CD2 3.16Å; Q138-Y142 PolarHBondContact O-N 2.89Å; Q138-Y142 VanDerWaalsContact O-N 3.1Å; E139-Y142 PolarHBondContact O-N 3.05Å; S140-Y142 PolarHBondContact O-N 2.75Å; Y142-A145 PolarHBondContact O-N 2.94Å; Y142-A146 PolarHBondContact O-N 3.5Å; Y142-L169 HydrophobicContact CD1-CD1 4.43Å; Y142-L169 HydrophobicContact CE1-CD1 4.09Å; Y142-L169 HydrophobicContact CE2-CD1 4.35Å; Y142-I182 HydrophobicContact CE1-CG2 4.09Å; Y142-R185 HydrophobicContact CD1-CG 4.06Å; Y142-R185 HydrophobicContact CE1-CB 4.36Å; Y142-R185 HydrophobicContact CE1-CG 4.08Å; Y142-L186 HydrophobicContact CD1-CD2 3.72Å; Y142-L186 HydrophobicContact CD1-CG 4.05Å; Y142-L186 HydrophobicContact CE1-CD2 4.44Å; Y142-L186 HydrophobicContact CE1-CG 4.31Å; Y142-L186 HydrophobicContact CG-CD2 4.39Å; Y142-M189 HydrophobicContact CD1-SD 4.35Å
143	Q	96.9	Very high	95	Very high	88 Å²	88	35.1 Å²	35.1	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-66.5	-43.2	176.3	-70.8	179.7	1.1	0	0	111.6	E139 S140 A146 L147 M189 M208	E139-Q143 WeakPolarHBondContact O-CG 3.38Å; E139-Q143 PolarHBondContact O-N 2.88Å; E139-Q143 VanDerWaalsContact O-N 3.13Å; S140-Q143 PolarHBondContact O-N 3.34Å; Q143-A146 PolarHBondContact O-N 3.48Å; Q143-L147 PolarHBondContact O-N 3.33Å; Q143-M189 HydrophobicContact CB-CE 4.16Å; Q143-M189 HydrophobicContact CG-CE 3.56Å; Q143-M208 HydrophobicContact CB-CE 3.56Å; Q143-M208 HydrophobicContact CB-SD 3.55Å; Q143-M208 VanDerWaalsContact CB-SD 3.55Å; Q143-M208 HydrophobicContact CG-CE 4.3Å
144	L	97.7	Very high	95.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-44	174.6	-71	162.6	0	0	0	111.1	I129 S140 A141 A146 L147 A148 Y205 M208 L212	I129-L144 HydrophobicContact CD1-CD1 3.67Å; S140-L144 WeakPolarHBondContact O-CB 3.37Å; S140-L144 WeakPolarHBondContact O-CD1 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.22Å; S140-L144 WeakPolarHBondContact O-CG 3.36Å; S140-L144 PolarHBondContact O-N 2.82Å; A141-L144 PolarHBondContact O-N 3.35Å; L144-A146 VanDerWaalsContact C-N 3.32Å; L144-A146 PolarHBondContact O-N 3.06Å; L144-L147 PolarHBondContact O-N 2.8Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.35Å; L144-Y205 HydrophobicContact CB-CD2 4.33Å; L144-Y205 HydrophobicContact CB-CE2 3.73Å; L144-Y205 HydrophobicContact CD2-CD1 4.12Å; L144-Y205 HydrophobicContact CD2-CD2 3.92Å; L144-Y205 HydrophobicContact CD2-CE1 4.07Å; L144-Y205 HydrophobicContact CD2-CE2 3.88Å; L144-Y205 HydrophobicContact CD2-CG 4.03Å; L144-Y205 HydrophobicContact CG-CE2 4.43Å; L144-Y205 WeakPolarHBondContact O-CD2 3.4Å; L144-Y205 WeakPolarHBondContact O-CE2 3.45Å; L144-M208 HydrophobicContact CD2-CB 3.81Å; L144-M208 HydrophobicContact CD2-CG 3.75Å; L144-M208 HydrophobicContact CD2-SD 3.8Å; L144-M208 HydrophobicContact CG-CE 4.13Å; L144-M208 HydrophobicContact CG-CG 4.11Å; L144-M208 HydrophobicContact CG-SD 3.71Å; L144-L212 HydrophobicContact CD1-CD1 4.16Å
145	A	97.4	Very high	95.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-40.6	174.6	0	0	0	0	0	112.6	A141 Y142 A148 L149 L169 L186	A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 3.25Å; Y142-A145 PolarHBondContact O-N 2.94Å; A145-A148 PolarHBondContact O-N 3.32Å; A145-L149 WeakPolarHBondContact O-CG 3.18Å; A145-L149 PolarHBondContact O-N 3.44Å; A145-L169 HydrophobicContact CB-CD2 3.85Å; A145-L169 HydrophobicContact CB-CG 4.12Å; A145-L186 HydrophobicContact CB-CD1 4.5Å; A145-L186 HydrophobicContact CB-CD2 3.52Å
146	A	97.6	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-40.1	175.9	0	0	0	0	0	112.8	Y142 Q143 L144 L149 Q150 M189	Y142-A146 PolarHBondContact O-N 3.5Å; Q143-A146 PolarHBondContact O-N 3.48Å; L144-A146 VanDerWaalsContact C-N 3.32Å; L144-A146 PolarHBondContact O-N 3.06Å; A146-L149 PolarHBondContact O-N 2.89Å; A146-Q150 PolarHBondContact O-N 3.37Å; A146-M189 HydrophobicContact CB-CB 3.69Å
147	L	97.9	Very high	95.2	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-39.4	173.9	-74.8	168.5	0	0	0	112.1	Q143 L144 Q150 A151 H193 E204 Y205 M208	Q143-L147 PolarHBondContact O-N 3.33Å; L144-L147 PolarHBondContact O-N 2.8Å; L147-Q150 PolarHBondContact O-N 2.91Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 2.86Å; L147-H193 VanDerWaalsContact CD2-CE1 3.49Å; L147-H193 WeakPolarHBondContact CD2-CE1 3.34Å; L147-E204 HydrophobicContact CD1-CB 4.32Å; L147-E204 HydrophobicContact CD2-CB 3.87Å; L147-E204 WeakPolarHBondContact CD2-OE2 3.43Å; L147-Y205 HydrophobicContact CB-CD2 3.91Å; L147-M208 HydrophobicContact CD1-CB 4.38Å; L147-M208 HydrophobicContact CD1-SD 4.18Å
148	A	97.6	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-40.1	175.2	0	0	0	0	0	112.1	L144 A145 A151 E152 Y168 Y205	L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.35Å; A145-A148 PolarHBondContact O-N 3.32Å; A148-A151 PolarHBondContact O-N 3.42Å; A148-E152 WeakPolarHBondContact O-CB 3.15Å; A148-E152 WeakPolarHBondContact O-CG 3.21Å; A148-E152 PolarHBondContact O-N 2.87Å; A148-Y168 HydrophobicContact CB-CD1 3.89Å; A148-Y168 HydrophobicContact CB-CE1 4.12Å; A148-Y205 HydrophobicContact CB-CD2 4.18Å; A148-Y205 HydrophobicContact CB-CE2 3.87Å
149	L	97.2	Very high	94.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-47	171.3	-78	166.6	0	0	0	111.1	A145 A146 A151 E152 V153 Y162 F163 Y168 L186 H190	A145-L149 WeakPolarHBondContact O-CG 3.18Å; A145-L149 PolarHBondContact O-N 3.44Å; A146-L149 PolarHBondContact O-N 2.89Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.02Å; L149-E152 PolarHBondContact O-N 3.15Å; L149-V153 HydrophobicContact CD2-CG2 4.16Å; L149-V153 WeakPolarHBondContact O-CA 3.42Å; L149-V153 VanDerWaalsContact O-CB 3.26Å; L149-V153 WeakPolarHBondContact O-CB 3.44Å; L149-V153 PolarHBondContact O-N 3Å; L149-Y162 HydrophobicContact CD2-CE2 4.22Å; L149-F163 HydrophobicContact CD1-CD2 4.13Å; L149-F163 HydrophobicContact CD1-CE1 4.5Å; L149-F163 HydrophobicContact CD1-CE2 4.09Å; L149-F163 HydrophobicContact CD1-CG 4.36Å; L149-F163 HydrophobicContact CD1-CZ 4.25Å; L149-F163 HydrophobicContact CD2-CB 3.63Å; L149-F163 HydrophobicContact CD2-CD1 4.24Å; L149-F163 HydrophobicContact CD2-CD2 3.96Å; L149-F163 HydrophobicContact CD2-CG 3.68Å; L149-Y168 HydrophobicContact CD2-CD1 4.11Å; L149-Y168 HydrophobicContact CD2-CD2 3.84Å; L149-Y168 HydrophobicContact CD2-CE1 3.77Å; L149-Y168 HydrophobicContact CD2-CE2 3.46Å; L149-Y168 VanDerWaalsContact CD2-CE2 3.46Å; L149-Y168 HydrophobicContact CD2-CG 4.16Å; L149-Y168 VanDerWaalsContact CD2-CZ 3.43Å; L149-Y168 HydrophobicContact CG-CD1 3.87Å; L149-Y168 HydrophobicContact CG-CD2 4.26Å; L149-Y168 HydrophobicContact CG-CE1 3.88Å; L149-Y168 HydrophobicContact CG-CE2 4.26Å; L149-Y168 HydrophobicContact CG-CG 4.09Å; L149-L186 HydrophobicContact CD1-CB 4.41Å; L149-H190 HydrophobicContact CB-CB 4.46Å; L149-H190 HydrophobicContact CD1-CB 4.25Å
150	Q	97.9	Very high	93.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-37.4	178.2	-173.6	67.1	28.3	0	0	111.8	A146 L147 G154 D155 H190 H193 K196 A201	A146-Q150 PolarHBondContact O-N 3.37Å; L147-Q150 PolarHBondContact O-N 2.91Å; Q150-G154 VanDerWaalsContact O-CA 3.3Å; Q150-G154 WeakPolarHBondContact O-CA 3.02Å; Q150-G154 PolarHBondContact O-N 3.26Å; Q150-G154 VanDerWaalsContact O-N 3.16Å; Q150-D155 PolarHBondContact NE2-OD1 3.08Å; Q150-H190 WeakPolarHBondContact CA-NE2 3.41Å; Q150-H190 PolarHBondContact N-CD2 3.44Å; Q150-H190 PolarHBondContact N-NE2 2.77Å; Q150-H190 PolarHBondContact OE1-NE2 2.59Å; Q150-H193 HydrophobicContact CB-CB 4.09Å; Q150-H193 VanDerWaalsContact CD-O 3.26Å; Q150-H193 HydrophobicContact CG-CB 3.95Å; Q150-H193 PolarHBondContact NE2-O 2.79Å; Q150-H193 PolarHBondContact OE1-O 2.94Å; Q150-K196 HydrophobicContact CG-CB 4.13Å; Q150-K196 PolarHBondContact NE2-O 3.39Å; Q150-A201 HydrophobicContact CB-CB 4Å; Q150-A201 HydrophobicContact CG-CB 3.87Å
151	A	96.6	Very high	93.2	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-40.1	178.2	0	0	0	0	0	112.7	Y122 L147 A148 L149 S198 A201 E202	Y122-A151 HydrophobicContact CE2-CB 4.42Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 2.86Å; A148-A151 PolarHBondContact O-N 3.42Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.02Å; A151-S198 WeakPolarHBondContact O-CB 3.36Å; A151-S198 PolarHBondContact O-OG 3.42Å; A151-A201 HydrophobicContact CB-CB 3.97Å; A151-E202 HydrophobicContact CB-CG 4.09Å
152	E	94.8	Very high	93	Very high	96 Å²	96	52 Å²	52	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-96.3	-34.4	-171.3	-67.3	172	-164.1	0	0	114.3	Y122 A148 L149 Y168	Y122-E152 PolarHBondContact OH-OE1 3.1Å; A148-E152 WeakPolarHBondContact O-CB 3.15Å; A148-E152 WeakPolarHBondContact O-CG 3.21Å; A148-E152 PolarHBondContact O-N 2.87Å; L149-E152 PolarHBondContact O-N 3.15Å; E152-Y168 VanDerWaalsContact OE2-CE1 3.31Å; E152-Y168 WeakPolarHBondContact OE2-CE1 3.47Å; E152-Y168 PolarHBondContact OE2-OH 2.91Å
153	V	94.5	Very high	92.9	Very high	61 Å²	61	52.7 Å²	52.7	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-101	-28.1	-176.8	-174.6	0	0	0	0	111.3	L149 Y162	L149-V153 HydrophobicContact CD2-CG2 4.16Å; L149-V153 WeakPolarHBondContact O-CA 3.42Å; L149-V153 VanDerWaalsContact O-CB 3.26Å; L149-V153 WeakPolarHBondContact O-CB 3.44Å; L149-V153 PolarHBondContact O-N 3Å; V153-Y162 HydrophobicContact CG1-CD2 4.02Å; V153-Y162 HydrophobicContact CG1-CE2 4.39Å
154	G	94.8	Very high	92.7	Very high	25 Å²	25	52 Å²	52	26%	0.258	27%	0.273	S	S	.	.			trans	76.6	-161.1	-166.1	0	0	0	0	0	111.3	Q150 H190	Q150-G154 VanDerWaalsContact O-CA 3.3Å; Q150-G154 WeakPolarHBondContact O-CA 3.02Å; Q150-G154 PolarHBondContact O-N 3.26Å; Q150-G154 VanDerWaalsContact O-N 3.16Å; G154-H190 PolarHBondContact O-CE1 3.08Å; G154-H190 PolarHBondContact O-NE2 2.88Å
155	D	94.1	Very high	92.5	Very high	91 Å²	91	51.9 Å²	51.9	49%	0.487	27%	0.273	S	S	.	.	S	Bend	trans	-54.1	142	-178.3	-69.2	-14	0	0	0	112.6	Q150 A194 G195	Q150-D155 PolarHBondContact NE2-OD1 3.08Å; D155-A194 WeakPolarHBondContact OD1-CA 3.48Å; D155-G195 PolarHBondContact OD1-N 2.83Å; D155-G195 PolarHBondContact OD2-N 2.69Å
156	R	91.3	Very high	92.3	Very high	93 Å²	93	56.5 Å²	56.5	35%	0.351	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-50.6	122.3	-176.3	176.3	-178.6	155	150.6	-0.5	111.5	Y162 A187	R156-Y162 HydrophobicContact CG-CE1 4.05Å; R156-A187 VanDerWaalsContact NH1-CB 3.28Å; R156-A187 PolarHBondContact NH1-O 3.27Å
157	P	90.5	Very high	92	Very high	39 Å²	39	58.2 Å²	58.2	25%	0.253	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-72.3	162.3	174.7	30.7	-34.9	0	0	0	111.6	Q159 Y162	P157-Q159 VanDerWaalsContact C-N 3.25Å; P157-Q159 PolarHBondContact O-N 3.39Å; P157-Y162 VanDerWaalsContact CG-CB 3.41Å; P157-Y162 HydrophobicContact CG-CD1 3.81Å; P157-Y162 HydrophobicContact CG-CD2 3.66Å; P157-Y162 HydrophobicContact CG-CE1 4.47Å; P157-Y162 HydrophobicContact CG-CE2 4.36Å; P157-Y162 HydrophobicContact CG-CG 3.34Å
158	S	84.4	Confident	91.9	Very high	122 Å²	122	58.8 Å²	58.8	85%	0.853	31%	0.308	S	S	*	.	S	Bend	trans	-68.6	-22.5	178	53.1	0	0	0	0	113.8
159	Q	83.7	Confident	91.8	Very high	136 Å²	136	58.8 Å²	58.8	64%	0.636	31%	0.308	S	S	*	.			trans	-69.9	139.6	177	-65.2	173.5	-17.1	0	0	110.7	P157 Y162	P157-Q159 VanDerWaalsContact C-N 3.25Å; P157-Q159 PolarHBondContact O-N 3.39Å; Q159-Y162 WeakPolarHBondContact O-CD1 2.76Å
160	E	74.1	Confident	91.5	Very high	154 Å²	154	58.9 Å²	58.9	72%	0.72	31%	0.309	S	S	*	.	S	Bend	trans	-77.6	-33.6	179.4	-66.5	-169	156.7	0	0	113.4	Y162	E160-Y162 PolarHBondContact O-N 3.38Å
161	L	86.1	Confident	91.2	Very high	134 Å²	134	61.1 Å²	61.1	70%	0.702	32%	0.323	S	S	*	.			trans	-101.9	58.5	-176.4	-65.6	173.7	0	0	0	111.6
162	Y	92.4	Very high	90.8	Very high	36 Å²	36	62.7 Å²	62.7	14%	0.141	34%	0.336	C	S	.	.	S	Bend	trans	-95.3	-7	-178.7	69.6	-86.2	0	0	0	114.2	L149 V153 R156 P157 Q159 E160 A187 H190	L149-Y162 HydrophobicContact CD2-CE2 4.22Å; V153-Y162 HydrophobicContact CG1-CD2 4.02Å; V153-Y162 HydrophobicContact CG1-CE2 4.39Å; R156-Y162 HydrophobicContact CG-CE1 4.05Å; P157-Y162 VanDerWaalsContact CG-CB 3.41Å; P157-Y162 HydrophobicContact CG-CD1 3.81Å; P157-Y162 HydrophobicContact CG-CD2 3.66Å; P157-Y162 HydrophobicContact CG-CE1 4.47Å; P157-Y162 HydrophobicContact CG-CE2 4.36Å; P157-Y162 HydrophobicContact CG-CG 3.34Å; Q159-Y162 WeakPolarHBondContact O-CD1 2.76Å; E160-Y162 PolarHBondContact O-N 3.38Å; Y162-A187 HydrophobicContact CE1-CB 4.32Å; Y162-H190 AromaticContact CE2-CE1 3.86Å; Y162-H190 AromaticContact CE2-ND1 3.56Å; Y162-H190 AromaticContact CZ-ND1 3.51Å; Y162-H190 PolarHBondContact OH-ND1 2.85Å
163	F	93.4	Very high	90.6	Very high	14 Å²	14	59.2 Å²	59.2	6%	0.061	32%	0.32	C	S	.	.			trans	-150.9	158.7	179.2	72.8	-78.5	0	0	0	111.9	L149 P165 Y168 R183 L186 A187	L149-F163 HydrophobicContact CD1-CD2 4.13Å; L149-F163 HydrophobicContact CD1-CE1 4.5Å; L149-F163 HydrophobicContact CD1-CE2 4.09Å; L149-F163 HydrophobicContact CD1-CG 4.36Å; L149-F163 HydrophobicContact CD1-CZ 4.25Å; L149-F163 HydrophobicContact CD2-CB 3.63Å; L149-F163 HydrophobicContact CD2-CD1 4.24Å; L149-F163 HydrophobicContact CD2-CD2 3.96Å; L149-F163 HydrophobicContact CD2-CG 3.68Å; F163-P165 HydrophobicContact CE2-CG 4.2Å; F163-Y168 HydrophobicContact CB-CD2 4.41Å; F163-Y168 HydrophobicContact CB-CE2 3.93Å; F163-Y168 HydrophobicContact CD2-CD2 4.03Å; F163-Y168 HydrophobicContact CD2-CE2 4.39Å; F163-R183 HydrophobicContact CE1-CG 3.95Å; F163-R183 HydrophobicContact CE2-CG 4.16Å; F163-R183 HydrophobicContact CZ-CB 4.42Å; F163-R183 HydrophobicContact CZ-CG 3.62Å; F163-R183 WeakPolarHBondContact CZ-O 3.27Å; F163-L186 HydrophobicContact CE2-CB 3.85Å; F163-L186 HydrophobicContact CE2-CD1 3.82Å; F163-L186 HydrophobicContact CZ-CB 3.7Å; F163-A187 HydrophobicContact CE1-CB 4.01Å; F163-A187 HydrophobicContact CZ-CB 4.31Å
164	E	92.9	Very high	90.4	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	31%	0.312	S	S	.	.			trans	-105.8	123.1	172.2	-66.8	171.5	-164.3	0	0	109.3	Q166 S167 Y168 R853	E164-Q166 HydrophobicContact CB-CG 4.07Å; E164-Q166 PolarHBondContact O-N 3.42Å; E164-Q166 VanDerWaalsContact O-N 3.12Å; E164-Q166 PolarHBondContact OE2-NE2 2.79Å; E164-S167 WeakPolarHBondContact O-CB 3.02Å; E164-S167 PolarHBondContact O-N 2.91Å; E164-Y168 WeakPolarHBondContact O-CD2 3.18Å; E164-R853 IonicContact OE1-CZ 2.71Å; E164-R853 IonicContact OE1-NE 3.34Å; E164-R853 PolarHBondContact OE1-NE 3.35Å; E164-R853 IonicContact OE1-NH2 2.8Å; E164-R853 PolarHBondContact OE1-NH2 2.74Å; E164-R853 IonicContact OE2-CZ 3.52Å; E164-R853 IonicContact OE2-NE 3.37Å; E164-R853 IonicContact OE2-NH2 3.44Å; E164-R853 PolarHBondContact OE2-NH2 3.36Å
165	P	93.2	Very high	90	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-53.8	-33.7	-179.3	-30.2	36.7	0	0	0	114.5	F163 S167 Y168 L169 L174 I179 I182 R183 L186	F163-P165 HydrophobicContact CE2-CG 4.2Å; P165-S167 PolarHBondContact O-N 2.76Å; P165-Y168 PolarHBondContact O-N 2.91Å; P165-L169 PolarHBondContact O-N 3.29Å; P165-L174 HydrophobicContact CB-CD2 3.97Å; P165-I179 HydrophobicContact CB-CG1 4.34Å; P165-I179 HydrophobicContact CG-CG1 4.01Å; P165-I182 HydrophobicContact CB-CG2 4Å; P165-R183 HydrophobicContact CG-CB 3.89Å; P165-R183 HydrophobicContact CG-CG 4.3Å; P165-L186 HydrophobicContact CB-CD1 4.42Å
166	Q	92.6	Very high	89.4	Confident	98 Å²	98	66.1 Å²	66.1	46%	0.458	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.2	177.5	66.8	-132.6	19	0	0	114.8	M130 E164 Y168 L174	M130-Q166 VanDerWaalsContact CE-O 3.23Å; M130-Q166 WeakPolarHBondContact CE-O 3.41Å; E164-Q166 HydrophobicContact CB-CG 4.07Å; E164-Q166 PolarHBondContact O-N 3.42Å; E164-Q166 VanDerWaalsContact O-N 3.12Å; E164-Q166 PolarHBondContact OE2-NE2 2.79Å; Q166-Y168 VanDerWaalsContact C-N 3.28Å; Q166-L174 HydrophobicContact CB-CD1 3.74Å
167	S	93	Very high	89.2	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-83.3	-5.1	174.1	-58	0	0	0	0	112.9	R126 E164 P165 R853	R126-S167 PolarHBondContact NH2-O 3.38Å; E164-S167 WeakPolarHBondContact O-CB 3.02Å; E164-S167 PolarHBondContact O-N 2.91Å; P165-S167 PolarHBondContact O-N 2.76Å; S167-R853 PolarHBondContact OG-NH2 2.95Å
168	Y	95.2	Very high	89.2	Confident	18 Å²	18	68.1 Å²	68.1	7%	0.071	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-25.6	-172.8	-66.9	-79.4	0	0	0	114.1	R126 A148 L149 E152 F163 E164 P165 Q166	R126-Y168 VanDerWaalsContact NH2-CA 3.25Å; A148-Y168 HydrophobicContact CB-CD1 3.89Å; A148-Y168 HydrophobicContact CB-CE1 4.12Å; L149-Y168 HydrophobicContact CD2-CD1 4.11Å; L149-Y168 HydrophobicContact CD2-CD2 3.84Å; L149-Y168 HydrophobicContact CD2-CE1 3.77Å; L149-Y168 HydrophobicContact CD2-CE2 3.46Å; L149-Y168 VanDerWaalsContact CD2-CE2 3.46Å; L149-Y168 HydrophobicContact CD2-CG 4.16Å; L149-Y168 VanDerWaalsContact CD2-CZ 3.43Å; L149-Y168 HydrophobicContact CG-CD1 3.87Å; L149-Y168 HydrophobicContact CG-CD2 4.26Å; L149-Y168 HydrophobicContact CG-CE1 3.88Å; L149-Y168 HydrophobicContact CG-CE2 4.26Å; L149-Y168 HydrophobicContact CG-CG 4.09Å; E152-Y168 VanDerWaalsContact OE2-CE1 3.31Å; E152-Y168 WeakPolarHBondContact OE2-CE1 3.47Å; E152-Y168 PolarHBondContact OE2-OH 2.91Å; F163-Y168 HydrophobicContact CB-CD2 4.41Å; F163-Y168 HydrophobicContact CB-CE2 3.93Å; F163-Y168 HydrophobicContact CD2-CD2 4.03Å; F163-Y168 HydrophobicContact CD2-CE2 4.39Å; E164-Y168 WeakPolarHBondContact O-CD2 3.18Å; P165-Y168 PolarHBondContact O-N 2.91Å; Q166-Y168 VanDerWaalsContact C-N 3.28Å
169	L	94.9	Very high	89.6	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.325	C	S	.	.	S	Bend	trans	-121.3	140.1	179.6	-71.9	172.6	0	0	0	112.2	M130 A141 Y142 A145 P165 L174 I182 L186	M130-L169 WeakPolarHBondContact CE-O 3.47Å; A141-L169 HydrophobicContact CB-CD2 3.9Å; A141-L169 WeakPolarHBondContact O-CD2 3.2Å; Y142-L169 HydrophobicContact CD1-CD1 4.43Å; Y142-L169 HydrophobicContact CE1-CD1 4.09Å; Y142-L169 HydrophobicContact CE2-CD1 4.35Å; A145-L169 HydrophobicContact CB-CD2 3.85Å; A145-L169 HydrophobicContact CB-CG 4.12Å; P165-L169 PolarHBondContact O-N 3.29Å; L169-L174 HydrophobicContact CB-CD2 4.1Å; L169-I182 HydrophobicContact CD1-CG2 3.52Å; L169-L186 HydrophobicContact CD1-CD1 3.76Å; L169-L186 HydrophobicContact CD1-CD2 4.47Å; L169-L186 HydrophobicContact CD1-CG 4.35Å; L169-L186 HydrophobicContact CG-CD1 4.19Å
170	P	92.2	Very high	89.9	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.013	32%	0.319	C	S	.	.			trans	-56.7	150.9	173.4	-27	32.9	0	0	0	113.8	I129 E132 A172 F173	I129-P170 HydrophobicContact CG2-CG 4.14Å; I129-P170 VanDerWaalsContact O-CG 3.29Å; I129-P170 WeakPolarHBondContact O-CG 3.32Å; E132-P170 HydrophobicContact CG-CB 3.9Å; P170-A172 PolarHBondContact O-N 3.4Å; P170-A172 VanDerWaalsContact O-N 3.08Å; P170-F173 HydrophobicContact CB-CD2 3.81Å; P170-F173 HydrophobicContact CB-CE2 4.06Å; P170-F173 HydrophobicContact CG-CD2 3.84Å; P170-F173 HydrophobicContact CG-CE2 3.83Å; P170-F173 PolarHBondContact O-N 3.42Å
171	P	89.9	Confident	90.8	Very high	46 Å²	46	64.7 Å²	64.7	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-55.8	-29.3	-178.2	-26.5	35	0	0	0	114.7	F173 L174	P171-F173 VanDerWaalsContact C-N 3.34Å; P171-F173 PolarHBondContact O-N 3.39Å; P171-L174 PolarHBondContact O-N 3.32Å
172	A	88.1	Confident	91.2	Very high	42 Å²	42	58.3 Å²	58.3	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-39.1	177.2	0	0	0	0	0	113	E132 P170	E132-A172 WeakPolarHBondContact OE1-CB 3.46Å; P170-A172 PolarHBondContact O-N 3.4Å; P170-A172 VanDerWaalsContact O-N 3.08Å
173	F	90.5	Very high	91.3	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.096	29%	0.285	C	S	.	.	H	α-helix	trans	-78.9	-29.2	-178.9	-59.7	-70.1	0	0	0	112.8	Q138 A141 P170 P171 K175 Q176	Q138-F173 HydrophobicContact CB-CD1 4.09Å; Q138-F173 HydrophobicContact CB-CE1 3.86Å; Q138-F173 HydrophobicContact CG-CD1 3.93Å; Q138-F173 HydrophobicContact CG-CE1 4.23Å; A141-F173 HydrophobicContact CB-CD2 4.13Å; A141-F173 HydrophobicContact CB-CE1 4.47Å; A141-F173 HydrophobicContact CB-CE2 3.8Å; A141-F173 HydrophobicContact CB-CZ 3.98Å; P170-F173 HydrophobicContact CB-CD2 3.81Å; P170-F173 HydrophobicContact CB-CE2 4.06Å; P170-F173 HydrophobicContact CG-CD2 3.84Å; P170-F173 HydrophobicContact CG-CE2 3.83Å; P170-F173 PolarHBondContact O-N 3.42Å; P171-F173 VanDerWaalsContact C-N 3.34Å; P171-F173 PolarHBondContact O-N 3.39Å; F173-K175 PolarHBondContact O-N 3.03Å; F173-Q176 PolarHBondContact O-N 2.91Å
174	L	90.6	Very high	91.3	Very high	41 Å²	41	61 Å²	61	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-21	177.9	-59.6	173.4	0	0	0	112.9	P165 Q166 L169 P171 I182	P165-L174 HydrophobicContact CB-CD2 3.97Å; Q166-L174 HydrophobicContact CB-CD1 3.74Å; L169-L174 HydrophobicContact CB-CD2 4.1Å; P171-L174 PolarHBondContact O-N 3.32Å; L174-I182 HydrophobicContact CD2-CD1 4.29Å
175	K	86.7	Confident	91.3	Very high	179 Å²	179	60.6 Å²	60.6	78%	0.778	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.7	179.1	-67.9	175.7	-176.9	179.5	0	113.7	F173	F173-K175 PolarHBondContact O-N 3.03Å
176	Q	82.5	Confident	91.4	Very high	103 Å²	103	60.6 Å²	60.6	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-32.2	-172.4	-66.7	176.7	-24.2	0	0	113	Q138 F173	Q138-Q176 VanDerWaalsContact NE2-OE1 3.08Å; F173-Q176 PolarHBondContact O-N 2.91Å
177	E	85.6	Confident	91.5	Very high	81 Å²	81	56.2 Å²	56.2	38%	0.379	28%	0.282	S	S	.	.	S	Bend	trans	-142.1	165.1	-176.4	-67.7	-171.4	178.1	0	0	111.8	I179 I182	E177-I179 PolarHBondContact O-N 2.77Å; E177-I182 HydrophobicContact CB-CD1 4.34Å; E177-I182 HydrophobicContact CB-CG1 4.11Å
178	N	91.2	Very high	91.6	Very high	92 Å²	92	60 Å²	60	49%	0.492	30%	0.296	S	S	.	.			trans	-59.9	131.2	174.9	-178.7	-53	0	0	0	111	D180 R181 I182	N178-D180 PolarHBondContact O-N 3.38Å; N178-D180 VanDerWaalsContact O-N 3.11Å; N178-D180 WeakPolarHBondContact OD1-CB 3.46Å; N178-D180 PolarHBondContact OD1-N 3.04Å; N178-R181 HydrophobicContact CB-CG 4.38Å; N178-R181 WeakPolarHBondContact O-CB 3.42Å; N178-R181 PolarHBondContact O-N 3.28Å; N178-I182 PolarHBondContact O-N 3.41Å; N178-I182 VanDerWaalsContact O-N 3.1Å
179	I	92.1	Very high	91.6	Very high	67 Å²	67	60 Å²	60	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-54.9	-31.9	-176.6	-163.5	165.6	0	0	0	114.1	P165 E177 I182 R183	P165-I179 HydrophobicContact CB-CG1 4.34Å; P165-I179 HydrophobicContact CG-CG1 4.01Å; E177-I179 PolarHBondContact O-N 2.77Å; I179-I182 PolarHBondContact O-N 3.03Å; I179-R183 WeakPolarHBondContact O-CB 3.49Å; I179-R183 PolarHBondContact O-N 3.45Å
180	D	91.6	Very high	91.7	Very high	93 Å²	93	59.9 Å²	59.9	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-72.1	-35.8	178.7	-61.7	-37.4	0	0	0	111.7	N178 R183 A184	N178-D180 PolarHBondContact O-N 3.38Å; N178-D180 VanDerWaalsContact O-N 3.11Å; N178-D180 WeakPolarHBondContact OD1-CB 3.46Å; N178-D180 PolarHBondContact OD1-N 3.04Å; D180-R183 PolarHBondContact O-N 3.44Å; D180-R183 IonicContact OD1-CZ 3.36Å; D180-R183 IonicContact OD1-NH1 3.75Å; D180-R183 PolarHBondContact OD1-NH1 2.83Å; D180-R183 IonicContact OD1-NH2 2.86Å; D180-A184 WeakPolarHBondContact O-CB 3.12Å; D180-A184 PolarHBondContact O-N 3.45Å
181	R	92.7	Very high	91.8	Very high	180 Å²	180	66.4 Å²	66.4	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-42.6	172.6	-67.5	-174.8	175.7	-178.2	-0.7	111	N178 R183 A184 R185	N178-R181 HydrophobicContact CB-CG 4.38Å; N178-R181 WeakPolarHBondContact O-CB 3.42Å; N178-R181 PolarHBondContact O-N 3.28Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 2.85Å; R181-A184 PolarHBondContact O-N 3.08Å; R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 PolarHBondContact O-N 2.98Å
182	I	93.5	Very high	92.1	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.6	-46.7	174.5	-60.8	-179.9	0	0	0	109.9	Y142 P165 L169 L174 E177 N178 I179 R185 L186	Y142-I182 HydrophobicContact CE1-CG2 4.09Å; P165-I182 HydrophobicContact CB-CG2 4Å; L169-I182 HydrophobicContact CD1-CG2 3.52Å; L174-I182 HydrophobicContact CD2-CD1 4.29Å; E177-I182 HydrophobicContact CB-CD1 4.34Å; E177-I182 HydrophobicContact CB-CG1 4.11Å; N178-I182 PolarHBondContact O-N 3.41Å; N178-I182 VanDerWaalsContact O-N 3.1Å; I179-I182 PolarHBondContact O-N 3.03Å; I182-R185 PolarHBondContact O-N 3.25Å; I182-L186 HydrophobicContact CG2-CD1 4.08Å; I182-L186 HydrophobicContact CG2-CG 4.48Å; I182-L186 WeakPolarHBondContact O-CB 3.42Å; I182-L186 WeakPolarHBondContact O-CG 3.44Å; I182-L186 PolarHBondContact O-N 3.3Å
183	R	94.8	Very high	92.4	Very high	46 Å²	46	72 Å²	72	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-48.7	177.2	-168.1	-176.6	-61.3	101.9	2.1	111.7	F163 P165 I179 D180 R181 R185 L186 A187	F163-R183 HydrophobicContact CE1-CG 3.95Å; F163-R183 HydrophobicContact CE2-CG 4.16Å; F163-R183 HydrophobicContact CZ-CB 4.42Å; F163-R183 HydrophobicContact CZ-CG 3.62Å; F163-R183 WeakPolarHBondContact CZ-O 3.27Å; P165-R183 HydrophobicContact CG-CB 3.89Å; P165-R183 HydrophobicContact CG-CG 4.3Å; I179-R183 WeakPolarHBondContact O-CB 3.49Å; I179-R183 PolarHBondContact O-N 3.45Å; D180-R183 PolarHBondContact O-N 3.44Å; D180-R183 IonicContact OD1-CZ 3.36Å; D180-R183 IonicContact OD1-NH1 3.75Å; D180-R183 PolarHBondContact OD1-NH1 2.83Å; D180-R183 IonicContact OD1-NH2 2.86Å; R181-R183 VanDerWaalsContact C-N 3.32Å; R181-R183 PolarHBondContact O-N 2.85Å; R183-R185 PolarHBondContact O-N 3.06Å; R183-L186 PolarHBondContact O-N 3.49Å; R183-A187 VanDerWaalsContact O-CB 3.27Å; R183-A187 WeakPolarHBondContact O-CB 3.18Å; R183-A187 PolarHBondContact O-N 2.92Å
184	A	93.1	Very high	92.6	Very high	62 Å²	62	73.5 Å²	73.5	51%	0.512	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-44.4	179.2	0	0	0	0	0	112	D180 R181 A187 Q188	D180-A184 WeakPolarHBondContact O-CB 3.12Å; D180-A184 PolarHBondContact O-N 3.45Å; R181-A184 PolarHBondContact O-N 3.08Å; A184-A187 PolarHBondContact O-N 2.96Å; A184-Q188 PolarHBondContact O-N 3.29Å
185	R	94.2	Very high	92.8	Very high	64 Å²	64	74.6 Å²	74.6	24%	0.242	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-48.2	177.2	-176.8	174.3	175.4	179.8	1.5	111.8	E139 Y142 R181 I182 R183 A187 Q188 M189	E139-R185 IonicContact OE1-CZ 3.19Å; E139-R185 IonicContact OE1-NH1 3.73Å; E139-R185 IonicContact OE1-NH2 2.73Å; E139-R185 PolarHBondContact OE1-NH2 2.69Å; E139-R185 IonicContact OE2-NH2 3.49Å; E139-R185 PolarHBondContact OE2-NH2 3.46Å; Y142-R185 HydrophobicContact CD1-CG 4.06Å; Y142-R185 HydrophobicContact CE1-CB 4.36Å; Y142-R185 HydrophobicContact CE1-CG 4.08Å; R181-R185 WeakPolarHBondContact O-CB 3.44Å; R181-R185 PolarHBondContact O-N 2.98Å; I182-R185 PolarHBondContact O-N 3.25Å; R183-R185 PolarHBondContact O-N 3.06Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 3.34Å; R185-Q188 PolarHBondContact O-N 3.27Å; R185-M189 HydrophobicContact CG-SD 4.28Å; R185-M189 WeakPolarHBondContact O-CG 3.41Å; R185-M189 PolarHBondContact O-N 2.87Å
186	L	95.1	Very high	93.2	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-40.6	176.3	-77.6	177.8	0	0	0	112	Y142 A145 L149 F163 P165 L169 I182 R183 Q188 M189 H190	Y142-L186 HydrophobicContact CD1-CD2 3.72Å; Y142-L186 HydrophobicContact CD1-CG 4.05Å; Y142-L186 HydrophobicContact CE1-CD2 4.44Å; Y142-L186 HydrophobicContact CE1-CG 4.31Å; Y142-L186 HydrophobicContact CG-CD2 4.39Å; A145-L186 HydrophobicContact CB-CD1 4.5Å; A145-L186 HydrophobicContact CB-CD2 3.52Å; L149-L186 HydrophobicContact CD1-CB 4.41Å; F163-L186 HydrophobicContact CE2-CB 3.85Å; F163-L186 HydrophobicContact CE2-CD1 3.82Å; F163-L186 HydrophobicContact CZ-CB 3.7Å; P165-L186 HydrophobicContact CB-CD1 4.42Å; L169-L186 HydrophobicContact CD1-CD1 3.76Å; L169-L186 HydrophobicContact CD1-CD2 4.47Å; L169-L186 HydrophobicContact CD1-CG 4.35Å; L169-L186 HydrophobicContact CG-CD1 4.19Å; I182-L186 HydrophobicContact CG2-CD1 4.08Å; I182-L186 HydrophobicContact CG2-CG 4.48Å; I182-L186 WeakPolarHBondContact O-CB 3.42Å; I182-L186 WeakPolarHBondContact O-CG 3.44Å; I182-L186 PolarHBondContact O-N 3.3Å; R183-L186 PolarHBondContact O-N 3.49Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3Å; L186-M189 PolarHBondContact O-N 3.02Å; L186-H190 VanDerWaalsContact O-CB 3.31Å; L186-H190 WeakPolarHBondContact O-CB 3.43Å; L186-H190 PolarHBondContact O-N 2.91Å
187	A	94.9	Very high	93.9	Very high	6 Å²	6	66.7 Å²	66.7	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-66.9	-31.8	178.1	0	0	0	0	0	112.5	R156 Y162 F163 R183 A184 R185 F191	R156-A187 VanDerWaalsContact NH1-CB 3.28Å; R156-A187 PolarHBondContact NH1-O 3.27Å; Y162-A187 HydrophobicContact CE1-CB 4.32Å; F163-A187 HydrophobicContact CE1-CB 4.01Å; F163-A187 HydrophobicContact CZ-CB 4.31Å; R183-A187 VanDerWaalsContact O-CB 3.27Å; R183-A187 WeakPolarHBondContact O-CB 3.18Å; R183-A187 PolarHBondContact O-N 2.92Å; A184-A187 PolarHBondContact O-N 2.96Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 3.34Å; A187-F191 PolarHBondContact O-N 2.61Å
188	Q	94.5	Very high	94.3	Very high	115 Å²	115	65 Å²	65	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-71.2	-40.5	172.2	-173	-176	19	0	0	111.6	A184 R185 L186 F191	A184-Q188 PolarHBondContact O-N 3.29Å; R185-Q188 PolarHBondContact O-N 3.27Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3Å; Q188-F191 PolarHBondContact O-N 3.23Å
189	M	95.6	Very high	94.5	Very high	17 Å²	17	64.7 Å²	64.7	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-41.1	177	-69.2	179.8	65.7	0	0	111.7	Y142 Q143 A146 R185 L186 F191 R192 H193	Y142-M189 HydrophobicContact CD1-SD 4.35Å; Q143-M189 HydrophobicContact CB-CE 4.16Å; Q143-M189 HydrophobicContact CG-CE 3.56Å; A146-M189 HydrophobicContact CB-CB 3.69Å; R185-M189 HydrophobicContact CG-SD 4.28Å; R185-M189 WeakPolarHBondContact O-CG 3.41Å; R185-M189 PolarHBondContact O-N 2.87Å; L186-M189 PolarHBondContact O-N 3.02Å; M189-F191 VanDerWaalsContact C-N 3.28Å; M189-F191 PolarHBondContact O-N 3.17Å; M189-R192 WeakPolarHBondContact O-CB 3.32Å; M189-R192 PolarHBondContact O-N 3.03Å; M189-H193 PolarHBondContact O-CD2 2.78Å
190	H	96.6	Very high	94.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.2	-43.5	174.5	-176.3	-144.1	0	0	0	111.7	L149 Q150 G154 Y162 L186 R192 H193	L149-H190 HydrophobicContact CB-CB 4.46Å; L149-H190 HydrophobicContact CD1-CB 4.25Å; Q150-H190 WeakPolarHBondContact CA-NE2 3.41Å; Q150-H190 PolarHBondContact N-CD2 3.44Å; Q150-H190 PolarHBondContact N-NE2 2.77Å; Q150-H190 PolarHBondContact OE1-NE2 2.59Å; G154-H190 PolarHBondContact O-CE1 3.08Å; G154-H190 PolarHBondContact O-NE2 2.88Å; Y162-H190 AromaticContact CE2-CE1 3.86Å; Y162-H190 AromaticContact CE2-ND1 3.56Å; Y162-H190 AromaticContact CZ-ND1 3.51Å; Y162-H190 PolarHBondContact OH-ND1 2.85Å; L186-H190 VanDerWaalsContact O-CB 3.31Å; L186-H190 WeakPolarHBondContact O-CB 3.43Å; L186-H190 PolarHBondContact O-N 2.91Å; H190-R192 PolarHBondContact O-N 3.19Å; H190-H193 PolarHBondContact O-N 3.08Å
191	F	94.9	Very high	95	Very high	138 Å²	138	60.3 Å²	60.3	61%	0.605	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-30.3	176.8	178.5	-100	0	0	0	113.6	A187 Q188 M189 H193 A194	A187-F191 PolarHBondContact O-N 2.61Å; Q188-F191 PolarHBondContact O-N 3.23Å; M189-F191 VanDerWaalsContact C-N 3.28Å; M189-F191 PolarHBondContact O-N 3.17Å; F191-H193 PolarHBondContact O-N 2.78Å; F191-A194 WeakPolarHBondContact O-CB 3.22Å; F191-A194 PolarHBondContact O-N 2.87Å
192	R	95.3	Very high	95.2	Very high	175 Å²	175	52.4 Å²	52.4	66%	0.66	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.1	178.2	-62.7	178.7	177.5	167.3	-0.6	113.4	M189 H190	M189-R192 WeakPolarHBondContact O-CB 3.32Å; M189-R192 PolarHBondContact O-N 3.03Å; H190-R192 PolarHBondContact O-N 3.19Å
193	H	95	Very high	95.4	Very high	32 Å²	32	54.3 Å²	54.3	15%	0.148	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.9	178.3	-64	-82	0	0	0	113.2	L147 Q150 M189 H190 F191 K196	L147-H193 VanDerWaalsContact CD2-CE1 3.49Å; L147-H193 WeakPolarHBondContact CD2-CE1 3.34Å; Q150-H193 HydrophobicContact CB-CB 4.09Å; Q150-H193 VanDerWaalsContact CD-O 3.26Å; Q150-H193 HydrophobicContact CG-CB 3.95Å; Q150-H193 PolarHBondContact NE2-O 2.79Å; Q150-H193 PolarHBondContact OE1-O 2.94Å; M189-H193 PolarHBondContact O-CD2 2.78Å; H190-H193 PolarHBondContact O-N 3.08Å; F191-H193 PolarHBondContact O-N 2.78Å; H193-K196 HydrophobicContact CB-CD 4.32Å; H193-K196 WeakPolarHBondContact O-CB 3.33Å; H193-K196 WeakPolarHBondContact O-CG 3.23Å; H193-K196 PolarHBondContact O-N 2.93Å
194	A	93.8	Very high	95.5	Very high	52 Å²	52	54.9 Å²	54.9	43%	0.43	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139.5	178.6	0	0	0	0	0	112.2	D155 F191 K196	D155-A194 WeakPolarHBondContact OD1-CA 3.48Å; F191-A194 WeakPolarHBondContact O-CB 3.22Å; F191-A194 PolarHBondContact O-N 2.87Å; A194-K196 VanDerWaalsContact C-N 3.35Å
195	G	95	Very high	95.7	Very high	65 Å²	65	51.9 Å²	51.9	67%	0.67	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-7.1	-177.3	0	0	0	0	0	114.9	D155	D155-G195 PolarHBondContact OD1-N 2.83Å; D155-G195 PolarHBondContact OD2-N 2.69Å
196	K	95.9	Very high	95.8	Very high	64 Å²	64	48.9 Å²	48.9	28%	0.278	26%	0.264	S	S	.	.			trans	-79.9	133.3	174.1	-63	-172.7	-169	-158.5	0	110.3	Q150 H193 A194 V200 E204	Q150-K196 HydrophobicContact CG-CB 4.13Å; Q150-K196 PolarHBondContact NE2-O 3.39Å; H193-K196 HydrophobicContact CB-CD 4.32Å; H193-K196 WeakPolarHBondContact O-CB 3.33Å; H193-K196 WeakPolarHBondContact O-CG 3.23Å; H193-K196 PolarHBondContact O-N 2.93Å; A194-K196 VanDerWaalsContact C-N 3.35Å; K196-V200 HydrophobicContact CB-CG1 4.39Å; K196-V200 HydrophobicContact CD-CG1 4.39Å; K196-V200 HydrophobicContact CG-CG1 4.45Å; K196-E204 IonicContact NZ-OE1 3.48Å; K196-E204 PolarHBondContact NZ-OE1 3.29Å; K196-E204 IonicContact NZ-OE2 2.74Å; K196-E204 PolarHBondContact NZ-OE2 3.23Å
197	S	96.2	Very high	95.9	Very high	52 Å²	52	54.4 Å²	54.4	36%	0.364	29%	0.287	S	S	.	.			trans	-68.3	160.5	171.5	83.4	0	0	0	0	111	Q199 V200 A201	S197-Q199 VanDerWaalsContact C-N 3.27Å; S197-Q199 PolarHBondContact O-N 3.25Å; S197-Q199 PolarHBondContact OG-OE1 3.25Å; S197-V200 PolarHBondContact O-N 2.9Å; S197-V200 VanDerWaalsContact O-N 3.12Å; S197-V200 WeakPolarHBondContact OG-CG2 3.12Å; S197-V200 PolarHBondContact OG-N 3.07Å; S197-A201 PolarHBondContact O-N 2.85Å
198	S	95.1	Very high	95.9	Very high	44 Å²	44	55.2 Å²	55.2	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-53	-45.8	175.9	177.9	0	0	0	0	111.6	A151 V200 A201 E202	A151-S198 WeakPolarHBondContact O-CB 3.36Å; A151-S198 PolarHBondContact O-OG 3.42Å; S198-V200 PolarHBondContact O-N 3.36Å; S198-A201 PolarHBondContact O-N 3.04Å; S198-E202 VanDerWaalsContact O-CG 3.27Å; S198-E202 WeakPolarHBondContact O-CG 3.38Å; S198-E202 PolarHBondContact O-N 2.93Å; S198-E202 PolarHBondContact OG-OE1 3.03Å
199	Q	95.2	Very high	96	Very high	86 Å²	86	49.7 Å²	49.7	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178.9	-56.1	83.5	-3.4	0	0	113	S197 E202 V203	S197-Q199 VanDerWaalsContact C-N 3.27Å; S197-Q199 PolarHBondContact O-N 3.25Å; S197-Q199 PolarHBondContact OG-OE1 3.25Å; Q199-E202 PolarHBondContact O-N 3.5Å; Q199-V203 VanDerWaalsContact O-CG2 3.31Å; Q199-V203 WeakPolarHBondContact O-CG2 3.29Å; Q199-V203 PolarHBondContact O-N 3.24Å
200	V	96.6	Very high	95.8	Very high	68 Å²	68	50.4 Å²	50.4	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-42.4	177.4	173.8	0	0	0	0	110.1	K196 S197 S198 V203 E204	K196-V200 HydrophobicContact CB-CG1 4.39Å; K196-V200 HydrophobicContact CD-CG1 4.39Å; K196-V200 HydrophobicContact CG-CG1 4.45Å; S197-V200 PolarHBondContact O-N 2.9Å; S197-V200 VanDerWaalsContact O-N 3.12Å; S197-V200 WeakPolarHBondContact OG-CG2 3.12Å; S197-V200 PolarHBondContact OG-N 3.07Å; S198-V200 PolarHBondContact O-N 3.36Å; V200-V203 PolarHBondContact O-N 3.1Å; V200-E204 WeakPolarHBondContact O-CB 3.11Å; V200-E204 WeakPolarHBondContact O-CG 3.06Å; V200-E204 PolarHBondContact O-N 2.87Å
201	A	97.6	Very high	95.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-41.1	175.7	0	0	0	0	0	111.9	Q150 A151 S197 S198 E204 Y205	Q150-A201 HydrophobicContact CB-CB 4Å; Q150-A201 HydrophobicContact CG-CB 3.87Å; A151-A201 HydrophobicContact CB-CB 3.97Å; S197-A201 PolarHBondContact O-N 2.85Å; S198-A201 PolarHBondContact O-N 3.04Å; A201-E204 PolarHBondContact O-N 2.91Å; A201-Y205 WeakPolarHBondContact O-CB 3.3Å; A201-Y205 PolarHBondContact O-N 2.69Å
202	E	97.5	Very high	95.4	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-48.3	173.2	-71.5	167.2	-163.2	0	0	111.9	Y119 Y122 A151 S198 Q199 E204 Y205 V206	Y119-E202 HydrophobicContact CD2-CG 4.49Å; Y119-E202 VanDerWaalsContact CD2-OE1 3.27Å; Y119-E202 WeakPolarHBondContact CD2-OE1 3.3Å; Y122-E202 HydrophobicContact CD1-CG 4.05Å; Y122-E202 HydrophobicContact CD2-CB 4.47Å; Y122-E202 HydrophobicContact CD2-CG 4.32Å; Y122-E202 HydrophobicContact CG-CB 4.26Å; Y122-E202 HydrophobicContact CG-CG 3.95Å; A151-E202 HydrophobicContact CB-CG 4.09Å; S198-E202 VanDerWaalsContact O-CG 3.27Å; S198-E202 WeakPolarHBondContact O-CG 3.38Å; S198-E202 PolarHBondContact O-N 2.93Å; S198-E202 PolarHBondContact OG-OE1 3.03Å; Q199-E202 PolarHBondContact O-N 3.5Å; E202-E204 PolarHBondContact O-N 2.88Å; E202-Y205 WeakPolarHBondContact O-CB 3.49Å; E202-Y205 PolarHBondContact O-N 2.74Å; E202-V206 VanDerWaalsContact O-CG2 3.31Å; E202-V206 WeakPolarHBondContact O-CG2 3.4Å; E202-V206 PolarHBondContact O-N 3.04Å
203	V	96.4	Very high	95.1	Very high	41 Å²	41	44.8 Å²	44.8	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-42.5	178.4	171.2	0	0	0	0	111.1	L109 M118 Q199 V200 V206 K207	L109-V203 HydrophobicContact CD1-CG1 4.44Å; M118-V203 HydrophobicContact CE-CG2 4.25Å; M118-V203 HydrophobicContact CG-CG2 3.72Å; M118-V203 HydrophobicContact SD-CG2 4.18Å; Q199-V203 VanDerWaalsContact O-CG2 3.31Å; Q199-V203 WeakPolarHBondContact O-CG2 3.29Å; Q199-V203 PolarHBondContact O-N 3.24Å; V200-V203 PolarHBondContact O-N 3.1Å; V203-V206 PolarHBondContact O-N 3.34Å; V203-K207 HydrophobicContact CG1-CD 4.21Å; V203-K207 HydrophobicContact CG1-CG 4.47Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.45Å
204	E	96.8	Very high	94.9	Very high	57 Å²	57	43.5 Å²	43.5	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-65.2	-39.3	175.7	-76	-172.7	-176.2	0	0	112.4	L147 K196 V200 A201 E202 V206 K207 M208	L147-E204 HydrophobicContact CD1-CB 4.32Å; L147-E204 HydrophobicContact CD2-CB 3.87Å; L147-E204 WeakPolarHBondContact CD2-OE2 3.43Å; K196-E204 IonicContact NZ-OE1 3.48Å; K196-E204 PolarHBondContact NZ-OE1 3.29Å; K196-E204 IonicContact NZ-OE2 2.74Å; K196-E204 PolarHBondContact NZ-OE2 3.23Å; V200-E204 WeakPolarHBondContact O-CB 3.11Å; V200-E204 WeakPolarHBondContact O-CG 3.06Å; V200-E204 PolarHBondContact O-N 2.87Å; A201-E204 PolarHBondContact O-N 2.91Å; E202-E204 PolarHBondContact O-N 2.88Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 3.05Å; E204-K207 PolarHBondContact O-N 2.82Å; E204-M208 WeakPolarHBondContact O-CB 3.1Å; E204-M208 PolarHBondContact O-N 2.98Å
205	Y	98	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-46.6	173.5	-172.3	-74.9	0	0	0	110.6	Y122 L125 R126 I129 L144 L147 A148 A201 E202 M208 C209	Y122-Y205 AromaticContact CD2-CD1 3.67Å; Y122-Y205 HydrophobicContact CD2-CD1 3.67Å; Y122-Y205 HydrophobicContact CD2-CD2 4.3Å; Y122-Y205 HydrophobicContact CD2-CE1 4.28Å; Y122-Y205 AromaticContact CD2-CG 3.7Å; Y122-Y205 HydrophobicContact CD2-CG 3.7Å; Y122-Y205 AromaticContact CE2-CD1 3.98Å; Y122-Y205 HydrophobicContact CE2-CD1 3.98Å; Y122-Y205 AromaticContact CE2-CD2 3.83Å; Y122-Y205 HydrophobicContact CE2-CD2 3.83Å; Y122-Y205 HydrophobicContact CE2-CE1 4.36Å; Y122-Y205 HydrophobicContact CE2-CE2 4.2Å; Y122-Y205 AromaticContact CE2-CG 3.72Å; Y122-Y205 HydrophobicContact CE2-CG 3.72Å; L125-Y205 HydrophobicContact CB-CE1 4.15Å; R126-Y205 WeakPolarHBondContact CA-OH 3.42Å; I129-Y205 HydrophobicContact CD1-CE1 4.11Å; I129-Y205 WeakPolarHBondContact CD1-OH 3.46Å; L144-Y205 HydrophobicContact CB-CD2 4.33Å; L144-Y205 HydrophobicContact CB-CE2 3.73Å; L144-Y205 HydrophobicContact CD2-CD1 4.12Å; L144-Y205 HydrophobicContact CD2-CD2 3.92Å; L144-Y205 HydrophobicContact CD2-CE1 4.07Å; L144-Y205 HydrophobicContact CD2-CE2 3.88Å; L144-Y205 HydrophobicContact CD2-CG 4.03Å; L144-Y205 HydrophobicContact CG-CE2 4.43Å; L144-Y205 WeakPolarHBondContact O-CD2 3.4Å; L144-Y205 WeakPolarHBondContact O-CE2 3.45Å; L147-Y205 HydrophobicContact CB-CD2 3.91Å; A148-Y205 HydrophobicContact CB-CD2 4.18Å; A148-Y205 HydrophobicContact CB-CE2 3.87Å; A201-Y205 WeakPolarHBondContact O-CB 3.3Å; A201-Y205 PolarHBondContact O-N 2.69Å; E202-Y205 WeakPolarHBondContact O-CB 3.49Å; E202-Y205 PolarHBondContact O-N 2.74Å; Y205-M208 PolarHBondContact O-N 2.55Å; Y205-C209 WeakPolarHBondContact CE1-SG 3.19Å; Y205-C209 PolarHBondContact O-N 2.96Å; Y205-C209 PolarHBondContact O-SG 3.47Å
206	V	96.8	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-45.3	177.6	176	0	0	0	0	111.1	L109 M118 I121 L125 E202 V203 E204 M208 C209 Q210	L109-V206 HydrophobicContact CD1-CG1 4.11Å; L109-V206 HydrophobicContact CD2-CG1 3.81Å; M118-V206 HydrophobicContact SD-CB 4.37Å; M118-V206 HydrophobicContact SD-CG1 4.39Å; M118-V206 HydrophobicContact SD-CG2 4.1Å; I121-V206 HydrophobicContact CG2-CG1 3.93Å; I121-V206 HydrophobicContact CG2-CG2 3.99Å; L125-V206 HydrophobicContact CD1-CB 4.36Å; L125-V206 HydrophobicContact CD1-CG1 4.08Å; L125-V206 HydrophobicContact CD1-CG2 4.08Å; E202-V206 VanDerWaalsContact O-CG2 3.31Å; E202-V206 WeakPolarHBondContact O-CG2 3.4Å; E202-V206 PolarHBondContact O-N 3.04Å; V203-V206 PolarHBondContact O-N 3.34Å; E204-V206 VanDerWaalsContact C-N 3.33Å; E204-V206 PolarHBondContact O-N 3.05Å; V206-M208 VanDerWaalsContact C-N 3.31Å; V206-M208 PolarHBondContact O-N 3.36Å; V206-C209 WeakPolarHBondContact O-CB 3.38Å; V206-C209 PolarHBondContact O-N 2.82Å; V206-C209 VanDerWaalsContact O-N 3.14Å; V206-Q210 WeakPolarHBondContact O-CG 3.23Å; V206-Q210 PolarHBondContact O-N 2.97Å
207	K	95.6	Very high	94.7	Very high	115 Å²	115	36.9 Å²	36.9	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-59	-43.3	176	-76.3	176.4	178.1	179.4	0	111.6	L109 V203 E204 C209 Q210	L109-K207 HydrophobicContact CD1-CG 3.64Å; V203-K207 HydrophobicContact CG1-CD 4.21Å; V203-K207 HydrophobicContact CG1-CG 4.47Å; V203-K207 WeakPolarHBondContact O-CG 3.4Å; V203-K207 PolarHBondContact O-N 3.45Å; E204-K207 PolarHBondContact O-N 2.82Å; K207-C209 VanDerWaalsContact C-N 3.34Å; K207-C209 PolarHBondContact O-N 2.75Å; K207-Q210 WeakPolarHBondContact O-CB 3.36Å; K207-Q210 PolarHBondContact O-N 3.23Å; K207-Q210 VanDerWaalsContact O-N 3.13Å
208	M	95.5	Very high	94.7	Very high	23 Å²	23	35.1 Å²	35.1	11%	0.113	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-41.2	175.8	-174.7	172.3	-178.6	0	0	111	Q143 L144 L147 E204 Y205 V206 Q210 T211	Q143-M208 HydrophobicContact CB-CE 3.56Å; Q143-M208 HydrophobicContact CB-SD 3.55Å; Q143-M208 VanDerWaalsContact CB-SD 3.55Å; Q143-M208 HydrophobicContact CG-CE 4.3Å; L144-M208 HydrophobicContact CD2-CB 3.81Å; L144-M208 HydrophobicContact CD2-CG 3.75Å; L144-M208 HydrophobicContact CD2-SD 3.8Å; L144-M208 HydrophobicContact CG-CE 4.13Å; L144-M208 HydrophobicContact CG-CG 4.11Å; L144-M208 HydrophobicContact CG-SD 3.71Å; L147-M208 HydrophobicContact CD1-CB 4.38Å; L147-M208 HydrophobicContact CD1-SD 4.18Å; E204-M208 WeakPolarHBondContact O-CB 3.1Å; E204-M208 PolarHBondContact O-N 2.98Å; Y205-M208 PolarHBondContact O-N 2.55Å; V206-M208 VanDerWaalsContact C-N 3.31Å; V206-M208 PolarHBondContact O-N 3.36Å; M208-Q210 VanDerWaalsContact C-N 3.26Å; M208-Q210 PolarHBondContact O-N 2.89Å; M208-T211 WeakPolarHBondContact O-CB 3.46Å; M208-T211 PolarHBondContact O-N 3.02Å; M208-T211 PolarHBondContact O-OG1 3.26Å
209	C	96.3	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-34.5	173	-69.1	0	0	0	0	112.7	L125 Y205 V206 K207 T211 L212 F215	L125-C209 HydrophobicContact CD1-CB 3.83Å; L125-C209 HydrophobicContact CD2-CB 4.23Å; L125-C209 HydrophobicContact CG-CB 4.45Å; Y205-C209 WeakPolarHBondContact CE1-SG 3.19Å; Y205-C209 PolarHBondContact O-N 2.96Å; Y205-C209 PolarHBondContact O-SG 3.47Å; V206-C209 WeakPolarHBondContact O-CB 3.38Å; V206-C209 PolarHBondContact O-N 2.82Å; V206-C209 VanDerWaalsContact O-N 3.14Å; K207-C209 VanDerWaalsContact C-N 3.34Å; K207-C209 PolarHBondContact O-N 2.75Å; C209-T211 PolarHBondContact O-N 2.74Å; C209-T211 VanDerWaalsContact O-N 3.14Å; C209-L212 WeakPolarHBondContact O-CB 3.29Å; C209-L212 PolarHBondContact O-N 2.8Å; C209-F215 VanDerWaalsContact C-CD2 3.49Å; C209-F215 HydrophobicContact CB-CD2 4.04Å; C209-F215 HydrophobicContact CB-CE2 4.24Å; C209-F215 VanDerWaalsContact O-CB 3.3Å; C209-F215 WeakPolarHBondContact O-CB 3.49Å; C209-F215 VanDerWaalsContact O-CD2 3.24Å; C209-F215 WeakPolarHBondContact O-CD2 3.4Å; C209-F215 WeakPolarHBondContact O-CG 3.31Å
210	Q	92.1	Very high	94.7	Very high	32 Å²	32	30.2 Å²	30.2	15%	0.15	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-17.4	175.6	-69.1	179.4	-44.9	0	0	113.3	P106 V107 V206 K207 M208 F215	P106-Q210 PolarHBondContact O-NE2 2.73Å; V107-Q210 PolarHBondContact O-NE2 3.36Å; V206-Q210 WeakPolarHBondContact O-CG 3.23Å; V206-Q210 PolarHBondContact O-N 2.97Å; K207-Q210 WeakPolarHBondContact O-CB 3.36Å; K207-Q210 PolarHBondContact O-N 3.23Å; K207-Q210 VanDerWaalsContact O-N 3.13Å; M208-Q210 VanDerWaalsContact C-N 3.26Å; M208-Q210 PolarHBondContact O-N 2.89Å; Q210-F215 HydrophobicContact CB-CD1 4.43Å; Q210-F215 HydrophobicContact CB-CE1 4.39Å; Q210-F215 HydrophobicContact CB-CZ 4.46Å; Q210-F215 HydrophobicContact CG-CD1 4.18Å; Q210-F215 HydrophobicContact CG-CD2 4.35Å; Q210-F215 HydrophobicContact CG-CE1 3.67Å; Q210-F215 HydrophobicContact CG-CE2 3.82Å; Q210-F215 HydrophobicContact CG-CZ 3.46Å; Q210-F215 VanDerWaalsContact CG-CZ 3.46Å
211	T	91.6	Very high	94.5	Very high	46 Å²	46	29.8 Å²	29.8	28%	0.282	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.8	174.6	77.3	0	0	0	0	112.8	M208 C209 I386	M208-T211 WeakPolarHBondContact O-CB 3.46Å; M208-T211 PolarHBondContact O-N 3.02Å; M208-T211 PolarHBondContact O-OG1 3.26Å; C209-T211 PolarHBondContact O-N 2.74Å; C209-T211 VanDerWaalsContact O-N 3.14Å; T211-I386 HydrophobicContact CG2-CG2 4.05Å; T211-I386 VanDerWaalsContact O-CB 3.3Å; T211-I386 WeakPolarHBondContact O-CB 3.13Å; T211-I386 WeakPolarHBondContact O-CD1 3.33Å; T211-I386 WeakPolarHBondContact O-CG1 3.47Å; T211-I386 WeakPolarHBondContact O-CG2 3.48Å
212	L	91	Very high	94.2	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.058	14%	0.137	C	C	.	.	S	Bend	trans	-75.2	139.7	-179.2	-58.7	176.9	0	0	0	111.2	I129 L134 C136 L144 C209 E214 F215	I129-L212 HydrophobicContact CD1-CD1 4.44Å; L134-L212 HydrophobicContact CD1-CB 4.18Å; L134-L212 HydrophobicContact CD1-CD1 4.14Å; L134-L212 HydrophobicContact CD2-CD1 3.94Å; L134-L212 HydrophobicContact CG-CD1 3.91Å; C136-L212 HydrophobicContact CB-CD1 3.94Å; C136-L212 HydrophobicContact CB-CD2 3.72Å; C136-L212 HydrophobicContact CB-CG 4.49Å; L144-L212 HydrophobicContact CD1-CD1 4.16Å; C209-L212 WeakPolarHBondContact O-CB 3.29Å; C209-L212 PolarHBondContact O-N 2.8Å; L212-E214 PolarHBondContact O-N 3.16Å; L212-E214 VanDerWaalsContact O-N 3.12Å; L212-F215 VanDerWaalsContact O-CB 3.27Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 3.29Å
213	R	88.4	Confident	93.9	Very high	138 Å²	138	29.7 Å²	29.7	52%	0.521	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	-177.3	-172.2	-177.4	67.3	-179.3	-4.8	113.5	R264 P266	R213-R264 PolarHBondContact NH2-O 3.42Å; R213-P266 VanDerWaalsContact NH1-CD 3.34Å
214	E	92.3	Very high	93.4	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.7	-175.7	-57.8	-173.4	145.7	0	0	113.6	L134 Q135 L212 G216 I217 F219 R264	L134-E214 HydrophobicContact CD1-CB 3.76Å; Q135-E214 VanDerWaalsContact CB-OE2 3.28Å; Q135-E214 WeakPolarHBondContact CB-OE2 3.3Å; Q135-E214 WeakPolarHBondContact CG-OE2 3.38Å; Q135-E214 PolarHBondContact N-OE2 3.08Å; L212-E214 PolarHBondContact O-N 3.16Å; L212-E214 VanDerWaalsContact O-N 3.12Å; E214-G216 PolarHBondContact O-N 2.9Å; E214-I217 HydrophobicContact CB-CD1 4.49Å; E214-I217 WeakPolarHBondContact O-CB 3.23Å; E214-I217 WeakPolarHBondContact O-CG1 3.49Å; E214-I217 PolarHBondContact O-N 2.93Å; E214-F219 HydrophobicContact CB-CE2 4.06Å; E214-F219 HydrophobicContact CB-CZ 3.96Å; E214-F219 HydrophobicContact CG-CE2 4.42Å; E214-F219 HydrophobicContact CG-CZ 3.89Å; E214-R264 VanDerWaalsContact CD-NH2 3.26Å; E214-R264 WeakPolarHBondContact OE1-CB 3.39Å; E214-R264 IonicContact OE1-CZ 3.58Å; E214-R264 IonicContact OE1-NE 3.53Å; E214-R264 PolarHBondContact OE1-NE 2.96Å; E214-R264 IonicContact OE1-NH2 2.77Å; E214-R264 PolarHBondContact OE1-NH2 3.33Å; E214-R264 IonicContact OE2-CZ 3.74Å; E214-R264 IonicContact OE2-NE 2.66Å; E214-R264 IonicContact OE2-NH2 3.95Å; E214-R264 PolarHBondContact OE2-NH2 2.96Å
215	F	93.4	Very high	92.5	Very high	19 Å²	19	31.9 Å²	31.9	8%	0.083	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	127.6	-179	178	-95.1	0	0	0	112.2	Y105 L125 C209 Q210 L212 I217 M250	Y105-F215 HydrophobicContact CD1-CE1 4.44Å; Y105-F215 HydrophobicContact CD1-CE2 4.04Å; Y105-F215 AromaticContact CD1-CZ 3.93Å; Y105-F215 HydrophobicContact CD1-CZ 3.93Å; L125-F215 HydrophobicContact CD1-CE2 3.98Å; L125-F215 HydrophobicContact CD2-CD2 4.07Å; L125-F215 HydrophobicContact CD2-CE2 3.87Å; C209-F215 VanDerWaalsContact C-CD2 3.49Å; C209-F215 HydrophobicContact CB-CD2 4.04Å; C209-F215 HydrophobicContact CB-CE2 4.24Å; C209-F215 VanDerWaalsContact O-CB 3.3Å; C209-F215 WeakPolarHBondContact O-CB 3.49Å; C209-F215 VanDerWaalsContact O-CD2 3.24Å; C209-F215 WeakPolarHBondContact O-CD2 3.4Å; C209-F215 WeakPolarHBondContact O-CG 3.31Å; Q210-F215 HydrophobicContact CB-CD1 4.43Å; Q210-F215 HydrophobicContact CB-CE1 4.39Å; Q210-F215 HydrophobicContact CB-CZ 4.46Å; Q210-F215 HydrophobicContact CG-CD1 4.18Å; Q210-F215 HydrophobicContact CG-CD2 4.35Å; Q210-F215 HydrophobicContact CG-CE1 3.67Å; Q210-F215 HydrophobicContact CG-CE2 3.82Å; Q210-F215 HydrophobicContact CG-CZ 3.46Å; Q210-F215 VanDerWaalsContact CG-CZ 3.46Å; L212-F215 VanDerWaalsContact O-CB 3.27Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 3.29Å; F215-I217 VanDerWaalsContact C-N 3.26Å; F215-I217 PolarHBondContact O-N 3.28Å; F215-M250 WeakPolarHBondContact O-CE 3.37Å
216	G	91.9	Very high	91.5	Very high	7 Å²	7	38 Å²	38	7%	0.072	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	13.9	177	0	0	0	0	0	115.4	E214 M250	E214-G216 PolarHBondContact O-N 2.9Å; G216-M250 WeakPolarHBondContact O-CB 3.47Å
217	I	95	Very high	90.1	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.082	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-90.8	125.9	174.7	-56.1	-174.3	0	0	0	110.6	E214 F215 F219 M250 F257	E214-I217 HydrophobicContact CB-CD1 4.49Å; E214-I217 WeakPolarHBondContact O-CB 3.23Å; E214-I217 WeakPolarHBondContact O-CG1 3.49Å; E214-I217 PolarHBondContact O-N 2.93Å; F215-I217 VanDerWaalsContact C-N 3.26Å; F215-I217 PolarHBondContact O-N 3.28Å; I217-F219 HydrophobicContact CB-CD2 4.18Å; I217-F219 HydrophobicContact CB-CE2 3.6Å; I217-F219 HydrophobicContact CB-CZ 3.85Å; I217-F219 HydrophobicContact CD1-CZ 4.18Å; I217-F219 HydrophobicContact CG2-CD1 4.03Å; I217-F219 HydrophobicContact CG2-CD2 3.79Å; I217-F219 HydrophobicContact CG2-CE1 3.77Å; I217-F219 HydrophobicContact CG2-CE2 3.51Å; I217-F219 HydrophobicContact CG2-CG 4.05Å; I217-F219 HydrophobicContact CG2-CZ 3.51Å; I217-M250 HydrophobicContact CD1-SD 4.07Å; I217-M250 HydrophobicContact CG1-CB 4.23Å; I217-M250 HydrophobicContact CG1-CE 3.98Å; I217-M250 HydrophobicContact CG1-CG 4.44Å; I217-M250 HydrophobicContact CG1-SD 3.7Å; I217-F257 HydrophobicContact CD1-CE2 4.09Å; I217-F257 HydrophobicContact CD1-CZ 3.74Å
218	H	96.7	Very high	88.2	Confident	15 Å²	15	38 Å²	38	7%	0.069	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.6	166.2	-62.7	-87.3	0	0	0	109.4	F69 L102 K103 Y105 Y220 G248 I249 F317	F69-H218 AromaticContact CE2-CE1 3.47Å; F69-H218 VanDerWaalsContact CE2-CE1 3.47Å; F69-H218 WeakPolarHBondContact CE2-CE1 3.47Å; F69-H218 AromaticContact CE2-ND1 3.6Å; F69-H218 AromaticContact CZ-CE1 3.82Å; L102-H218 PolarHBondContact O-CE1 2.92Å; K103-H218 PolarHBondContact O-NE2 3.3Å; Y105-H218 AromaticContact CD2-NE2 3.94Å; Y105-H218 AromaticContact CE2-CE1 3.7Å; Y105-H218 AromaticContact CE2-NE2 3.61Å; H218-Y220 HydrophobicContact CB-CE2 3.83Å; H218-G248 WeakPolarHBondContact O-CA 3.15Å; H218-I249 PolarHBondContact CD2-O 3.43Å; H218-I249 PolarHBondContact N-O 3.03Å; H218-I249 PolarHBondContact O-N 3.29Å; H218-F317 HydrophobicContact CB-CE1 3.79Å; H218-F317 HydrophobicContact CB-CZ 4.33Å; H218-F317 AromaticContact CD2-CE1 3.83Å; H218-F317 AromaticContact CD2-CZ 3.69Å; H218-F317 AromaticContact CG-CE1 3.79Å; H218-F317 AromaticContact CG-CZ 3.83Å; H218-F317 AromaticContact NE2-CZ 3.94Å
219	F	95	Very high	86.1	Confident	24 Å²	24	46.6 Å²	46.6	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	135	-174.5	-69.7	-89.6	0	0	0	113.1	E214 I217 W246 I247 F257 R264	E214-F219 HydrophobicContact CB-CE2 4.06Å; E214-F219 HydrophobicContact CB-CZ 3.96Å; E214-F219 HydrophobicContact CG-CE2 4.42Å; E214-F219 HydrophobicContact CG-CZ 3.89Å; I217-F219 HydrophobicContact CB-CD2 4.18Å; I217-F219 HydrophobicContact CB-CE2 3.6Å; I217-F219 HydrophobicContact CB-CZ 3.85Å; I217-F219 HydrophobicContact CD1-CZ 4.18Å; I217-F219 HydrophobicContact CG2-CD1 4.03Å; I217-F219 HydrophobicContact CG2-CD2 3.79Å; I217-F219 HydrophobicContact CG2-CE1 3.77Å; I217-F219 HydrophobicContact CG2-CE2 3.51Å; I217-F219 HydrophobicContact CG2-CG 4.05Å; I217-F219 HydrophobicContact CG2-CZ 3.51Å; F219-W246 HydrophobicContact CB-CE3 4.01Å; F219-W246 HydrophobicContact CB-CZ3 4.46Å; F219-W246 HydrophobicContact CD1-CB 4.3Å; F219-I247 WeakPolarHBondContact CA-O 3.45Å; F219-F257 HydrophobicContact CD1-CD2 4.28Å; F219-F257 HydrophobicContact CD1-CE2 4.4Å; F219-F257 AromaticContact CE1-CD2 3.61Å; F219-F257 HydrophobicContact CE1-CD2 3.61Å; F219-F257 HydrophobicContact CE1-CE1 4.47Å; F219-F257 AromaticContact CE1-CE2 3.5Å; F219-F257 HydrophobicContact CE1-CE2 3.5Å; F219-F257 VanDerWaalsContact CE1-CE2 3.5Å; F219-F257 HydrophobicContact CE1-CG 4.14Å; F219-F257 AromaticContact CE1-CZ 3.98Å; F219-F257 HydrophobicContact CE1-CZ 3.98Å; F219-F257 HydrophobicContact CZ-CE2 4.13Å; F219-F257 HydrophobicContact CZ-CZ 4.23Å; F219-R264 VanDerWaalsContact CD1-NH1 3.34Å
220	Y	95.3	Very high	83.5	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.9	174	-56.6	-84.6	0	0	0	110.6	E66 Y67 F68 H218 W246 I247 I249 Y313 F314 F317	E66-Y220 HydrophobicContact CB-CD1 4.09Å; E66-Y220 HydrophobicContact CB-CE1 4.38Å; E66-Y220 HydrophobicContact CG-CD1 4.49Å; Y67-Y220 VanDerWaalsContact O-CE1 3.28Å; Y67-Y220 WeakPolarHBondContact O-CE1 3.35Å; Y67-Y220 PolarHBondContact O-OH 3.48Å; F68-Y220 HydrophobicContact CD1-CE1 4.2Å; F68-Y220 HydrophobicContact CE1-CD1 4.11Å; F68-Y220 HydrophobicContact CE1-CE1 4.11Å; F68-Y220 HydrophobicContact CZ-CD1 4.18Å; F68-Y220 HydrophobicContact CZ-CE1 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.83Å; Y220-W246 CarbonylContact O-C 3.51Å; Y220-W246 VanDerWaalsContact O-CA 3.32Å; Y220-W246 WeakPolarHBondContact O-CA 3.32Å; Y220-I247 PolarHBondContact N-O 3.35Å; Y220-I247 WeakPolarHBondContact O-CG2 3.46Å; Y220-I247 PolarHBondContact O-N 3.22Å; Y220-I249 HydrophobicContact CD2-CD1 4.11Å; Y220-I249 HydrophobicContact CD2-CG1 4.41Å; Y220-I249 HydrophobicContact CE2-CD1 4.22Å; Y220-Y313 HydrophobicContact CD1-CE1 4.49Å; Y220-Y313 AromaticContact CE1-CE1 3.78Å; Y220-Y313 HydrophobicContact CE1-CE1 3.78Å; Y220-Y313 HydrophobicContact CE2-CE1 4.17Å; Y220-Y313 AromaticContact CZ-CE1 3.62Å; Y220-Y313 PolarHBondContact OH-OH 3.1Å; Y220-Y313 VanDerWaalsContact OH-OH 3.07Å; Y220-F314 VanDerWaalsContact CB-CZ 3.45Å; Y220-F314 HydrophobicContact CD1-CE1 4.1Å; Y220-F314 AromaticContact CD2-CE1 3.97Å; Y220-F314 HydrophobicContact CD2-CE1 3.97Å; Y220-F314 HydrophobicContact CG-CD1 4.45Å; Y220-F314 AromaticContact CG-CE1 3.54Å; Y220-F314 HydrophobicContact CG-CE1 3.54Å; Y220-F314 HydrophobicContact CG-CZ 4.16Å; Y220-F317 HydrophobicContact CE2-CD1 4.21Å; Y220-F317 HydrophobicContact CE2-CE1 4.15Å
221	R	92.3	Very high	81.1	Confident	60 Å²	60	58.9 Å²	58.9	23%	0.226	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.2	174.6	-66.2	-177.5	177.7	122.9	-2.9	111.5	D64 E66 L245 W246 K310	D64-R221 PolarHBondContact O-NH1 2.95Å; E66-R221 WeakPolarHBondContact OE1-CB 3.32Å; E66-R221 WeakPolarHBondContact OE1-CG 3.47Å; E66-R221 PolarHBondContact OE1-N 3.5Å; R221-L245 WeakPolarHBondContact CA-O 3.39Å; R221-W246 HydrophobicContact CG-CD2 4.25Å; R221-W246 HydrophobicContact CG-CE3 3.9Å; R221-W246 HydrophobicContact CG-CH2 3.7Å; R221-W246 HydrophobicContact CG-CZ2 4.05Å; R221-W246 HydrophobicContact CG-CZ3 3.61Å; R221-K310 WeakPolarHBondContact O-CE 3.46Å; R221-K310 PolarHBondContact O-NZ 3Å
222	L	90.7	Very high	78.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.8	-179.9	-167.1	70.6	0	0	0	108.5	L245 I247 I256 F303 F304 T305 F314	L222-L245 HydrophobicContact CB-CD2 4.18Å; L222-L245 HydrophobicContact CB-CG 4.5Å; L222-L245 HydrophobicContact CD2-CD2 4.02Å; L222-L245 HydrophobicContact CG-CD2 4.21Å; L222-L245 PolarHBondContact N-O 3.42Å; L222-L245 WeakPolarHBondContact O-CB 3.48Å; L222-L245 VanDerWaalsContact O-O 3.12Å; L222-I247 HydrophobicContact CD2-CB 4.27Å; L222-I256 HydrophobicContact CD2-CD1 3.9Å; L222-F303 HydrophobicContact CD1-CB 3.62Å; L222-F303 HydrophobicContact CD1-CG 4.4Å; L222-F303 HydrophobicContact CD2-CB 3.44Å; L222-F303 VanDerWaalsContact CD2-CB 3.44Å; L222-F303 HydrophobicContact CD2-CD1 3.44Å; L222-F303 VanDerWaalsContact CD2-CD1 3.44Å; L222-F303 HydrophobicContact CD2-CD2 3.77Å; L222-F303 HydrophobicContact CD2-CE1 4.07Å; L222-F303 HydrophobicContact CD2-CE2 4.35Å; L222-F303 HydrophobicContact CD2-CG 3.27Å; L222-F303 HydrophobicContact CD2-CZ 4.49Å; L222-F303 HydrophobicContact CG-CB 3.55Å; L222-F303 HydrophobicContact CG-CD1 4.12Å; L222-F303 HydrophobicContact CG-CG 3.95Å; L222-F304 WeakPolarHBondContact CD1-O 3.16Å; L222-T305 HydrophobicContact CD1-CG2 4.16Å; L222-F314 HydrophobicContact CD1-CD2 4.47Å; L222-F314 HydrophobicContact CD1-CE2 3.81Å
223	Y	89.9	Confident	76.1	Confident	10 Å²	10	66.2 Å²	66.2	4%	0.039	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-132.8	146.9	177.3	-53.1	-81.5	0	0	0	110.5	T225 P227 P235 D238 F303 F304 D306	Y223-T225 VanDerWaalsContact CB-O 3.24Å; Y223-T225 WeakPolarHBondContact CB-O 3.3Å; Y223-P227 HydrophobicContact CD1-CG 4.21Å; Y223-P227 HydrophobicContact CD2-CG 3.47Å; Y223-P227 VanDerWaalsContact CD2-CG 3.47Å; Y223-P227 HydrophobicContact CE1-CG 4.44Å; Y223-P227 HydrophobicContact CE2-CG 3.76Å; Y223-P227 HydrophobicContact CG-CG 3.71Å; Y223-P235 HydrophobicContact CE1-CG 4.25Å; Y223-D238 WeakPolarHBondContact CA-OD2 3.42Å; Y223-F303 CarbonylContact O-C 3.6Å; Y223-F303 WeakPolarHBondContact O-CA 3.19Å; Y223-F304 PolarHBondContact N-O 3.33Å; Y223-F304 PolarHBondContact O-N 2.9Å; Y223-D306 HydrophobicContact CE2-CB 4.47Å
224	R	86.1	Confident	73.8	Confident	103 Å²	103	61.9 Å²	61.9	39%	0.389	32%	0.324	S	S	.	.	S	Bend	trans	-77.1	-36.2	173.5	-62.8	-171.9	-178.7	-155.9	4.7	111.2	D238 L245 E258 F304	R224-D238 WeakPolarHBondContact CB-OD2 3.29Å; R224-D238 PolarHBondContact N-OD2 2.86Å; R224-L245 HydrophobicContact CG-CD2 3.91Å; R224-E258 IonicContact CZ-OE2 3.07Å; R224-E258 IonicContact NH2-OE2 3.96Å; R224-E258 PolarHBondContact NH2-OE2 3.21Å; R224-F304 WeakPolarHBondContact O-CD2 3.3Å; R224-F304 WeakPolarHBondContact O-CE2 3.43Å
225	T	79.8	Confident	71.6	Confident	42 Å²	42	63.1 Å²	63.1	26%	0.258	33%	0.332	S	S	.	.	S	Bend	trans	-117.6	162.9	174.1	50.6	0	0	0	0	112.3	Y223 P227 D240 F304	Y223-T225 VanDerWaalsContact CB-O 3.24Å; Y223-T225 WeakPolarHBondContact CB-O 3.3Å; T225-P227 VanDerWaalsContact O-CD 3.29Å; T225-P227 WeakPolarHBondContact O-CD 3.42Å; T225-D240 WeakPolarHBondContact CG2-OD2 3.42Å; T225-D240 PolarHBondContact OG1-OD1 2.79Å; T225-D240 PolarHBondContact OG1-OD2 3.33Å; T225-D240 VanDerWaalsContact OG1-OD2 3.1Å; T225-F304 VanDerWaalsContact C-CD2 3.46Å
226	K	76.4	Confident	69.8	Low	129 Å²	129	68.5 Å²	68.5	56%	0.561	36%	0.361	S	S	*	.			trans	-62.1	122.7	177.2	-174.8	-179.6	177.5	-175.9	0	108.2	S228 F304	K226-S228 PolarHBondContact O-N 2.95Å; K226-F304 HydrophobicContact CB-CD1 3.74Å; K226-F304 HydrophobicContact CB-CE1 3.75Å; K226-F304 HydrophobicContact CB-CG 4.41Å; K226-F304 HydrophobicContact CB-CZ 4.47Å; K226-F304 HydrophobicContact CG-CD1 4.32Å
227	P	66.5	Low	68.3	Low	26 Å²	26	68.5 Å²	68.5	17%	0.169	36%	0.361	C	S	.	.			trans	-61	106.9	171.4	-19.3	31.2	0	0	0	108.7	Y223 T225	Y223-P227 HydrophobicContact CD1-CG 4.21Å; Y223-P227 HydrophobicContact CD2-CG 3.47Å; Y223-P227 VanDerWaalsContact CD2-CG 3.47Å; Y223-P227 HydrophobicContact CE1-CG 4.44Å; Y223-P227 HydrophobicContact CE2-CG 3.76Å; Y223-P227 HydrophobicContact CG-CG 3.71Å; T225-P227 VanDerWaalsContact O-CD 3.29Å; T225-P227 WeakPolarHBondContact O-CD 3.42Å
228	S	55.9	Low	66.6	Low	89 Å²	89	67.8 Å²	67.8	62%	0.622	36%	0.358	S	S	*	.			trans	-66.2	161.1	169.2	-58.7	0	0	0	0	108.9	K226 M230	K226-S228 PolarHBondContact O-N 2.95Å; S228-M230 PolarHBondContact O-N 3.42Å
229	H	52.1	Low	64.8	Low	204 Å²	204	68.7 Å²	68.7	94%	0.944	37%	0.365	S	S	*	.			trans	-61.2	67.4	176.5	-105.6	-87.3	0	0	0	111.4
230	M	40.7	Very low	63.2	Low	106 Å²	106	72.5 Å²	72.5	52%	0.522	39%	0.386	S	S	.	.			trans	-73.2	134.3	172.8	-70.6	-86	-146	0	0	107.4	S228 T232	S228-M230 PolarHBondContact O-N 3.42Å; M230-T232 PolarHBondContact O-N 3.41Å
231	L	41.8	Very low	61.9	Low	184 Å²	184	75.5 Å²	75.5	96%	0.963	41%	0.405	S	S	*	.	S	Bend	trans	-65.3	8.2	-174.6	-75.4	121.7	0	0	0	114.9
232	T	39.2	Very low	61	Low	83 Å²	83	75.3 Å²	75.3	51%	0.509	42%	0.422	S	S	.	.	S	Bend	trans	-121.7	134.3	-177	55	0	0	0	0	110.4	M230 S234	M230-T232 PolarHBondContact O-N 3.41Å; T232-S234 PolarHBondContact O-N 3.15Å
233	P	38	Very low	60.4	Low	128 Å²	128	76.9 Å²	76.9	83%	0.831	43%	0.431	S	S	*	.	S	Bend	trans	-66.6	98.9	-177.7	26.7	-31.4	0	0	0	110.2
234	S	40.9	Very low	60.1	Low	46 Å²	46	77.6 Å²	77.6	32%	0.322	44%	0.437	S	S	.	.	S	Bend	trans	59.5	117.5	-169.3	-63.5	0	0	0	0	113.7	T232 L236	T232-S234 PolarHBondContact O-N 3.15Å; S234-L236 PolarHBondContact O-N 3.25Å
235	P	47.1	Very low	60.4	Low	30 Å²	30	72.9 Å²	72.9	20%	0.195	42%	0.42	C	S	.	.			trans	-58.8	128	164.9	29.1	-32	0	0	0	106.3	Y223 G237 P239	Y223-P235 HydrophobicContact CE1-CG 4.25Å; P235-G237 CarbonylContact C-O 3.42Å; P235-G237 VanDerWaalsContact CB-O 3.23Å; P235-G237 WeakPolarHBondContact CB-O 3.39Å; P235-G237 VanDerWaalsContact CG-O 3.31Å; P235-G237 WeakPolarHBondContact CG-O 3.45Å; P235-G237 PolarHBondContact O-N 3.41Å; P235-P239 HydrophobicContact CG-CG 4.49Å
236	L	55.2	Low	61	Low	132 Å²	132	72.4 Å²	72.4	69%	0.691	41%	0.413	S	S	*	.	S	Bend	trans	-57	-23.9	-177.3	-129.2	77.5	0	0	0	110.7	S234 P244	S234-L236 PolarHBondContact O-N 3.25Å; L236-P244 WeakPolarHBondContact O-CB 3.25Å; L236-P244 VanDerWaalsContact O-CG 3.3Å; L236-P244 WeakPolarHBondContact O-CG 3.13Å
237	G	59.2	Low	61.9	Low	7 Å²	7	66.3 Å²	66.3	7%	0.072	39%	0.387	C	S	.	.	S	Bend	trans	-126.7	-174	169.3	0	0	0	0	0	115.3	P235 G242	P235-G237 CarbonylContact C-O 3.42Å; P235-G237 VanDerWaalsContact CB-O 3.23Å; P235-G237 WeakPolarHBondContact CB-O 3.39Å; P235-G237 VanDerWaalsContact CG-O 3.31Å; P235-G237 WeakPolarHBondContact CG-O 3.45Å; P235-G237 PolarHBondContact O-N 3.41Å; G237-G242 WeakPolarHBondContact CA-O 3.45Å
238	D	60.4	Low	63.4	Low	2 Å²	2	65 Å²	65	1%	0.011	38%	0.378	C	S	.	.			trans	-59.5	139.6	178.5	-174.8	-94.6	0	0	0	111.9	Y223 R224 D240 T241 G242 V243	Y223-D238 WeakPolarHBondContact CA-OD2 3.42Å; R224-D238 WeakPolarHBondContact CB-OD2 3.29Å; R224-D238 PolarHBondContact N-OD2 2.86Å; D238-D240 PolarHBondContact O-N 3.1Å; D238-D240 VanDerWaalsContact O-N 3.16Å; D238-D240 WeakPolarHBondContact OD1-CB 3.43Å; D238-D240 PolarHBondContact OD1-N 3Å; D238-T241 PolarHBondContact O-N 3.08Å; D238-T241 PolarHBondContact OD1-N 3.01Å; D238-G242 WeakPolarHBondContact O-CA 3.37Å; D238-G242 PolarHBondContact O-N 3.09Å; D238-V243 WeakPolarHBondContact CB-O 3.27Å; D238-V243 PolarHBondContact N-O 2.99Å
239	P	59.6	Low	65.3	Low	33 Å²	33	60.9 Å²	60.9	21%	0.214	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.3	-178.3	-25.1	32.8	0	0	0	114.6	P235	P235-P239 HydrophobicContact CG-CG 4.49Å
240	D	60.6	Low	67.3	Low	104 Å²	104	52.3 Å²	52.3	56%	0.556	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-43.1	-175.2	-56.3	-17.6	0	0	0	111.5	T225 D238	T225-D240 WeakPolarHBondContact CG2-OD2 3.42Å; T225-D240 PolarHBondContact OG1-OD1 2.79Å; T225-D240 PolarHBondContact OG1-OD2 3.33Å; T225-D240 VanDerWaalsContact OG1-OD2 3.1Å; D238-D240 PolarHBondContact O-N 3.1Å; D238-D240 VanDerWaalsContact O-N 3.16Å; D238-D240 WeakPolarHBondContact OD1-CB 3.43Å; D238-D240 PolarHBondContact OD1-N 3Å
241	T	68	Low	69.6	Low	67 Å²	67	47.6 Å²	47.6	41%	0.411	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.2	-173.8	67.5	0	0	0	0	113.3	D238 V243	D238-T241 PolarHBondContact O-N 3.08Å; D238-T241 PolarHBondContact OD1-N 3.01Å; T241-V243 PolarHBondContact O-N 3.24Å; T241-V243 WeakPolarHBondContact OG1-CB 3.25Å; T241-V243 PolarHBondContact OG1-N 3.34Å; T241-V243 VanDerWaalsContact OG1-N 3.07Å
242	G	72.5	Confident	71.5	Confident	55 Å²	55	41.1 Å²	41.1	57%	0.567	25%	0.25	S	C	*	.	S	Bend	trans	70.1	0.5	-166.5	0	0	0	0	0	113.8	G237 D238	G237-G242 WeakPolarHBondContact CA-O 3.45Å; D238-G242 WeakPolarHBondContact O-CA 3.37Å; D238-G242 PolarHBondContact O-N 3.09Å
243	V	78.7	Confident	73.9	Confident	35 Å²	35	37.3 Å²	37.3	21%	0.212	23%	0.227	C	C	.	.	S	Bend	trans	-99.9	127.6	-174.2	-171.4	0	0	0	0	110.2	D238 T241 L245 E258 E259 K260	D238-V243 WeakPolarHBondContact CB-O 3.27Å; D238-V243 PolarHBondContact N-O 2.99Å; T241-V243 PolarHBondContact O-N 3.24Å; T241-V243 WeakPolarHBondContact OG1-CB 3.25Å; T241-V243 PolarHBondContact OG1-N 3.34Å; T241-V243 VanDerWaalsContact OG1-N 3.07Å; V243-L245 PolarHBondContact O-N 3.09Å; V243-E258 HydrophobicContact CB-CG 4.28Å; V243-E258 HydrophobicContact CG1-CG 3.41Å; V243-E258 VanDerWaalsContact CG1-CG 3.41Å; V243-E259 WeakPolarHBondContact CG1-O 3Å; V243-K260 HydrophobicContact CG1-CG 4.36Å
244	P	83.4	Confident	76.6	Confident	25 Å²	25	31.3 Å²	31.3	16%	0.162	19%	0.188	C	C	.	.			trans	-63.3	130.1	-179.8	-12	22	0	0	0	112.5	L236 E259	L236-P244 WeakPolarHBondContact O-CB 3.25Å; L236-P244 VanDerWaalsContact O-CG 3.3Å; L236-P244 WeakPolarHBondContact O-CG 3.13Å; P244-E259 HydrophobicContact CB-CB 3.98Å; P244-E259 HydrophobicContact CG-CB 4.03Å; P244-E259 PolarHBondContact O-N 2.88Å
245	L	91.6	Very high	79.2	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.8	174.6	-168.4	83	0	0	0	109.9	R221 L222 R224 V243 I256 F257 E258 L267 F303	R221-L245 WeakPolarHBondContact CA-O 3.39Å; L222-L245 HydrophobicContact CB-CD2 4.18Å; L222-L245 HydrophobicContact CB-CG 4.5Å; L222-L245 HydrophobicContact CD2-CD2 4.02Å; L222-L245 HydrophobicContact CG-CD2 4.21Å; L222-L245 PolarHBondContact N-O 3.42Å; L222-L245 WeakPolarHBondContact O-CB 3.48Å; L222-L245 VanDerWaalsContact O-O 3.12Å; R224-L245 HydrophobicContact CG-CD2 3.91Å; V243-L245 PolarHBondContact O-N 3.09Å; L245-I256 HydrophobicContact CD1-CG2 3.89Å; L245-I256 HydrophobicContact CD2-CG2 4.4Å; L245-I256 HydrophobicContact CG-CG2 4.18Å; L245-F257 WeakPolarHBondContact CA-O 3.19Å; L245-F257 VanDerWaalsContact CD1-O 3.32Å; L245-F257 WeakPolarHBondContact CD1-O 3.39Å; L245-E258 HydrophobicContact CD1-CB 4.43Å; L245-L267 HydrophobicContact CD1-CD1 3.76Å; L245-F303 HydrophobicContact CD2-CD1 3.78Å; L245-F303 HydrophobicContact CD2-CE1 3.87Å
246	W	93.4	Very high	81.4	Confident	32 Å²	32	28.1 Å²	28.1	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.4	-176.8	-58.9	85.4	0	0	0	111.4	F219 Y220 R221 I256 F257 E259	F219-W246 HydrophobicContact CB-CE3 4.01Å; F219-W246 HydrophobicContact CB-CZ3 4.46Å; F219-W246 HydrophobicContact CD1-CB 4.3Å; Y220-W246 CarbonylContact O-C 3.51Å; Y220-W246 VanDerWaalsContact O-CA 3.32Å; Y220-W246 WeakPolarHBondContact O-CA 3.32Å; R221-W246 HydrophobicContact CG-CD2 4.25Å; R221-W246 HydrophobicContact CG-CE3 3.9Å; R221-W246 HydrophobicContact CG-CH2 3.7Å; R221-W246 HydrophobicContact CG-CZ2 4.05Å; R221-W246 HydrophobicContact CG-CZ3 3.61Å; W246-I256 CarbonylContact O-C 3.57Å; W246-I256 WeakPolarHBondContact O-CA 3.38Å; W246-F257 HydrophobicContact CB-CB 4.25Å; W246-F257 PolarHBondContact N-O 3.15Å; W246-F257 PolarHBondContact O-N 2.83Å; W246-E259 PolarHBondContact NE1-OE2 3.05Å
247	I	95.9	Very high	83.3	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.2	161.6	-175.1	168	0	0	0	109.1	F219 Y220 L222 I249 L254 I256 F285 I287 F314	F219-I247 WeakPolarHBondContact CA-O 3.45Å; Y220-I247 PolarHBondContact N-O 3.35Å; Y220-I247 WeakPolarHBondContact O-CG2 3.46Å; Y220-I247 PolarHBondContact O-N 3.22Å; L222-I247 HydrophobicContact CD2-CB 4.27Å; I247-I249 HydrophobicContact CD1-CG1 4.36Å; I247-I249 HydrophobicContact CG1-CG1 4.1Å; I247-L254 HydrophobicContact CD1-CD1 4.46Å; I247-L254 HydrophobicContact CD1-CD2 4.47Å; I247-I256 HydrophobicContact CB-CD1 4.07Å; I247-I256 HydrophobicContact CD1-CD1 4.25Å; I247-I256 HydrophobicContact CG1-CD1 3.97Å; I247-F285 HydrophobicContact CD1-CE1 3.8Å; I247-F285 HydrophobicContact CD1-CZ 4.23Å; I247-I287 HydrophobicContact CD1-CD1 4.49Å; I247-F314 HydrophobicContact CG2-CD2 4.23Å; I247-F314 HydrophobicContact CG2-CE1 4.25Å; I247-F314 HydrophobicContact CG2-CE2 3.67Å; I247-F314 HydrophobicContact CG2-CZ 3.66Å
248	G	96.5	Very high	84.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.6	168.5	0	0	0	0	0	110.6	H218 L254 V255	H218-G248 WeakPolarHBondContact O-CA 3.15Å; G248-L254 CarbonylContact O-C 3.5Å; G248-L254 VanDerWaalsContact O-CA 3.29Å; G248-L254 WeakPolarHBondContact O-CA 3.24Å; G248-V255 PolarHBondContact N-O 2.84Å; G248-V255 PolarHBondContact O-N 3.16Å
249	I	96.8	Very high	86.1	Confident	1 Å²	1	25 Å²	25	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.6	178.1	-49.4	-178.3	0	0	0	108.6	H218 Y220 I247 L254 F314 F317 A318 Q321	H218-I249 PolarHBondContact CD2-O 3.43Å; H218-I249 PolarHBondContact N-O 3.03Å; H218-I249 PolarHBondContact O-N 3.29Å; Y220-I249 HydrophobicContact CD2-CD1 4.11Å; Y220-I249 HydrophobicContact CD2-CG1 4.41Å; Y220-I249 HydrophobicContact CE2-CD1 4.22Å; I247-I249 HydrophobicContact CD1-CG1 4.36Å; I247-I249 HydrophobicContact CG1-CG1 4.1Å; I249-L254 HydrophobicContact CB-CD2 4.11Å; I249-L254 HydrophobicContact CG1-CD2 3.9Å; I249-L254 HydrophobicContact CG2-CD2 3.77Å; I249-F314 HydrophobicContact CD1-CB 4.45Å; I249-F314 HydrophobicContact CD1-CD1 4.21Å; I249-F314 HydrophobicContact CD1-CG 4.49Å; I249-F317 HydrophobicContact CB-CD1 4.13Å; I249-F317 HydrophobicContact CB-CE1 4.25Å; I249-F317 HydrophobicContact CD1-CD1 3.97Å; I249-F317 HydrophobicContact CG2-CD1 3.91Å; I249-F317 HydrophobicContact CG2-CE1 4.25Å; I249-A318 HydrophobicContact CG2-CB 4.16Å; I249-Q321 HydrophobicContact CG2-CB 4.49Å; I249-Q321 HydrophobicContact CG2-CG 3.92Å
250	M	94.1	Very high	87.4	Confident	24 Å²	24	28.9 Å²	28.9	12%	0.118	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	168.3	-175.4	65.8	-177.9	-48.1	0	0	113.1	F215 G216 I217 R252 G253 W272	F215-M250 WeakPolarHBondContact O-CE 3.37Å; G216-M250 WeakPolarHBondContact O-CB 3.47Å; I217-M250 HydrophobicContact CD1-SD 4.07Å; I217-M250 HydrophobicContact CG1-CB 4.23Å; I217-M250 HydrophobicContact CG1-CE 3.98Å; I217-M250 HydrophobicContact CG1-CG 4.44Å; I217-M250 HydrophobicContact CG1-SD 3.7Å; M250-R252 HydrophobicContact CE-CB 4.18Å; M250-R252 HydrophobicContact CE-CG 4.33Å; M250-R252 HydrophobicContact CG-CB 4.24Å; M250-R252 PolarHBondContact O-N 3.34Å; M250-R252 HydrophobicContact SD-CB 4.21Å; M250-G253 WeakPolarHBondContact CG-O 3.38Å; M250-G253 PolarHBondContact N-O 3.22Å; M250-G253 PolarHBondContact O-N 2.88Å; M250-G253 VanDerWaalsContact O-N 3.15Å; M250-G253 VanDerWaalsContact O-O 3.05Å; M250-W272 VanDerWaalsContact O-CZ2 3.32Å; M250-W272 WeakPolarHBondContact O-CZ2 3.39Å; M250-W272 PolarHBondContact O-NE1 2.81Å
251	N	87.8	Confident	88.3	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.037	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.3	177.1	-78.6	-24.7	0	0	0	114.2	Y105 W272 Q321 F324 C325 M328	Y105-N251 PolarHBondContact N-ND2 3.19Å; Y105-N251 PolarHBondContact O-ND2 2.72Å; N251-W272 PolarHBondContact O-NE1 2.79Å; N251-Q321 PolarHBondContact OD1-OE1 2.73Å; N251-F324 WeakPolarHBondContact ND2-CD1 3.38Å; N251-F324 WeakPolarHBondContact OD1-CD1 3.41Å; N251-C325 WeakPolarHBondContact O-CB 3.44Å; N251-C325 PolarHBondContact O-SG 3.05Å; N251-M328 HydrophobicContact CB-CE 4.09Å
252	R	82.6	Confident	88.9	Confident	49 Å²	49	26.4 Å²	26.4	19%	0.185	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-18.1	-179.2	-65.5	175.6	173.4	175.6	-4.6	114.1	M250 W272 N390	M250-R252 HydrophobicContact CE-CB 4.18Å; M250-R252 HydrophobicContact CE-CG 4.33Å; M250-R252 HydrophobicContact CG-CB 4.24Å; M250-R252 PolarHBondContact O-N 3.34Å; M250-R252 HydrophobicContact SD-CB 4.21Å; R252-W272 VanDerWaalsContact C-CD1 3.44Å; R252-W272 PolarHBondContact O-N 2.86Å; R252-N390 PolarHBondContact NH2-OD1 3.08Å
253	G	89.7	Confident	89.5	Confident	3 Å²	3	30 Å²	30	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.7	-155.3	-176.8	0	0	0	0	0	113.2	M250 H270 W272	M250-G253 WeakPolarHBondContact CG-O 3.38Å; M250-G253 PolarHBondContact N-O 3.22Å; M250-G253 PolarHBondContact O-N 2.88Å; M250-G253 VanDerWaalsContact O-N 3.15Å; M250-G253 VanDerWaalsContact O-O 3.05Å; G253-H270 WeakPolarHBondContact CA-O 3.49Å; G253-W272 VanDerWaalsContact CA-CE2 3.47Å; G253-W272 VanDerWaalsContact N-NE1 3.17Å
254	L	94.9	Very high	90.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.3	169.7	-48.4	172	0	0	0	110.1	I247 G248 I249 H270 W272 L278 I287 A318	I247-L254 HydrophobicContact CD1-CD1 4.46Å; I247-L254 HydrophobicContact CD1-CD2 4.47Å; G248-L254 CarbonylContact O-C 3.5Å; G248-L254 VanDerWaalsContact O-CA 3.29Å; G248-L254 WeakPolarHBondContact O-CA 3.24Å; I249-L254 HydrophobicContact CB-CD2 4.11Å; I249-L254 HydrophobicContact CG1-CD2 3.9Å; I249-L254 HydrophobicContact CG2-CD2 3.77Å; L254-H270 HydrophobicContact CB-CB 4.16Å; L254-H270 PolarHBondContact N-O 3.41Å; L254-H270 PolarHBondContact O-N 2.86Å; L254-W272 HydrophobicContact CD2-CH2 3.71Å; L254-W272 HydrophobicContact CD2-CZ2 4.48Å; L254-W272 HydrophobicContact CD2-CZ3 4.32Å; L254-W272 HydrophobicContact CG-CH2 3.99Å; L254-W272 HydrophobicContact CG-CZ3 4.15Å; L254-L278 HydrophobicContact CD1-CD1 3.92Å; L254-L278 HydrophobicContact CD1-CD2 3.56Å; L254-L278 HydrophobicContact CD1-CG 4.38Å; L254-I287 HydrophobicContact CD1-CD1 4Å; L254-I287 HydrophobicContact CD1-CG1 4.31Å; L254-A318 HydrophobicContact CD2-CB 4.15Å
255	V	94.2	Very high	90.4	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.6	171.3	-174.6	0	0	0	0	108.5	G248 F257 P266 S268 H269	G248-V255 PolarHBondContact N-O 2.84Å; G248-V255 PolarHBondContact O-N 3.16Å; V255-F257 HydrophobicContact CB-CD2 4.19Å; V255-F257 HydrophobicContact CB-CE2 3.46Å; V255-F257 VanDerWaalsContact CB-CE2 3.46Å; V255-F257 HydrophobicContact CB-CZ 3.87Å; V255-F257 HydrophobicContact CG1-CD2 3.92Å; V255-F257 HydrophobicContact CG1-CE1 4.09Å; V255-F257 HydrophobicContact CG1-CE2 3.38Å; V255-F257 HydrophobicContact CG1-CG 4.49Å; V255-F257 HydrophobicContact CG1-CZ 3.46Å; V255-F257 VanDerWaalsContact CG1-CZ 3.46Å; V255-P266 HydrophobicContact CG1-CB 3.95Å; V255-S268 CarbonylContact C-O 3.59Å; V255-S268 WeakPolarHBondContact CA-O 3.41Å; V255-S268 WeakPolarHBondContact CG1-O 3.37Å; V255-H269 WeakPolarHBondContact CG2-ND1 3.36Å
256	I	95	Very high	90.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.1	172.4	-54.9	-59.9	0	0	0	107.8	L222 L245 W246 I247 L267 S268 I287 F303	L222-I256 HydrophobicContact CD2-CD1 3.9Å; L245-I256 HydrophobicContact CD1-CG2 3.89Å; L245-I256 HydrophobicContact CD2-CG2 4.4Å; L245-I256 HydrophobicContact CG-CG2 4.18Å; W246-I256 CarbonylContact O-C 3.57Å; W246-I256 WeakPolarHBondContact O-CA 3.38Å; I247-I256 HydrophobicContact CB-CD1 4.07Å; I247-I256 HydrophobicContact CD1-CD1 4.25Å; I247-I256 HydrophobicContact CG1-CD1 3.97Å; I256-L267 HydrophobicContact CG2-CB 4.48Å; I256-L267 HydrophobicContact CG2-CD1 4.37Å; I256-L267 PolarHBondContact O-N 3.01Å; I256-S268 PolarHBondContact N-O 3.19Å; I256-S268 PolarHBondContact O-N 3.16Å; I256-I287 HydrophobicContact CD1-CD1 4Å; I256-I287 HydrophobicContact CG1-CD1 4.45Å; I256-F303 HydrophobicContact CB-CZ 4.48Å; I256-F303 HydrophobicContact CD1-CD2 4.5Å; I256-F303 HydrophobicContact CD1-CE2 3.92Å; I256-F303 HydrophobicContact CD1-CZ 4.03Å; I256-F303 HydrophobicContact CG1-CE2 3.99Å; I256-F303 HydrophobicContact CG1-CZ 3.77Å; I256-F303 HydrophobicContact CG2-CE1 4.16Å; I256-F303 HydrophobicContact CG2-CZ 4.07Å
257	F	93.9	Very high	90.4	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.1	178.6	-61.2	-101.7	0	0	0	111.2	I217 F219 L245 W246 V255 R264 I265 P266	I217-F257 HydrophobicContact CD1-CE2 4.09Å; I217-F257 HydrophobicContact CD1-CZ 3.74Å; F219-F257 HydrophobicContact CD1-CD2 4.28Å; F219-F257 HydrophobicContact CD1-CE2 4.4Å; F219-F257 AromaticContact CE1-CD2 3.61Å; F219-F257 HydrophobicContact CE1-CD2 3.61Å; F219-F257 HydrophobicContact CE1-CE1 4.47Å; F219-F257 AromaticContact CE1-CE2 3.5Å; F219-F257 HydrophobicContact CE1-CE2 3.5Å; F219-F257 VanDerWaalsContact CE1-CE2 3.5Å; F219-F257 HydrophobicContact CE1-CG 4.14Å; F219-F257 AromaticContact CE1-CZ 3.98Å; F219-F257 HydrophobicContact CE1-CZ 3.98Å; F219-F257 HydrophobicContact CZ-CE2 4.13Å; F219-F257 HydrophobicContact CZ-CZ 4.23Å; L245-F257 WeakPolarHBondContact CA-O 3.19Å; L245-F257 VanDerWaalsContact CD1-O 3.32Å; L245-F257 WeakPolarHBondContact CD1-O 3.39Å; W246-F257 HydrophobicContact CB-CB 4.25Å; W246-F257 PolarHBondContact N-O 3.15Å; W246-F257 PolarHBondContact O-N 2.83Å; V255-F257 HydrophobicContact CB-CD2 4.19Å; V255-F257 HydrophobicContact CB-CE2 3.46Å; V255-F257 VanDerWaalsContact CB-CE2 3.46Å; V255-F257 HydrophobicContact CB-CZ 3.87Å; V255-F257 HydrophobicContact CG1-CD2 3.92Å; V255-F257 HydrophobicContact CG1-CE1 4.09Å; V255-F257 HydrophobicContact CG1-CE2 3.38Å; V255-F257 HydrophobicContact CG1-CG 4.49Å; V255-F257 HydrophobicContact CG1-CZ 3.46Å; V255-F257 VanDerWaalsContact CG1-CZ 3.46Å; F257-R264 HydrophobicContact CB-CB 4.08Å; F257-R264 HydrophobicContact CD1-CB 3.92Å; F257-R264 HydrophobicContact CG-CB 4.23Å; F257-I265 CarbonylContact C-O 3.58Å; F257-I265 WeakPolarHBondContact CA-O 3.28Å; F257-P266 HydrophobicContact CD1-CB 3.92Å; F257-P266 HydrophobicContact CE1-CB 3.75Å; F257-P266 HydrophobicContact CE1-CG 4.33Å; F257-P266 HydrophobicContact CZ-CB 4.48Å
258	E	91.4	Very high	90.1	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.089	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132	168.6	-177.7	173.7	143.2	0	0	108.7	R224 V243 L245 K260 I265 L267	R224-E258 IonicContact CZ-OE2 3.07Å; R224-E258 IonicContact NH2-OE2 3.96Å; R224-E258 PolarHBondContact NH2-OE2 3.21Å; V243-E258 HydrophobicContact CB-CG 4.28Å; V243-E258 HydrophobicContact CG1-CG 3.41Å; V243-E258 VanDerWaalsContact CG1-CG 3.41Å; L245-E258 HydrophobicContact CD1-CB 4.43Å; E258-K260 HydrophobicContact CG-CG 4.48Å; E258-K260 WeakPolarHBondContact OE1-CE 3.39Å; E258-K260 IonicContact OE1-NZ 3.69Å; E258-K260 PolarHBondContact OE1-NZ 3.22Å; E258-I265 PolarHBondContact N-O 3.13Å; E258-I265 PolarHBondContact O-N 3.44Å; E258-L267 HydrophobicContact CB-CD1 3.76Å; E258-L267 HydrophobicContact CB-CD2 4.08Å; E258-L267 HydrophobicContact CB-CG 3.85Å
259	E	87.7	Confident	89.8	Confident	54 Å²	54	42.9 Å²	42.9	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	115	-176.2	-171.3	179.5	165.6	0	0	111.2	V243 P244 W246 F263 R264	V243-E259 WeakPolarHBondContact CG1-O 3Å; P244-E259 HydrophobicContact CB-CB 3.98Å; P244-E259 HydrophobicContact CG-CB 4.03Å; P244-E259 PolarHBondContact O-N 2.88Å; W246-E259 PolarHBondContact NE1-OE2 3.05Å; E259-F263 CarbonylContact C-O 3.52Å; E259-F263 WeakPolarHBondContact CA-O 3.21Å; E259-R264 HydrophobicContact CG-CG 4.49Å
260	K	86	Confident	89.5	Confident	113 Å²	113	43.4 Å²	43.4	49%	0.491	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.6	176.6	-61.2	-171.8	-177.4	179.4	0	109.8	V243 E258 G262 F263 I265	V243-K260 HydrophobicContact CG1-CG 4.36Å; E258-K260 HydrophobicContact CG-CG 4.48Å; E258-K260 WeakPolarHBondContact OE1-CE 3.39Å; E258-K260 IonicContact OE1-NZ 3.69Å; E258-K260 PolarHBondContact OE1-NZ 3.22Å; K260-G262 PolarHBondContact O-N 2.96Å; K260-F263 PolarHBondContact N-O 2.92Å; K260-F263 PolarHBondContact O-N 2.83Å; K260-I265 HydrophobicContact CB-CD1 3.87Å; K260-I265 HydrophobicContact CD-CD1 4.03Å; K260-I265 HydrophobicContact CG-CD1 4.13Å
261	G	80.2	Confident	89.3	Confident	79 Å²	79	44 Å²	44	81%	0.814	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	30	179.3	0	0	0	0	0	114	F263	G261-F263 VanDerWaalsContact C-N 3.27Å; G261-F263 WeakPolarHBondContact O-CD2 3.48Å; G261-F263 PolarHBondContact O-N 3.46Å
262	G	80.5	Confident	89.2	Confident	40 Å²	40	44.2 Å²	44.2	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-5	-175.4	0	0	0	0	0	114.9	Q135 K260	Q135-G262 PolarHBondContact NE2-O 3.26Å; K260-G262 PolarHBondContact O-N 2.96Å
263	F	85.2	Confident	89.2	Confident	131 Å²	131	46.5 Å²	46.5	58%	0.575	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.2	176.7	-63.4	-82.2	0	0	0	111.1	E259 K260 G261	E259-F263 CarbonylContact C-O 3.52Å; E259-F263 WeakPolarHBondContact CA-O 3.21Å; K260-F263 PolarHBondContact N-O 2.92Å; K260-F263 PolarHBondContact O-N 2.83Å; G261-F263 VanDerWaalsContact C-N 3.27Å; G261-F263 WeakPolarHBondContact O-CD2 3.48Å; G261-F263 PolarHBondContact O-N 3.46Å
264	R	90.9	Very high	88.9	Confident	18 Å²	18	48 Å²	48	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.1	174.4	-68.5	-179.1	-68	-147.2	-5	110	R133 Q135 R213 E214 F219 F257 E259	R133-R264 PolarHBondContact O-NH2 3.19Å; Q135-R264 VanDerWaalsContact OE1-N 3.12Å; R213-R264 PolarHBondContact NH2-O 3.42Å; E214-R264 VanDerWaalsContact CD-NH2 3.26Å; E214-R264 WeakPolarHBondContact OE1-CB 3.39Å; E214-R264 IonicContact OE1-CZ 3.58Å; E214-R264 IonicContact OE1-NE 3.53Å; E214-R264 PolarHBondContact OE1-NE 2.96Å; E214-R264 IonicContact OE1-NH2 2.77Å; E214-R264 PolarHBondContact OE1-NH2 3.33Å; E214-R264 IonicContact OE2-CZ 3.74Å; E214-R264 IonicContact OE2-NE 2.66Å; E214-R264 IonicContact OE2-NH2 3.95Å; E214-R264 PolarHBondContact OE2-NH2 2.96Å; F219-R264 VanDerWaalsContact CD1-NH1 3.34Å; F257-R264 HydrophobicContact CB-CB 4.08Å; F257-R264 HydrophobicContact CD1-CB 3.92Å; F257-R264 HydrophobicContact CG-CB 4.23Å; E259-R264 HydrophobicContact CG-CG 4.49Å
265	I	91	Very high	88.5	Confident	73 Å²	73	48 Å²	48	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.5	-179.3	-57.8	172.6	0	0	0	108.5	F257 E258 K260 L267	F257-I265 CarbonylContact C-O 3.58Å; F257-I265 WeakPolarHBondContact CA-O 3.28Å; E258-I265 PolarHBondContact N-O 3.13Å; E258-I265 PolarHBondContact O-N 3.44Å; K260-I265 HydrophobicContact CB-CD1 3.87Å; K260-I265 HydrophobicContact CD-CD1 4.03Å; K260-I265 HydrophobicContact CG-CD1 4.13Å; I265-L267 PolarHBondContact O-N 3.24Å
266	P	92.1	Very high	88	Confident	38 Å²	38	49.6 Å²	49.6	25%	0.247	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.3	179.6	27.1	-33.2	0	0	0	110.7	R213 V255 F257	R213-P266 VanDerWaalsContact NH1-CD 3.34Å; V255-P266 HydrophobicContact CG1-CB 3.95Å; F257-P266 HydrophobicContact CD1-CB 3.92Å; F257-P266 HydrophobicContact CE1-CB 3.75Å; F257-P266 HydrophobicContact CE1-CG 4.33Å; F257-P266 HydrophobicContact CZ-CB 4.48Å
267	L	91.1	Very high	87.4	Confident	81 Å²	81	50.3 Å²	50.3	42%	0.424	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-39.4	176.5	-69.6	-174.6	0	0	0	113	L245 I256 E258 I265	L245-L267 HydrophobicContact CD1-CD1 3.76Å; I256-L267 HydrophobicContact CG2-CB 4.48Å; I256-L267 HydrophobicContact CG2-CD1 4.37Å; I256-L267 PolarHBondContact O-N 3.01Å; E258-L267 HydrophobicContact CB-CD1 3.76Å; E258-L267 HydrophobicContact CB-CD2 4.08Å; E258-L267 HydrophobicContact CB-CG 3.85Å; I265-L267 PolarHBondContact O-N 3.24Å
268	S	90.4	Very high	87.2	Confident	31 Å²	31	50.1 Å²	50.1	22%	0.217	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	144.1	179.6	62.2	0	0	0	0	112	V255 I256 H270	V255-S268 CarbonylContact C-O 3.59Å; V255-S268 WeakPolarHBondContact CA-O 3.41Å; V255-S268 WeakPolarHBondContact CG1-O 3.37Å; I256-S268 PolarHBondContact N-O 3.19Å; I256-S268 PolarHBondContact O-N 3.16Å; S268-H270 PolarHBondContact OG-NE2 2.72Å
269	H	90.5	Very high	86.9	Confident	125 Å²	125	50.2 Å²	50.2	58%	0.579	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.7	-179.9	-66.5	-100.8	0	0	0	110.5	V255	V255-H269 WeakPolarHBondContact CG2-ND1 3.36Å
270	H	91.2	Very high	87	Confident	13 Å²	13	48.4 Å²	48.4	6%	0.06	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	81.2	-178.2	-55.2	-78	0	0	0	109.2	G253 L254 S268 T275 I287 L301	G253-H270 WeakPolarHBondContact CA-O 3.49Å; L254-H270 HydrophobicContact CB-CB 4.16Å; L254-H270 PolarHBondContact N-O 3.41Å; L254-H270 PolarHBondContact O-N 2.86Å; S268-H270 PolarHBondContact OG-NE2 2.72Å; H270-T275 PolarHBondContact O-OG1 2.75Å; H270-I287 HydrophobicContact CB-CG2 4.26Å; H270-L301 WeakPolarHBondContact CE1-CD1 3.4Å; H270-L301 WeakPolarHBondContact NE2-CD1 3.17Å
271	P	88.2	Confident	87.1	Confident	37 Å²	37	46.5 Å²	46.5	24%	0.24	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	151.6	178.4	29.9	-35.1	0	0	0	110.5	H273 L274 T275	P271-H273 PolarHBondContact O-N 3.02Å; P271-H273 VanDerWaalsContact O-N 3.13Å; P271-L274 HydrophobicContact CG-CB 4.08Å; P271-L274 HydrophobicContact CG-CD1 3.73Å; P271-L274 HydrophobicContact CG-CG 3.9Å; P271-L274 PolarHBondContact O-N 2.94Å; P271-T275 PolarHBondContact O-N 2.65Å; P271-T275 PolarHBondContact O-OG1 3.36Å
272	W	87.5	Confident	87.5	Confident	10 Å²	10	47.9 Å²	47.9	4%	0.038	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.4	-173.7	-65.9	128.1	0	0	0	114.4	M250 N251 R252 G253 L254 L274 T275 L278 A318 Q321 H322 L409	M250-W272 VanDerWaalsContact O-CZ2 3.32Å; M250-W272 WeakPolarHBondContact O-CZ2 3.39Å; M250-W272 PolarHBondContact O-NE1 2.81Å; N251-W272 PolarHBondContact O-NE1 2.79Å; R252-W272 VanDerWaalsContact C-CD1 3.44Å; R252-W272 PolarHBondContact O-N 2.86Å; G253-W272 VanDerWaalsContact CA-CE2 3.47Å; G253-W272 VanDerWaalsContact N-NE1 3.17Å; L254-W272 HydrophobicContact CD2-CH2 3.71Å; L254-W272 HydrophobicContact CD2-CZ2 4.48Å; L254-W272 HydrophobicContact CD2-CZ3 4.32Å; L254-W272 HydrophobicContact CG-CH2 3.99Å; L254-W272 HydrophobicContact CG-CZ3 4.15Å; W272-L274 VanDerWaalsContact C-N 3.3Å; W272-L274 PolarHBondContact O-N 2.58Å; W272-T275 PolarHBondContact O-N 2.57Å; W272-L278 HydrophobicContact CZ3-CD1 4.32Å; W272-A318 HydrophobicContact CH2-CB 3.79Å; W272-A318 WeakPolarHBondContact CH2-O 3.4Å; W272-A318 HydrophobicContact CZ3-CB 4.33Å; W272-Q321 HydrophobicContact CZ2-CB 4.04Å; W272-H322 AromaticContact CD1-CD2 3.93Å; W272-H322 HydrophobicContact CD2-CB 3.96Å; W272-H322 AromaticContact CD2-CD2 3.75Å; W272-H322 HydrophobicContact CE3-CB 4.14Å; W272-H322 HydrophobicContact CG-CB 4.48Å; W272-H322 AromaticContact CG-CD2 3.45Å; W272-H322 VanDerWaalsContact CG-CD2 3.45Å; W272-H322 HydrophobicContact CZ2-CB 4.3Å; W272-H322 HydrophobicContact CZ3-CB 4.41Å; W272-L409 HydrophobicContact CE3-CD2 4.36Å; W272-L409 HydrophobicContact CZ3-CD2 4.12Å
273	H	80.7	Confident	87.9	Confident	98 Å²	98	48.8 Å²	48.8	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.8	-179.1	66	-88	0	0	0	113.8	P271 Q293	P271-H273 PolarHBondContact O-N 3.02Å; P271-H273 VanDerWaalsContact O-N 3.13Å; H273-Q293 PolarHBondContact NE2-NE2 3.01Å
274	L	85	Confident	88.1	Confident	33 Å²	33	46.8 Å²	46.8	17%	0.173	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-22.8	173.2	-62.7	-179.1	0	0	0	112.4	P271 W272 Q276 A289 R290 Q293	P271-L274 HydrophobicContact CG-CB 4.08Å; P271-L274 HydrophobicContact CG-CD1 3.73Å; P271-L274 HydrophobicContact CG-CG 3.9Å; P271-L274 PolarHBondContact O-N 2.94Å; W272-L274 VanDerWaalsContact C-N 3.3Å; W272-L274 PolarHBondContact O-N 2.58Å; L274-Q276 PolarHBondContact O-N 3.14Å; L274-A289 CarbonylContact O-C 3.6Å; L274-A289 VanDerWaalsContact O-CA 3.3Å; L274-A289 WeakPolarHBondContact O-CA 3.48Å; L274-R290 HydrophobicContact CD2-CB 4.44Å; L274-R290 PolarHBondContact O-N 3.04Å; L274-Q293 HydrophobicContact CD2-CB 4.45Å; L274-Q293 HydrophobicContact CD2-CG 3.77Å
275	T	86	Confident	88.1	Confident	4 Å²	4	46 Å²	46	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	115.2	-179.5	-50.7	0	0	0	0	110.1	H270 P271 W272 L278 I287 L409	H270-T275 PolarHBondContact O-OG1 2.75Å; P271-T275 PolarHBondContact O-N 2.65Å; P271-T275 PolarHBondContact O-OG1 3.36Å; W272-T275 PolarHBondContact O-N 2.57Å; T275-L278 HydrophobicContact CG2-CD2 3.86Å; T275-L278 HydrophobicContact CG2-CG 4.3Å; T275-I287 HydrophobicContact CG2-CG2 4.44Å; T275-L409 HydrophobicContact CG2-CD1 3.6Å; T275-L409 WeakPolarHBondContact O-CD1 3.46Å
276	Q	82.7	Confident	88.1	Confident	40 Å²	40	43.5 Å²	43.5	19%	0.187	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-50.3	-177.6	-69.8	-64.5	-47.9	0	0	112	L274 V288 R290 L298 R410	L274-Q276 PolarHBondContact O-N 3.14Å; Q276-V288 PolarHBondContact N-O 3.37Å; Q276-R290 HydrophobicContact CG-CG 4.08Å; Q276-L298 HydrophobicContact CG-CD2 3.76Å; Q276-R410 PolarHBondContact O-N 3.05Å; Q276-R410 VanDerWaalsContact O-N 3.11Å
277	T	83.9	Confident	88.1	Confident	16 Å²	16	41.7 Å²	41.7	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	143.2	-178.3	-174.9	0	0	0	0	111.3	Q279 V288 R410	T277-Q279 HydrophobicContact CG2-CG 3.91Å; T277-Q279 VanDerWaalsContact OG1-CG 3.31Å; T277-Q279 WeakPolarHBondContact OG1-CG 3.44Å; T277-V288 HydrophobicContact CG2-CB 3.57Å; T277-V288 HydrophobicContact CG2-CG1 4.17Å; T277-V288 HydrophobicContact CG2-CG2 3.73Å; T277-V288 PolarHBondContact N-O 2.99Å; T277-V288 PolarHBondContact O-N 3.04Å; T277-R410 WeakPolarHBondContact CA-O 3.5Å; T277-R410 WeakPolarHBondContact CB-O 3.39Å; T277-R410 PolarHBondContact OG1-O 3.12Å
278	L	88.3	Confident	88.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.6	165	-58.5	178	0	0	0	107.2	L254 W272 T275 F285 I287 V315 A318 L409 R410 H412	L254-L278 HydrophobicContact CD1-CD1 3.92Å; L254-L278 HydrophobicContact CD1-CD2 3.56Å; L254-L278 HydrophobicContact CD1-CG 4.38Å; W272-L278 HydrophobicContact CZ3-CD1 4.32Å; T275-L278 HydrophobicContact CG2-CD2 3.86Å; T275-L278 HydrophobicContact CG2-CG 4.3Å; L278-F285 HydrophobicContact CD2-CZ 4.18Å; L278-I287 HydrophobicContact CD2-CB 4.29Å; L278-I287 HydrophobicContact CD2-CG1 4.07Å; L278-I287 HydrophobicContact CD2-CG2 4.06Å; L278-V315 HydrophobicContact CB-CG2 4.25Å; L278-A318 HydrophobicContact CD1-CB 3.3Å; L278-L409 HydrophobicContact CD1-CD2 4.15Å; L278-L409 HydrophobicContact CG-CD1 4.45Å; L278-L409 HydrophobicContact CG-CD2 4.35Å; L278-R410 PolarHBondContact N-O 2.98Å; L278-H412 PolarHBondContact O-N 3.26Å
279	Q	86.2	Confident	87.9	Confident	20 Å²	20	37.4 Å²	37.4	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.6	-175.3	-51.1	178.7	-62.2	0	0	108.9	T277 Y286 H412 F414	T277-Q279 HydrophobicContact CG2-CG 3.91Å; T277-Q279 VanDerWaalsContact OG1-CG 3.31Å; T277-Q279 WeakPolarHBondContact OG1-CG 3.44Å; Q279-Y286 HydrophobicContact CB-CD2 4.07Å; Q279-Y286 PolarHBondContact N-O 3.14Å; Q279-Y286 VanDerWaalsContact N-O 3.12Å; Q279-Y286 PolarHBondContact O-N 3.07Å; Q279-H412 VanDerWaalsContact CA-O 3.22Å; Q279-H412 WeakPolarHBondContact CA-O 3.36Å; Q279-H412 VanDerWaalsContact CB-O 3.25Å; Q279-H412 WeakPolarHBondContact CB-O 3.49Å; Q279-H412 HydrophobicContact CG-CB 3.99Å; Q279-H412 WeakPolarHBondContact CG-O 3.48Å; Q279-F414 HydrophobicContact CB-CD2 4.23Å; Q279-F414 HydrophobicContact CB-CE2 4.02Å; Q279-F414 HydrophobicContact CG-CE2 4.29Å; Q279-F414 VanDerWaalsContact OE1-CZ 3.3Å
280	F	89.8	Confident	87.5	Confident	17 Å²	17	35.2 Å²	35.2	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.5	167.4	77.9	-81.4	0	0	0	110.4	K284 F285 V315 C413	F280-K284 CarbonylContact C-O 3.58Å; F280-K284 WeakPolarHBondContact CA-O 3.48Å; F280-K284 VanDerWaalsContact CB-O 3.25Å; F280-K284 WeakPolarHBondContact CB-O 3.45Å; F280-F285 HydrophobicContact CB-CD2 4.44Å; F280-V315 HydrophobicContact CB-CG2 4.5Å; F280-V315 HydrophobicContact CD1-CB 4.46Å; F280-V315 HydrophobicContact CD1-CG2 3.86Å; F280-C413 WeakPolarHBondContact CE1-SG 3.3Å
281	D	87	Confident	86.8	Confident	72 Å²	72	41.6 Å²	41.6	39%	0.385	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	106.1	171.5	172.1	26	0	0	0	107.8	K283 K284 Y286	D281-K283 PolarHBondContact O-N 3.17Å; D281-K284 PolarHBondContact N-O 2.78Å; D281-K284 WeakPolarHBondContact O-CB 3.44Å; D281-K284 PolarHBondContact O-N 2.99Å; D281-Y286 HydrophobicContact CB-CE2 3.91Å
282	H	89.1	Confident	85.7	Confident	109 Å²	109	42.1 Å²	42.1	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-108.1	-172.5	-164.8	-104.4	0	0	0	112.4	Y308 S311	H282-Y308 VanDerWaalsContact O-CA 3.22Å; H282-Y308 WeakPolarHBondContact O-CA 3.45Å; H282-Y308 WeakPolarHBondContact O-CB 3.24Å; H282-S311 WeakPolarHBondContact O-CB 3.28Å
283	K	89.2	Confident	84.5	Confident	59 Å²	59	46.5 Å²	46.5	26%	0.257	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.9	177.3	-69.8	-175.6	-169	-160.1	0	113.4	D281 F304 T305 D306	D281-K283 PolarHBondContact O-N 3.17Å; K283-F304 CarbonylContact O-C 3.51Å; K283-F304 VanDerWaalsContact O-CA 3.23Å; K283-F304 WeakPolarHBondContact O-CA 3.33Å; K283-T305 WeakPolarHBondContact CB-O 3.39Å; K283-T305 PolarHBondContact O-N 3.34Å; K283-T305 PolarHBondContact O-OG1 3.45Å; K283-D306 WeakPolarHBondContact CE-O 3.44Å; K283-D306 PolarHBondContact NZ-O 3.39Å
284	K	90	Very high	83.6	Confident	88 Å²	88	49 Å²	49	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128	178.6	-67.1	176.6	-179.8	176.4	0	109.2	F280 D281 Y286 F303 F304	F280-K284 CarbonylContact C-O 3.58Å; F280-K284 WeakPolarHBondContact CA-O 3.48Å; F280-K284 VanDerWaalsContact CB-O 3.25Å; F280-K284 WeakPolarHBondContact CB-O 3.45Å; D281-K284 PolarHBondContact N-O 2.78Å; D281-K284 WeakPolarHBondContact O-CB 3.44Å; D281-K284 PolarHBondContact O-N 2.99Å; K284-Y286 HydrophobicContact CB-CE2 4.12Å; K284-Y286 WeakPolarHBondContact CD-OH 3.38Å; K284-F303 CarbonylContact C-O 3.59Å; K284-F303 WeakPolarHBondContact CA-O 3.49Å; K284-F304 HydrophobicContact CD-CE1 4.07Å; K284-F304 HydrophobicContact CD-CZ 4.45Å; K284-F304 HydrophobicContact CG-CD1 3.75Å; K284-F304 HydrophobicContact CG-CE1 3.38Å; K284-F304 HydrophobicContact CG-CZ 4.03Å
285	F	90.6	Very high	82.4	Confident	1 Å²	1	48.2 Å²	48.2	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.4	176.4	177	-100.3	0	0	0	109.5	I247 L278 F280 I287 F303 F314 V315	I247-F285 HydrophobicContact CD1-CE1 3.8Å; I247-F285 HydrophobicContact CD1-CZ 4.23Å; L278-F285 HydrophobicContact CD2-CZ 4.18Å; F280-F285 HydrophobicContact CB-CD2 4.44Å; F285-I287 HydrophobicContact CD1-CG1 4.19Å; F285-I287 HydrophobicContact CE1-CD1 3.95Å; F285-I287 HydrophobicContact CE1-CG1 3.48Å; F285-I287 VanDerWaalsContact CE1-CG1 3.48Å; F285-I287 HydrophobicContact CZ-CG1 4.22Å; F285-F303 PolarHBondContact N-O 3.14Å; F285-F303 PolarHBondContact O-N 3.33Å; F285-F314 HydrophobicContact CD2-CB 4.14Å; F285-F314 HydrophobicContact CD2-CD2 4.39Å; F285-F314 HydrophobicContact CE2-CB 3.74Å; F285-F314 HydrophobicContact CG-CD2 4.43Å; F285-F314 HydrophobicContact CZ-CB 4.22Å; F285-V315 HydrophobicContact CD2-CG2 4.03Å; F285-V315 HydrophobicContact CE2-CG2 3.61Å
286	Y	91.1	Very high	81.5	Confident	22 Å²	22	56.2 Å²	56.2	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.6	-175.8	-51.4	-80.8	0	0	0	110.9	Q279 D281 K284 K300 L301 T302 F414	Q279-Y286 HydrophobicContact CB-CD2 4.07Å; Q279-Y286 PolarHBondContact N-O 3.14Å; Q279-Y286 VanDerWaalsContact N-O 3.12Å; Q279-Y286 PolarHBondContact O-N 3.07Å; D281-Y286 HydrophobicContact CB-CE2 3.91Å; K284-Y286 HydrophobicContact CB-CE2 4.12Å; K284-Y286 WeakPolarHBondContact CD-OH 3.38Å; Y286-K300 HydrophobicContact CD1-CD 4.41Å; Y286-K300 HydrophobicContact CD1-CG 4.44Å; Y286-L301 CarbonylContact C-O 3.56Å; Y286-L301 VanDerWaalsContact CA-O 3.29Å; Y286-L301 WeakPolarHBondContact CA-O 3.36Å; Y286-T302 HydrophobicContact CD1-CG2 4.03Å; Y286-T302 VanDerWaalsContact CD1-OG1 3.22Å; Y286-T302 WeakPolarHBondContact CD1-OG1 3.37Å; Y286-T302 HydrophobicContact CE1-CG2 3.73Å; Y286-T302 WeakPolarHBondContact CE1-OG1 3.26Å; Y286-F414 HydrophobicContact CD2-CE2 4.4Å; Y286-F414 HydrophobicContact CE2-CD2 4.45Å
287	I	92.5	Very high	81.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.5	167.3	-54	178.2	0	0	0	107.3	I247 L254 I256 H270 T275 L278 F285 K300 L301 F303	I247-I287 HydrophobicContact CD1-CD1 4.49Å; L254-I287 HydrophobicContact CD1-CD1 4Å; L254-I287 HydrophobicContact CD1-CG1 4.31Å; I256-I287 HydrophobicContact CD1-CD1 4Å; I256-I287 HydrophobicContact CG1-CD1 4.45Å; H270-I287 HydrophobicContact CB-CG2 4.26Å; T275-I287 HydrophobicContact CG2-CG2 4.44Å; L278-I287 HydrophobicContact CD2-CB 4.29Å; L278-I287 HydrophobicContact CD2-CG1 4.07Å; L278-I287 HydrophobicContact CD2-CG2 4.06Å; F285-I287 HydrophobicContact CD1-CG1 4.19Å; F285-I287 HydrophobicContact CE1-CD1 3.95Å; F285-I287 HydrophobicContact CE1-CG1 3.48Å; F285-I287 VanDerWaalsContact CE1-CG1 3.48Å; F285-I287 HydrophobicContact CZ-CG1 4.22Å; I287-K300 WeakPolarHBondContact O-CA 3.49Å; I287-L301 HydrophobicContact CB-CB 4.4Å; I287-L301 PolarHBondContact N-O 2.71Å; I287-L301 PolarHBondContact O-N 2.78Å; I287-F303 HydrophobicContact CD1-CD2 4.44Å; I287-F303 HydrophobicContact CD1-CE2 4.09Å
288	V	90.2	Very high	80.9	Confident	13 Å²	13	62.2 Å²	62.2	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.7	174.5	-175.3	0	0	0	0	108.5	Q276 T277 L298 N299 K300	Q276-V288 PolarHBondContact N-O 3.37Å; T277-V288 HydrophobicContact CG2-CB 3.57Å; T277-V288 HydrophobicContact CG2-CG1 4.17Å; T277-V288 HydrophobicContact CG2-CG2 3.73Å; T277-V288 PolarHBondContact N-O 2.99Å; T277-V288 PolarHBondContact O-N 3.04Å; V288-L298 HydrophobicContact CG1-CB 4.15Å; V288-L298 HydrophobicContact CG1-CD1 4.05Å; V288-L298 HydrophobicContact CG1-CG 4.48Å; V288-N299 WeakPolarHBondContact CA-O 3.45Å; V288-K300 HydrophobicContact CG2-CB 4.31Å; V288-K300 HydrophobicContact CG2-CD 4.44Å; V288-K300 HydrophobicContact CG2-CG 4.05Å
289	A	86.9	Confident	80.8	Confident	8 Å²	8	65.4 Å²	65.4	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.7	-177.2	0	0	0	0	0	111.7	L274 L298 N299	L274-A289 CarbonylContact O-C 3.6Å; L274-A289 VanDerWaalsContact O-CA 3.3Å; L274-A289 WeakPolarHBondContact O-CA 3.48Å; A289-L298 CarbonylContact O-C 3.18Å; A289-L298 WeakPolarHBondContact O-CA 3.2Å; A289-N299 PolarHBondContact N-O 2.81Å; A289-N299 PolarHBondContact O-N 2.9Å
290	R	82	Confident	80.9	Confident	79 Å²	79	69.4 Å²	69.4	30%	0.298	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.9	170.4	-68.5	-176.6	179.5	-179.4	0.1	110.1	L274 Q276 S292 L298 L407	L274-R290 HydrophobicContact CD2-CB 4.44Å; L274-R290 PolarHBondContact O-N 3.04Å; Q276-R290 HydrophobicContact CG-CG 4.08Å; R290-S292 VanDerWaalsContact C-N 3.32Å; R290-S292 WeakPolarHBondContact CB-O 3.44Å; R290-S292 PolarHBondContact O-N 2.76Å; R290-L298 HydrophobicContact CG-CD2 3.82Å; R290-L407 VanDerWaalsContact NH2-CD1 3.26Å
291	K	75.4	Confident	81	Confident	148 Å²	148	70.6 Å²	70.6	64%	0.643	36%	0.355	S	S	*	.	S	Bend	trans	-66.5	-32.1	174.6	-70.9	-170.4	176	-175.1	0	113.2	T297 N299	K291-T297 PolarHBondContact N-O 3.47Å; K291-N299 HydrophobicContact CG-CB 4.12Å
292	S	66.6	Low	81.2	Confident	48 Å²	48	70 Å²	70	34%	0.336	35%	0.354	S	S	.	.	S	Bend	trans	-147.5	159.5	178	170.6	0	0	0	0	109.5	R290 N294 G295	R290-S292 VanDerWaalsContact C-N 3.32Å; R290-S292 WeakPolarHBondContact CB-O 3.44Å; R290-S292 PolarHBondContact O-N 2.76Å; S292-N294 PolarHBondContact O-N 3.38Å; S292-G295 PolarHBondContact O-N 3.02Å
293	Q	61.6	Low	81.4	Confident	101 Å²	101	65.8 Å²	65.8	47%	0.472	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.6	-178.9	-71.6	-174.9	-11	0	0	112.5	H273 L274	H273-Q293 PolarHBondContact NE2-NE2 3.01Å; L274-Q293 HydrophobicContact CD2-CB 4.45Å; L274-Q293 HydrophobicContact CD2-CG 3.77Å
294	N	60.9	Low	81.5	Confident	151 Å²	151	64.4 Å²	64.4	81%	0.807	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-4.4	179.5	-64	-17.5	0	0	0	113.2	S292	S292-N294 PolarHBondContact O-N 3.38Å
295	G	60.9	Low	81.6	Confident	17 Å²	17	60.2 Å²	60.2	18%	0.175	31%	0.31	C	S	.	.			trans	-76.8	128.9	-176.8	0	0	0	0	0	112.3	S292 T297	S292-G295 PolarHBondContact O-N 3.02Å; G295-T297 VanDerWaalsContact C-N 3.27Å
296	L	65.7	Low	81.2	Confident	171 Å²	171	61.9 Å²	61.9	90%	0.895	32%	0.319	S	S	*	.			trans	-74.5	-19.4	167.8	-72.7	161.8	0	0	0	112.2	L298	L296-L298 PolarHBondContact O-N 2.81Å
297	T	74.9	Confident	81	Confident	85 Å²	85	62.3 Å²	62.3	52%	0.521	33%	0.325	S	S	.	.			trans	-72.3	118.9	-178.9	51.6	0	0	0	0	111.6	K291 G295	K291-T297 PolarHBondContact N-O 3.47Å; G295-T297 VanDerWaalsContact C-N 3.27Å
298	L	80	Confident	80.8	Confident	98 Å²	98	66.2 Å²	66.2	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.4	172.1	-59.6	178.7	0	0	0	110.3	Q276 V288 A289 R290 L296	Q276-L298 HydrophobicContact CG-CD2 3.76Å; V288-L298 HydrophobicContact CG1-CB 4.15Å; V288-L298 HydrophobicContact CG1-CD1 4.05Å; V288-L298 HydrophobicContact CG1-CG 4.48Å; A289-L298 CarbonylContact O-C 3.18Å; A289-L298 WeakPolarHBondContact O-CA 3.2Å; R290-L298 HydrophobicContact CG-CD2 3.82Å; L296-L298 PolarHBondContact O-N 2.81Å
299	N	85.5	Confident	80.7	Confident	66 Å²	66	73 Å²	73	35%	0.353	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.3	166.5	-171.6	10.2	0	0	0	108.3	V288 A289 K291	V288-N299 WeakPolarHBondContact CA-O 3.45Å; A289-N299 PolarHBondContact N-O 2.81Å; A289-N299 PolarHBondContact O-N 2.9Å; K291-N299 HydrophobicContact CG-CB 4.12Å
300	K	88.9	Confident	81	Confident	104 Å²	104	73 Å²	73	45%	0.452	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108.6	175.9	178.1	175.2	178.7	-179	0	108.2	Y286 I287 V288	Y286-K300 HydrophobicContact CD1-CD 4.41Å; Y286-K300 HydrophobicContact CD1-CG 4.44Å; I287-K300 WeakPolarHBondContact O-CA 3.49Å; V288-K300 HydrophobicContact CG2-CB 4.31Å; V288-K300 HydrophobicContact CG2-CD 4.44Å; V288-K300 HydrophobicContact CG2-CG 4.05Å
301	L	91.7	Very high	81.4	Confident	42 Å²	42	69.2 Å²	69.2	22%	0.22	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.6	171.6	-59.3	-179.5	0	0	0	109.6	H270 Y286 I287 F303	H270-L301 WeakPolarHBondContact CE1-CD1 3.4Å; H270-L301 WeakPolarHBondContact NE2-CD1 3.17Å; Y286-L301 CarbonylContact C-O 3.56Å; Y286-L301 VanDerWaalsContact CA-O 3.29Å; Y286-L301 WeakPolarHBondContact CA-O 3.36Å; I287-L301 HydrophobicContact CB-CB 4.4Å; I287-L301 PolarHBondContact N-O 2.71Å; I287-L301 PolarHBondContact O-N 2.78Å; L301-F303 HydrophobicContact CB-CD2 4.38Å; L301-F303 HydrophobicContact CB-CE2 3.65Å; L301-F303 HydrophobicContact CB-CZ 4.21Å; L301-F303 HydrophobicContact CD1-CE2 4.2Å; L301-F303 HydrophobicContact CD1-CZ 4.3Å
302	T	92	Very high	82.1	Confident	60 Å²	60	63.3 Å²	63.3	37%	0.368	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.2	177.6	-63	0	0	0	0	109.7	Y286 F304	Y286-T302 HydrophobicContact CD1-CG2 4.03Å; Y286-T302 VanDerWaalsContact CD1-OG1 3.22Å; Y286-T302 WeakPolarHBondContact CD1-OG1 3.37Å; Y286-T302 HydrophobicContact CE1-CG2 3.73Å; Y286-T302 WeakPolarHBondContact CE1-OG1 3.26Å; T302-F304 HydrophobicContact CG2-CE2 4.33Å
303	F	93.2	Very high	83.5	Confident	21 Å²	21	62.5 Å²	62.5	9%	0.092	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	172.8	175.8	-60.6	-77.6	0	0	0	110	L222 Y223 L245 I256 K284 F285 I287 L301	L222-F303 HydrophobicContact CD1-CB 3.62Å; L222-F303 HydrophobicContact CD1-CG 4.4Å; L222-F303 HydrophobicContact CD2-CB 3.44Å; L222-F303 VanDerWaalsContact CD2-CB 3.44Å; L222-F303 HydrophobicContact CD2-CD1 3.44Å; L222-F303 VanDerWaalsContact CD2-CD1 3.44Å; L222-F303 HydrophobicContact CD2-CD2 3.77Å; L222-F303 HydrophobicContact CD2-CE1 4.07Å; L222-F303 HydrophobicContact CD2-CE2 4.35Å; L222-F303 HydrophobicContact CD2-CG 3.27Å; L222-F303 HydrophobicContact CD2-CZ 4.49Å; L222-F303 HydrophobicContact CG-CB 3.55Å; L222-F303 HydrophobicContact CG-CD1 4.12Å; L222-F303 HydrophobicContact CG-CG 3.95Å; Y223-F303 CarbonylContact O-C 3.6Å; Y223-F303 WeakPolarHBondContact O-CA 3.19Å; L245-F303 HydrophobicContact CD2-CD1 3.78Å; L245-F303 HydrophobicContact CD2-CE1 3.87Å; I256-F303 HydrophobicContact CB-CZ 4.48Å; I256-F303 HydrophobicContact CD1-CD2 4.5Å; I256-F303 HydrophobicContact CD1-CE2 3.92Å; I256-F303 HydrophobicContact CD1-CZ 4.03Å; I256-F303 HydrophobicContact CG1-CE2 3.99Å; I256-F303 HydrophobicContact CG1-CZ 3.77Å; I256-F303 HydrophobicContact CG2-CE1 4.16Å; I256-F303 HydrophobicContact CG2-CZ 4.07Å; K284-F303 CarbonylContact C-O 3.59Å; K284-F303 WeakPolarHBondContact CA-O 3.49Å; F285-F303 PolarHBondContact N-O 3.14Å; F285-F303 PolarHBondContact O-N 3.33Å; I287-F303 HydrophobicContact CD1-CD2 4.44Å; I287-F303 HydrophobicContact CD1-CE2 4.09Å; L301-F303 HydrophobicContact CB-CD2 4.38Å; L301-F303 HydrophobicContact CB-CE2 3.65Å; L301-F303 HydrophobicContact CB-CZ 4.21Å; L301-F303 HydrophobicContact CD1-CE2 4.2Å; L301-F303 HydrophobicContact CD1-CZ 4.3Å
304	F	91.1	Very high	85	Confident	30 Å²	30	57.7 Å²	57.7	13%	0.132	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.2	-178.2	-63.3	-101.5	0	0	0	111.5	L222 Y223 R224 T225 K226 K283 K284 T302	L222-F304 WeakPolarHBondContact CD1-O 3.16Å; Y223-F304 PolarHBondContact N-O 3.33Å; Y223-F304 PolarHBondContact O-N 2.9Å; R224-F304 WeakPolarHBondContact O-CD2 3.3Å; R224-F304 WeakPolarHBondContact O-CE2 3.43Å; T225-F304 VanDerWaalsContact C-CD2 3.46Å; K226-F304 HydrophobicContact CB-CD1 3.74Å; K226-F304 HydrophobicContact CB-CE1 3.75Å; K226-F304 HydrophobicContact CB-CG 4.41Å; K226-F304 HydrophobicContact CB-CZ 4.47Å; K226-F304 HydrophobicContact CG-CD1 4.32Å; K283-F304 CarbonylContact O-C 3.51Å; K283-F304 VanDerWaalsContact O-CA 3.23Å; K283-F304 WeakPolarHBondContact O-CA 3.33Å; K284-F304 HydrophobicContact CD-CE1 4.07Å; K284-F304 HydrophobicContact CD-CZ 4.45Å; K284-F304 HydrophobicContact CG-CD1 3.75Å; K284-F304 HydrophobicContact CG-CE1 3.38Å; K284-F304 HydrophobicContact CG-CZ 4.03Å; T302-F304 HydrophobicContact CG2-CE2 4.33Å
305	T	90.9	Very high	86.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.			trans	-116.6	165.3	172.3	63.2	0	0	0	0	111.1	L222 K283 S307 K310 S311 F314	L222-T305 HydrophobicContact CD1-CG2 4.16Å; K283-T305 WeakPolarHBondContact CB-O 3.39Å; K283-T305 PolarHBondContact O-N 3.34Å; K283-T305 PolarHBondContact O-OG1 3.45Å; T305-S307 PolarHBondContact O-N 3.28Å; T305-S307 PolarHBondContact OG1-O 3.08Å; T305-K310 HydrophobicContact CG2-CB 4.45Å; T305-K310 HydrophobicContact CG2-CG 4.27Å; T305-S311 WeakPolarHBondContact CG2-OG 3.28Å; T305-S311 PolarHBondContact OG1-N 3.25Å; T305-S311 PolarHBondContact OG1-OG 3.3Å; T305-F314 HydrophobicContact CG2-CD2 3.84Å; T305-F314 HydrophobicContact CG2-CE2 3.48Å; T305-F314 VanDerWaalsContact CG2-CE2 3.48Å; T305-F314 HydrophobicContact CG2-CZ 4.3Å
306	D	83.3	Confident	87.9	Confident	36 Å²	36	53 Å²	53	19%	0.193	26%	0.264	C	S	.	.	S	Bend	trans	-64.3	-28.4	176.4	67.2	-14.2	0	0	0	113.1	K63 Y223 K283 K310	K63-D306 IonicContact NZ-OD2 2.86Å; K63-D306 PolarHBondContact NZ-OD2 2.74Å; Y223-D306 HydrophobicContact CE2-CB 4.47Å; K283-D306 WeakPolarHBondContact CE-O 3.44Å; K283-D306 PolarHBondContact NZ-O 3.39Å; D306-K310 VanDerWaalsContact OD1-CB 3.3Å; D306-K310 WeakPolarHBondContact OD1-CB 3.27Å; D306-K310 WeakPolarHBondContact OD1-CD 3.49Å
307	S	86	Confident	89.4	Confident	30 Å²	30	44.9 Å²	44.9	21%	0.21	22%	0.222	C	C	.	.	S	Bend	trans	-152.7	153.4	-170.7	64.5	0	0	0	0	111.7	T305 R309 K310 S311	T305-S307 PolarHBondContact O-N 3.28Å; T305-S307 PolarHBondContact OG1-O 3.08Å; S307-R309 PolarHBondContact O-N 3.14Å; S307-K310 PolarHBondContact O-N 3.29Å; S307-K310 WeakPolarHBondContact OG-CB 3.34Å; S307-K310 PolarHBondContact OG-N 3.23Å; S307-S311 PolarHBondContact O-N 3.15Å
308	Y	88.1	Confident	90.3	Very high	83 Å²	83	40.8 Å²	40.8	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-30.8	174.8	83	-85.4	0	0	0	112.4	H282 K310 S311 S312	H282-Y308 VanDerWaalsContact O-CA 3.22Å; H282-Y308 WeakPolarHBondContact O-CA 3.45Å; H282-Y308 WeakPolarHBondContact O-CB 3.24Å; Y308-K310 VanDerWaalsContact C-N 3.31Å; Y308-K310 PolarHBondContact O-N 2.62Å; Y308-S311 PolarHBondContact O-N 3.43Å; Y308-S312 WeakPolarHBondContact O-CB 3.46Å; Y308-S312 PolarHBondContact O-N 3.2Å
309	R	89.3	Confident	90.7	Very high	154 Å²	154	37 Å²	37	58%	0.581	18%	0.18	S	C	*	.	H	α-helix	trans	-61.7	-39.8	175.8	-63.8	-174	-173.9	170.1	4	111.4	S307 Y313	S307-R309 PolarHBondContact O-N 3.14Å; R309-Y313 VanDerWaalsContact O-CB 3.25Å; R309-Y313 WeakPolarHBondContact O-CB 3.34Å; R309-Y313 PolarHBondContact O-N 2.84Å
310	K	92.1	Very high	91	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-43.2	176.1	-168.3	173	-165.8	-174.8	0	111.8	E66 F68 R221 T305 D306 S307 Y308 S312 Y313 F314	E66-K310 IonicContact OE1-NZ 3.64Å; E66-K310 PolarHBondContact OE1-NZ 3.41Å; E66-K310 WeakPolarHBondContact OE2-CE 3.17Å; E66-K310 IonicContact OE2-NZ 2.68Å; E66-K310 PolarHBondContact OE2-NZ 2.89Å; F68-K310 HydrophobicContact CE1-CG 4.24Å; F68-K310 HydrophobicContact CZ-CD 4.41Å; F68-K310 HydrophobicContact CZ-CG 4.45Å; R221-K310 WeakPolarHBondContact O-CE 3.46Å; R221-K310 PolarHBondContact O-NZ 3Å; T305-K310 HydrophobicContact CG2-CB 4.45Å; T305-K310 HydrophobicContact CG2-CG 4.27Å; D306-K310 VanDerWaalsContact OD1-CB 3.3Å; D306-K310 WeakPolarHBondContact OD1-CB 3.27Å; D306-K310 WeakPolarHBondContact OD1-CD 3.49Å; S307-K310 PolarHBondContact O-N 3.29Å; S307-K310 WeakPolarHBondContact OG-CB 3.34Å; S307-K310 PolarHBondContact OG-N 3.23Å; Y308-K310 VanDerWaalsContact C-N 3.31Å; Y308-K310 PolarHBondContact O-N 2.62Å; K310-S312 PolarHBondContact O-N 2.99Å; K310-Y313 WeakPolarHBondContact O-CB 3.48Å; K310-Y313 PolarHBondContact O-N 3.1Å; K310-F314 HydrophobicContact CD-CE1 4.36Å; K310-F314 HydrophobicContact CD-CZ 4.05Å; K310-F314 HydrophobicContact CG-CD1 4.35Å; K310-F314 HydrophobicContact CG-CE1 3.72Å; K310-F314 HydrophobicContact CG-CE2 4.33Å; K310-F314 HydrophobicContact CG-CZ 3.74Å; K310-F314 WeakPolarHBondContact O-CD1 3.38Å; K310-F314 WeakPolarHBondContact O-CG 3.47Å; K310-F314 PolarHBondContact O-N 2.91Å
311	S	91.6	Very high	91.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.1	-47.8	172.9	-83.9	0	0	0	0	112.4	H282 T305 S307 Y308 Y313 F314 V315	H282-S311 WeakPolarHBondContact O-CB 3.28Å; T305-S311 WeakPolarHBondContact CG2-OG 3.28Å; T305-S311 PolarHBondContact OG1-N 3.25Å; T305-S311 PolarHBondContact OG1-OG 3.3Å; S307-S311 PolarHBondContact O-N 3.15Å; Y308-S311 PolarHBondContact O-N 3.43Å; S311-Y313 VanDerWaalsContact C-N 3.35Å; S311-Y313 PolarHBondContact O-N 3.07Å; S311-F314 PolarHBondContact O-N 3.49Å; S311-V315 PolarHBondContact O-N 2.71Å
312	S	90.5	Very high	91	Very high	24 Å²	24	28.2 Å²	28.2	17%	0.168	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-41.9	175.1	-178.1	0	0	0	0	112.1	Y308 K310 F314 V315 N316	Y308-S312 WeakPolarHBondContact O-CB 3.46Å; Y308-S312 PolarHBondContact O-N 3.2Å; K310-S312 PolarHBondContact O-N 2.99Å; S312-F314 PolarHBondContact O-N 3.16Å; S312-V315 PolarHBondContact O-N 2.79Å; S312-N316 PolarHBondContact O-N 3.45Å; S312-N316 VanDerWaalsContact O-N 3.08Å; S312-N316 PolarHBondContact O-ND2 3.29Å; S312-N316 PolarHBondContact OG-ND2 2.82Å
313	Y	94.3	Very high	90.8	Very high	30 Å²	30	33.1 Å²	33.1	12%	0.118	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.3	175.4	-101.2	0	0	0	112	F68 F69 Y220 R309 K310 S311 V315 N316 F317	F68-Y313 AromaticContact CD1-CD1 3.5Å; F68-Y313 HydrophobicContact CD1-CD1 3.5Å; F68-Y313 VanDerWaalsContact CD1-CD1 3.5Å; F68-Y313 HydrophobicContact CD1-CD2 4.28Å; F68-Y313 AromaticContact CD1-CE1 3.51Å; F68-Y313 HydrophobicContact CD1-CE1 3.51Å; F68-Y313 HydrophobicContact CD1-CE2 4.31Å; F68-Y313 AromaticContact CD1-CG 3.9Å; F68-Y313 HydrophobicContact CD1-CG 3.9Å; F68-Y313 AromaticContact CD1-CZ 3.94Å; F68-Y313 AromaticContact CE1-CD1 3.72Å; F68-Y313 HydrophobicContact CE1-CD1 3.72Å; F68-Y313 HydrophobicContact CE1-CE1 4Å; F68-Y313 HydrophobicContact CE1-CG 4.33Å; F68-Y313 HydrophobicContact CG-CE1 4.48Å; F69-Y313 PolarHBondContact N-OH 3.25Å; F69-Y313 WeakPolarHBondContact O-CE2 3.3Å; Y220-Y313 HydrophobicContact CD1-CE1 4.49Å; Y220-Y313 AromaticContact CE1-CE1 3.78Å; Y220-Y313 HydrophobicContact CE1-CE1 3.78Å; Y220-Y313 HydrophobicContact CE2-CE1 4.17Å; Y220-Y313 AromaticContact CZ-CE1 3.62Å; Y220-Y313 PolarHBondContact OH-OH 3.1Å; Y220-Y313 VanDerWaalsContact OH-OH 3.07Å; R309-Y313 VanDerWaalsContact O-CB 3.25Å; R309-Y313 WeakPolarHBondContact O-CB 3.34Å; R309-Y313 PolarHBondContact O-N 2.84Å; K310-Y313 WeakPolarHBondContact O-CB 3.48Å; K310-Y313 PolarHBondContact O-N 3.1Å; S311-Y313 VanDerWaalsContact C-N 3.35Å; S311-Y313 PolarHBondContact O-N 3.07Å; Y313-V315 VanDerWaalsContact C-N 3.34Å; Y313-V315 PolarHBondContact O-N 3.01Å; Y313-N316 PolarHBondContact O-N 2.92Å; Y313-F317 HydrophobicContact CE1-CB 4.19Å; Y313-F317 HydrophobicContact CE1-CD1 4.41Å; Y313-F317 HydrophobicContact CE1-CG 4.34Å; Y313-F317 HydrophobicContact CE2-CB 4.2Å; Y313-F317 HydrophobicContact CE2-CG 4.49Å; Y313-F317 AromaticContact CZ-CG 3.94Å; Y313-F317 VanDerWaalsContact O-CB 3.24Å; Y313-F317 WeakPolarHBondContact O-CB 3.49Å; Y313-F317 PolarHBondContact O-N 3.41Å
314	F	95	Very high	90.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-47.3	178.5	-71.2	-7.2	0	0	0	112.3	Y220 L222 I247 I249 F285 T305 K310 S311 S312 A318	Y220-F314 VanDerWaalsContact CB-CZ 3.45Å; Y220-F314 HydrophobicContact CD1-CE1 4.1Å; Y220-F314 AromaticContact CD2-CE1 3.97Å; Y220-F314 HydrophobicContact CD2-CE1 3.97Å; Y220-F314 HydrophobicContact CG-CD1 4.45Å; Y220-F314 AromaticContact CG-CE1 3.54Å; Y220-F314 HydrophobicContact CG-CE1 3.54Å; Y220-F314 HydrophobicContact CG-CZ 4.16Å; L222-F314 HydrophobicContact CD1-CD2 4.47Å; L222-F314 HydrophobicContact CD1-CE2 3.81Å; I247-F314 HydrophobicContact CG2-CD2 4.23Å; I247-F314 HydrophobicContact CG2-CE1 4.25Å; I247-F314 HydrophobicContact CG2-CE2 3.67Å; I247-F314 HydrophobicContact CG2-CZ 3.66Å; I249-F314 HydrophobicContact CD1-CB 4.45Å; I249-F314 HydrophobicContact CD1-CD1 4.21Å; I249-F314 HydrophobicContact CD1-CG 4.49Å; F285-F314 HydrophobicContact CD2-CB 4.14Å; F285-F314 HydrophobicContact CD2-CD2 4.39Å; F285-F314 HydrophobicContact CE2-CB 3.74Å; F285-F314 HydrophobicContact CG-CD2 4.43Å; F285-F314 HydrophobicContact CZ-CB 4.22Å; T305-F314 HydrophobicContact CG2-CD2 3.84Å; T305-F314 HydrophobicContact CG2-CE2 3.48Å; T305-F314 VanDerWaalsContact CG2-CE2 3.48Å; T305-F314 HydrophobicContact CG2-CZ 4.3Å; K310-F314 HydrophobicContact CD-CE1 4.36Å; K310-F314 HydrophobicContact CD-CZ 4.05Å; K310-F314 HydrophobicContact CG-CD1 4.35Å; K310-F314 HydrophobicContact CG-CE1 3.72Å; K310-F314 HydrophobicContact CG-CE2 4.33Å; K310-F314 HydrophobicContact CG-CZ 3.74Å; K310-F314 WeakPolarHBondContact O-CD1 3.38Å; K310-F314 WeakPolarHBondContact O-CG 3.47Å; K310-F314 PolarHBondContact O-N 2.91Å; S311-F314 PolarHBondContact O-N 3.49Å; S312-F314 PolarHBondContact O-N 3.16Å; F314-A318 WeakPolarHBondContact O-CB 3.11Å; F314-A318 PolarHBondContact O-N 3.08Å
315	V	91.3	Very high	90.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-48.9	178.1	171.5	0	0	0	0	111.4	L278 F280 F285 S311 S312 Y313 A319 V411	L278-V315 HydrophobicContact CB-CG2 4.25Å; F280-V315 HydrophobicContact CB-CG2 4.5Å; F280-V315 HydrophobicContact CD1-CB 4.46Å; F280-V315 HydrophobicContact CD1-CG2 3.86Å; F285-V315 HydrophobicContact CD2-CG2 4.03Å; F285-V315 HydrophobicContact CE2-CG2 3.61Å; S311-V315 PolarHBondContact O-N 2.71Å; S312-V315 PolarHBondContact O-N 2.79Å; Y313-V315 VanDerWaalsContact C-N 3.34Å; Y313-V315 PolarHBondContact O-N 3.01Å; V315-A319 WeakPolarHBondContact O-CB 3.33Å; V315-A319 PolarHBondContact O-N 3.43Å; V315-V411 HydrophobicContact CG1-CB 4.18Å; V315-V411 HydrophobicContact CG1-CG1 3.17Å; V315-V411 HydrophobicContact CG1-CG2 4.04Å
316	N	91.5	Very high	89.5	Confident	67 Å²	67	34.1 Å²	34.1	36%	0.358	16%	0.157	S	C	.	.	H	α-helix	trans	-65.5	-42.2	-178.4	-73.4	-44.3	0	0	0	112.4	S312 Y313 A319 A320	S312-N316 PolarHBondContact O-N 3.45Å; S312-N316 VanDerWaalsContact O-N 3.08Å; S312-N316 PolarHBondContact O-ND2 3.29Å; S312-N316 PolarHBondContact OG-ND2 2.82Å; Y313-N316 PolarHBondContact O-N 2.92Å; N316-A319 PolarHBondContact O-N 2.85Å; N316-A320 PolarHBondContact O-N 2.67Å
317	F	95.6	Very high	89.3	Confident	1 Å²	1	37 Å²	37	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-42.1	-179.4	-171.8	-120.9	0	0	0	111.7	F69 K103 H218 Y220 I249 Y313 A319 A320 Q321	F69-F317 HydrophobicContact CB-CD2 4.45Å; F69-F317 HydrophobicContact CB-CE2 4.14Å; F69-F317 HydrophobicContact CD2-CD2 4.43Å; F69-F317 AromaticContact CD2-CE2 3.5Å; F69-F317 HydrophobicContact CD2-CE2 3.5Å; F69-F317 AromaticContact CD2-CZ 3.58Å; F69-F317 HydrophobicContact CD2-CZ 3.58Å; F69-F317 HydrophobicContact CE2-CE2 4.2Å; F69-F317 AromaticContact CE2-CZ 3.91Å; F69-F317 HydrophobicContact CE2-CZ 3.91Å; F69-F317 AromaticContact CG-CE2 3.96Å; F69-F317 HydrophobicContact CG-CE2 3.96Å; F69-F317 HydrophobicContact CG-CZ 4.46Å; K103-F317 HydrophobicContact CG-CE2 4.12Å; H218-F317 HydrophobicContact CB-CE1 3.79Å; H218-F317 HydrophobicContact CB-CZ 4.33Å; H218-F317 AromaticContact CD2-CE1 3.83Å; H218-F317 AromaticContact CD2-CZ 3.69Å; H218-F317 AromaticContact CG-CE1 3.79Å; H218-F317 AromaticContact CG-CZ 3.83Å; H218-F317 AromaticContact NE2-CZ 3.94Å; Y220-F317 HydrophobicContact CE2-CD1 4.21Å; Y220-F317 HydrophobicContact CE2-CE1 4.15Å; I249-F317 HydrophobicContact CB-CD1 4.13Å; I249-F317 HydrophobicContact CB-CE1 4.25Å; I249-F317 HydrophobicContact CD1-CD1 3.97Å; I249-F317 HydrophobicContact CG2-CD1 3.91Å; I249-F317 HydrophobicContact CG2-CE1 4.25Å; Y313-F317 HydrophobicContact CE1-CB 4.19Å; Y313-F317 HydrophobicContact CE1-CD1 4.41Å; Y313-F317 HydrophobicContact CE1-CG 4.34Å; Y313-F317 HydrophobicContact CE2-CB 4.2Å; Y313-F317 HydrophobicContact CE2-CG 4.49Å; Y313-F317 AromaticContact CZ-CG 3.94Å; Y313-F317 VanDerWaalsContact O-CB 3.24Å; Y313-F317 WeakPolarHBondContact O-CB 3.49Å; Y313-F317 PolarHBondContact O-N 3.41Å; F317-A319 VanDerWaalsContact C-N 3.32Å; F317-A319 PolarHBondContact O-N 2.77Å; F317-A320 WeakPolarHBondContact O-CB 3.25Å; F317-A320 PolarHBondContact O-N 3.4Å; F317-A320 VanDerWaalsContact O-N 3.08Å; F317-Q321 HydrophobicContact CE1-CG 4.32Å; F317-Q321 HydrophobicContact CZ-CG 4.37Å; F317-Q321 WeakPolarHBondContact O-CG 3.42Å; F317-Q321 PolarHBondContact O-N 3.32Å
318	A	93.9	Very high	88.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-43.9	171.2	0	0	0	0	0	111.8	I249 L254 W272 L278 F314 A320 Q321 H322	I249-A318 HydrophobicContact CG2-CB 4.16Å; L254-A318 HydrophobicContact CD2-CB 4.15Å; W272-A318 HydrophobicContact CH2-CB 3.79Å; W272-A318 WeakPolarHBondContact CH2-O 3.4Å; W272-A318 HydrophobicContact CZ3-CB 4.33Å; L278-A318 HydrophobicContact CD1-CB 3.3Å; F314-A318 WeakPolarHBondContact O-CB 3.11Å; F314-A318 PolarHBondContact O-N 3.08Å; A318-A320 VanDerWaalsContact C-N 3.3Å; A318-A320 PolarHBondContact O-N 2.99Å; A318-Q321 PolarHBondContact O-N 3.39Å; A318-H322 WeakPolarHBondContact O-CB 3.36Å; A318-H322 PolarHBondContact O-N 3.47Å
319	A	89.5	Confident	88	Confident	18 Å²	18	37.8 Å²	37.8	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-34.2	174.7	0	0	0	0	0	112.7	V315 N316 F317 R323 V411	V315-A319 WeakPolarHBondContact O-CB 3.33Å; V315-A319 PolarHBondContact O-N 3.43Å; N316-A319 PolarHBondContact O-N 2.85Å; F317-A319 VanDerWaalsContact C-N 3.32Å; F317-A319 PolarHBondContact O-N 2.77Å; A319-R323 WeakPolarHBondContact O-CB 3.42Å; A319-R323 VanDerWaalsContact O-CG 3.28Å; A319-R323 WeakPolarHBondContact O-CG 3.48Å; A319-R323 PolarHBondContact O-N 2.81Å; A319-R323 PolarHBondContact O-NE 2.85Å; A319-V411 HydrophobicContact CB-CG2 4.14Å
320	A	91.4	Very high	87.3	Confident	7 Å²	7	34.5 Å²	34.5	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-45.7	173.5	0	0	0	0	0	112	F104 N316 F317 A318 R323 F324	F104-A320 HydrophobicContact CE1-CB 4.48Å; F104-A320 HydrophobicContact CZ-CB 4.41Å; N316-A320 PolarHBondContact O-N 2.67Å; F317-A320 WeakPolarHBondContact O-CB 3.25Å; F317-A320 PolarHBondContact O-N 3.4Å; F317-A320 VanDerWaalsContact O-N 3.08Å; A318-A320 VanDerWaalsContact C-N 3.3Å; A318-A320 PolarHBondContact O-N 2.99Å; A320-R323 PolarHBondContact O-N 3.1Å; A320-F324 PolarHBondContact O-N 3.12Å
321	Q	93	Very high	86.4	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.1	-64.6	-66.9	-29.1	0	0	111.5	K103 I249 N251 W272 F317 A318 F324 C325	K103-Q321 PolarHBondContact O-NE2 2.91Å; I249-Q321 HydrophobicContact CG2-CB 4.49Å; I249-Q321 HydrophobicContact CG2-CG 3.92Å; N251-Q321 PolarHBondContact OD1-OE1 2.73Å; W272-Q321 HydrophobicContact CZ2-CB 4.04Å; F317-Q321 HydrophobicContact CE1-CG 4.32Å; F317-Q321 HydrophobicContact CZ-CG 4.37Å; F317-Q321 WeakPolarHBondContact O-CG 3.42Å; F317-Q321 PolarHBondContact O-N 3.32Å; A318-Q321 PolarHBondContact O-N 3.39Å; Q321-F324 PolarHBondContact O-N 3.14Å; Q321-C325 WeakPolarHBondContact O-CB 3.44Å; Q321-C325 PolarHBondContact O-N 2.91Å
322	H	87.7	Confident	85.4	Confident	20 Å²	20	38.5 Å²	38.5	9%	0.093	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-45.6	175.6	-178.3	-123.9	0	0	0	112.4	W272 A318 F324 C325 M326	W272-H322 AromaticContact CD1-CD2 3.93Å; W272-H322 HydrophobicContact CD2-CB 3.96Å; W272-H322 AromaticContact CD2-CD2 3.75Å; W272-H322 HydrophobicContact CE3-CB 4.14Å; W272-H322 HydrophobicContact CG-CB 4.48Å; W272-H322 AromaticContact CG-CD2 3.45Å; W272-H322 VanDerWaalsContact CG-CD2 3.45Å; W272-H322 HydrophobicContact CZ2-CB 4.3Å; W272-H322 HydrophobicContact CZ3-CB 4.41Å; A318-H322 WeakPolarHBondContact O-CB 3.36Å; A318-H322 PolarHBondContact O-N 3.47Å; H322-F324 VanDerWaalsContact C-N 3.31Å; H322-F324 PolarHBondContact O-N 2.83Å; H322-C325 WeakPolarHBondContact O-CB 3.36Å; H322-C325 PolarHBondContact O-N 3.42Å; H322-M326 WeakPolarHBondContact NE2-CE 3.43Å; H322-M326 WeakPolarHBondContact O-CG 3.23Å; H322-M326 PolarHBondContact O-N 2.91Å
323	R	87.3	Confident	84.3	Confident	164 Å²	164	41.2 Å²	41.2	62%	0.619	21%	0.206	S	C	*	.	H	α-helix	trans	-60	-41.1	175.3	-78.7	-177.1	-73.1	173.8	-1.7	112	A319 A320 M326 K327	A319-R323 WeakPolarHBondContact O-CB 3.42Å; A319-R323 VanDerWaalsContact O-CG 3.28Å; A319-R323 WeakPolarHBondContact O-CG 3.48Å; A319-R323 PolarHBondContact O-N 2.81Å; A319-R323 PolarHBondContact O-NE 2.85Å; A320-R323 PolarHBondContact O-N 3.1Å; R323-M326 PolarHBondContact O-N 3.13Å; R323-K327 PolarHBondContact O-N 2.99Å
324	F	86.5	Confident	83.1	Confident	11 Å²	11	44.8 Å²	44.8	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-41.2	176.7	-174.8	-94.2	0	0	0	112.2	F56 F104 N251 A320 Q321 H322 M326 K327 M328 W331	F56-F324 AromaticContact CD1-CZ 3.88Å; F56-F324 HydrophobicContact CD1-CZ 3.88Å; F56-F324 AromaticContact CE1-CZ 3.76Å; F56-F324 HydrophobicContact CE1-CZ 3.76Å; F104-F324 HydrophobicContact CB-CD1 3.54Å; F104-F324 HydrophobicContact CB-CD2 3.91Å; F104-F324 HydrophobicContact CB-CE1 3.39Å; F104-F324 HydrophobicContact CB-CE2 3.8Å; F104-F324 HydrophobicContact CB-CG 3.79Å; F104-F324 HydrophobicContact CB-CZ 3.54Å; F104-F324 HydrophobicContact CD1-CB 3.43Å; F104-F324 VanDerWaalsContact CD1-CB 3.43Å; F104-F324 AromaticContact CD1-CD1 3.75Å; F104-F324 HydrophobicContact CD1-CD1 3.75Å; F104-F324 AromaticContact CD1-CD2 3.93Å; F104-F324 HydrophobicContact CD1-CD2 3.93Å; F104-F324 HydrophobicContact CD1-CE1 4.49Å; F104-F324 AromaticContact CD1-CG 3.42Å; F104-F324 HydrophobicContact CD1-CG 3.42Å; F104-F324 VanDerWaalsContact CD1-CG 3.42Å; F104-F324 AromaticContact CD2-CD2 3.67Å; F104-F324 HydrophobicContact CD2-CD2 3.67Å; F104-F324 AromaticContact CD2-CE2 3.96Å; F104-F324 HydrophobicContact CD2-CE2 3.96Å; F104-F324 HydrophobicContact CD2-CG 4.05Å; F104-F324 HydrophobicContact CE1-CB 3.48Å; F104-F324 VanDerWaalsContact CE1-CB 3.48Å; F104-F324 HydrophobicContact CE1-CD2 4.35Å; F104-F324 AromaticContact CE1-CG 3.94Å; F104-F324 HydrophobicContact CE1-CG 3.94Å; F104-F324 HydrophobicContact CE2-CD2 4.09Å; F104-F324 HydrophobicContact CE2-CG 4.48Å; F104-F324 HydrophobicContact CG-CB 4Å; F104-F324 AromaticContact CG-CD1 3.75Å; F104-F324 HydrophobicContact CG-CD1 3.75Å; F104-F324 AromaticContact CG-CD2 3.56Å; F104-F324 HydrophobicContact CG-CD2 3.56Å; F104-F324 HydrophobicContact CG-CE1 4.07Å; F104-F324 AromaticContact CG-CE2 3.91Å; F104-F324 HydrophobicContact CG-CE2 3.91Å; F104-F324 AromaticContact CG-CG 3.48Å; F104-F324 HydrophobicContact CG-CG 3.48Å; F104-F324 VanDerWaalsContact CG-CG 3.48Å; F104-F324 HydrophobicContact CG-CZ 4.15Å; F104-F324 HydrophobicContact CZ-CB 4.08Å; F104-F324 HydrophobicContact CZ-CD2 4.41Å; F104-F324 HydrophobicContact CZ-CG 4.43Å; N251-F324 WeakPolarHBondContact ND2-CD1 3.38Å; N251-F324 WeakPolarHBondContact OD1-CD1 3.41Å; A320-F324 PolarHBondContact O-N 3.12Å; Q321-F324 PolarHBondContact O-N 3.14Å; H322-F324 VanDerWaalsContact C-N 3.31Å; H322-F324 PolarHBondContact O-N 2.83Å; F324-M326 VanDerWaalsContact C-N 3.33Å; F324-M326 PolarHBondContact O-N 2.74Å; F324-K327 CarbonylContact O-C 3.57Å; F324-K327 WeakPolarHBondContact O-CA 3.46Å; F324-K327 WeakPolarHBondContact O-CB 3.4Å; F324-K327 PolarHBondContact O-N 2.97Å; F324-K327 VanDerWaalsContact O-N 3.1Å; F324-M328 HydrophobicContact CD1-CE 3.73Å; F324-M328 HydrophobicContact CD1-CG 4.03Å; F324-M328 HydrophobicContact CD1-SD 4.13Å; F324-M328 HydrophobicContact CE1-CE 3.51Å; F324-M328 HydrophobicContact CE1-CG 3.53Å; F324-M328 HydrophobicContact CE1-SD 3.36Å; F324-M328 WeakPolarHBondContact CE1-SD 3.49Å; F324-M328 HydrophobicContact CZ-CG 3.91Å; F324-M328 HydrophobicContact CZ-SD 4.03Å; F324-M328 PolarHBondContact O-N 2.9Å; F324-W331 HydrophobicContact CE2-CH2 4.26Å; F324-W331 HydrophobicContact CE2-CZ3 4.39Å; F324-W331 HydrophobicContact CZ-CZ3 4.27Å
325	C	82.9	Confident	81.6	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-47.4	172.8	-177.1	0	0	0	0	111.8	N251 Q321 H322 K327 M328 R329	N251-C325 WeakPolarHBondContact O-CB 3.44Å; N251-C325 PolarHBondContact O-SG 3.05Å; Q321-C325 WeakPolarHBondContact O-CB 3.44Å; Q321-C325 PolarHBondContact O-N 2.91Å; H322-C325 WeakPolarHBondContact O-CB 3.36Å; H322-C325 PolarHBondContact O-N 3.42Å; C325-K327 VanDerWaalsContact C-N 3.31Å; C325-K327 PolarHBondContact O-N 3.22Å; C325-M328 PolarHBondContact O-N 3.31Å; C325-R329 WeakPolarHBondContact O-CG 3.21Å; C325-R329 PolarHBondContact O-N 3.02Å; C325-R329 VanDerWaalsContact O-N 3.15Å
326	M	78.6	Confident	80.1	Confident	51 Å²	51	50.3 Å²	50.3	25%	0.251	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175.9	-65.9	-59.2	160.6	0	0	112.3	H322 R323 F324 R329 T330 C406	H322-M326 WeakPolarHBondContact NE2-CE 3.43Å; H322-M326 WeakPolarHBondContact O-CG 3.23Å; H322-M326 PolarHBondContact O-N 2.91Å; R323-M326 PolarHBondContact O-N 3.13Å; F324-M326 VanDerWaalsContact C-N 3.33Å; F324-M326 PolarHBondContact O-N 2.74Å; M326-R329 WeakPolarHBondContact O-CB 3.42Å; M326-R329 PolarHBondContact O-N 3.01Å; M326-T330 PolarHBondContact O-N 3.13Å; M326-C406 HydrophobicContact CE-CB 4.4Å
327	K	78.7	Confident	78.1	Confident	97 Å²	97	55.6 Å²	55.6	42%	0.422	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-39.3	174.9	-167.5	-177.2	-175.4	-173.4	0	112.8	R323 F324 C325 R329 T330 W331	R323-K327 PolarHBondContact O-N 2.99Å; F324-K327 CarbonylContact O-C 3.57Å; F324-K327 WeakPolarHBondContact O-CA 3.46Å; F324-K327 WeakPolarHBondContact O-CB 3.4Å; F324-K327 PolarHBondContact O-N 2.97Å; F324-K327 VanDerWaalsContact O-N 3.1Å; C325-K327 VanDerWaalsContact C-N 3.31Å; C325-K327 PolarHBondContact O-N 3.22Å; K327-R329 VanDerWaalsContact C-N 3.29Å; K327-R329 PolarHBondContact O-N 2.82Å; K327-T330 PolarHBondContact O-N 2.96Å; K327-T330 PolarHBondContact O-OG1 2.94Å; K327-W331 HydrophobicContact CD-CZ2 3.92Å; K327-W331 VanDerWaalsContact CE-CZ2 3.47Å; K327-W331 HydrophobicContact CG-CZ2 4.17Å; K327-W331 PolarHBondContact O-N 3.49Å
328	M	74.9	Confident	75.8	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-35.2	175.1	-76.3	-162.6	-68.4	0	0	112.1	V107 F111 N251 F324 C325 T330 W331 A332	V107-M328 HydrophobicContact CG2-CE 4.4Å; F111-M328 HydrophobicContact CD2-CG 4.5Å; F111-M328 HydrophobicContact CD2-SD 4.4Å; F111-M328 HydrophobicContact CE2-CB 4.28Å; N251-M328 HydrophobicContact CB-CE 4.09Å; F324-M328 HydrophobicContact CD1-CE 3.73Å; F324-M328 HydrophobicContact CD1-CG 4.03Å; F324-M328 HydrophobicContact CD1-SD 4.13Å; F324-M328 HydrophobicContact CE1-CE 3.51Å; F324-M328 HydrophobicContact CE1-CG 3.53Å; F324-M328 HydrophobicContact CE1-SD 3.36Å; F324-M328 WeakPolarHBondContact CE1-SD 3.49Å; F324-M328 HydrophobicContact CZ-CG 3.91Å; F324-M328 HydrophobicContact CZ-SD 4.03Å; F324-M328 PolarHBondContact O-N 2.9Å; C325-M328 PolarHBondContact O-N 3.31Å; M328-T330 VanDerWaalsContact C-N 3.3Å; M328-T330 PolarHBondContact O-N 3.07Å; M328-W331 HydrophobicContact CG-CE3 4.1Å; M328-W331 HydrophobicContact CG-CZ3 4.34Å; M328-W331 WeakPolarHBondContact O-CB 3.19Å; M328-W331 PolarHBondContact O-N 3.47Å; M328-W331 VanDerWaalsContact O-N 3.09Å; M328-A332 PolarHBondContact O-N 3.14Å
329	R	72	Confident	73.6	Confident	113 Å²	113	72.6 Å²	72.6	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-38.9	173.9	-66.3	176.1	-175.8	-164.6	-2	111.8	C325 M326 K327 W331 A332 C406	C325-R329 WeakPolarHBondContact O-CG 3.21Å; C325-R329 PolarHBondContact O-N 3.02Å; C325-R329 VanDerWaalsContact O-N 3.15Å; M326-R329 WeakPolarHBondContact O-CB 3.42Å; M326-R329 PolarHBondContact O-N 3.01Å; K327-R329 VanDerWaalsContact C-N 3.29Å; K327-R329 PolarHBondContact O-N 2.82Å; R329-W331 VanDerWaalsContact C-N 3.32Å; R329-A332 WeakPolarHBondContact O-CB 3.42Å; R329-A332 PolarHBondContact O-N 2.9Å; R329-C406 PolarHBondContact NH1-SG 2.95Å; R329-C406 VanDerWaalsContact NH1-SG 3.38Å
330	T	75	Confident	71.2	Confident	85 Å²	85	76.8 Å²	76.8	52%	0.521	37%	0.369	S	S	.	.	H	α-helix	trans	-73.1	-24	174.6	64.6	0	0	0	0	112.8	M326 K327 M328 S333	M326-T330 PolarHBondContact O-N 3.13Å; K327-T330 PolarHBondContact O-N 2.96Å; K327-T330 PolarHBondContact O-OG1 2.94Å; M328-T330 VanDerWaalsContact C-N 3.3Å; M328-T330 PolarHBondContact O-N 3.07Å; T330-S333 PolarHBondContact O-OG 2.89Å
331	W	74.5	Confident	68.5	Low	49 Å²	49	79.6 Å²	79.6	19%	0.186	39%	0.388	C	S	.	.	H	α-helix	trans	-73.5	-31.3	170.5	-65.5	-12.2	0	0	0	113	H55 F56 F111 F324 K327 M328 R329 S333 T334	H55-W331 AromaticContact CE1-CH2 3.88Å; H55-W331 AromaticContact ND1-CH2 3.82Å; F56-W331 HydrophobicContact CE1-CZ3 4.43Å; F56-W331 HydrophobicContact CZ-CZ3 4.24Å; F111-W331 HydrophobicContact CB-CE3 4.23Å; F111-W331 HydrophobicContact CD1-CB 3.96Å; F111-W331 HydrophobicContact CD1-CE3 4.38Å; F111-W331 HydrophobicContact CD2-CE3 4.2Å; F111-W331 HydrophobicContact CE1-CB 3.52Å; F111-W331 HydrophobicContact CE2-CB 4.38Å; F111-W331 HydrophobicContact CG-CE3 4.03Å; F111-W331 HydrophobicContact CZ-CB 3.76Å; F324-W331 HydrophobicContact CE2-CH2 4.26Å; F324-W331 HydrophobicContact CE2-CZ3 4.39Å; F324-W331 HydrophobicContact CZ-CZ3 4.27Å; K327-W331 HydrophobicContact CD-CZ2 3.92Å; K327-W331 VanDerWaalsContact CE-CZ2 3.47Å; K327-W331 HydrophobicContact CG-CZ2 4.17Å; K327-W331 PolarHBondContact O-N 3.49Å; M328-W331 HydrophobicContact CG-CE3 4.1Å; M328-W331 HydrophobicContact CG-CZ3 4.34Å; M328-W331 WeakPolarHBondContact O-CB 3.19Å; M328-W331 PolarHBondContact O-N 3.47Å; M328-W331 VanDerWaalsContact O-N 3.09Å; R329-W331 VanDerWaalsContact C-N 3.32Å; W331-S333 PolarHBondContact O-N 2.83Å; W331-T334 WeakPolarHBondContact O-CA 3.3Å; W331-T334 WeakPolarHBondContact O-CB 3.36Å; W331-T334 PolarHBondContact O-N 3.31Å; W331-T334 PolarHBondContact O-OG1 3.06Å
332	A	69.4	Low	65.6	Low	44 Å²	44	83.6 Å²	83.6	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-33.7	177.2	0	0	0	0	0	112	F111 M328 R329 T334 L335	F111-A332 HydrophobicContact CZ-CB 4.2Å; M328-A332 PolarHBondContact O-N 3.14Å; R329-A332 WeakPolarHBondContact O-CB 3.42Å; R329-A332 PolarHBondContact O-N 2.9Å; A332-T334 PolarHBondContact O-N 3.43Å; A332-T334 VanDerWaalsContact O-N 3.16Å; A332-L335 PolarHBondContact O-N 3.37Å
333	S	66.9	Low	62.8	Low	80 Å²	80	93.4 Å²	93.4	56%	0.559	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.1	174.8	69.2	0	0	0	0	114.3	T330 W331 R340	T330-S333 PolarHBondContact O-OG 2.89Å; W331-S333 PolarHBondContact O-N 2.83Å; S333-R340 PolarHBondContact O-NH2 2.74Å
334	T	70.1	Confident	59.9	Low	105 Å²	105	92.3 Å²	92.3	64%	0.644	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-11.8	175.7	71.8	0	0	0	0	113.6	W331 A332	W331-T334 WeakPolarHBondContact O-CA 3.3Å; W331-T334 WeakPolarHBondContact O-CB 3.36Å; W331-T334 PolarHBondContact O-N 3.31Å; W331-T334 PolarHBondContact O-OG1 3.06Å; A332-T334 PolarHBondContact O-N 3.43Å; A332-T334 VanDerWaalsContact O-N 3.16Å
335	L	63.9	Low	57.1	Low	33 Å²	33	96.1 Å²	96.1	17%	0.173	52%	0.516	C	S	.	.	S	Bend	trans	-73.3	140.6	179.1	-67.7	171.8	0	0	0	111.3	V108 D110 F111 A332 R340	V108-L335 HydrophobicContact CG1-CD1 4.28Å; D110-L335 HydrophobicContact CB-CD2 3.78Å; F111-L335 HydrophobicContact CD1-CD2 4.36Å; F111-L335 HydrophobicContact CE1-CD1 3.71Å; F111-L335 HydrophobicContact CE1-CD2 4.11Å; F111-L335 HydrophobicContact CE1-CG 3.84Å; F111-L335 HydrophobicContact CZ-CD1 4.03Å; A332-L335 PolarHBondContact O-N 3.37Å; L335-R340 VanDerWaalsContact O-CZ 3.22Å; L335-R340 PolarHBondContact O-NE 3.07Å; L335-R340 PolarHBondContact O-NH2 3.21Å
336	P	59.5	Low	54.6	Low	85 Å²	85	102.8 Å²	102.8	55%	0.552	55%	0.55	S	S	*	*			trans	-55.1	138.6	176.3	-24	33.2	0	0	0	112.4	E338 R339	P336-E338 VanDerWaalsContact C-N 3.27Å; P336-E338 PolarHBondContact O-N 2.88Å; P336-R339 PolarHBondContact O-N 3.17Å; P336-R339 VanDerWaalsContact O-N 3.15Å
337	K	50.2	Low	52.3	Low	178 Å²	178	104.5 Å²	104.5	77%	0.774	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-58.9	-31.8	-174.6	-78	-175.7	176.6	-178.4	0	113.8	R339 R340	K337-R339 PolarHBondContact O-N 3.07Å; K337-R340 WeakPolarHBondContact O-CB 3.3Å; K337-R340 PolarHBondContact O-N 3.17Å; K337-R340 VanDerWaalsContact O-N 3.14Å
338	E	47.1	Very low	50	Low	180 Å²	180	105.8 Å²	105.8	84%	0.841	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-65.5	-22.3	179	-83.7	169.3	162.3	0	0	114.1	P336	P336-E338 VanDerWaalsContact C-N 3.27Å; P336-E338 PolarHBondContact O-N 2.88Å
339	R	46.1	Very low	47.8	Very low	179 Å²	179	113.8 Å²	113.8	68%	0.675	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-96.1	-3.2	175.7	-68.2	-169.1	178.7	-170.6	0	113.8	D110 P336 K337 S341	D110-R339 IonicContact OD2-NH1 2.62Å; P336-R339 PolarHBondContact O-N 3.17Å; P336-R339 VanDerWaalsContact O-N 3.15Å; K337-R339 PolarHBondContact O-N 3.07Å; R339-S341 VanDerWaalsContact C-N 3.28Å
340	R	39.6	Very low	45.8	Very low	106 Å²	106	113.4 Å²	113.4	40%	0.4	64%	0.635	S	S	.	*	S	Bend	trans	-82.4	-4.7	178.5	-63.4	-174.5	-167	-173.8	2.6	113.7	S333 L335 K337	S333-R340 PolarHBondContact O-NH2 2.74Å; L335-R340 VanDerWaalsContact O-CZ 3.22Å; L335-R340 PolarHBondContact O-NE 3.07Å; L335-R340 PolarHBondContact O-NH2 3.21Å; K337-R340 WeakPolarHBondContact O-CB 3.3Å; K337-R340 PolarHBondContact O-N 3.17Å; K337-R340 VanDerWaalsContact O-N 3.14Å
341	S	36	Very low	43.7	Very low	65 Å²	65	114.4 Å²	114.4	46%	0.455	65%	0.646	S	S	.	*	S	Bend	trans	-126.7	114.8	168.1	63.9	0	0	0	0	107	R339 R343	R339-S341 VanDerWaalsContact C-N 3.28Å; S341-R343 PolarHBondContact O-N 3.13Å
342	G	30.5	Very low	41.6	Very low	85 Å²	85	115.9 Å²	115.9	88%	0.876	67%	0.669	S	S	*	*			trans	-67.4	58.8	179.2	0	0	0	0	0	114.2
343	R	29	Very low	39.7	Very low	225 Å²	225	121 Å²	121	85%	0.849	69%	0.69	S	S	*	*			trans	-111	106.8	166	-81.2	-171.8	-178.7	-166.2	-0.1	109.6	S341 A345	S341-R343 PolarHBondContact O-N 3.13Å; R343-A345 PolarHBondContact O-N 2.9Å
344	C	26.6	Very low	38.2	Very low	141 Å²	141	123.1 Å²	123.1	95%	0.953	70%	0.699	S	S	*	*			trans	-50.4	123.3	157.4	-72.6	0	0	0	0	109.4
345	A	27.4	Very low	36.1	Very low	92 Å²	92	124.4 Å²	124.4	76%	0.76	70%	0.702	S	S	*	*			trans	-134.6	90.5	162.3	0	0	0	0	0	107.2	R343	R343-A345 PolarHBondContact O-N 2.9Å
346	D	31.9	Very low	34.6	Very low	148 Å²	148	128.4 Å²	128.4	79%	0.791	73%	0.73	S	S	*	*			trans	-157.3	97.2	147.7	-109.4	-28.3	0	0	0	105.8
347	S	30.1	Very low	33.1	Very low	88 Å²	88	133.2 Å²	133.2	62%	0.615	75%	0.745	S	S	*	*				69.5	105.5	99.3	65.4	0	0	0	0	109.9
348	T	30.6	Very low	32	Very low	124 Å²	124	127.6 Å²	127.6	76%	0.761	74%	0.738	S	S	*	*				-177.7	144.4	68.1	6.5	0	0	0	0	110.2
349	E	28.8	Very low	31.1	Very low	184 Å²	184	127 Å²	127	86%	0.86	74%	0.739	S	S	*	*			trans	76.9	116.6	147	-66.5	-179.1	170.6	0	0	123.1
350	S	29	Very low	30.3	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	75%	0.752	S	S	*	*			trans	92.6	102.9	130.4	-163.1	0	0	0	0	120.4
351	S	30	Very low	29.9	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	77%	0.772	S	S	*	*				80.8	111.9	128.2	73.9	0	0	0	0	120.4
352	A	30.9	Very low	29.4	Very low	81 Å²	81	141.1 Å²	141.1	67%	0.669	79%	0.794	S	S	*	*				103.6	108.5	119	0	0	0	0	0	119.4
353	L	29.9	Very low	29.4	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	80%	0.795	S	S	*	*				94.9	120.6	126.9	-72.6	158.9	0	0	0	120.5
354	T	34.4	Very low	29.4	Very low	123 Å²	123	143.8 Å²	143.8	76%	0.755	80%	0.795	S	S	*	*			trans	88.1	96.2	138	48.8	0	0	0	0	121.2
355	D	27.9	Very low	29.6	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	79%	0.791	S	S	*	*				42.5	136.3	127.2	-148	28.4	0	0	0	119.5	Q357	D355-Q357 PolarHBondContact OD1-N 2.86Å
356	P	31.1	Very low	29.8	Very low	117 Å²	117	150.3 Å²	150.3	76%	0.76	79%	0.792	S	S	*	*				-143.8	136.5	79.1	28	-5.8	0	0	0	116.2	G358	P356-G358 PolarHBondContact O-N 3.02Å
357	Q	28.2	Very low	30.3	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	78%	0.78	S	S	*	*			trans	-49	114.7	148.3	-66.7	-178	-5.2	0	0	110.9	D355	D355-Q357 PolarHBondContact OD1-N 2.86Å
358	G	27.6	Very low	30.6	Very low	60 Å²	60	151.3 Å²	151.3	62%	0.619	79%	0.787	S	S	*	*			trans	-173	117.9	170	0	0	0	0	0	110.1	P356	P356-G358 PolarHBondContact O-N 3.02Å
359	L	27.2	Very low	31.1	Very low	167 Å²	167	150.5 Å²	150.5	87%	0.874	78%	0.777	S	S	*	*			trans	73.7	89.7	168.2	-58.7	144.9	0	0	0	117
360	R	29.7	Very low	31.9	Very low	249 Å²	249	147.1 Å²	147.1	94%	0.94	76%	0.761	S	S	*	*				-164.9	102.4	116.5	-113.4	170.9	170.9	162.9	-1.2	112
361	L	30.7	Very low	32.5	Very low	158 Å²	158	147.8 Å²	147.8	83%	0.827	76%	0.756	S	S	*	*			trans	-58.5	146	167.7	-83.8	99.1	0	0	0	112	L363	L361-L363 PolarHBondContact O-N 3.44Å
362	R	25.8	Very low	33	Very low	240 Å²	240	145.7 Å²	145.7	91%	0.906	74%	0.736	S	S	*	*			trans	-42.7	118.9	158.7	-65.2	169.8	167.3	-179.3	-3.9	111.8
363	L	31.1	Very low	33.6	Very low	172 Å²	172	147 Å²	147	90%	0.901	73%	0.728	S	S	*	*			trans	-139.1	103	151.8	-87.2	167.7	0	0	0	109.2	L361	L361-L363 PolarHBondContact O-N 3.44Å
364	K	29.5	Very low	34.3	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	71%	0.714	S	S	*	*			trans	-62.6	140.1	162.8	-70.1	176.7	173	-178.4	0	108.6
365	H	30.2	Very low	34.9	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.875	70%	0.7	S	S	*	*			trans	47.9	87.5	160.8	-66.5	-2.4	0	0	0	117.7
366	K	31	Very low	35.7	Very low	181 Å²	181	142.5 Å²	142.5	79%	0.787	70%	0.695	S	S	*	*			trans	-142.6	145.3	143.1	-87	-167.5	175.2	-172.1	0	108.6	K368	K366-K368 PolarHBondContact O-N 3.12Å
367	P	42.1	Very low	36.5	Very low	83 Å²	83	143.2 Å²	143.2	54%	0.539	69%	0.691	S	S	.	*			trans	-65.3	123.9	-177.6	26.6	-31.1	0	0	0	110.1	L369 E370	P367-L369 PolarHBondContact O-N 3.47Å; P367-E370 PolarHBondContact O-N 3.39Å
368	K	37.9	Very low	37.4	Very low	174 Å²	174	140.5 Å²	140.5	76%	0.757	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-6.3	-177.1	-89.7	177.7	171.8	177.8	0	115.7	K366	K366-K368 PolarHBondContact O-N 3.12Å
369	L	41.2	Very low	37.9	Very low	106 Å²	106	143.4 Å²	143.4	56%	0.555	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-33.2	-179.2	-92.9	140.9	0	0	0	113.5	P367 L371 L372 E373	P367-L369 PolarHBondContact O-N 3.47Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.05Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.36Å; L369-L372 VanDerWaalsContact O-N 3.11Å; L369-E373 PolarHBondContact O-N 3.23Å; L369-E373 VanDerWaalsContact O-N 3.13Å
370	E	43.6	Very low	38.3	Very low	114 Å²	114	142 Å²	142	53%	0.533	67%	0.669	S	S	.	*	H	α-helix	trans	-67.4	-31	179.1	-73.3	177.1	164.7	0	0	111.9	P367 L372 Q374	P367-E370 PolarHBondContact O-N 3.39Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.85Å; E370-Q374 WeakPolarHBondContact O-CB 3.47Å; E370-Q374 PolarHBondContact O-N 2.99Å; E370-Q374 VanDerWaalsContact O-N 3.11Å
371	L	42.5	Very low	38.3	Very low	118 Å²	118	138.9 Å²	138.9	62%	0.618	67%	0.665	S	S	*	*	H	α-helix	trans	-70.2	-27.5	174.7	-128.1	107.6	0	0	0	112.5	L369 I375	L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.05Å; L371-I375 HydrophobicContact CD2-CD1 4.43Å; L371-I375 WeakPolarHBondContact O-CD1 3.42Å; L371-I375 WeakPolarHBondContact O-CG1 3.44Å; L371-I375 PolarHBondContact O-N 2.93Å; L371-I375 VanDerWaalsContact O-N 3.07Å
372	L	40	Very low	38.5	Very low	63 Å²	63	135.1 Å²	135.1	33%	0.33	65%	0.652	S	S	.	*	H	α-helix	trans	-79.5	-40.2	179.7	-107	152	0	0	0	111.4	L369 E370 Q374 I375 I376 L392	L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.36Å; L369-L372 VanDerWaalsContact O-N 3.11Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.85Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.17Å; L372-I375 PolarHBondContact O-N 2.84Å; L372-I376 HydrophobicContact CD2-CD1 4.47Å; L372-I376 WeakPolarHBondContact O-CB 3.33Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.42Å; L372-I376 PolarHBondContact O-N 2.78Å; L372-L392 HydrophobicContact CD2-CD2 4.01Å
373	E	44.7	Very low	39	Very low	107 Å²	107	130 Å²	130	50%	0.5	65%	0.647	S	S	.	*	H	α-helix	trans	-62.9	-37.5	170.2	-77	-176.7	159.5	0	0	111	L369 I376 I377	L369-E373 PolarHBondContact O-N 3.23Å; L369-E373 VanDerWaalsContact O-N 3.13Å; E373-I376 PolarHBondContact O-N 3.29Å; E373-I377 WeakPolarHBondContact O-CB 3.5Å; E373-I377 WeakPolarHBondContact O-CD1 3.24Å; E373-I377 WeakPolarHBondContact O-CG1 3.35Å; E373-I377 PolarHBondContact O-N 2.92Å
374	Q	44.8	Very low	39.4	Very low	106 Å²	106	126.1 Å²	126.1	50%	0.495	63%	0.626	S	S	.	*	H	α-helix	trans	-68.8	-38.6	177.5	-158.6	149	13.8	0	0	112.6	E370 L372 I377 E378	E370-Q374 WeakPolarHBondContact O-CB 3.47Å; E370-Q374 PolarHBondContact O-N 2.99Å; E370-Q374 VanDerWaalsContact O-N 3.11Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.17Å; Q374-I377 PolarHBondContact O-N 2.84Å; Q374-E378 HydrophobicContact CG-CG 4.32Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.47Å; Q374-E378 PolarHBondContact NE2-OE1 3.13Å; Q374-E378 WeakPolarHBondContact O-CB 3.39Å; Q374-E378 VanDerWaalsContact O-CG 3.23Å; Q374-E378 WeakPolarHBondContact O-CG 3.45Å; Q374-E378 PolarHBondContact O-N 2.8Å
375	I	46.1	Very low	40	Very low	92 Å²	92	119 Å²	119	47%	0.472	60%	0.602	S	S	.	*	H	α-helix	trans	-68	-36.1	174.1	-69	162.9	0	0	0	112	L371 L372 Q379	L371-I375 HydrophobicContact CD2-CD1 4.43Å; L371-I375 WeakPolarHBondContact O-CD1 3.42Å; L371-I375 WeakPolarHBondContact O-CG1 3.44Å; L371-I375 PolarHBondContact O-N 2.93Å; L371-I375 VanDerWaalsContact O-N 3.07Å; L372-I375 PolarHBondContact O-N 2.84Å; I375-Q379 HydrophobicContact CG2-CG 4.37Å; I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 VanDerWaalsContact O-CG 3.24Å; I375-Q379 WeakPolarHBondContact O-CG 3.46Å; I375-Q379 PolarHBondContact O-N 2.81Å
376	I	45.3	Very low	40.5	Very low	115 Å²	115	111.9 Å²	111.9	59%	0.59	57%	0.57	S	S	*	*	H	α-helix	trans	-72.1	-30.9	177.8	-68.4	165.7	0	0	0	111.5	L372 E373	L372-I376 HydrophobicContact CD2-CD1 4.47Å; L372-I376 WeakPolarHBondContact O-CB 3.33Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.42Å; L372-I376 PolarHBondContact O-N 2.78Å; E373-I376 PolarHBondContact O-N 3.29Å
377	I	47.3	Very low	41	Very low	132 Å²	132	107.6 Å²	107.6	68%	0.677	56%	0.555	S	S	*	*	H	α-helix	trans	-85	-33.4	178.4	-66.6	166.1	0	0	0	111.7	E373 Q374	E373-I377 WeakPolarHBondContact O-CB 3.5Å; E373-I377 WeakPolarHBondContact O-CD1 3.24Å; E373-I377 WeakPolarHBondContact O-CG1 3.35Å; E373-I377 PolarHBondContact O-N 2.92Å; Q374-I377 PolarHBondContact O-N 2.84Å
378	E	47.2	Very low	41	Very low	130 Å²	130	108.8 Å²	108.8	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-82.2	-21.3	-178.5	-72.5	174.3	-179.7	0	0	113.4	Q374 N380	Q374-E378 HydrophobicContact CG-CG 4.32Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.47Å; Q374-E378 PolarHBondContact NE2-OE1 3.13Å; Q374-E378 WeakPolarHBondContact O-CB 3.39Å; Q374-E378 VanDerWaalsContact O-CG 3.23Å; Q374-E378 WeakPolarHBondContact O-CG 3.45Å; Q374-E378 PolarHBondContact O-N 2.8Å; E378-N380 VanDerWaalsContact C-N 3.25Å; E378-N380 PolarHBondContact O-N 2.86Å; E378-N380 VanDerWaalsContact O-N 3.1Å
379	Q	37.8	Very low	41.1	Very low	121 Å²	121	105.1 Å²	105.1	57%	0.565	54%	0.535	S	S	*	.			trans	-87.6	65.1	174	-64.7	-77.5	-42.5	0	0	110.7	I375 E381	I375-Q379 HydrophobicContact CG2-CG 4.37Å; I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 VanDerWaalsContact O-CG 3.24Å; I375-Q379 WeakPolarHBondContact O-CG 3.46Å; I375-Q379 PolarHBondContact O-N 2.81Å; Q379-E381 PolarHBondContact O-N 2.79Å
380	N	35.3	Very low	41.2	Very low	137 Å²	137	101.7 Å²	101.7	73%	0.733	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	117.5	168.2	-151.1	27.7	0	0	0	108.4	E378	E378-N380 VanDerWaalsContact C-N 3.25Å; E378-N380 PolarHBondContact O-N 2.86Å; E378-N380 VanDerWaalsContact O-N 3.1Å
381	E	29.9	Very low	41.3	Very low	184 Å²	184	101.6 Å²	101.6	86%	0.86	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	64.9	168.9	-59.1	-173.4	158.1	0	0	117.5	Q379	Q379-E381 PolarHBondContact O-N 2.79Å
382	S	34.6	Very low	41.2	Very low	80 Å²	80	99.4 Å²	99.4	56%	0.559	51%	0.509	S	S	*	.			trans	-159.5	128.6	148.6	53.6	0	0	0	0	112.2	I384	S382-I384 PolarHBondContact O-N 2.74Å
383	V	36.2	Very low	41.1	Very low	132 Å²	132	99.1 Å²	99.1	80%	0.8	50%	0.504	S	S	*	.			trans	-28.6	108.1	178.6	-175.2	0	0	0	0	114.2	S385	V383-S385 PolarHBondContact O-N 2.99Å
384	I	41.3	Very low	41	Very low	90 Å²	90	96.6 Å²	96.6	46%	0.462	50%	0.498	S	S	.	.			trans	-66.4	117.6	158.2	-61.3	175.1	0	0	0	106	S382 Q388 W389	S382-I384 PolarHBondContact O-N 2.74Å; I384-Q388 HydrophobicContact CG2-CB 3.77Å; I384-W389 HydrophobicContact CG2-CB 4.26Å
385	S	41.5	Very low	40.6	Very low	46 Å²	46	98.6 Å²	98.6	32%	0.322	51%	0.505	S	S	.	.			trans	-62.4	147.2	177	88.8	0	0	0	0	109.4	V383 D387 Q388 W389	V383-S385 PolarHBondContact O-N 2.99Å; S385-D387 PolarHBondContact O-N 3.45Å; S385-D387 VanDerWaalsContact O-N 3.1Å; S385-D387 PolarHBondContact OG-N 2.76Å; S385-Q388 WeakPolarHBondContact O-CB 3.48Å; S385-Q388 PolarHBondContact O-N 3.31Å; S385-Q388 PolarHBondContact OG-N 2.91Å; S385-W389 PolarHBondContact O-N 3.26Å
386	I	40.5	Very low	40.1	Very low	39 Å²	39	99.7 Å²	99.7	20%	0.2	51%	0.512	C	S	.	.	H	α-helix	trans	-58.6	-23.9	176	-160.6	109.3	0	0	0	112.2	T211 W389 N390	T211-I386 HydrophobicContact CG2-CG2 4.05Å; T211-I386 VanDerWaalsContact O-CB 3.3Å; T211-I386 WeakPolarHBondContact O-CB 3.13Å; T211-I386 WeakPolarHBondContact O-CD1 3.33Å; T211-I386 WeakPolarHBondContact O-CG1 3.47Å; T211-I386 WeakPolarHBondContact O-CG2 3.48Å; I386-W389 CarbonylContact O-C 3.47Å; I386-W389 PolarHBondContact O-N 2.72Å; I386-N390 WeakPolarHBondContact O-CA 3.47Å; I386-N390 WeakPolarHBondContact O-CB 3.47Å; I386-N390 PolarHBondContact O-N 3.27Å; I386-N390 PolarHBondContact O-ND2 3.46Å
387	D	40.4	Very low	39.8	Very low	91 Å²	91	99.8 Å²	99.8	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-73.4	-43.9	175	-65.2	-33.8	0	0	0	110.1	S385 W389 N390 D391	S385-D387 PolarHBondContact O-N 3.45Å; S385-D387 VanDerWaalsContact O-N 3.1Å; S385-D387 PolarHBondContact OG-N 2.76Å; D387-W389 PolarHBondContact O-N 2.68Å; D387-N390 PolarHBondContact O-N 3.44Å; D387-D391 VanDerWaalsContact O-CB 3.25Å; D387-D391 WeakPolarHBondContact O-CB 3.48Å; D387-D391 PolarHBondContact O-N 3.43Å
388	Q	42.2	Very low	39.4	Very low	108 Å²	108	99.4 Å²	99.4	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-37.9	170	-72.5	176.8	-19.9	0	0	111.4	I384 S385 L392	I384-Q388 HydrophobicContact CG2-CB 3.77Å; S385-Q388 WeakPolarHBondContact O-CB 3.48Å; S385-Q388 PolarHBondContact O-N 3.31Å; S385-Q388 PolarHBondContact OG-N 2.91Å; Q388-L392 VanDerWaalsContact O-CB 3.23Å; Q388-L392 WeakPolarHBondContact O-CB 3.5Å; Q388-L392 WeakPolarHBondContact O-CD1 3.45Å; Q388-L392 WeakPolarHBondContact O-CG 3.35Å; Q388-L392 PolarHBondContact O-N 2.79Å
389	W	41.2	Very low	38.7	Very low	97 Å²	97	94.9 Å²	94.9	37%	0.367	50%	0.496	S	S	.	.	H	α-helix	trans	-69.8	-42.7	175.8	-165.7	95.8	0	0	0	111.9	I384 S385 I386 D387 D391 L392 Y393	I384-W389 HydrophobicContact CG2-CB 4.26Å; S385-W389 PolarHBondContact O-N 3.26Å; I386-W389 CarbonylContact O-C 3.47Å; I386-W389 PolarHBondContact O-N 2.72Å; D387-W389 PolarHBondContact O-N 2.68Å; W389-D391 VanDerWaalsContact C-N 3.35Å; W389-L392 PolarHBondContact O-N 2.79Å; W389-Y393 HydrophobicContact CE3-CD2 4.45Å; W389-Y393 HydrophobicContact CE3-CG 4.18Å; W389-Y393 HydrophobicContact CH2-CD1 4.29Å; W389-Y393 AromaticContact CH2-CD2 3.2Å; W389-Y393 HydrophobicContact CH2-CD2 3.2Å; W389-Y393 AromaticContact CH2-CE2 3.54Å; W389-Y393 HydrophobicContact CH2-CE2 3.54Å; W389-Y393 AromaticContact CH2-CG 3.63Å; W389-Y393 HydrophobicContact CH2-CG 3.63Å; W389-Y393 AromaticContact CZ2-CD2 3.89Å; W389-Y393 HydrophobicContact CZ2-CD2 3.89Å; W389-Y393 HydrophobicContact CZ2-CE2 4.32Å; W389-Y393 AromaticContact CZ3-CD1 3.9Å; W389-Y393 HydrophobicContact CZ3-CD1 3.9Å; W389-Y393 AromaticContact CZ3-CD2 3.52Å; W389-Y393 HydrophobicContact CZ3-CD2 3.52Å; W389-Y393 HydrophobicContact CZ3-CE1 4.46Å; W389-Y393 HydrophobicContact CZ3-CE2 4.14Å; W389-Y393 AromaticContact CZ3-CG 3.39Å; W389-Y393 HydrophobicContact CZ3-CG 3.39Å; W389-Y393 WeakPolarHBondContact O-CB 3.34Å; W389-Y393 PolarHBondContact O-N 2.75Å
390	N	42.6	Very low	38.3	Very low	33 Å²	33	97.8 Å²	97.8	18%	0.176	51%	0.509	C	S	.	.	H	α-helix	trans	-70	-32.6	178.4	-75.9	-33.8	0	0	0	111.2	R252 I386 D387 S394	R252-N390 PolarHBondContact NH2-OD1 3.08Å; I386-N390 WeakPolarHBondContact O-CA 3.47Å; I386-N390 WeakPolarHBondContact O-CB 3.47Å; I386-N390 PolarHBondContact O-N 3.27Å; I386-N390 PolarHBondContact O-ND2 3.46Å; D387-N390 PolarHBondContact O-N 3.44Å; N390-S394 WeakPolarHBondContact O-CB 3.33Å; N390-S394 PolarHBondContact O-N 3.03Å; N390-S394 PolarHBondContact O-OG 3.05Å
391	D	46.8	Very low	38.1	Very low	113 Å²	113	102.3 Å²	102.3	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-70	-47.6	171.4	-79.9	-15.3	0	0	0	110.5	D387 W389 Y393 S394 F395	D387-D391 VanDerWaalsContact O-CB 3.25Å; D387-D391 WeakPolarHBondContact O-CB 3.48Å; D387-D391 PolarHBondContact O-N 3.43Å; W389-D391 VanDerWaalsContact C-N 3.35Å; D391-Y393 VanDerWaalsContact C-N 3.25Å; D391-Y393 PolarHBondContact O-N 3.1Å; D391-S394 PolarHBondContact O-N 3.24Å; D391-F395 WeakPolarHBondContact O-CB 3.3Å; D391-F395 PolarHBondContact O-N 3.23Å
392	L	39.3	Very low	38.1	Very low	71 Å²	71	98.5 Å²	98.5	37%	0.372	52%	0.516	S	S	.	.	H	α-helix	trans	-57.2	-41.9	172	-87.1	161.3	0	0	0	111.3	L372 Q388 W389 L396	L372-L392 HydrophobicContact CD2-CD2 4.01Å; Q388-L392 VanDerWaalsContact O-CB 3.23Å; Q388-L392 WeakPolarHBondContact O-CB 3.5Å; Q388-L392 WeakPolarHBondContact O-CD1 3.45Å; Q388-L392 WeakPolarHBondContact O-CG 3.35Å; Q388-L392 PolarHBondContact O-N 2.79Å; W389-L392 PolarHBondContact O-N 2.79Å; L392-L396 VanDerWaalsContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CD1 3.46Å; L392-L396 WeakPolarHBondContact O-CG 3.28Å; L392-L396 PolarHBondContact O-N 3.17Å
393	Y	38.9	Very low	37.7	Very low	58 Å²	58	100.4 Å²	100.4	23%	0.227	52%	0.524	C	S	.	.	H	α-helix	trans	-73.7	-38.1	-178.9	-166.2	-101	0	0	0	112.3	W389 D391 L396 I397	W389-Y393 HydrophobicContact CE3-CD2 4.45Å; W389-Y393 HydrophobicContact CE3-CG 4.18Å; W389-Y393 HydrophobicContact CH2-CD1 4.29Å; W389-Y393 AromaticContact CH2-CD2 3.2Å; W389-Y393 HydrophobicContact CH2-CD2 3.2Å; W389-Y393 AromaticContact CH2-CE2 3.54Å; W389-Y393 HydrophobicContact CH2-CE2 3.54Å; W389-Y393 AromaticContact CH2-CG 3.63Å; W389-Y393 HydrophobicContact CH2-CG 3.63Å; W389-Y393 AromaticContact CZ2-CD2 3.89Å; W389-Y393 HydrophobicContact CZ2-CD2 3.89Å; W389-Y393 HydrophobicContact CZ2-CE2 4.32Å; W389-Y393 AromaticContact CZ3-CD1 3.9Å; W389-Y393 HydrophobicContact CZ3-CD1 3.9Å; W389-Y393 AromaticContact CZ3-CD2 3.52Å; W389-Y393 HydrophobicContact CZ3-CD2 3.52Å; W389-Y393 HydrophobicContact CZ3-CE1 4.46Å; W389-Y393 HydrophobicContact CZ3-CE2 4.14Å; W389-Y393 AromaticContact CZ3-CG 3.39Å; W389-Y393 HydrophobicContact CZ3-CG 3.39Å; W389-Y393 WeakPolarHBondContact O-CB 3.34Å; W389-Y393 PolarHBondContact O-N 2.75Å; D391-Y393 VanDerWaalsContact C-N 3.25Å; D391-Y393 PolarHBondContact O-N 3.1Å; Y393-L396 PolarHBondContact O-N 2.85Å; Y393-I397 HydrophobicContact CD1-CD1 3.59Å; Y393-I397 HydrophobicContact CD1-CG1 4.45Å; Y393-I397 HydrophobicContact CE1-CD1 3.27Å; Y393-I397 HydrophobicContact CE1-CG1 4.34Å; Y393-I397 HydrophobicContact CG-CD1 4.48Å; Y393-I397 WeakPolarHBondContact O-CB 3.5Å; Y393-I397 VanDerWaalsContact O-CG1 3.23Å; Y393-I397 WeakPolarHBondContact O-CG1 3.36Å; Y393-I397 PolarHBondContact O-N 3.13Å
394	S	41.8	Very low	37.3	Very low	54 Å²	54	97.3 Å²	97.3	38%	0.378	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-40.6	173.5	-61.1	0	0	0	0	110.7	N390 D391 L396 I397 E398	N390-S394 WeakPolarHBondContact O-CB 3.33Å; N390-S394 PolarHBondContact O-N 3.03Å; N390-S394 PolarHBondContact O-OG 3.05Å; D391-S394 PolarHBondContact O-N 3.24Å; S394-L396 VanDerWaalsContact C-N 3.33Å; S394-L396 PolarHBondContact O-N 3.37Å; S394-I397 CarbonylContact O-C 3.47Å; S394-I397 PolarHBondContact O-N 3.03Å; S394-I397 VanDerWaalsContact O-N 3.08Å; S394-E398 WeakPolarHBondContact O-CB 3.32Å; S394-E398 WeakPolarHBondContact O-CG 3.24Å; S394-E398 PolarHBondContact O-N 3.39Å
395	F	36.6	Very low	36.6	Very low	148 Å²	148	98.8 Å²	98.8	65%	0.649	54%	0.538	S	S	*	.	H	α-helix	trans	-63.2	-37.7	174.2	-166.9	-96.6	0	0	0	112.2	D391 I397 G399	D391-F395 WeakPolarHBondContact O-CB 3.3Å; D391-F395 PolarHBondContact O-N 3.23Å; F395-I397 VanDerWaalsContact C-N 3.35Å; F395-G399 PolarHBondContact O-N 3.38Å; F395-G399 VanDerWaalsContact O-N 3.16Å
396	L	36.4	Very low	36.2	Very low	115 Å²	115	100.4 Å²	100.4	60%	0.602	55%	0.548	S	S	*	.	H	α-helix	trans	-70.9	-26.5	172.2	-79.2	163.9	0	0	0	113.3	L392 Y393 S394	L392-L396 VanDerWaalsContact O-CB 3.29Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CD1 3.46Å; L392-L396 WeakPolarHBondContact O-CG 3.28Å; L392-L396 PolarHBondContact O-N 3.17Å; Y393-L396 PolarHBondContact O-N 2.85Å; S394-L396 VanDerWaalsContact C-N 3.33Å; S394-L396 PolarHBondContact O-N 3.37Å
397	I	38.8	Very low	36	Very low	116 Å²	116	103 Å²	103	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-83.5	-31.6	177.3	-76.1	178.6	0	0	0	112	Y393 S394 F395	Y393-I397 HydrophobicContact CD1-CD1 3.59Å; Y393-I397 HydrophobicContact CD1-CG1 4.45Å; Y393-I397 HydrophobicContact CE1-CD1 3.27Å; Y393-I397 HydrophobicContact CE1-CG1 4.34Å; Y393-I397 HydrophobicContact CG-CD1 4.48Å; Y393-I397 WeakPolarHBondContact O-CB 3.5Å; Y393-I397 VanDerWaalsContact O-CG1 3.23Å; Y393-I397 WeakPolarHBondContact O-CG1 3.36Å; Y393-I397 PolarHBondContact O-N 3.13Å; S394-I397 CarbonylContact O-C 3.47Å; S394-I397 PolarHBondContact O-N 3.03Å; S394-I397 VanDerWaalsContact O-N 3.08Å; F395-I397 VanDerWaalsContact C-N 3.35Å
398	E	38.1	Very low	36	Very low	125 Å²	125	102.5 Å²	102.5	58%	0.584	57%	0.571	S	S	*	*	H	α-helix	trans	-85.9	-19.1	179.8	-70.1	-179.3	-173.5	0	0	113.1	S394 E400	S394-E398 WeakPolarHBondContact O-CB 3.32Å; S394-E398 WeakPolarHBondContact O-CG 3.24Å; S394-E398 PolarHBondContact O-N 3.39Å; E398-E400 PolarHBondContact O-N 3.47Å
399	G	33.3	Very low	35.9	Very low	35 Å²	35	98.4 Å²	98.4	36%	0.361	55%	0.552	S	S	.	*	S	Bend	trans	-88.3	96.3	180	0	0	0	0	0	115	F395 W401	F395-G399 PolarHBondContact O-N 3.38Å; F395-G399 VanDerWaalsContact O-N 3.16Å; G399-W401 PolarHBondContact O-N 3.34Å
400	E	29.6	Very low	36	Very low	182 Å²	182	102.1 Å²	102.1	85%	0.85	57%	0.566	S	S	*	*	S	Bend	trans	46.5	61.1	148.5	-62.7	-172.3	153.9	0	0	118.9	E398	E398-E400 PolarHBondContact O-N 3.47Å
401	W	31.1	Very low	35.9	Very low	232 Å²	232	103.5 Å²	103.5	88%	0.879	58%	0.575	S	S	*	*			trans	-134.8	69.5	152.9	-68.2	88.8	0	0	0	110.4	G399 T403	G399-W401 PolarHBondContact O-N 3.34Å; W401-T403 VanDerWaalsContact C-N 3.26Å; W401-T403 PolarHBondContact O-N 3.5Å
402	A	28.6	Very low	35.5	Very low	103 Å²	103	102.2 Å²	102.2	85%	0.851	57%	0.565	S	S	*	*			trans	-81.3	5.8	175	0	0	0	0	0	113.7
403	T	27.4	Very low	35.1	Very low	120 Å²	120	102.3 Å²	102.3	74%	0.736	57%	0.571	S	S	*	*	S	Bend	trans	-152.3	116.2	-176.8	52.3	0	0	0	0	112.9	W401	W401-T403 VanDerWaalsContact C-N 3.26Å; W401-T403 PolarHBondContact O-N 3.5Å
404	G	26.7	Very low	34.7	Very low	68 Å²	68	104.1 Å²	104.1	70%	0.701	58%	0.58	S	S	*	*	S	Bend	trans	92.5	119.7	149.8	0	0	0	0	0	118.3
405	S	27.5	Very low	34.1	Very low	121 Å²	121	106.5 Å²	106.5	85%	0.846	58%	0.581	S	S	*	*			trans	85.7	62	153.9	-44.7	0	0	0	0	119.9
406	C	32.6	Very low	33.6	Very low	79 Å²	79	106.4 Å²	106.4	53%	0.534	59%	0.588	S	S	.	*			trans	-80.7	114.5	149.3	-85.4	0	0	0	0	108.8	M326 R329 A408	M326-C406 HydrophobicContact CE-CB 4.4Å; R329-C406 PolarHBondContact NH1-SG 2.95Å; R329-C406 VanDerWaalsContact NH1-SG 3.38Å; C406-A408 PolarHBondContact O-N 3.5Å
407	L	35.6	Very low	33.1	Very low	93 Å²	93	106.5 Å²	106.5	49%	0.487	60%	0.598	S	S	.	*			trans	-58.6	124.2	172.5	-73.4	159.6	0	0	0	109.4	R290 L409	R290-L407 VanDerWaalsContact NH2-CD1 3.26Å; L407-L409 PolarHBondContact O-N 2.88Å
408	A	39.9	Very low	32.6	Very low	82 Å²	82	107.1 Å²	107.1	68%	0.678	61%	0.607	S	S	*	*			trans	-61.9	119.9	171.5	0	0	0	0	0	108.7	C406 R410	C406-A408 PolarHBondContact O-N 3.5Å; A408-R410 PolarHBondContact O-N 3.14Å
409	L	41.3	Very low	32.1	Very low	22 Å²	22	104.7 Å²	104.7	12%	0.115	62%	0.616	C	S	.	*			trans	-53.3	111.2	172.3	-175.6	78.4	0	0	0	108.1	W272 T275 L278 L407	W272-L409 HydrophobicContact CE3-CD2 4.36Å; W272-L409 HydrophobicContact CZ3-CD2 4.12Å; T275-L409 HydrophobicContact CG2-CD1 3.6Å; T275-L409 WeakPolarHBondContact O-CD1 3.46Å; L278-L409 HydrophobicContact CD1-CD2 4.15Å; L278-L409 HydrophobicContact CG-CD1 4.45Å; L278-L409 HydrophobicContact CG-CD2 4.35Å; L407-L409 PolarHBondContact O-N 2.88Å
410	R	43.5	Very low	31.9	Very low	175 Å²	175	107.7 Å²	107.7	66%	0.66	64%	0.637	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.8	129.2	176.6	-71.9	-174.8	-175.7	168.2	1.2	108.2	Q276 T277 L278 A408	Q276-R410 PolarHBondContact O-N 3.05Å; Q276-R410 VanDerWaalsContact O-N 3.11Å; T277-R410 WeakPolarHBondContact CA-O 3.5Å; T277-R410 WeakPolarHBondContact CB-O 3.39Å; T277-R410 PolarHBondContact OG1-O 3.12Å; L278-R410 PolarHBondContact N-O 2.98Å; A408-R410 PolarHBondContact O-N 3.14Å
411	V	41.2	Very low	31.8	Very low	61 Å²	61	106.1 Å²	106.1	37%	0.37	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.4	118.3	172.7	167.9	0	0	0	0	106.9	V315 A319	V315-V411 HydrophobicContact CG1-CB 4.18Å; V315-V411 HydrophobicContact CG1-CG1 3.17Å; V315-V411 HydrophobicContact CG1-CG2 4.04Å; A319-V411 HydrophobicContact CB-CG2 4.14Å
412	H	36.8	Very low	31.8	Very low	86 Å²	86	99.3 Å²	99.3	40%	0.398	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	128.8	179.9	-74.7	-79.4	0	0	0	110.1	L278 Q279	L278-H412 PolarHBondContact O-N 3.26Å; Q279-H412 VanDerWaalsContact CA-O 3.22Å; Q279-H412 WeakPolarHBondContact CA-O 3.36Å; Q279-H412 VanDerWaalsContact CB-O 3.25Å; Q279-H412 WeakPolarHBondContact CB-O 3.49Å; Q279-H412 HydrophobicContact CG-CB 3.99Å; Q279-H412 WeakPolarHBondContact CG-O 3.48Å
413	C	31.9	Very low	31.7	Very low	73 Å²	73	102 Å²	102	49%	0.493	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	157.2	-58.6	0	0	0	0	106.6	F280 R415	F280-C413 WeakPolarHBondContact CE1-SG 3.3Å; C413-R415 PolarHBondContact O-N 3.17Å
414	F	31	Very low	31.9	Very low	96 Å²	96	102 Å²	102	42%	0.421	64%	0.638	S	S	.	*			trans	-62.9	130	179.9	-86.9	-83.5	0	0	0	110.3	Q279 Y286	Q279-F414 HydrophobicContact CB-CD2 4.23Å; Q279-F414 HydrophobicContact CB-CE2 4.02Å; Q279-F414 HydrophobicContact CG-CE2 4.29Å; Q279-F414 VanDerWaalsContact OE1-CZ 3.3Å; Y286-F414 HydrophobicContact CD2-CE2 4.4Å; Y286-F414 HydrophobicContact CE2-CD2 4.45Å
415	R	27.9	Very low	32	Very low	105 Å²	105	103.6 Å²	103.6	40%	0.396	64%	0.638	S	S	.	*			trans	-119.8	117.6	159.9	-86	177.1	156.3	-154.4	-14.1	105.6	C413 S417 S512 Y514 R602	C413-R415 PolarHBondContact O-N 3.17Å; R415-S417 PolarHBondContact O-N 3.43Å; R415-S512 PolarHBondContact NE-O 3.08Å; R415-S512 PolarHBondContact NH2-O 3.39Å; R415-S512 VanDerWaalsContact NH2-O 3.14Å; R415-Y514 PolarHBondContact NH2-O 3.38Å; R415-R602 VanDerWaalsContact CZ-NE 3.29Å; R415-R602 VanDerWaalsContact CZ-NH1 3.31Å; R415-R602 VanDerWaalsContact NH1-NH2 3.11Å
416	D	26.4	Very low	32.3	Very low	146 Å²	146	109.8 Å²	109.8	78%	0.781	64%	0.643	S	S	*	*			trans	-62.6	132.4	170	-79.1	-37.9	0	0	0	110
417	S	26.8	Very low	32.1	Very low	116 Å²	116	117.4 Å²	117.4	81%	0.811	66%	0.66	S	S	*	*			trans	-126.4	82.5	168.5	55.3	0	0	0	0	107.8	R415	R415-S417 PolarHBondContact O-N 3.43Å
418	T	27.9	Very low	32.2	Very low	130 Å²	130	117.6 Å²	117.6	80%	0.798	67%	0.667	S	S	*	*			trans	-96.5	87	164.2	44.9	0	0	0	0	108.5	A420	T418-A420 PolarHBondContact O-N 3.5Å
419	G	28.1	Very low	31.8	Very low	74 Å²	74	121.7 Å²	121.7	76%	0.763	67%	0.672	S	S	*	*			trans	-84.5	94.1	166.8	0	0	0	0	0	109.7
420	A	27.3	Very low	31.4	Very low	98 Å²	98	124.8 Å²	124.8	81%	0.81	70%	0.695	S	S	*	*			trans	-74.1	119	165	0	0	0	0	0	109.2	T418	T418-A420 PolarHBondContact O-N 3.5Å
421	V	28.4	Very low	31	Very low	148 Å²	148	123.8 Å²	123.8	90%	0.897	70%	0.703	S	S	*	*			trans	-102.8	111.4	164.9	176.6	0	0	0	0	107
422	A	30.5	Very low	30.7	Very low	89 Å²	89	129 Å²	129	74%	0.736	73%	0.726	S	S	*	*			trans	-114.4	118.1	172.1	0	0	0	0	0	110.7
423	N	26.7	Very low	30.8	Very low	161 Å²	161	129.1 Å²	129.1	86%	0.861	73%	0.734	S	S	*	*			trans	47.4	119.2	144.4	-73.2	-15.9	0	0	0	121.8
424	S	33	Very low	30.9	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	75%	0.751	S	S	*	*			trans	-145.5	100.6	135.5	168.3	0	0	0	0	111
425	S	28.6	Very low	31.6	Very low	101 Å²	101	135 Å²	135	71%	0.706	77%	0.765	S	S	*	*			trans	3.8	123	148.3	-56	0	0	0	0	119.9
426	R	32.5	Very low	32.3	Very low	251 Å²	251	135.1 Å²	135.1	95%	0.947	78%	0.779	S	S	*	*				172.8	132.2	104.4	-89.2	176.9	-162.8	-152.5	4	110.8
427	R	29.9	Very low	32.8	Very low	239 Å²	239	136 Å²	136	90%	0.902	78%	0.784	S	S	*	*			trans	-76.8	-173.7	180	-72.4	-173.3	178.1	-177.5	0.1	112.7
428	P	36.2	Very low	33.3	Very low	97 Å²	97	133.7 Å²	133.7	63%	0.63	78%	0.779	S	S	*	*				-141.7	-160.5	-58.3	42.4	-23.3	0	0	0	112.5
429	H	32.1	Very low	33.7	Very low	167 Å²	167	131.6 Å²	131.6	77%	0.773	78%	0.775	S	S	*	*			trans	100.9	104.1	167.7	-72.7	-71.9	0	0	0	116.1
430	S	33.4	Very low	34.1	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	77%	0.773	S	S	*	*				85.4	127.6	94.7	82.2	0	0	0	0	109.8
431	D	35.3	Very low	34.4	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	77%	0.77	S	S	*	*			cis	-161	163.8	44.2	-83.5	-61	0	0	0	112.6
432	M	34.5	Very low	34.5	Very low	171 Å²	171	139.8 Å²	139.8	84%	0.842	77%	0.766	S	S	*	*			trans	-67.8	-167.6	173.3	-83.4	-122.2	102.4	0	0	114.2
433	P	38.4	Very low	34.5	Very low	89 Å²	89	147.3 Å²	147.3	58%	0.578	78%	0.776	S	S	*	*				-139.6	-173.1	-62.9	43.4	-25.9	0	0	0	114.6
434	Q	34	Very low	35	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	77%	0.768	S	S	*	*			trans	89.8	135.6	148.9	-78.3	-176.3	-24	0	0	123.2
435	P	46.5	Very low	34.8	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	77%	0.767	S	S	*	*			trans	-97.6	175.2	169.5	42.3	-34.1	0	0	0	111.6
436	P	42.2	Very low	34.7	Very low	106 Å²	106	147.3 Å²	147.3	69%	0.688	77%	0.769	S	S	*	*				-165.7	-168.7	92.6	40.6	-16.7	0	0	0	117.6
437	N	37.4	Very low	34.7	Very low	164 Å²	164	142.5 Å²	142.5	88%	0.877	77%	0.767	S	S	*	*			trans	89.1	137.4	158.7	-59.8	-18	0	0	0	118.7
438	G	36.7	Very low	34.6	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	76%	0.761	S	S	*	*			cis	-162.2	152.4	7.1	0	0	0	0	0	111.1
439	A	36.1	Very low	34.2	Very low	87 Å²	87	137.9 Å²	137.9	72%	0.719	77%	0.768	S	S	*	*				78.7	130.3	104.8	0	0	0	0	0	113.4
440	H	36.8	Very low	34.1	Very low	156 Å²	156	133.6 Å²	133.6	72%	0.722	76%	0.762	S	S	*	*			cis	-162.5	139.7	39.1	-88.7	-81	0	0	0	108.8
441	Q	32.2	Very low	33.7	Very low	158 Å²	158	135 Å²	135	74%	0.738	77%	0.77	S	S	*	*				65	128.4	100.5	-110.7	168.9	-14.2	0	0	113.4
442	E	31.8	Very low	33.3	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	77%	0.771	S	S	*	*			cis	-162.1	167.8	32.8	-77.9	-177.6	147.2	0	0	114.1
443	R	30.8	Very low	33	Very low	247 Å²	247	128.9 Å²	128.9	93%	0.932	76%	0.761	S	S	*	*			trans	-29.9	171.2	176.1	-79.2	-177.7	-174.1	-171.1	3.1	125
444	P	36.8	Very low	32.5	Very low	109 Å²	109	130.7 Å²	130.7	71%	0.708	77%	0.77	S	S	*	*			trans	-112.9	157.9	-158.2	40.9	-28.7	0	0	0	115.7
445	V	28.7	Very low	32.6	Very low	132 Å²	132	130 Å²	130	80%	0.8	77%	0.771	S	S	*	*			trans	-175.5	142	144.8	-102.4	0	0	0	0	113.3
446	D	27.5	Very low	32	Very low	142 Å²	142	130 Å²	130	76%	0.759	77%	0.772	S	S	*	*			trans	46.9	109.1	147	-55.7	-27	0	0	0	122.1
447	V	32	Very low	31.4	Very low	150 Å²	150	135.4 Å²	135.4	91%	0.909	78%	0.778	S	S	*	*			trans	-149.1	135.4	137.7	-173.6	0	0	0	0	111.5
448	V	27.7	Very low	31.2	Very low	129 Å²	129	133.6 Å²	133.6	78%	0.782	78%	0.776	S	S	*	*			trans	-80	158.4	-175.9	-154.4	0	0	0	0	112.1
449	S	27	Very low	31	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	77%	0.768	S	S	*	*			trans	91.7	129.8	137.2	-145.1	0	0	0	0	121.4
450	A	29.6	Very low	31	Very low	78 Å²	78	135.7 Å²	135.7	65%	0.645	77%	0.772	S	S	*	*			trans	87.2	113	132.5	0	0	0	0	0	122.1
451	C	25.2	Very low	30.9	Very low	117 Å²	117	134 Å²	134	79%	0.791	78%	0.775	S	S	*	*				73.1	131.7	118.6	-67.4	0	0	0	0	121.5
452	S	27.3	Very low	30.8	Very low	119 Å²	119	131.8 Å²	131.8	83%	0.832	78%	0.777	S	S	*	*				45.5	144.4	124.8	-78.1	0	0	0	0	119
453	A	29.1	Very low	31.1	Very low	77 Å²	77	134.9 Å²	134.9	64%	0.636	78%	0.781	S	S	*	*			cis	176.8	152.2	30.4	0	0	0	0	0	108
454	T	28.2	Very low	31.1	Very low	126 Å²	126	135 Å²	135	77%	0.773	78%	0.782	S	S	*	*			trans	43.9	124.3	130.4	-32.6	0	0	0	0	121.1
455	L	34.8	Very low	30.7	Very low	166 Å²	166	134 Å²	134	87%	0.869	78%	0.783	S	S	*	*			trans	-160	156.1	147.2	-80	-168.6	0	0	0	109.7
456	P	34.5	Very low	30.8	Very low	114 Å²	114	136.8 Å²	136.8	74%	0.74	78%	0.784	S	S	*	*				-134.4	173.1	-77.5	31.8	-9.2	0	0	0	114.4
457	R	30	Very low	30.9	Very low	218 Å²	218	138.5 Å²	138.5	82%	0.823	79%	0.79	S	S	*	*			trans	-81	155.9	173.2	-165.8	-173.5	-168.1	-155.6	5	111.1
458	P	33.3	Very low	30.9	Very low	126 Å²	126	135.5 Å²	135.5	82%	0.818	78%	0.781	S	S	*	*			trans	-101.3	139.1	151.9	32.9	-24.2	0	0	0	110.6
459	A	32.2	Very low	31.1	Very low	66 Å²	66	136.1 Å²	136.1	55%	0.545	78%	0.78	S	S	.	*			trans	-135.2	160.8	-176.7	0	0	0	0	0	111.6
460	V	35.9	Very low	31.4	Very low	133 Å²	133	136.8 Å²	136.8	81%	0.806	78%	0.775	S	S	*	*			trans	89.1	149.5	151.2	-169	0	0	0	0	115.9
461	P	35	Very low	31.6	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	77%	0.774	S	S	*	*			cis	-129.9	164.8	6.2	12.1	14.6	0	0	0	119.3
462	S	29.7	Very low	31.8	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	78%	0.779	S	S	*	*			trans	-90.6	143.4	160	168.6	0	0	0	0	111.8
463	R	36.7	Very low	32	Very low	243 Å²	243	137.3 Å²	137.3	92%	0.917	77%	0.773	S	S	*	*			trans	-174.4	108.4	152.8	-98.9	175.2	-159.2	-156.3	6.3	107.6
464	R	31.4	Very low	32.1	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	79%	0.787	S	S	*	*				102.2	124	82.7	-165.5	173.8	-171.3	176.7	2.7	112.8
465	A	28.1	Very low	32.3	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	78%	0.784	S	S	*	*			trans	-40.8	148.3	179.4	0	0	0	0	0	120.3
466	K	31.2	Very low	32.1	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	78%	0.783	S	S	*	*				-176.8	132.4	115.3	-110.5	177.2	173.9	180	0	112.9
467	M	29.7	Very low	31.7	Very low	179 Å²	179	145.3 Å²	145.3	88%	0.882	79%	0.786	S	S	*	*			trans	21.7	142.6	134	-67	173.2	172.6	0	0	118.6
468	A	32.9	Very low	31.4	Very low	86 Å²	86	142.2 Å²	142.2	71%	0.711	78%	0.784	S	S	*	*			cis	-170.6	166.4	13.2	0	0	0	0	0	109.1
469	N	31.3	Very low	30.9	Very low	143 Å²	143	139.8 Å²	139.8	77%	0.765	77%	0.77	S	S	*	*			trans	60	142.8	148.8	-93	23.7	0	0	0	119.4
470	D	32.7	Very low	30.5	Very low	123 Å²	123	144.7 Å²	144.7	66%	0.658	78%	0.779	S	S	*	*			cis	-167.4	160.8	1	-140	-25.4	0	0	0	108.3
471	S	33.9	Very low	30.1	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	78%	0.778	S	S	*	*			trans	67.9	120.4	146	64.1	0	0	0	0	123.1
472	N	29.8	Very low	29.7	Very low	168 Å²	168	144 Å²	144	90%	0.898	77%	0.77	S	S	*	*			trans	58.4	135.5	130.7	-61.7	-16.7	0	0	0	119.9
473	G	31.6	Very low	29.8	Very low	69 Å²	69	146.8 Å²	146.8	71%	0.711	77%	0.771	S	S	*	*			cis	177.8	147.3	6.8	0	0	0	0	0	110.2
474	Q	31.7	Very low	29.6	Very low	199 Å²	199	143 Å²	143	93%	0.93	77%	0.769	S	S	*	*			trans	46.7	144.8	153.7	-107.8	152.6	-45.5	0	0	124.9
475	P	32	Very low	29.6	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	76%	0.763	S	S	*	*			trans	-116	152.5	-159.2	38.8	-23.1	0	0	0	115
476	N	30.5	Very low	29.8	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	76%	0.758	S	S	*	*			trans	-141.3	119.3	162.6	-84.4	-35.3	0	0	0	107.2
477	K	25.2	Very low	29.9	Very low	185 Å²	185	135.4 Å²	135.4	80%	0.804	76%	0.761	S	S	*	*				75.2	135.8	95.2	-141	-172.9	-172.3	-178.9	0	112.9
478	I	24	Very low	29.9	Very low	153 Å²	153	131.6 Å²	131.6	79%	0.785	75%	0.752	S	S	*	*			trans	99.7	155.7	158.5	-51.3	169	0	0	0	115.7
479	S	23.9	Very low	29.8	Very low	76 Å²	76	133.4 Å²	133.4	53%	0.531	75%	0.754	S	S	.	*			trans	-122.8	-177.6	-139.1	37.3	0	0	0	0	112.1
480	F	23.7	Very low	29.8	Very low	169 Å²	169	131.7 Å²	131.7	74%	0.741	75%	0.753	S	S	*	*			trans	95.7	115.5	152.2	-61.8	-65.8	0	0	0	119.8
481	L	26.7	Very low	29.5	Very low	149 Å²	149	130 Å²	130	78%	0.78	76%	0.756	S	S	*	*				64.2	148.9	118.9	-71.5	165.6	0	0	0	123.1
482	S	27.8	Very low	29.3	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	77%	0.766	S	S	*	*			trans	89.6	106.7	151.2	-66.1	0	0	0	0	116.4
483	Q	30.3	Very low	29.1	Very low	171 Å²	171	130.8 Å²	130.8	80%	0.799	76%	0.757	S	S	*	*				79.8	120.1	80.5	-83.9	179.9	-20.1	0	0	111.1
484	D	33	Very low	28.8	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	76%	0.761	S	S	*	*				-168.4	153.5	118.8	-95.9	-19.9	0	0	0	113.9
485	S	31.2	Very low	28.5	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	75%	0.754	S	S	*	*			trans	-87.4	167.4	-163.7	47.2	0	0	0	0	116.5
486	G	31.9	Very low	28.4	Very low	61 Å²	61	136.5 Å²	136.5	63%	0.629	76%	0.762	S	S	*	*			trans	155.7	106.6	145.7	0	0	0	0	0	119.3
487	H	35	Very low	28.2	Very low	190 Å²	190	135.8 Å²	135.8	88%	0.88	76%	0.763	S	S	*	*			trans	100.4	127	139.9	-60.2	-66	0	0	0	123.8
488	S	29.3	Very low	28.3	Very low	99 Å²	99	134.8 Å²	134.8	69%	0.692	76%	0.759	S	S	*	*			trans	-60	171.3	175.9	49	0	0	0	0	115.8
489	V	31.1	Very low	28.6	Very low	125 Å²	125	132.1 Å²	132.1	76%	0.758	75%	0.754	S	S	*	*			cis	-166.4	153.5	46.1	-153.5	0	0	0	0	112.3
490	S	29.9	Very low	28.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	76%	0.761	S	S	*	*			trans	75.2	110.7	143.4	53.5	0	0	0	0	124.7
491	A	27	Very low	29.1	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	76%	0.758	S	S	*	*				69.2	111.5	122.1	0	0	0	0	0	121.6
492	L	28.9	Very low	29.4	Very low	158 Å²	158	129.3 Å²	129.3	83%	0.827	75%	0.753	S	S	*	*				168.2	112.1	115.6	-87.7	149.4	0	0	0	111.5
493	T	25.6	Very low	29.5	Very low	115 Å²	115	129.3 Å²	129.3	71%	0.706	75%	0.753	S	S	*	*			trans	41.6	131.9	141.4	59.8	0	0	0	0	122.9
494	N	25.8	Very low	29.6	Very low	147 Å²	147	128.1 Å²	128.1	79%	0.786	75%	0.752	S	S	*	*			trans	101.1	111.7	150.3	-65.2	-7.3	0	0	0	119.2
495	D	25.6	Very low	29.4	Very low	150 Å²	150	127.9 Å²	127.9	80%	0.802	75%	0.748	S	S	*	*			trans	41.3	99.4	140.3	-78.6	-23.2	0	0	0	117.5
496	K	29.9	Very low	29.2	Very low	202 Å²	202	131.5 Å²	131.5	88%	0.878	75%	0.748	S	S	*	*			trans	169.6	74	151	-93.8	152.4	-171.8	178.1	0	111.2
497	T	25.6	Very low	28.9	Very low	140 Å²	140	133.6 Å²	133.6	86%	0.859	76%	0.76	S	S	*	*			trans	-154.1	67.7	172.2	34.7	0	0	0	0	112.2
498	F	28.9	Very low	28.5	Very low	164 Å²	164	128.5 Å²	128.5	72%	0.719	75%	0.746	S	S	*	*	S	Bend	trans	-154.7	-1.7	156.8	-136	-95.3	0	0	0	114.3	D500	F498-D500 VanDerWaalsContact C-N 3.34Å; F498-D500 PolarHBondContact O-N 2.99Å
499	S	29.7	Very low	28.7	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-69.6	-25.2	179.1	165.5	0	0	0	0	113.8
500	D	28.7	Very low	29	Very low	129 Å²	129	128.2 Å²	128.2	69%	0.69	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-97.4	1.4	-165.1	-65.4	-17.3	0	0	0	114.6	F498 S503	F498-D500 VanDerWaalsContact C-N 3.34Å; F498-D500 PolarHBondContact O-N 2.99Å; D500-S503 PolarHBondContact O-OG 2.87Å
501	S	29.3	Very low	29.2	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-95.3	-12.3	178.1	-46.9	0	0	0	0	113.4
502	V	32.7	Very low	29.8	Very low	112 Å²	112	129.6 Å²	129.6	68%	0.679	72%	0.72	S	S	*	*	S	Bend	trans	-97.5	-19.6	-177.8	-176.7	0	0	0	0	111.8	N504	V502-N504 VanDerWaalsContact C-N 3.26Å; V502-N504 PolarHBondContact O-N 3.29Å
503	S	30.9	Very low	31.1	Very low	88 Å²	88	125.6 Å²	125.6	62%	0.615	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-4.7	-177.8	53	0	0	0	0	115	D500	D500-S503 PolarHBondContact O-OG 2.87Å
504	N	30.7	Very low	33	Very low	146 Å²	146	123.6 Å²	123.6	78%	0.781	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	6	-176.9	-113.7	-11.9	0	0	0	115.2	V502 K506	V502-N504 VanDerWaalsContact C-N 3.26Å; V502-N504 PolarHBondContact O-N 3.29Å; N504-K506 PolarHBondContact O-N 3.2Å
505	M	29.1	Very low	35.4	Very low	159 Å²	159	119.2 Å²	119.2	78%	0.783	65%	0.654	S	S	*	*	S	Bend	trans	-79.3	96	162.6	-78.5	-161.4	-170.2	0	0	109.1	A507	M505-A507 PolarHBondContact O-N 3.39Å
506	K	27.6	Very low	38.1	Very low	191 Å²	191	117.3 Å²	117.3	83%	0.83	64%	0.642	S	S	*	*			trans	-42.3	115.2	173.7	-77.4	-180	174.4	177.5	0	111.5	N504 S508	N504-K506 PolarHBondContact O-N 3.2Å; K506-S508 VanDerWaalsContact C-N 3.34Å; K506-S508 PolarHBondContact O-N 2.99Å; K506-S508 PolarHBondContact O-OG 3.25Å; K506-S508 VanDerWaalsContact O-OG 3.08Å
507	A	25.4	Very low	40.8	Very low	105 Å²	105	109 Å²	109	87%	0.868	61%	0.608	S	S	*	*	S	Bend	trans	-39.3	81.4	174.3	0	0	0	0	0	114.5	M505	M505-A507 PolarHBondContact O-N 3.39Å
508	S	27.2	Very low	43.8	Very low	84 Å²	84	105.1 Å²	105.1	59%	0.587	59%	0.587	S	S	*	*			trans	-143.9	103.4	173.2	53.7	0	0	0	0	110.6	K506	K506-S508 VanDerWaalsContact C-N 3.34Å; K506-S508 PolarHBondContact O-N 2.99Å; K506-S508 PolarHBondContact O-OG 3.25Å; K506-S508 VanDerWaalsContact O-OG 3.08Å
509	F	32.9	Very low	46.7	Very low	161 Å²	161	97.3 Å²	97.3	71%	0.706	55%	0.553	S	S	*	*	S	Bend	trans	84.5	-1.1	149.1	-156.5	-102.6	0	0	0	122.3
510	V	37.8	Very low	49.6	Very low	56 Å²	56	96 Å²	96	34%	0.339	54%	0.541	S	S	.	.			trans	-135.9	12.9	-175.1	-144.6	0	0	0	0	117.3	S512 Y514	V510-S512 PolarHBondContact O-N 2.82Å; V510-Y514 VanDerWaalsContact O-CE1 3.3Å; V510-Y514 WeakPolarHBondContact O-CE1 3.33Å
511	D	33	Very low	52.6	Low	140 Å²	140	90 Å²	90	75%	0.749	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	13.8	-173	-100.3	-10.5	0	0	0	116
512	S	40.4	Very low	55.5	Low	83 Å²	83	90 Å²	90	58%	0.58	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.1	4.2	-175.4	-48.7	0	0	0	0	116.5	R415 V510	R415-S512 PolarHBondContact NE-O 3.08Å; R415-S512 PolarHBondContact NH2-O 3.39Å; R415-S512 VanDerWaalsContact NH2-O 3.14Å; V510-S512 PolarHBondContact O-N 2.82Å
513	E	56.6	Low	58.1	Low	74 Å²	74	87.2 Å²	87.2	35%	0.346	48%	0.484	S	S	.	.	S	Bend	trans	-109.7	4.9	-173.1	-76.8	-161.4	174.8	0	0	116.1	Q539 R602	E513-Q539 PolarHBondContact OE2-NE2 3.5Å; E513-R602 PolarHBondContact O-N 3.41Å
514	Y	66.1	Low	60.8	Low	74 Å²	74	85.2 Å²	85.2	29%	0.29	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157.6	-176.1	66	-90.5	0	0	0	115.1	R415 V510 I516 L599 R600	R415-Y514 PolarHBondContact NH2-O 3.38Å; V510-Y514 VanDerWaalsContact O-CE1 3.3Å; V510-Y514 WeakPolarHBondContact O-CE1 3.33Å; Y514-I516 HydrophobicContact CD2-CG1 4.15Å; Y514-I516 HydrophobicContact CE2-CD1 4.21Å; Y514-I516 HydrophobicContact CE2-CG1 4.02Å; Y514-L599 HydrophobicContact CD1-CD1 4.3Å; Y514-L599 HydrophobicContact CD2-CD1 3.74Å; Y514-L599 HydrophobicContact CD2-CD2 4.45Å; Y514-L599 HydrophobicContact CD2-CG 3.69Å; Y514-L599 HydrophobicContact CE2-CD1 4.12Å; Y514-L599 HydrophobicContact CG-CD1 3.84Å; Y514-L599 HydrophobicContact CG-CD2 4.03Å; Y514-L599 HydrophobicContact CG-CG 3.76Å; Y514-R600 CarbonylContact C-O 3.51Å; Y514-R600 WeakPolarHBondContact CA-O 3.41Å; Y514-R600 WeakPolarHBondContact CB-O 3.45Å
515	D	74.7	Confident	63.2	Low	55 Å²	55	84.6 Å²	84.6	29%	0.294	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.2	167	-65.5	-47.7	0	0	0	109.8	L599 R600 R602	D515-L599 CarbonylContact O-C 3.54Å; D515-L599 WeakPolarHBondContact O-CA 3.34Å; D515-R600 HydrophobicContact CB-CB 4.27Å; D515-R600 PolarHBondContact N-O 3.11Å; D515-R600 PolarHBondContact O-N 3.47Å; D515-R602 IonicContact OD1-CZ 2.94Å; D515-R602 IonicContact OD1-NE 3.46Å; D515-R602 PolarHBondContact OD1-NE 3.34Å; D515-R602 IonicContact OD1-NH2 2.85Å; D515-R602 PolarHBondContact OD1-NH2 3.02Å; D515-R602 VanDerWaalsContact OD2-CG 3.25Å; D515-R602 WeakPolarHBondContact OD2-CG 3.42Å; D515-R602 IonicContact OD2-CZ 3.51Å; D515-R602 IonicContact OD2-NE 2.69Å; D515-R602 PolarHBondContact OD2-NE 3.33Å; D515-R602 IonicContact OD2-NH2 2.83Å
516	I	83.5	Confident	65.5	Low	109 Å²	109	86.6 Å²	86.6	56%	0.559	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.5	170.2	-59.7	178.3	0	0	0	107.3	Y514 R597 V598	Y514-I516 HydrophobicContact CD2-CG1 4.15Å; Y514-I516 HydrophobicContact CE2-CD1 4.21Å; Y514-I516 HydrophobicContact CE2-CG1 4.02Å; I516-R597 HydrophobicContact CG2-CG 3.59Å; I516-V598 CarbonylContact C-O 3.52Å; I516-V598 WeakPolarHBondContact CA-O 3.36Å
517	V	85.1	Confident	67.9	Low	27 Å²	27	82.4 Å²	82.4	16%	0.164	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	177.8	-178.7	0	0	0	0	108.6	R560 R597 V598	V517-R560 HydrophobicContact CG1-CB 4.22Å; V517-R597 WeakPolarHBondContact O-CA 3.48Å; V517-V598 HydrophobicContact CB-CG2 3.75Å; V517-V598 HydrophobicContact CG1-CG2 4.47Å; V517-V598 PolarHBondContact N-O 2.79Å; V517-V598 PolarHBondContact O-N 3.25Å
518	S	88.7	Confident	70.9	Confident	60 Å²	60	79 Å²	79	42%	0.42	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.5	174.4	-68.3	0	0	0	0	110.3	L596	S518-L596 CarbonylContact C-O 3.52Å; S518-L596 VanDerWaalsContact CA-O 3.28Å; S518-L596 WeakPolarHBondContact CA-O 3.18Å
519	A	90	Very high	73.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137	178	0	0	0	0	0	109.6	R560 L561 S595 L596	A519-R560 HydrophobicContact CB-CB 4.32Å; A519-L561 HydrophobicContact CB-CD1 4.25Å; A519-L561 HydrophobicContact CB-CD2 3.82Å; A519-L561 HydrophobicContact CB-CG 3.87Å; A519-S595 CarbonylContact O-C 3.55Å; A519-L596 PolarHBondContact N-O 2.81Å; A519-L596 PolarHBondContact O-N 3.33Å
520	T	91.6	Very high	76.5	Confident	69 Å²	69	68.1 Å²	68.1	42%	0.423	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.4	174.1	-54.4	0	0	0	0	107.6	S593 V594	T520-S593 VanDerWaalsContact CG2-OG 3.23Å; T520-S593 WeakPolarHBondContact CG2-OG 3.29Å; T520-V594 CarbonylContact C-O 3.53Å; T520-V594 WeakPolarHBondContact CA-O 3.35Å
521	L	90.8	Very high	78.9	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	-173.9	-59.9	-178.4	0	0	0	109.8	L529 L531 A555 D558 L561 V594 L596	L521-L529 HydrophobicContact CB-CD2 3.82Å; L521-L529 HydrophobicContact CD1-CB 4.19Å; L521-L531 HydrophobicContact CD1-CD1 4.35Å; L521-A555 HydrophobicContact CD1-CB 3.75Å; L521-D558 HydrophobicContact CD2-CB 3.36Å; L521-L561 HydrophobicContact CD1-CD1 3.86Å; L521-V594 PolarHBondContact N-O 3.4Å; L521-V594 PolarHBondContact O-N 2.91Å; L521-L596 HydrophobicContact CD1-CD1 4.05Å
522	V	90.4	Very high	81.4	Confident	93 Å²	93	63.4 Å²	63.4	56%	0.564	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.1	171.7	-177.6	0	0	0	0	108.7	D524 P554 A592	V522-D524 PolarHBondContact O-N 2.99Å; V522-P554 WeakPolarHBondContact O-CB 3.13Å; V522-P554 WeakPolarHBondContact O-CG 3.33Å; V522-A592 CarbonylContact C-O 3.53Å; V522-A592 WeakPolarHBondContact CA-O 3.36Å
523	K	87.8	Confident	83.7	Confident	55 Å²	55	60.6 Å²	60.6	24%	0.239	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.2	119.3	178.2	-67.3	174.6	-176.6	167.9	0	110.2	L529 V587 S590 D591 A592 V594	K523-L529 HydrophobicContact CG-CD2 3.77Å; K523-V587 WeakPolarHBondContact CE-O 3.49Å; K523-V587 PolarHBondContact NZ-O 3.11Å; K523-S590 VanDerWaalsContact NZ-C 3.35Å; K523-S590 PolarHBondContact NZ-O 2.59Å; K523-S590 PolarHBondContact NZ-OG 3.46Å; K523-S590 VanDerWaalsContact NZ-OG 3.11Å; K523-D591 WeakPolarHBondContact CE-O 3.47Å; K523-D591 PolarHBondContact NZ-O 2.99Å; K523-A592 PolarHBondContact N-O 3.1Å; K523-V594 HydrophobicContact CD-CG2 4.34Å; K523-V594 HydrophobicContact CG-CG2 4.15Å
524	D	87.1	Confident	85.1	Confident	46 Å²	46	57.9 Å²	57.9	25%	0.246	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-81.8	136.9	169.2	-179.2	-89.6	0	0	0	110.2	V522 R526 Y527 G528 P554	V522-D524 PolarHBondContact O-N 2.99Å; D524-R526 PolarHBondContact O-N 3.27Å; D524-R526 VanDerWaalsContact OD1-CA 3.31Å; D524-R526 WeakPolarHBondContact OD1-CA 3.29Å; D524-R526 VanDerWaalsContact OD1-CB 3.28Å; D524-R526 WeakPolarHBondContact OD1-CB 3.42Å; D524-R526 PolarHBondContact OD1-N 2.96Å; D524-Y527 HydrophobicContact CB-CD2 4.47Å; D524-Y527 VanDerWaalsContact OD1-CD2 3.25Å; D524-Y527 WeakPolarHBondContact OD1-CD2 3.36Å; D524-Y527 PolarHBondContact OD1-N 2.83Å; D524-G528 PolarHBondContact N-O 3.35Å; D524-G528 VanDerWaalsContact O-CA 3.31Å; D524-G528 WeakPolarHBondContact O-CA 3.22Å; D524-G528 PolarHBondContact O-N 3.38Å; D524-P554 HydrophobicContact CB-CG 3.61Å
525	P	82	Confident	86	Confident	133 Å²	133	58.4 Å²	58.4	86%	0.864	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.8	179	-25.9	34.4	0	0	0	114.8
526	R	78	Confident	86	Confident	200 Å²	200	56.4 Å²	56.4	76%	0.755	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-40.8	-179.2	-64.5	-179.8	-75.3	-165.8	-4	112.2	D524	D524-R526 PolarHBondContact O-N 3.27Å; D524-R526 VanDerWaalsContact OD1-CA 3.31Å; D524-R526 WeakPolarHBondContact OD1-CA 3.29Å; D524-R526 VanDerWaalsContact OD1-CB 3.28Å; D524-R526 WeakPolarHBondContact OD1-CB 3.42Å; D524-R526 PolarHBondContact OD1-N 2.96Å
527	Y	77.8	Confident	85.6	Confident	104 Å²	104	54.5 Å²	54.5	41%	0.408	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-4.9	-170.1	-54.4	-65.2	0	0	0	114.5	D524 L529 G530 T550	D524-Y527 HydrophobicContact CB-CD2 4.47Å; D524-Y527 VanDerWaalsContact OD1-CD2 3.25Å; D524-Y527 WeakPolarHBondContact OD1-CD2 3.36Å; D524-Y527 PolarHBondContact OD1-N 2.83Å; Y527-L529 PolarHBondContact O-N 3.19Å; Y527-G530 WeakPolarHBondContact O-CA 3.39Å; Y527-G530 PolarHBondContact O-N 3.31Å; Y527-T550 HydrophobicContact CD1-CG2 3.72Å; Y527-T550 HydrophobicContact CE1-CG2 4.22Å; Y527-T550 HydrophobicContact CG-CG2 4.42Å
528	G	88.3	Confident	84.6	Confident	32 Å²	32	53.7 Å²	53.7	33%	0.33	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	59	-127.2	-169.3	0	0	0	0	0	109.9	D524 P554	D524-G528 PolarHBondContact N-O 3.35Å; D524-G528 VanDerWaalsContact O-CA 3.31Å; D524-G528 WeakPolarHBondContact O-CA 3.22Å; D524-G528 PolarHBondContact O-N 3.38Å; G528-P554 WeakPolarHBondContact O-CG 3.43Å
529	L	88.7	Confident	83.1	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.079	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8	171.6	-58.8	-175	0	0	0	113.3	L521 K523 Y527 L531 A555 V587 V594 L596	L521-L529 HydrophobicContact CB-CD2 3.82Å; L521-L529 HydrophobicContact CD1-CB 4.19Å; K523-L529 HydrophobicContact CG-CD2 3.77Å; Y527-L529 PolarHBondContact O-N 3.19Å; L529-L531 HydrophobicContact CB-CD1 4.42Å; L529-L531 HydrophobicContact CB-CG 4.45Å; L529-A555 WeakPolarHBondContact O-CB 3.23Å; L529-A555 PolarHBondContact O-N 3.08Å; L529-V587 HydrophobicContact CD1-CG1 3.65Å; L529-V587 HydrophobicContact CD1-CG2 4.11Å; L529-V587 HydrophobicContact CG-CG1 4.03Å; L529-V594 HydrophobicContact CD1-CB 4.06Å; L529-V594 HydrophobicContact CD1-CG1 4.04Å; L529-V594 HydrophobicContact CD1-CG2 4.3Å; L529-V594 HydrophobicContact CD2-CB 4.2Å; L529-V594 HydrophobicContact CD2-CG2 4.1Å; L529-L596 HydrophobicContact CD1-CD1 4.19Å
530	G	87.6	Confident	81.5	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	70.9	29.9	-175	0	0	0	0	0	114.3	Y527 M549 T550	Y527-G530 WeakPolarHBondContact O-CA 3.39Å; Y527-G530 PolarHBondContact O-N 3.31Å; G530-M549 CarbonylContact O-C 3.57Å; G530-M549 VanDerWaalsContact O-CA 3.28Å; G530-M549 WeakPolarHBondContact O-CA 3.44Å; G530-T550 PolarHBondContact O-N 3.02Å
531	L	89	Confident	80.2	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.9	-179.7	-65.4	174.9	0	0	0	111.6	L521 L529 I546 M549 A555 L561 L596	L521-L531 HydrophobicContact CD1-CD1 4.35Å; L529-L531 HydrophobicContact CB-CD1 4.42Å; L529-L531 HydrophobicContact CB-CG 4.45Å; L531-I546 HydrophobicContact CD1-CD1 4.49Å; L531-I546 HydrophobicContact CD2-CD1 4.05Å; L531-I546 HydrophobicContact CD2-CG1 4.48Å; L531-I546 HydrophobicContact CD2-CG2 3.93Å; L531-M549 HydrophobicContact CD2-CG 3.9Å; L531-A555 HydrophobicContact CD1-CB 4.31Å; L531-A555 HydrophobicContact CD2-CB 3.3Å; L531-A555 HydrophobicContact CG-CB 3.58Å; L531-L561 HydrophobicContact CD1-CD1 3.87Å; L531-L561 HydrophobicContact CD2-CD1 4.16Å; L531-L596 HydrophobicContact CD1-CD1 3.51Å
532	T	86	Confident	79.5	Confident	61 Å²	61	62.1 Å²	62.1	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	165.2	-57.5	0	0	0	0	109.5	R547 S548	T532-R547 HydrophobicContact CG2-CB 4.46Å; T532-R547 PolarHBondContact O-N 2.91Å; T532-S548 WeakPolarHBondContact CB-OG 3.43Å; T532-S548 PolarHBondContact N-O 3.38Å; T532-S548 PolarHBondContact OG1-OG 3.09Å; T532-S548 VanDerWaalsContact OG1-OG 3.05Å
533	L	88.9	Confident	79.3	Confident	24 Å²	24	58.4 Å²	58.4	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148.7	-178.7	-59.6	179	0	0	0	111.9	V544 Y545 I546 V567 R580 A583	L533-V544 HydrophobicContact CB-CG1 3.84Å; L533-V544 HydrophobicContact CD1-CG1 3.96Å; L533-V544 HydrophobicContact CD2-CG1 4.35Å; L533-V544 HydrophobicContact CG-CG1 4.27Å; L533-Y545 CarbonylContact C-O 3.52Å; L533-Y545 VanDerWaalsContact CA-O 3.27Å; L533-Y545 WeakPolarHBondContact CA-O 3.5Å; L533-I546 HydrophobicContact CD2-CG1 4.04Å; L533-V567 HydrophobicContact CD2-CG2 3.77Å; L533-R580 HydrophobicContact CB-CG 3.95Å; L533-R580 WeakPolarHBondContact O-CD 3.45Å; L533-A583 HydrophobicContact CD1-CB 4.09Å
534	V	85.4	Confident	79.4	Confident	17 Å²	17	55.9 Å²	55.9	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.5	171.8	-70.9	0	0	0	0	111.8	V544 Y545 R547 W725	V534-V544 CarbonylContact O-C 3.59Å; V534-V544 WeakPolarHBondContact O-CA 3.49Å; V534-Y545 PolarHBondContact N-O 2.84Å; V534-Y545 PolarHBondContact O-N 2.91Å; V534-R547 HydrophobicContact CB-CB 4.48Å; V534-R547 HydrophobicContact CG1-CB 3.86Å; V534-R547 HydrophobicContact CG1-CG 4.23Å; V534-R547 HydrophobicContact CG2-CB 3.92Å; V534-W725 HydrophobicContact CG2-CD2 4.23Å; V534-W725 HydrophobicContact CG2-CE3 3.86Å; V534-W725 HydrophobicContact CG2-CZ3 4.12Å
535	D	85	Confident	79.5	Confident	85 Å²	85	53.7 Å²	53.7	46%	0.455	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.8	161.9	-65.6	-65.7	0	0	0	108.1	R580	D535-R580 VanDerWaalsContact CG-CB 3.46Å; D535-R580 WeakPolarHBondContact OD1-CB 3.25Å; D535-R580 PolarHBondContact OD1-N 2.87Å; D535-R580 WeakPolarHBondContact OD2-CB 3.38Å; D535-R580 IonicContact OD2-NE 3.71Å
536	G	74.4	Confident	79.9	Confident	13 Å²	13	47.3 Å²	47.3	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	176.5	-175.7	0	0	0	0	0	113.3	K542 G543 Y545	G536-K542 WeakPolarHBondContact O-CA 3.39Å; G536-G543 PolarHBondContact N-O 3.42Å; G536-G543 PolarHBondContact O-N 3.49Å; G536-Y545 WeakPolarHBondContact O-CE2 3.49Å
537	E	75.2	Confident	80.2	Confident	69 Å²	69	44.6 Å²	44.6	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	99.5	172.7	-174.8	179.8	162.5	0	0	109.5	G540 L541	E537-G540 WeakPolarHBondContact OE1-CA 3.33Å; E537-L541 WeakPolarHBondContact CA-O 3.19Å
538	I	64.9	Low	80.3	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	173.7	-55.9	-174.7	0	0	0	108.6	G540 L541 Y545 L601 L604 I723 W725	I538-G540 PolarHBondContact O-N 3.05Å; I538-L541 PolarHBondContact N-O 3.1Å; I538-L541 WeakPolarHBondContact O-CB 3.14Å; I538-L541 PolarHBondContact O-N 3.35Å; I538-Y545 HydrophobicContact CB-CE1 3.9Å; I538-Y545 HydrophobicContact CD1-CD1 3.61Å; I538-Y545 HydrophobicContact CD1-CE1 3.62Å; I538-Y545 HydrophobicContact CD1-CG 4.25Å; I538-Y545 HydrophobicContact CG1-CD1 4.11Å; I538-Y545 HydrophobicContact CG1-CE1 3.75Å; I538-Y545 HydrophobicContact CG1-CE2 4.37Å; I538-L601 HydrophobicContact CB-CD1 3.94Å; I538-L601 HydrophobicContact CG2-CD1 3.48Å; I538-L601 VanDerWaalsContact CG2-CD1 3.48Å; I538-L604 HydrophobicContact CD1-CD1 4.06Å; I538-L604 HydrophobicContact CG2-CD1 4.26Å; I538-L604 HydrophobicContact CG2-CD2 4.17Å; I538-I723 HydrophobicContact CD1-CG2 3.82Å; I538-W725 HydrophobicContact CD1-CE3 3.94Å; I538-W725 HydrophobicContact CD1-CH2 4.33Å; I538-W725 HydrophobicContact CD1-CZ3 3.56Å; I538-W725 HydrophobicContact CG1-CE3 4.35Å; I538-W725 HydrophobicContact CG1-CZ3 4.4Å
539	Q	56.9	Low	80.1	Confident	72 Å²	72	41.9 Å²	41.9	34%	0.336	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	26.2	-179.6	-67	-169.5	-37.6	0	0	115.2	E513 L541 L601 C603	E513-Q539 PolarHBondContact OE2-NE2 3.5Å; Q539-L541 VanDerWaalsContact C-N 3.32Å; Q539-L601 HydrophobicContact CB-CD1 4.49Å; Q539-L601 HydrophobicContact CG-CD1 4.44Å; Q539-C603 PolarHBondContact NE2-SG 3.05Å
540	G	56	Low	79.7	Confident	24 Å²	24	43.6 Å²	43.6	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	3.1	-177.5	0	0	0	0	0	114.7	E537 I538	E537-G540 WeakPolarHBondContact OE1-CA 3.33Å; I538-G540 PolarHBondContact O-N 3.05Å
541	L	63.6	Low	79.1	Confident	41 Å²	41	46.7 Å²	46.7	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	103.8	173.5	-66	166.5	0	0	0	108.7	E537 I538 Q539 Y545 L601	E537-L541 WeakPolarHBondContact CA-O 3.19Å; I538-L541 PolarHBondContact N-O 3.1Å; I538-L541 WeakPolarHBondContact O-CB 3.14Å; I538-L541 PolarHBondContact O-N 3.35Å; Q539-L541 VanDerWaalsContact C-N 3.32Å; L541-Y545 WeakPolarHBondContact CB-OH 3.31Å; L541-Y545 PolarHBondContact O-OH 2.82Å; L541-L601 HydrophobicContact CD1-CD1 4.45Å; L541-L601 HydrophobicContact CD1-CD2 3.73Å
542	K	77.7	Confident	78.6	Confident	172 Å²	172	46.6 Å²	46.6	75%	0.748	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.9	170.3	-168.8	177.5	178.4	-176.2	0	109.7	G536 K566	G536-K542 WeakPolarHBondContact O-CA 3.39Å; K542-K566 PolarHBondContact O-NZ 2.82Å
543	G	85.3	Confident	78.5	Confident	14 Å²	14	43.7 Å²	43.7	14%	0.144	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-172.4	177.5	0	0	0	0	0	114	G536 Y545	G536-G543 PolarHBondContact N-O 3.42Å; G536-G543 PolarHBondContact O-N 3.49Å; G543-Y545 WeakPolarHBondContact O-CD2 3.39Å
544	V	90.3	Very high	78.5	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.9	174.1	-175.4	0	0	0	0	108.3	L533 V534 K566 V567 R580 A583	L533-V544 HydrophobicContact CB-CG1 3.84Å; L533-V544 HydrophobicContact CD1-CG1 3.96Å; L533-V544 HydrophobicContact CD2-CG1 4.35Å; L533-V544 HydrophobicContact CG-CG1 4.27Å; V534-V544 CarbonylContact O-C 3.59Å; V534-V544 WeakPolarHBondContact O-CA 3.49Å; V544-K566 CarbonylContact O-C 3.53Å; V544-K566 WeakPolarHBondContact O-CA 3.36Å; V544-V567 PolarHBondContact O-N 2.94Å; V544-R580 HydrophobicContact CG1-CB 4.22Å; V544-R580 HydrophobicContact CG1-CG 4.45Å; V544-R580 HydrophobicContact CG2-CB 4.4Å; V544-A583 HydrophobicContact CG1-CB 4.23Å
545	Y	89.5	Confident	78.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.9	-173.6	-68	-94.4	0	0	0	112.9	L533 V534 G536 I538 L541 G543 R547 D565 K566 W725	L533-Y545 CarbonylContact C-O 3.52Å; L533-Y545 VanDerWaalsContact CA-O 3.27Å; L533-Y545 WeakPolarHBondContact CA-O 3.5Å; V534-Y545 PolarHBondContact N-O 2.84Å; V534-Y545 PolarHBondContact O-N 2.91Å; G536-Y545 WeakPolarHBondContact O-CE2 3.49Å; I538-Y545 HydrophobicContact CB-CE1 3.9Å; I538-Y545 HydrophobicContact CD1-CD1 3.61Å; I538-Y545 HydrophobicContact CD1-CE1 3.62Å; I538-Y545 HydrophobicContact CD1-CG 4.25Å; I538-Y545 HydrophobicContact CG1-CD1 4.11Å; I538-Y545 HydrophobicContact CG1-CE1 3.75Å; I538-Y545 HydrophobicContact CG1-CE2 4.37Å; L541-Y545 WeakPolarHBondContact CB-OH 3.31Å; L541-Y545 PolarHBondContact O-OH 2.82Å; G543-Y545 WeakPolarHBondContact O-CD2 3.39Å; Y545-R547 PolarHBondContact O-N 3.47Å; Y545-D565 CarbonylContact C-O 3.47Å; Y545-D565 VanDerWaalsContact CA-O 3.3Å; Y545-D565 WeakPolarHBondContact CA-O 3.45Å; Y545-K566 HydrophobicContact CD1-CB 3.83Å; Y545-K566 HydrophobicContact CE1-CB 3.5Å; Y545-K566 HydrophobicContact CE1-CG 4.13Å; Y545-K566 HydrophobicContact CE2-CG 4.49Å; Y545-W725 VanDerWaalsContact CB-CZ3 3.45Å; Y545-W725 HydrophobicContact CD1-CZ3 4.28Å; Y545-W725 AromaticContact CG-CZ3 3.97Å; Y545-W725 HydrophobicContact CG-CZ3 3.97Å
546	I	89.1	Confident	78.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.4	172.1	-57.2	-179.2	0	0	0	109.1	L531 L533 M549 L561 G564 D565 V567 V598 W725	L531-I546 HydrophobicContact CD1-CD1 4.49Å; L531-I546 HydrophobicContact CD2-CD1 4.05Å; L531-I546 HydrophobicContact CD2-CG1 4.48Å; L531-I546 HydrophobicContact CD2-CG2 3.93Å; L533-I546 HydrophobicContact CD2-CG1 4.04Å; I546-M549 HydrophobicContact CG2-CG 4.15Å; I546-L561 HydrophobicContact CD1-CB 4.02Å; I546-L561 HydrophobicContact CD1-CD1 4.19Å; I546-L561 HydrophobicContact CD1-CD2 4.38Å; I546-L561 HydrophobicContact CD1-CG 4.44Å; I546-G564 PolarHBondContact O-N 2.76Å; I546-D565 HydrophobicContact CD1-CB 4.07Å; I546-D565 HydrophobicContact CG1-CB 4.41Å; I546-D565 PolarHBondContact N-O 2.93Å; I546-V567 HydrophobicContact CG1-CG2 4.2Å; I546-V598 HydrophobicContact CD1-CG1 4.47Å; I546-W725 VanDerWaalsContact O-CH2 3.32Å; I546-W725 WeakPolarHBondContact O-CH2 3.35Å
547	R	84	Confident	79.2	Confident	142 Å²	142	48.2 Å²	48.2	54%	0.536	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-38.5	178.7	174.2	168.1	-179.8	179.6	6.8	113.3	T532 V534 Y545 I563	T532-R547 HydrophobicContact CG2-CB 4.46Å; T532-R547 PolarHBondContact O-N 2.91Å; V534-R547 HydrophobicContact CB-CB 4.48Å; V534-R547 HydrophobicContact CG1-CB 3.86Å; V534-R547 HydrophobicContact CG1-CG 4.23Å; V534-R547 HydrophobicContact CG2-CB 3.92Å; Y545-R547 PolarHBondContact O-N 3.47Å; R547-I563 VanDerWaalsContact O-CG2 3.27Å; R547-I563 WeakPolarHBondContact O-CG2 3.31Å
548	S	80.4	Confident	80	Confident	43 Å²	43	47.1 Å²	47.1	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	163	178.4	67.7	0	0	0	0	110.6	T532	T532-S548 WeakPolarHBondContact CB-OG 3.43Å; T532-S548 PolarHBondContact N-O 3.38Å; T532-S548 PolarHBondContact OG1-OG 3.09Å; T532-S548 VanDerWaalsContact OG1-OG 3.05Å
549	M	84.1	Confident	80.9	Confident	36 Å²	36	49.1 Å²	49.1	18%	0.177	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140	176.7	-62.7	166.6	64.8	0	0	108.3	G530 L531 I546 A555 E556 L561 I563	G530-M549 CarbonylContact O-C 3.57Å; G530-M549 VanDerWaalsContact O-CA 3.28Å; G530-M549 WeakPolarHBondContact O-CA 3.44Å; L531-M549 HydrophobicContact CD2-CG 3.9Å; I546-M549 HydrophobicContact CG2-CG 4.15Å; M549-A555 HydrophobicContact CE-CB 4Å; M549-A555 WeakPolarHBondContact CE-O 3.49Å; M549-E556 VanDerWaalsContact CE-CA 3.41Å; M549-E556 HydrophobicContact CE-CB 4.1Å; M549-L561 HydrophobicContact CE-CB 4.46Å; M549-I563 HydrophobicContact CG-CG1 4.45Å; M549-I563 HydrophobicContact SD-CG1 4.4Å
550	T	80.8	Confident	82.3	Confident	52 Å²	52	50.8 Å²	50.8	32%	0.319	28%	0.279	S	S	.	.			trans	-77.8	129.4	178	-56.2	0	0	0	0	109	Y527 G530 G552 G553	Y527-T550 HydrophobicContact CD1-CG2 3.72Å; Y527-T550 HydrophobicContact CE1-CG2 4.22Å; Y527-T550 HydrophobicContact CG-CG2 4.42Å; G530-T550 PolarHBondContact O-N 3.02Å; T550-G552 PolarHBondContact O-N 3.47Å; T550-G553 WeakPolarHBondContact O-CA 3.33Å; T550-G553 PolarHBondContact O-N 3.28Å
551	V	75.7	Confident	83.9	Confident	66 Å²	66	49.9 Å²	49.9	40%	0.4	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	128.8	179.4	178.1	0	0	0	0	111.3	G553 E556	V551-G553 PolarHBondContact O-N 2.94Å; V551-E556 WeakPolarHBondContact CA-OE2 3.43Å; V551-E556 WeakPolarHBondContact CG2-OE1 3.42Å
552	G	77	Confident	84.9	Confident	35 Å²	35	52.2 Å²	52.2	36%	0.361	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	3.9	-170.5	0	0	0	0	0	114.5	T550 E556 L557	T550-G552 PolarHBondContact O-N 3.47Å; G552-E556 PolarHBondContact N-OE2 3.19Å; G552-L557 WeakPolarHBondContact O-CD1 3.39Å
553	G	85.1	Confident	85.1	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-79.1	160.5	177.5	0	0	0	0	0	112.8	T550 V551 A555 E556 L557	T550-G553 WeakPolarHBondContact O-CA 3.33Å; T550-G553 PolarHBondContact O-N 3.28Å; V551-G553 PolarHBondContact O-N 2.94Å; G553-A555 VanDerWaalsContact C-N 3.29Å; G553-A555 PolarHBondContact O-N 3.44Å; G553-A555 VanDerWaalsContact O-N 3.16Å; G553-E556 PolarHBondContact O-N 3.44Å; G553-L557 PolarHBondContact O-N 3.32Å
554	P	88.1	Confident	84.8	Confident	22 Å²	22	46.3 Å²	46.3	14%	0.143	25%	0.249	C	C	.	.	H	α-helix	trans	-53.6	-38.9	-176	-31.4	38.4	0	0	0	115	V522 D524 G528 D558	V522-P554 WeakPolarHBondContact O-CB 3.13Å; V522-P554 WeakPolarHBondContact O-CG 3.33Å; D524-P554 HydrophobicContact CB-CG 3.61Å; G528-P554 WeakPolarHBondContact O-CG 3.43Å; P554-D558 VanDerWaalsContact O-CB 3.32Å; P554-D558 WeakPolarHBondContact O-CB 3.28Å; P554-D558 PolarHBondContact O-N 3.01Å
555	A	89	Confident	84.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-36.4	178.3	0	0	0	0	0	114.1	L521 L529 L531 M549 G553 G559 L561	L521-A555 HydrophobicContact CD1-CB 3.75Å; L529-A555 WeakPolarHBondContact O-CB 3.23Å; L529-A555 PolarHBondContact O-N 3.08Å; L531-A555 HydrophobicContact CD1-CB 4.31Å; L531-A555 HydrophobicContact CD2-CB 3.3Å; L531-A555 HydrophobicContact CG-CB 3.58Å; M549-A555 HydrophobicContact CE-CB 4Å; M549-A555 WeakPolarHBondContact CE-O 3.49Å; G553-A555 VanDerWaalsContact C-N 3.29Å; G553-A555 PolarHBondContact O-N 3.44Å; G553-A555 VanDerWaalsContact O-N 3.16Å; A555-G559 PolarHBondContact O-N 2.95Å; A555-L561 HydrophobicContact CB-CD1 4.28Å
556	E	87.1	Confident	84.8	Confident	78 Å²	78	47.3 Å²	47.3	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-72	-42.5	176.4	-169.3	-169.9	-122.9	0	0	110.8	M549 V551 G552 G553 D558 G559	M549-E556 VanDerWaalsContact CE-CA 3.41Å; M549-E556 HydrophobicContact CE-CB 4.1Å; V551-E556 WeakPolarHBondContact CA-OE2 3.43Å; V551-E556 WeakPolarHBondContact CG2-OE1 3.42Å; G552-E556 PolarHBondContact N-OE2 3.19Å; G553-E556 PolarHBondContact O-N 3.44Å; E556-D558 VanDerWaalsContact C-N 3.29Å; E556-D558 PolarHBondContact O-N 2.78Å; E556-G559 PolarHBondContact O-N 3.01Å; E556-G559 VanDerWaalsContact O-N 3.16Å
557	L	84.7	Confident	85	Confident	135 Å²	135	47.4 Å²	47.4	71%	0.707	25%	0.254	S	S	*	.	H	α-helix	trans	-63.8	-32.8	176.9	-67.2	174.6	0	0	0	113	G552 G553	G552-L557 WeakPolarHBondContact O-CD1 3.39Å; G553-L557 PolarHBondContact O-N 3.32Å
558	D	90.2	Very high	85.4	Confident	46 Å²	46	41.7 Å²	41.7	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-71.2	-30	175.6	-174.7	79.6	0	0	0	112.9	L521 P554 E556 R560	L521-D558 HydrophobicContact CD2-CB 3.36Å; P554-D558 VanDerWaalsContact O-CB 3.32Å; P554-D558 WeakPolarHBondContact O-CB 3.28Å; P554-D558 PolarHBondContact O-N 3.01Å; E556-D558 VanDerWaalsContact C-N 3.29Å; E556-D558 PolarHBondContact O-N 2.78Å; D558-R560 PolarHBondContact O-N 2.95Å; D558-R560 IonicContact OD1-CZ 3.32Å; D558-R560 VanDerWaalsContact OD1-CZ 3.32Å; D558-R560 IonicContact OD1-NE 2.9Å; D558-R560 PolarHBondContact OD1-NE 3.06Å; D558-R560 IonicContact OD1-NH2 3.53Å; D558-R560 PolarHBondContact OD1-NH2 3.2Å; D558-R560 VanDerWaalsContact OD2-CB 3.31Å; D558-R560 WeakPolarHBondContact OD2-CB 3.38Å; D558-R560 WeakPolarHBondContact OD2-CG 3.44Å; D558-R560 IonicContact OD2-CZ 3.73Å; D558-R560 IonicContact OD2-NE 3.4Å; D558-R560 PolarHBondContact OD2-NE 3.13Å; D558-R560 IonicContact OD2-NH2 2.69Å; D558-R560 PolarHBondContact OD2-NH2 2.85Å
559	G	84.2	Confident	86	Confident	51 Å²	51	40.1 Å²	40.1	53%	0.526	23%	0.225	S	C	.	.			trans	67.7	-11.2	173.6	0	0	0	0	0	116.6	A555 E556	A555-G559 PolarHBondContact O-N 2.95Å; E556-G559 PolarHBondContact O-N 3.01Å; E556-G559 VanDerWaalsContact O-N 3.16Å
560	R	86.5	Confident	86.5	Confident	107 Å²	107	38.6 Å²	38.6	40%	0.404	22%	0.217	S	C	.	.			trans	-75.2	-29.8	-178.5	-65	179.4	-76.8	-170.3	-8.9	113.1	V517 A519 D558 R600	V517-R560 HydrophobicContact CG1-CB 4.22Å; A519-R560 HydrophobicContact CB-CB 4.32Å; D558-R560 PolarHBondContact O-N 2.95Å; D558-R560 IonicContact OD1-CZ 3.32Å; D558-R560 VanDerWaalsContact OD1-CZ 3.32Å; D558-R560 IonicContact OD1-NE 2.9Å; D558-R560 PolarHBondContact OD1-NE 3.06Å; D558-R560 IonicContact OD1-NH2 3.53Å; D558-R560 PolarHBondContact OD1-NH2 3.2Å; D558-R560 VanDerWaalsContact OD2-CB 3.31Å; D558-R560 WeakPolarHBondContact OD2-CB 3.38Å; D558-R560 WeakPolarHBondContact OD2-CG 3.44Å; D558-R560 IonicContact OD2-CZ 3.73Å; D558-R560 IonicContact OD2-NE 3.4Å; D558-R560 PolarHBondContact OD2-NE 3.13Å; D558-R560 IonicContact OD2-NH2 2.69Å; D558-R560 PolarHBondContact OD2-NH2 2.85Å; R560-R600 PolarHBondContact O-NH2 3.46Å
561	L	89.9	Confident	87	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	22%	0.215	C	C	.	.			trans	-87.4	148.4	-179.7	-59.6	180	0	0	0	111.3	A519 L521 L531 I546 M549 A555 L596 V598	A519-L561 HydrophobicContact CB-CD1 4.25Å; A519-L561 HydrophobicContact CB-CD2 3.82Å; A519-L561 HydrophobicContact CB-CG 3.87Å; L521-L561 HydrophobicContact CD1-CD1 3.86Å; L531-L561 HydrophobicContact CD1-CD1 3.87Å; L531-L561 HydrophobicContact CD2-CD1 4.16Å; I546-L561 HydrophobicContact CD1-CB 4.02Å; I546-L561 HydrophobicContact CD1-CD1 4.19Å; I546-L561 HydrophobicContact CD1-CD2 4.38Å; I546-L561 HydrophobicContact CD1-CG 4.44Å; M549-L561 HydrophobicContact CE-CB 4.46Å; A555-L561 HydrophobicContact CB-CD1 4.28Å; L561-L596 HydrophobicContact CD1-CD1 3.95Å; L561-V598 HydrophobicContact CD2-CG1 3.86Å; L561-V598 HydrophobicContact CD2-CG2 3.85Å
562	K	84.3	Confident	87.5	Confident	90 Å²	90	41.4 Å²	41.4	39%	0.391	23%	0.228	S	C	.	.			trans	-133.5	155.4	178.9	-69.4	-172.4	-178.5	-166.7	0	111.7	G564 D565 Y605	K562-G564 PolarHBondContact O-N 2.88Å; K562-D565 PolarHBondContact N-OD2 3.18Å; K562-D565 WeakPolarHBondContact O-CB 3.31Å; K562-D565 PolarHBondContact O-N 3.25Å; K562-Y605 HydrophobicContact CB-CE1 3.7Å; K562-Y605 WeakPolarHBondContact CB-OH 3.38Å; K562-Y605 HydrophobicContact CD-CD1 3.94Å; K562-Y605 HydrophobicContact CD-CE1 3.72Å; K562-Y605 HydrophobicContact CG-CE1 4.32Å
563	I	82.5	Confident	88	Confident	63 Å²	63	45.2 Å²	45.2	32%	0.323	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	119.3	174.4	-62.1	173.7	0	0	0	109.5	R547 M549 Y605 I723 W725	R547-I563 VanDerWaalsContact O-CG2 3.27Å; R547-I563 WeakPolarHBondContact O-CG2 3.31Å; M549-I563 HydrophobicContact CG-CG1 4.45Å; M549-I563 HydrophobicContact SD-CG1 4.4Å; I563-Y605 WeakPolarHBondContact O-CE1 3.42Å; I563-Y605 PolarHBondContact O-OH 2.97Å; I563-I723 HydrophobicContact CG2-CD1 4.18Å; I563-W725 HydrophobicContact CG2-CZ2 4.24Å
564	G	78.5	Confident	88.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.2	-11.1	-172.6	0	0	0	0	0	114.2	I546 K562	I546-G564 PolarHBondContact O-N 2.76Å; K562-G564 PolarHBondContact O-N 2.88Å
565	D	89.6	Confident	88.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-71.5	135	178.2	-67.1	-14.1	0	0	0	112.1	Y545 I546 K562 V598 R600 Y605	Y545-D565 CarbonylContact C-O 3.47Å; Y545-D565 VanDerWaalsContact CA-O 3.3Å; Y545-D565 WeakPolarHBondContact CA-O 3.45Å; I546-D565 HydrophobicContact CD1-CB 4.07Å; I546-D565 HydrophobicContact CG1-CB 4.41Å; I546-D565 PolarHBondContact N-O 2.93Å; K562-D565 PolarHBondContact N-OD2 3.18Å; K562-D565 WeakPolarHBondContact O-CB 3.31Å; K562-D565 PolarHBondContact O-N 3.25Å; D565-V598 HydrophobicContact CB-CB 3.96Å; D565-V598 HydrophobicContact CB-CG1 4.48Å; D565-V598 HydrophobicContact CB-CG2 3.88Å; D565-R600 WeakPolarHBondContact OD1-CB 3.4Å; D565-R600 WeakPolarHBondContact OD1-CG 3.43Å; D565-R600 IonicContact OD1-CZ 2.67Å; D565-R600 IonicContact OD1-NE 3.86Å; D565-R600 PolarHBondContact OD1-NE 3.21Å; D565-R600 IonicContact OD1-NH2 3.2Å; D565-R600 IonicContact OD2-CZ 3.43Å; D565-R600 IonicContact OD2-NE 3.65Å; D565-R600 PolarHBondContact OD2-NE 2.61Å; D565-R600 IonicContact OD2-NH2 3.32Å; D565-R600 PolarHBondContact OD2-NH2 3.22Å; D565-Y605 PolarHBondContact OD1-OH 3.42Å
566	K	90.8	Very high	87.8	Confident	22 Å²	22	51.6 Å²	51.6	10%	0.096	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.3	173.4	-179.4	179	161.8	176.4	0	110.1	K542 V544 Y545 T568 V598 L599	K542-K566 PolarHBondContact O-NZ 2.82Å; V544-K566 CarbonylContact O-C 3.53Å; V544-K566 WeakPolarHBondContact O-CA 3.36Å; Y545-K566 HydrophobicContact CD1-CB 3.83Å; Y545-K566 HydrophobicContact CE1-CB 3.5Å; Y545-K566 HydrophobicContact CE1-CG 4.13Å; Y545-K566 HydrophobicContact CE2-CG 4.49Å; K566-T568 HydrophobicContact CG-CG2 4.49Å; K566-T568 PolarHBondContact O-N 3.13Å; K566-V598 CarbonylContact O-C 3.59Å; K566-V598 WeakPolarHBondContact O-CA 3.43Å; K566-V598 WeakPolarHBondContact O-CB 3.08Å; K566-L599 HydrophobicContact CB-CB 4.28Å; K566-L599 PolarHBondContact N-O 3Å; K566-L599 PolarHBondContact O-N 3.46Å
567	V	92.8	Very high	87.4	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.6	173.8	-161	0	0	0	0	109.6	L533 V544 I546 I570 L575 L596 V598	L533-V567 HydrophobicContact CD2-CG2 3.77Å; V544-V567 PolarHBondContact O-N 2.94Å; I546-V567 HydrophobicContact CG1-CG2 4.2Å; V567-I570 HydrophobicContact CG1-CD1 4.44Å; V567-I570 HydrophobicContact CG1-CG1 4.16Å; V567-L575 HydrophobicContact CB-CD1 3.73Å; V567-L575 HydrophobicContact CG1-CD1 3.45Å; V567-L575 VanDerWaalsContact CG1-CD1 3.45Å; V567-L596 HydrophobicContact CG1-CD2 4.27Å; V567-V598 HydrophobicContact CG1-CG1 4.43Å; V567-V598 HydrophobicContact CG2-CG1 4.37Å
568	T	92.1	Very high	87.5	Confident	22 Å²	22	51.8 Å²	51.8	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-29.1	-175.5	58.6	0	0	0	0	113.3	K566 L575 R597 L599	K566-T568 HydrophobicContact CG-CG2 4.49Å; K566-T568 PolarHBondContact O-N 3.13Å; T568-L575 PolarHBondContact O-N 2.65Å; T568-R597 WeakPolarHBondContact CA-O 3.34Å; T568-R597 PolarHBondContact N-O 3.27Å; T568-R597 PolarHBondContact OG1-O 2.96Å; T568-L599 HydrophobicContact CG2-CB 3.57Å
569	A	92.9	Very high	87.3	Confident	10 Å²	10	51.6 Å²	51.6	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.2	173.5	0	0	0	0	0	112.2	K573 R597	A569-K573 CarbonylContact C-O 3.55Å; A569-K573 WeakPolarHBondContact CA-O 3.26Å; A569-K573 WeakPolarHBondContact CB-O 3.44Å; A569-R597 HydrophobicContact CB-CB 4.01Å; A569-R597 PolarHBondContact N-O 3.24Å; A569-R597 VanDerWaalsContact N-O 3.1Å; A569-R597 PolarHBondContact O-N 2.77Å
570	I	94.1	Very high	87.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.9	175	-52.6	-168.7	0	0	0	108	V567 D572 K573 L575 A583 M586 V587 V594 S595 L596	V567-I570 HydrophobicContact CG1-CD1 4.44Å; V567-I570 HydrophobicContact CG1-CG1 4.16Å; I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 2.9Å; I570-K573 PolarHBondContact N-O 3.47Å; I570-K573 WeakPolarHBondContact O-CB 3.3Å; I570-K573 PolarHBondContact O-N 2.83Å; I570-L575 HydrophobicContact CD1-CD1 3.84Å; I570-L575 HydrophobicContact CG1-CD1 3.75Å; I570-L575 HydrophobicContact CG1-CG 4.33Å; I570-A583 HydrophobicContact CD1-CB 4.05Å; I570-A583 WeakPolarHBondContact CD1-O 3.36Å; I570-M586 HydrophobicContact CB-CB 4.44Å; I570-M586 HydrophobicContact CD1-CB 4.48Å; I570-M586 HydrophobicContact CD1-CE 4.43Å; I570-M586 HydrophobicContact CG2-CB 4.36Å; I570-V587 HydrophobicContact CD1-CG2 3.72Å; I570-V587 HydrophobicContact CG2-CG2 4.14Å; I570-V594 HydrophobicContact CG2-CG1 3.66Å; I570-S595 CarbonylContact C-O 3.54Å; I570-S595 WeakPolarHBondContact CA-O 3.41Å; I570-L596 HydrophobicContact CB-CD2 4.29Å; I570-L596 HydrophobicContact CD1-CD2 3.99Å; I570-L596 HydrophobicContact CG1-CD2 3.71Å; I570-L596 HydrophobicContact CG2-CD2 4.08Å
571	N	92.1	Very high	87.7	Confident	53 Å²	53	54.9 Å²	54.9	28%	0.283	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	51.3	-175.7	-68.9	-4.2	0	0	0	112.4	K573 S590 V594 S595	N571-K573 PolarHBondContact O-N 2.8Å; N571-S590 WeakPolarHBondContact ND2-CB 3.45Å; N571-V594 WeakPolarHBondContact OD1-CA 3.3Å; N571-S595 PolarHBondContact N-O 3.2Å; N571-S595 PolarHBondContact OD1-N 2.96Å
572	D	85.1	Confident	87.7	Confident	124 Å²	124	57.4 Å²	57.4	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	3.4	-178.4	-54.6	-54.2	0	0	0	116.1	I570 R597	I570-D572 VanDerWaalsContact C-N 3.28Å; I570-D572 PolarHBondContact O-N 2.9Å; D572-R597 IonicContact OD1-NH2 3.46Å
573	K	89.3	Confident	87.9	Confident	115 Å²	115	53.1 Å²	53.1	50%	0.5	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121	170.6	-60.6	178.7	-178.2	175.4	0	110.4	A569 I570 N571 M586	A569-K573 CarbonylContact C-O 3.55Å; A569-K573 WeakPolarHBondContact CA-O 3.26Å; A569-K573 WeakPolarHBondContact CB-O 3.44Å; I570-K573 PolarHBondContact N-O 3.47Å; I570-K573 WeakPolarHBondContact O-CB 3.3Å; I570-K573 PolarHBondContact O-N 2.83Å; N571-K573 PolarHBondContact O-N 2.8Å; K573-M586 HydrophobicContact CB-SD 3.98Å; K573-M586 HydrophobicContact CD-SD 4.28Å
574	S	88.5	Confident	88.3	Confident	56 Å²	56	52.6 Å²	52.6	39%	0.392	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.4	178.1	177.1	0	0	0	0	112.7	D576 R578	S574-D576 WeakPolarHBondContact OG-CB 3.3Å; S574-D576 PolarHBondContact OG-N 2.87Å; S574-D576 VanDerWaalsContact OG-N 3.08Å; S574-D576 PolarHBondContact OG-OD2 2.78Å; S574-R578 WeakPolarHBondContact O-CD 3.5Å; S574-R578 PolarHBondContact O-NE 2.66Å; S574-R578 VanDerWaalsContact O-NE 3.09Å
575	L	87	Confident	88.8	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.042	30%	0.304	C	S	.	.			trans	-93.1	1.8	172.3	-90	171.2	0	0	0	113.7	V567 T568 I570 G577 R578 A583 M586	V567-L575 HydrophobicContact CB-CD1 3.73Å; V567-L575 HydrophobicContact CG1-CD1 3.45Å; V567-L575 VanDerWaalsContact CG1-CD1 3.45Å; T568-L575 PolarHBondContact O-N 2.65Å; I570-L575 HydrophobicContact CD1-CD1 3.84Å; I570-L575 HydrophobicContact CG1-CD1 3.75Å; I570-L575 HydrophobicContact CG1-CG 4.33Å; L575-G577 PolarHBondContact O-N 2.8Å; L575-R578 HydrophobicContact CD2-CB 3.85Å; L575-R578 WeakPolarHBondContact O-CB 3.39Å; L575-R578 PolarHBondContact O-N 2.77Å; L575-A583 HydrophobicContact CD1-CB 3.92Å; L575-A583 HydrophobicContact CD2-CB 3.62Å; L575-A583 HydrophobicContact CG-CB 4.42Å; L575-M586 HydrophobicContact CD2-CE 3.18Å; L575-M586 HydrophobicContact CG-CE 3.63Å
576	D	81.3	Confident	88.9	Confident	93 Å²	93	56 Å²	56	50%	0.497	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	125.9	179.2	-74.5	-40.2	0	0	0	111.5	S574 R578	S574-D576 WeakPolarHBondContact OG-CB 3.3Å; S574-D576 PolarHBondContact OG-N 2.87Å; S574-D576 VanDerWaalsContact OG-N 3.08Å; S574-D576 PolarHBondContact OG-OD2 2.78Å; D576-R578 PolarHBondContact O-N 3.4Å
577	G	79.3	Confident	88.8	Confident	93 Å²	93	56.3 Å²	56.3	96%	0.959	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-4.3	-176.4	0	0	0	0	0	115.3	L575	L575-G577 PolarHBondContact O-N 2.8Å
578	R	86.9	Confident	88.6	Confident	123 Å²	123	65.3 Å²	65.3	46%	0.464	35%	0.345	S	S	.	.			trans	-89	157.1	176.9	-59.2	-170.3	-173.3	-121.6	-2.2	111.4	S574 L575 D576 D582	S574-R578 WeakPolarHBondContact O-CD 3.5Å; S574-R578 PolarHBondContact O-NE 2.66Å; S574-R578 VanDerWaalsContact O-NE 3.09Å; L575-R578 HydrophobicContact CD2-CB 3.85Å; L575-R578 WeakPolarHBondContact O-CB 3.39Å; L575-R578 PolarHBondContact O-N 2.77Å; D576-R578 PolarHBondContact O-N 3.4Å; R578-D582 HydrophobicContact CB-CB 3.88Å
579	S	86.3	Confident	88.3	Confident	42 Å²	42	71.3 Å²	71.3	29%	0.294	37%	0.371	S	S	.	.			trans	-88.9	168.5	178.2	69.7	0	0	0	0	112.3	L581 D582 A583	S579-L581 PolarHBondContact O-N 2.69Å; S579-L581 PolarHBondContact OG-N 3.07Å; S579-D582 WeakPolarHBondContact CB-OD2 3.12Å; S579-D582 PolarHBondContact N-OD2 3.09Å; S579-D582 WeakPolarHBondContact O-CB 3.5Å; S579-D582 PolarHBondContact O-N 2.73Å; S579-D582 VanDerWaalsContact O-N 3.14Å; S579-D582 PolarHBondContact OG-N 2.86Å; S579-D582 PolarHBondContact OG-OD2 2.92Å; S579-A583 PolarHBondContact O-N 3.32Å; S579-A583 VanDerWaalsContact O-N 3.1Å
580	R	89.7	Confident	87.9	Confident	117 Å²	117	71.8 Å²	71.8	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-53.8	-38.1	168.1	176.4	-174.4	61.2	158.3	4.3	112.1	L533 D535 V544 D582 A583 V584	L533-R580 HydrophobicContact CB-CG 3.95Å; L533-R580 WeakPolarHBondContact O-CD 3.45Å; D535-R580 VanDerWaalsContact CG-CB 3.46Å; D535-R580 WeakPolarHBondContact OD1-CB 3.25Å; D535-R580 PolarHBondContact OD1-N 2.87Å; D535-R580 WeakPolarHBondContact OD2-CB 3.38Å; D535-R580 IonicContact OD2-NE 3.71Å; V544-R580 HydrophobicContact CG1-CB 4.22Å; V544-R580 HydrophobicContact CG1-CG 4.45Å; V544-R580 HydrophobicContact CG2-CB 4.4Å; R580-D582 VanDerWaalsContact C-N 3.3Å; R580-D582 PolarHBondContact O-N 2.93Å; R580-A583 WeakPolarHBondContact O-CB 3.42Å; R580-A583 PolarHBondContact O-N 3.31Å; R580-V584 HydrophobicContact CG-CG2 4.49Å; R580-V584 WeakPolarHBondContact O-CG2 3.49Å; R580-V584 PolarHBondContact O-N 2.89Å
581	L	88.4	Confident	87.3	Confident	111 Å²	111	78.1 Å²	78.1	58%	0.581	41%	0.408	S	S	*	.	H	α-helix	trans	-62.9	-41.3	-179.9	-174.5	62.8	0	0	0	110.7	S579 A583 V584 N585	S579-L581 PolarHBondContact O-N 2.69Å; S579-L581 PolarHBondContact OG-N 3.07Å; L581-A583 VanDerWaalsContact C-N 3.35Å; L581-A583 PolarHBondContact O-N 3.46Å; L581-V584 PolarHBondContact O-N 3.11Å; L581-N585 VanDerWaalsContact O-CG 3.27Å; L581-N585 PolarHBondContact O-N 2.97Å; L581-N585 PolarHBondContact O-ND2 3.45Å
582	D	89.3	Confident	86.9	Confident	58 Å²	58	78.7 Å²	78.7	31%	0.31	42%	0.42	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175.3	-56.3	-52.9	0	0	0	111.7	R578 S579 R580 N585 M586	R578-D582 HydrophobicContact CB-CB 3.88Å; S579-D582 WeakPolarHBondContact CB-OD2 3.12Å; S579-D582 PolarHBondContact N-OD2 3.09Å; S579-D582 WeakPolarHBondContact O-CB 3.5Å; S579-D582 PolarHBondContact O-N 2.73Å; S579-D582 VanDerWaalsContact O-N 3.14Å; S579-D582 PolarHBondContact OG-N 2.86Å; S579-D582 PolarHBondContact OG-OD2 2.92Å; R580-D582 VanDerWaalsContact C-N 3.3Å; R580-D582 PolarHBondContact O-N 2.93Å; D582-N585 PolarHBondContact O-N 2.77Å; D582-M586 WeakPolarHBondContact O-CG 3.45Å; D582-M586 PolarHBondContact O-N 3Å
583	A	89.9	Confident	87.1	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-58.8	-47.2	174.2	0	0	0	0	0	111.7	L533 V544 I570 L575 S579 R580 L581 N585 M586 V587	L533-A583 HydrophobicContact CD1-CB 4.09Å; V544-A583 HydrophobicContact CG1-CB 4.23Å; I570-A583 HydrophobicContact CD1-CB 4.05Å; I570-A583 WeakPolarHBondContact CD1-O 3.36Å; L575-A583 HydrophobicContact CD1-CB 3.92Å; L575-A583 HydrophobicContact CD2-CB 3.62Å; L575-A583 HydrophobicContact CG-CB 4.42Å; S579-A583 PolarHBondContact O-N 3.32Å; S579-A583 VanDerWaalsContact O-N 3.1Å; R580-A583 WeakPolarHBondContact O-CB 3.42Å; R580-A583 PolarHBondContact O-N 3.31Å; L581-A583 VanDerWaalsContact C-N 3.35Å; L581-A583 PolarHBondContact O-N 3.46Å; A583-N585 VanDerWaalsContact C-N 3.35Å; A583-N585 PolarHBondContact O-N 3.1Å; A583-M586 PolarHBondContact O-N 3.44Å; A583-V587 WeakPolarHBondContact O-CG2 3.49Å; A583-V587 PolarHBondContact O-N 2.99Å
584	V	89.8	Confident	87.2	Confident	51 Å²	51	70 Å²	70	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-41.1	178.1	173.1	0	0	0	0	111.2	R580 L581 V587 R588	R580-V584 HydrophobicContact CG-CG2 4.49Å; R580-V584 WeakPolarHBondContact O-CG2 3.49Å; R580-V584 PolarHBondContact O-N 2.89Å; L581-V584 PolarHBondContact O-N 3.11Å; V584-V587 PolarHBondContact O-N 3.42Å; V584-R588 WeakPolarHBondContact O-CG 3.49Å; V584-R588 PolarHBondContact O-N 3.4Å
585	N	90.4	Very high	87.4	Confident	56 Å²	56	69 Å²	69	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-42.7	177.4	-69.4	-16.4	0	0	0	111.7	L581 D582 A583 V587 R588 E589	L581-N585 VanDerWaalsContact O-CG 3.27Å; L581-N585 PolarHBondContact O-N 2.97Å; L581-N585 PolarHBondContact O-ND2 3.45Å; D582-N585 PolarHBondContact O-N 2.77Å; A583-N585 VanDerWaalsContact C-N 3.35Å; A583-N585 PolarHBondContact O-N 3.1Å; N585-V587 VanDerWaalsContact C-N 3.31Å; N585-V587 PolarHBondContact O-N 3.32Å; N585-R588 PolarHBondContact O-N 3.3Å; N585-E589 WeakPolarHBondContact O-CB 3.1Å; N585-E589 WeakPolarHBondContact O-CG 3.48Å; N585-E589 PolarHBondContact O-N 3.23Å
586	M	90.9	Very high	87.6	Confident	15 Å²	15	68.9 Å²	68.9	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-34.4	174.8	-71.2	-174	-66.7	0	0	113	I570 K573 L575 D582 A583 S590	I570-M586 HydrophobicContact CB-CB 4.44Å; I570-M586 HydrophobicContact CD1-CB 4.48Å; I570-M586 HydrophobicContact CD1-CE 4.43Å; I570-M586 HydrophobicContact CG2-CB 4.36Å; K573-M586 HydrophobicContact CB-SD 3.98Å; K573-M586 HydrophobicContact CD-SD 4.28Å; L575-M586 HydrophobicContact CD2-CE 3.18Å; L575-M586 HydrophobicContact CG-CE 3.63Å; D582-M586 WeakPolarHBondContact O-CG 3.45Å; D582-M586 PolarHBondContact O-N 3Å; A583-M586 PolarHBondContact O-N 3.44Å; M586-S590 PolarHBondContact O-N 3.11Å; M586-S590 PolarHBondContact O-OG 3.03Å; M586-S590 VanDerWaalsContact O-OG 3.06Å
587	V	89.8	Confident	88.1	Confident	29 Å²	29	69.6 Å²	69.6	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-70.1	-33.4	171.5	176.1	0	0	0	0	111.3	K523 L529 I570 A583 V584 N585 S590 V594	K523-V587 WeakPolarHBondContact CE-O 3.49Å; K523-V587 PolarHBondContact NZ-O 3.11Å; L529-V587 HydrophobicContact CD1-CG1 3.65Å; L529-V587 HydrophobicContact CD1-CG2 4.11Å; L529-V587 HydrophobicContact CG-CG1 4.03Å; I570-V587 HydrophobicContact CD1-CG2 3.72Å; I570-V587 HydrophobicContact CG2-CG2 4.14Å; A583-V587 WeakPolarHBondContact O-CG2 3.49Å; A583-V587 PolarHBondContact O-N 2.99Å; V584-V587 PolarHBondContact O-N 3.42Å; N585-V587 VanDerWaalsContact C-N 3.31Å; N585-V587 PolarHBondContact O-N 3.32Å; V587-S590 WeakPolarHBondContact CA-OG 3.38Å; V587-S590 PolarHBondContact O-OG 2.93Å; V587-V594 HydrophobicContact CG2-CG1 4.42Å
588	R	86.6	Confident	88.7	Confident	193 Å²	193	65.2 Å²	65.2	73%	0.728	33%	0.326	S	S	*	.	H	α-helix	trans	-71.6	-39.9	177	-75	176.2	175.8	-171.9	-2.4	112.6	V584 N585 S590	V584-R588 WeakPolarHBondContact O-CG 3.49Å; V584-R588 PolarHBondContact O-N 3.4Å; N585-R588 PolarHBondContact O-N 3.3Å; R588-S590 VanDerWaalsContact C-N 3.3Å; R588-S590 PolarHBondContact O-N 2.82Å
589	E	87	Confident	88.8	Confident	147 Å²	147	60.5 Å²	60.5	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-77.7	-9.4	-177.8	-70	170.5	-169.4	0	0	114.5	N585	N585-E589 WeakPolarHBondContact O-CB 3.1Å; N585-E589 WeakPolarHBondContact O-CG 3.48Å; N585-E589 PolarHBondContact O-N 3.23Å
590	S	84.4	Confident	88.6	Confident	20 Å²	20	60 Å²	60	14%	0.14	30%	0.302	C	S	.	.	S	Bend	trans	-82.7	165.3	179.3	41	0	0	0	0	113.1	K523 N571 M586 V587 R588 V594	K523-S590 VanDerWaalsContact NZ-C 3.35Å; K523-S590 PolarHBondContact NZ-O 2.59Å; K523-S590 PolarHBondContact NZ-OG 3.46Å; K523-S590 VanDerWaalsContact NZ-OG 3.11Å; N571-S590 WeakPolarHBondContact ND2-CB 3.45Å; M586-S590 PolarHBondContact O-N 3.11Å; M586-S590 PolarHBondContact O-OG 3.03Å; M586-S590 VanDerWaalsContact O-OG 3.06Å; V587-S590 WeakPolarHBondContact CA-OG 3.38Å; V587-S590 PolarHBondContact O-OG 2.93Å; R588-S590 VanDerWaalsContact C-N 3.3Å; R588-S590 PolarHBondContact O-N 2.82Å; S590-V594 WeakPolarHBondContact OG-CG2 3.37Å
591	D	81.4	Confident	87.6	Confident	136 Å²	136	54.5 Å²	54.5	73%	0.727	28%	0.281	S	S	*	.			trans	-65.5	-174.9	172.5	-62	-45.2	0	0	0	112.5	K523 S593	K523-D591 WeakPolarHBondContact CE-O 3.47Å; K523-D591 PolarHBondContact NZ-O 2.99Å; D591-S593 PolarHBondContact O-N 3.39Å; D591-S593 VanDerWaalsContact O-N 3.17Å
592	A	84.4	Confident	86.3	Confident	66 Å²	66	52.8 Å²	52.8	55%	0.545	27%	0.267	S	S	.	.	S	Bend	trans	-59	-24.6	177.3	0	0	0	0	0	113.2	V522 K523	V522-A592 CarbonylContact C-O 3.53Å; V522-A592 WeakPolarHBondContact CA-O 3.36Å; K523-A592 PolarHBondContact N-O 3.1Å
593	S	88.3	Confident	84.5	Confident	56 Å²	56	52.6 Å²	52.6	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.1	178.1	-171.8	0	0	0	0	111	T520 D591	T520-S593 VanDerWaalsContact CG2-OG 3.23Å; T520-S593 WeakPolarHBondContact CG2-OG 3.29Å; D591-S593 PolarHBondContact O-N 3.39Å; D591-S593 VanDerWaalsContact O-N 3.17Å
594	V	92.4	Very high	82.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.1	-178.1	-172.7	0	0	0	0	110.2	T520 L521 K523 L529 I570 N571 V587 S590 L596	T520-V594 CarbonylContact C-O 3.53Å; T520-V594 WeakPolarHBondContact CA-O 3.35Å; L521-V594 PolarHBondContact N-O 3.4Å; L521-V594 PolarHBondContact O-N 2.91Å; K523-V594 HydrophobicContact CD-CG2 4.34Å; K523-V594 HydrophobicContact CG-CG2 4.15Å; L529-V594 HydrophobicContact CD1-CB 4.06Å; L529-V594 HydrophobicContact CD1-CG1 4.04Å; L529-V594 HydrophobicContact CD1-CG2 4.3Å; L529-V594 HydrophobicContact CD2-CB 4.2Å; L529-V594 HydrophobicContact CD2-CG2 4.1Å; I570-V594 HydrophobicContact CG2-CG1 3.66Å; N571-V594 WeakPolarHBondContact OD1-CA 3.3Å; V587-V594 HydrophobicContact CG2-CG1 4.42Å; S590-V594 WeakPolarHBondContact OG-CG2 3.37Å; V594-L596 HydrophobicContact CG1-CD2 4.12Å; V594-L596 HydrophobicContact CG1-CG 4.39Å
595	S	91.5	Very high	81	Confident	36 Å²	36	54.3 Å²	54.3	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.7	172	-173.9	0	0	0	0	110.3	A519 I570 N571	A519-S595 CarbonylContact O-C 3.55Å; I570-S595 CarbonylContact C-O 3.54Å; I570-S595 WeakPolarHBondContact CA-O 3.41Å; N571-S595 PolarHBondContact N-O 3.2Å; N571-S595 PolarHBondContact OD1-N 2.96Å
596	L	92.4	Very high	78.4	Confident	4 Å²	4	56 Å²	56	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.4	175.4	-63.4	175.6	0	0	0	109.7	S518 A519 L521 L529 L531 L561 V567 I570 V594	S518-L596 CarbonylContact C-O 3.52Å; S518-L596 VanDerWaalsContact CA-O 3.28Å; S518-L596 WeakPolarHBondContact CA-O 3.18Å; A519-L596 PolarHBondContact N-O 2.81Å; A519-L596 PolarHBondContact O-N 3.33Å; L521-L596 HydrophobicContact CD1-CD1 4.05Å; L529-L596 HydrophobicContact CD1-CD1 4.19Å; L531-L596 HydrophobicContact CD1-CD1 3.51Å; L561-L596 HydrophobicContact CD1-CD1 3.95Å; V567-L596 HydrophobicContact CG1-CD2 4.27Å; I570-L596 HydrophobicContact CB-CD2 4.29Å; I570-L596 HydrophobicContact CD1-CD2 3.99Å; I570-L596 HydrophobicContact CG1-CD2 3.71Å; I570-L596 HydrophobicContact CG2-CD2 4.08Å; V594-L596 HydrophobicContact CG1-CD2 4.12Å; V594-L596 HydrophobicContact CG1-CG 4.39Å
597	R	91.4	Very high	75.5	Confident	109 Å²	109	60 Å²	60	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	166.7	-168.1	-177.9	-62.9	178.8	4.9	108.7	I516 V517 T568 A569 D572	I516-R597 HydrophobicContact CG2-CG 3.59Å; V517-R597 WeakPolarHBondContact O-CA 3.48Å; T568-R597 WeakPolarHBondContact CA-O 3.34Å; T568-R597 PolarHBondContact N-O 3.27Å; T568-R597 PolarHBondContact OG1-O 2.96Å; A569-R597 HydrophobicContact CB-CB 4.01Å; A569-R597 PolarHBondContact N-O 3.24Å; A569-R597 VanDerWaalsContact N-O 3.1Å; A569-R597 PolarHBondContact O-N 2.77Å; D572-R597 IonicContact OD1-NH2 3.46Å
598	V	91.7	Very high	72.6	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.2	-178.4	-52.7	0	0	0	0	111.5	I516 V517 I546 L561 D565 K566 V567	I516-V598 CarbonylContact C-O 3.52Å; I516-V598 WeakPolarHBondContact CA-O 3.36Å; V517-V598 HydrophobicContact CB-CG2 3.75Å; V517-V598 HydrophobicContact CG1-CG2 4.47Å; V517-V598 PolarHBondContact N-O 2.79Å; V517-V598 PolarHBondContact O-N 3.25Å; I546-V598 HydrophobicContact CD1-CG1 4.47Å; L561-V598 HydrophobicContact CD2-CG1 3.86Å; L561-V598 HydrophobicContact CD2-CG2 3.85Å; D565-V598 HydrophobicContact CB-CB 3.96Å; D565-V598 HydrophobicContact CB-CG1 4.48Å; D565-V598 HydrophobicContact CB-CG2 3.88Å; K566-V598 CarbonylContact O-C 3.59Å; K566-V598 WeakPolarHBondContact O-CA 3.43Å; K566-V598 WeakPolarHBondContact O-CB 3.08Å; V567-V598 HydrophobicContact CG1-CG1 4.43Å; V567-V598 HydrophobicContact CG2-CG1 4.37Å
599	L	88.3	Confident	69.9	Low	24 Å²	24	66 Å²	66	13%	0.126	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.8	171.2	-178.6	159.6	0	0	0	107.8	Y514 D515 K566 T568 L601	Y514-L599 HydrophobicContact CD1-CD1 4.3Å; Y514-L599 HydrophobicContact CD2-CD1 3.74Å; Y514-L599 HydrophobicContact CD2-CD2 4.45Å; Y514-L599 HydrophobicContact CD2-CG 3.69Å; Y514-L599 HydrophobicContact CE2-CD1 4.12Å; Y514-L599 HydrophobicContact CG-CD1 3.84Å; Y514-L599 HydrophobicContact CG-CD2 4.03Å; Y514-L599 HydrophobicContact CG-CG 3.76Å; D515-L599 CarbonylContact O-C 3.54Å; D515-L599 WeakPolarHBondContact O-CA 3.34Å; K566-L599 HydrophobicContact CB-CB 4.28Å; K566-L599 PolarHBondContact N-O 3Å; K566-L599 PolarHBondContact O-N 3.46Å; T568-L599 HydrophobicContact CG2-CB 3.57Å; L599-L601 HydrophobicContact CD2-CD2 3.64Å; L599-L601 HydrophobicContact CD2-CG 4.06Å
600	R	83.3	Confident	67.1	Low	33 Å²	33	64.8 Å²	64.8	13%	0.125	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	178.8	176.3	167	-63.5	153.8	7.4	109.7	Y514 D515 R560 D565 Y605	Y514-R600 CarbonylContact C-O 3.51Å; Y514-R600 WeakPolarHBondContact CA-O 3.41Å; Y514-R600 WeakPolarHBondContact CB-O 3.45Å; D515-R600 HydrophobicContact CB-CB 4.27Å; D515-R600 PolarHBondContact N-O 3.11Å; D515-R600 PolarHBondContact O-N 3.47Å; R560-R600 PolarHBondContact O-NH2 3.46Å; D565-R600 WeakPolarHBondContact OD1-CB 3.4Å; D565-R600 WeakPolarHBondContact OD1-CG 3.43Å; D565-R600 IonicContact OD1-CZ 2.67Å; D565-R600 IonicContact OD1-NE 3.86Å; D565-R600 PolarHBondContact OD1-NE 3.21Å; D565-R600 IonicContact OD1-NH2 3.2Å; D565-R600 IonicContact OD2-CZ 3.43Å; D565-R600 IonicContact OD2-NE 3.65Å; D565-R600 PolarHBondContact OD2-NE 2.61Å; D565-R600 IonicContact OD2-NH2 3.32Å; D565-R600 PolarHBondContact OD2-NH2 3.22Å; R600-Y605 HydrophobicContact CG-CD2 3.92Å; R600-Y605 HydrophobicContact CG-CE2 3.58Å
601	L	68.4	Low	64.5	Low	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.8	175.3	-63.8	172.9	0	0	0	109.6	I538 Q539 L541 L599 C603 L604 Y605	I538-L601 HydrophobicContact CB-CD1 3.94Å; I538-L601 HydrophobicContact CG2-CD1 3.48Å; I538-L601 VanDerWaalsContact CG2-CD1 3.48Å; Q539-L601 HydrophobicContact CB-CD1 4.49Å; Q539-L601 HydrophobicContact CG-CD1 4.44Å; L541-L601 HydrophobicContact CD1-CD1 4.45Å; L541-L601 HydrophobicContact CD1-CD2 3.73Å; L599-L601 HydrophobicContact CD2-CD2 3.64Å; L599-L601 HydrophobicContact CD2-CG 4.06Å; L601-C603 PolarHBondContact O-N 3.23Å; L601-L604 HydrophobicContact CB-CD1 4.01Å; L601-L604 HydrophobicContact CB-CG 4.03Å; L601-L604 HydrophobicContact CD1-CD1 4.3Å; L601-L604 PolarHBondContact O-N 3.43Å; L601-L604 VanDerWaalsContact O-N 3.14Å; L601-Y605 WeakPolarHBondContact O-CD2 3.45Å
602	R	60.4	Low	61.9	Low	75 Å²	75	71.7 Å²	71.7	28%	0.283	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-61.3	-32.4	-174.9	-69.2	-167.5	-176.7	-174.2	8.8	113	R415 E513 D515 L604 Y605 S606	R415-R602 VanDerWaalsContact CZ-NE 3.29Å; R415-R602 VanDerWaalsContact CZ-NH1 3.31Å; R415-R602 VanDerWaalsContact NH1-NH2 3.11Å; E513-R602 PolarHBondContact O-N 3.41Å; D515-R602 IonicContact OD1-CZ 2.94Å; D515-R602 IonicContact OD1-NE 3.46Å; D515-R602 PolarHBondContact OD1-NE 3.34Å; D515-R602 IonicContact OD1-NH2 2.85Å; D515-R602 PolarHBondContact OD1-NH2 3.02Å; D515-R602 VanDerWaalsContact OD2-CG 3.25Å; D515-R602 WeakPolarHBondContact OD2-CG 3.42Å; D515-R602 IonicContact OD2-CZ 3.51Å; D515-R602 IonicContact OD2-NE 2.69Å; D515-R602 PolarHBondContact OD2-NE 3.33Å; D515-R602 IonicContact OD2-NH2 2.83Å; R602-L604 PolarHBondContact O-N 3.39Å; R602-Y605 PolarHBondContact O-N 3.19Å; R602-S606 PolarHBondContact O-OG 2.86Å
603	C	51	Low	59.3	Low	55 Å²	55	75.3 Å²	75.3	37%	0.372	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-61	-22.1	178.6	64.2	0	0	0	0	114.2	Q539 L601 Y605	Q539-C603 PolarHBondContact NE2-SG 3.05Å; L601-C603 PolarHBondContact O-N 3.23Å; C603-Y605 VanDerWaalsContact C-N 3.29Å
604	L	51.7	Low	56.6	Low	47 Å²	47	77.8 Å²	77.8	25%	0.246	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-79.7	-12.2	-179.6	-64.2	178.9	0	0	0	113	I538 L601 R602	I538-L604 HydrophobicContact CD1-CD1 4.06Å; I538-L604 HydrophobicContact CG2-CD1 4.26Å; I538-L604 HydrophobicContact CG2-CD2 4.17Å; L601-L604 HydrophobicContact CB-CD1 4.01Å; L601-L604 HydrophobicContact CB-CG 4.03Å; L601-L604 HydrophobicContact CD1-CD1 4.3Å; L601-L604 PolarHBondContact O-N 3.43Å; L601-L604 VanDerWaalsContact O-N 3.14Å; R602-L604 PolarHBondContact O-N 3.39Å
605	Y	55	Low	53.5	Low	40 Å²	40	81.4 Å²	81.4	16%	0.157	48%	0.477	C	S	.	.	S	Bend	trans	-131.3	18.7	-170.7	-52.4	-83	0	0	0	113	K562 I563 D565 R600 L601 R602 C603 S607 F720	K562-Y605 HydrophobicContact CB-CE1 3.7Å; K562-Y605 WeakPolarHBondContact CB-OH 3.38Å; K562-Y605 HydrophobicContact CD-CD1 3.94Å; K562-Y605 HydrophobicContact CD-CE1 3.72Å; K562-Y605 HydrophobicContact CG-CE1 4.32Å; I563-Y605 WeakPolarHBondContact O-CE1 3.42Å; I563-Y605 PolarHBondContact O-OH 2.97Å; D565-Y605 PolarHBondContact OD1-OH 3.42Å; R600-Y605 HydrophobicContact CG-CD2 3.92Å; R600-Y605 HydrophobicContact CG-CE2 3.58Å; L601-Y605 WeakPolarHBondContact O-CD2 3.45Å; R602-Y605 PolarHBondContact O-N 3.19Å; C603-Y605 VanDerWaalsContact C-N 3.29Å; Y605-S607 VanDerWaalsContact C-N 3.35Å; Y605-S607 PolarHBondContact O-N 2.85Å; Y605-S607 VanDerWaalsContact O-N 3.13Å; Y605-F720 AromaticContact CD1-CE1 3.61Å; Y605-F720 HydrophobicContact CD1-CE1 3.61Å; Y605-F720 AromaticContact CD1-CZ 3.72Å; Y605-F720 HydrophobicContact CD1-CZ 3.72Å; Y605-F720 AromaticContact CE1-CE1 3.65Å; Y605-F720 HydrophobicContact CE1-CE1 3.65Å; Y605-F720 AromaticContact CE1-CZ 3.96Å; Y605-F720 HydrophobicContact CE1-CZ 3.96Å
606	S	36.5	Very low	50.6	Low	90 Å²	90	84.1 Å²	84.1	63%	0.629	50%	0.502	S	S	*	.			trans	-86.6	66.6	-177.9	-53.3	0	0	0	0	112.2	R602	R602-S606 PolarHBondContact O-OG 2.86Å
607	S	30.5	Very low	47.5	Very low	100 Å²	100	91.7 Å²	91.7	70%	0.699	54%	0.542	S	S	*	.	S	Bend	trans	-169.3	134.2	160.6	50.1	0	0	0	0	108.5	Y605	Y605-S607 VanDerWaalsContact C-N 3.35Å; Y605-S607 PolarHBondContact O-N 2.85Å; Y605-S607 VanDerWaalsContact O-N 3.13Å
608	D	28.8	Very low	44.7	Very low	156 Å²	156	94 Å²	94	83%	0.834	56%	0.563	S	S	*	*			trans	90.5	78.7	-177.9	-61.4	-21.3	0	0	0	116.9
609	E	28.5	Very low	41.8	Very low	193 Å²	193	100.6 Å²	100.6	90%	0.902	60%	0.598	S	S	*	*			trans	-157.7	95.8	138	-76	-153.9	157.2	0	0	109.1
610	S	28.6	Very low	39.2	Very low	121 Å²	121	109.4 Å²	109.4	85%	0.846	64%	0.636	S	S	*	*			trans	-167.7	63.3	156.7	48.9	0	0	0	0	111.7
611	I	30.2	Very low	36.6	Very low	155 Å²	155	117.3 Å²	117.3	80%	0.795	67%	0.671	S	S	*	*			trans	-139.1	102.7	157.4	-59.5	-179.2	0	0	0	106.5
612	D	27.2	Very low	34.7	Very low	145 Å²	145	126.8 Å²	126.8	78%	0.775	71%	0.712	S	S	*	*			trans	167.9	109.7	133.1	-85.2	-26.5	0	0	0	109.9
613	T	29.4	Very low	33	Very low	143 Å²	143	133.8 Å²	133.8	88%	0.877	74%	0.738	S	S	*	*				178	134.4	115.2	30.7	0	0	0	0	111.9
614	A	30.9	Very low	31.8	Very low	108 Å²	108	142.7 Å²	142.7	89%	0.893	76%	0.764	S	S	*	*			trans	84.8	108.6	158	0	0	0	0	0	119.3
615	G	28.4	Very low	30.6	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	78%	0.784	S	S	*	*			trans	129.9	86.2	135.2	0	0	0	0	0	117.6
616	A	30.4	Very low	29.1	Very low	93 Å²	93	150.4 Å²	150.4	77%	0.769	81%	0.813	S	S	*	*			trans	61.1	116.1	140.6	0	0	0	0	0	121.3
617	N	27.5	Very low	28.6	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	82%	0.815	S	S	*	*			trans	37.9	114.1	138.6	-63	-7.9	0	0	0	119.2
618	D	32	Very low	28.3	Very low	158 Å²	158	154.5 Å²	154.5	85%	0.845	82%	0.819	S	S	*	*				-178.5	147.7	93.7	-158	11.3	0	0	0	111.5
619	D	30.6	Very low	28.2	Very low	138 Å²	138	151.8 Å²	151.8	74%	0.738	81%	0.813	S	S	*	*			trans	-71.1	134.5	-174.7	-83.7	-60.2	0	0	0	113.5
620	K	34.5	Very low	27.9	Very low	210 Å²	210	150.3 Å²	150.3	91%	0.913	81%	0.81	S	S	*	*			trans	-168.8	102.4	134.8	-103.3	158	-166.2	173.2	0	112.8
621	K	27.6	Very low	27.8	Very low	198 Å²	198	152 Å²	152	86%	0.861	81%	0.809	S	S	*	*			trans	-41.2	131.4	160.4	-69.2	165.2	175.8	164	0	112.6
622	K	29.8	Very low	27.7	Very low	200 Å²	200	149.1 Å²	149.1	87%	0.87	81%	0.809	S	S	*	*			trans	-144.6	112.5	130.1	-86.4	-166.1	-178.3	172.9	0	110.8
623	R	23.7	Very low	27.5	Very low	222 Å²	222	150 Å²	150	84%	0.838	81%	0.813	S	S	*	*			trans	-98.3	129.1	174.7	171	162.8	69.9	172.9	4.5	107.3
624	W	26.9	Very low	27.3	Very low	241 Å²	241	149.8 Å²	149.8	91%	0.913	81%	0.806	S	S	*	*			trans	-132	111.1	153	-73.5	83.3	0	0	0	108.8
625	S	25.5	Very low	27.1	Very low	94 Å²	94	151.5 Å²	151.5	66%	0.657	80%	0.799	S	S	*	*			trans	-90.4	154.6	165.8	-180	0	0	0	0	108.3
626	M	23.2	Very low	26.9	Very low	156 Å²	156	152.4 Å²	152.4	77%	0.768	79%	0.794	S	S	*	*			trans	-22.2	146.7	165.7	-63.4	150.4	67.8	0	0	116.6
627	D	25.9	Very low	26.7	Very low	127 Å²	127	154.9 Å²	154.9	68%	0.679	79%	0.794	S	S	*	*				178.3	136	110.6	-95.4	-19.1	0	0	0	116.1
628	L	24.7	Very low	26.7	Very low	148 Å²	148	155.8 Å²	155.8	78%	0.775	79%	0.79	S	S	*	*				71.4	121.9	129.2	-68	161.6	0	0	0	123.2
629	S	26.4	Very low	26.6	Very low	100 Å²	100	153.5 Å²	153.5	70%	0.699	78%	0.778	S	S	*	*				102.9	115.5	121.1	-161	0	0	0	0	119.1
630	L	22.6	Very low	26.5	Very low	161 Å²	161	154 Å²	154	84%	0.843	78%	0.775	S	S	*	*			trans	-34.4	135	145.1	-84.7	117.6	0	0	0	112
631	N	26	Very low	26.2	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	77%	0.766	S	S	*	*			trans	-168.4	143.5	134.6	-91.8	-26	0	0	0	111.5
632	A	28	Very low	26.2	Very low	95 Å²	95	146.2 Å²	146.2	79%	0.785	76%	0.761	S	S	*	*			trans	83.1	88.7	153.6	0	0	0	0	0	119.4
633	L	23.1	Very low	26.2	Very low	164 Å²	164	141.1 Å²	141.1	86%	0.859	75%	0.751	S	S	*	*				-43.9	129.3	129.3	-69.5	157.7	0	0	0	110.2
634	N	26.2	Very low	26.4	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	75%	0.752	S	S	*	*				173.1	129.9	112.4	-108.3	-28.4	0	0	0	114.3
635	L	25.9	Very low	26.8	Very low	144 Å²	144	131.3 Å²	131.3	75%	0.754	74%	0.744	S	S	*	*			trans	64.7	113.6	132.7	-84.1	155.6	0	0	0	120.8
636	S	25.4	Very low	27	Very low	95 Å²	95	134.1 Å²	134.1	66%	0.664	75%	0.751	S	S	*	*				103.6	106.1	109.6	-154.5	0	0	0	0	117.5
637	L	25.1	Very low	27.3	Very low	146 Å²	146	137.1 Å²	137.1	76%	0.764	75%	0.754	S	S	*	*				43.1	118	121.6	-111.9	101.6	0	0	0	117.2
638	K	28.5	Very low	27.5	Very low	180 Å²	180	136.4 Å²	136.4	78%	0.783	76%	0.759	S	S	*	*				-179	132.5	102.1	-100.7	173.7	-177.9	-178.1	0	113.2
639	N	28.4	Very low	27.7	Very low	111 Å²	111	133.1 Å²	133.1	59%	0.594	75%	0.753	S	S	*	*			trans	73.1	104.1	131.7	-78.8	30.4	0	0	0	121.3
640	E	28.7	Very low	27.9	Very low	147 Å²	147	136.8 Å²	136.8	69%	0.687	76%	0.759	S	S	*	*				69.7	123.7	99.8	-81.1	-173	171.2	0	0	118.7
641	L	28.5	Very low	28.2	Very low	138 Å²	138	137.1 Å²	137.1	72%	0.723	76%	0.756	S	S	*	*				151	142.5	84.4	-109.8	152.9	0	0	0	112.2
642	S	27.2	Very low	28.4	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	75%	0.752	S	S	*	*			trans	74.7	138.1	153.8	74.2	0	0	0	0	118
643	S	30	Very low	28.4	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	75%	0.751	S	S	*	*			cis	-174.6	115.5	6.8	40.4	0	0	0	0	107.6
644	T	28.5	Very low	28.7	Very low	140 Å²	140	135 Å²	135	86%	0.859	74%	0.738	S	S	*	*				78.9	146.6	101.3	57.9	0	0	0	0	119.8
645	P	35.6	Very low	28.8	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	74%	0.74	S	S	*	*			trans	-122.4	176.9	-157.9	40.7	-23.5	0	0	0	115.1
646	L	28.6	Very low	28.8	Very low	152 Å²	152	135.5 Å²	135.5	80%	0.796	74%	0.741	S	S	*	*			trans	-151.8	117.6	166.5	-86	171.9	0	0	0	115.1
647	R	29.3	Very low	28.8	Very low	219 Å²	219	135.1 Å²	135.1	83%	0.826	74%	0.744	S	S	*	*				75.2	128.5	127.5	-74.7	-175.2	178.5	-164.5	-4.7	125.6
648	S	30	Very low	28.9	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	74%	0.742	S	S	*	*			trans	71.2	140.2	135.1	57.9	0	0	0	0	119.4
649	A	29.6	Very low	28.7	Very low	79 Å²	79	132.8 Å²	132.8	65%	0.653	75%	0.75	S	S	*	*			cis	-172.4	165.3	-8	0	0	0	0	0	107.2
650	E	29.8	Very low	28.7	Very low	177 Å²	177	131.6 Å²	131.6	83%	0.827	75%	0.75	S	S	*	*			trans	75.1	133.6	162	-59.9	162.2	-168.6	0	0	118
651	E	29.8	Very low	28.6	Very low	168 Å²	168	130.7 Å²	130.7	79%	0.785	76%	0.755	S	S	*	*			cis	-168.1	125.5	-16.1	-122.2	174.9	-177.5	0	0	107.1
652	H	29.5	Very low	28.4	Very low	162 Å²	162	132.7 Å²	132.7	75%	0.75	76%	0.763	S	S	*	*			trans	22.7	139.3	144.5	-66.3	-86.8	0	0	0	121.7	I654	H652-I654 WeakPolarHBondContact ND1-CD1 3.36Å
653	A	29.6	Very low	28.4	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	77%	0.77	S	S	*	*			cis	-152.8	122.5	26.7	0	0	0	0	0	112
654	I	28.4	Very low	28.2	Very low	117 Å²	117	139.3 Å²	139.3	60%	0.6	78%	0.776	S	S	*	*				78.9	126.4	70.2	-65.8	173.8	0	0	0	112.2	H652	H652-I654 WeakPolarHBondContact ND1-CD1 3.36Å
655	D	27.7	Very low	28.1	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	77%	0.767	S	S	*	*			cis	-150.3	125.8	13.1	-104.2	-29.3	0	0	0	107.4
656	L	27.2	Very low	27.7	Very low	148 Å²	148	138.1 Å²	138.1	78%	0.775	76%	0.764	S	S	*	*			cis	79.6	95.3	43.9	-122.1	83.5	0	0	0	116
657	A	25.7	Very low	27.7	Very low	87 Å²	87	140.8 Å²	140.8	72%	0.719	77%	0.765	S	S	*	*			trans	-62.8	131.8	147	0	0	0	0	0	109.7
658	N	26.4	Very low	27.5	Very low	136 Å²	136	137.5 Å²	137.5	73%	0.727	76%	0.764	S	S	*	*			trans	176.5	127.6	142.7	-92.2	-23	0	0	0	110.8
659	C	24.4	Very low	27.4	Very low	140 Å²	140	142.8 Å²	142.8	95%	0.946	77%	0.769	S	S	*	*			trans	-150.3	91.8	136.4	-126.7	0	0	0	0	107.8
660	S	27.4	Very low	27.3	Very low	86 Å²	86	143.5 Å²	143.5	60%	0.601	77%	0.769	S	S	*	*			trans	-99.1	166.6	165.6	57	0	0	0	0	109.6
661	T	27.2	Very low	27.1	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	77%	0.767	S	S	*	*			trans	95.4	101.2	165.7	71.5	0	0	0	0	117.4
662	M	24	Very low	27.2	Very low	179 Å²	179	139.9 Å²	139.9	88%	0.882	77%	0.77	S	S	*	*				-160.4	105.4	106.9	-82.2	-147.9	-72.7	0	0	109.9
663	Y	27.9	Very low	27.2	Very low	231 Å²	231	140.8 Å²	140.8	91%	0.906	77%	0.774	S	S	*	*				178.7	110.2	128.9	-113.9	-88.2	0	0	0	108.3
664	S	25.6	Very low	27.4	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	78%	0.776	S	S	*	*			trans	-108.9	161.1	171.5	178.1	0	0	0	0	108.8
665	S	27.1	Very low	27.4	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	78%	0.784	S	S	*	*			trans	76.8	121.1	-179.7	74.7	0	0	0	0	113.3
666	L	25.6	Very low	27.5	Very low	133 Å²	133	143.5 Å²	143.5	70%	0.696	78%	0.777	S	S	*	*			cis	-153.4	139.8	34.7	-54.6	138.2	0	0	0	105.9
667	Y	29.2	Very low	27.6	Very low	208 Å²	208	141.5 Å²	141.5	82%	0.816	78%	0.775	S	S	*	*				-173.9	138.3	58.2	-88.4	-84	0	0	0	108.2
668	N	25.2	Very low	27.7	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	77%	0.773	S	S	*	*			trans	-83.5	144.5	158.9	-73.8	-30.5	0	0	0	109
669	Y	28.3	Very low	28	Very low	224 Å²	224	142.1 Å²	142.1	88%	0.878	77%	0.774	S	S	*	*				168.1	150.7	109.3	-132	-99.7	0	0	0	112
670	S	28	Very low	28.3	Very low	93 Å²	93	143.5 Å²	143.5	65%	0.65	77%	0.767	S	S	*	*			trans	-81.1	165.1	-167	-47.2	0	0	0	0	116.7
671	D	24.6	Very low	28.5	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	77%	0.768	S	S	*	*			trans	33.6	128.1	141.7	-70.9	-25.5	0	0	0	121.2
672	S	32.1	Very low	28.8	Very low	119 Å²	119	147.5 Å²	147.5	83%	0.832	76%	0.764	S	S	*	*				160.5	149.7	110.4	-62.2	0	0	0	0	111.4
673	E	29.6	Very low	29.1	Very low	182 Å²	182	145 Å²	145	85%	0.85	76%	0.759	S	S	*	*			trans	-78.3	173	-170.4	-57.8	174.4	132.9	0	0	115.2
674	E	32.8	Very low	29.1	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	76%	0.755	S	S	*	*			trans	99.2	121	149.6	-70.8	-169.7	173.1	0	0	122.1
675	E	29.8	Very low	29.3	Very low	168 Å²	168	139 Å²	139	79%	0.785	75%	0.751	S	S	*	*			trans	80.2	108.9	131.3	-66.1	-89.8	136.5	0	0	121.1
676	A	29	Very low	29.5	Very low	76 Å²	76	141 Å²	141	63%	0.628	76%	0.759	S	S	*	*				83.1	123.2	119.9	0	0	0	0	0	122.5
677	S	29.1	Very low	29.7	Very low	105 Å²	105	140 Å²	140	73%	0.734	76%	0.763	S	S	*	*			trans	93	104.2	132.6	80.6	0	0	0	0	120.6
678	S	27.9	Very low	29.8	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	76%	0.762	S	S	*	*				60.1	142.8	119	69.1	0	0	0	0	123.5
679	N	32.4	Very low	30.1	Very low	141 Å²	141	131.3 Å²	131.3	75%	0.754	76%	0.756	S	S	*	*			trans	96.6	108.2	157.1	-55.4	-20.3	0	0	0	114.8
680	E	32.2	Very low	30.1	Very low	169 Å²	169	127 Å²	127	79%	0.79	75%	0.752	S	S	*	*				100.3	130.4	57.7	-96.2	-161	166.2	0	0	113
681	E	31.4	Very low	30.3	Very low	136 Å²	136	130 Å²	130	64%	0.636	76%	0.76	S	S	*	*			trans	85	111.5	150.1	-67.3	-159.4	127.7	0	0	124
682	K	32.1	Very low	30.5	Very low	163 Å²	163	130.2 Å²	130.2	71%	0.709	76%	0.761	S	S	*	*				44.9	130	124	-66.4	173	-174.7	144.5	0	119.9
683	T	30.9	Very low	30.5	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	77%	0.765	S	S	*	*				173.7	121.5	101.2	33	0	0	0	0	114
684	T	28.4	Very low	30.3	Very low	131 Å²	131	133.4 Å²	133.4	80%	0.804	76%	0.759	S	S	*	*			trans	31.5	122.8	133.4	53.4	0	0	0	0	124.3
685	A	29.7	Very low	30.2	Very low	85 Å²	85	132.7 Å²	132.7	70%	0.702	77%	0.766	S	S	*	*				103.4	126.3	109.9	0	0	0	0	0	123
686	T	30.2	Very low	30.1	Very low	139 Å²	139	131.3 Å²	131.3	85%	0.853	76%	0.76	S	S	*	*			trans	61.2	129.1	138.7	37.7	0	0	0	0	122.5
687	S	31.2	Very low	30.4	Very low	112 Å²	112	133 Å²	133	78%	0.783	76%	0.764	S	S	*	*				173	143.2	99.8	-159.4	0	0	0	0	114.9
688	A	31.2	Very low	30.6	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	77%	0.773	S	S	*	*			trans	64.3	147.4	142.3	0	0	0	0	0	121.2
689	A	31.4	Very low	30.5	Very low	83 Å²	83	140.4 Å²	140.4	69%	0.686	78%	0.782	S	S	*	*			cis	-164.9	136.7	2.9	0	0	0	0	0	109.5
690	V	28.4	Very low	30.3	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	79%	0.786	S	S	*	*				70.6	119	102.5	-168.6	0	0	0	0	116
691	I	32.6	Very low	30.2	Very low	156 Å²	156	138.8 Å²	138.8	80%	0.8	79%	0.788	S	S	*	*				170.9	120.7	112.7	-77	168	0	0	0	110
692	N	28.1	Very low	29.9	Very low	155 Å²	155	139.3 Å²	139.3	83%	0.829	79%	0.794	S	S	*	*			trans	-90	152.6	169.5	-97.6	-21.8	0	0	0	110.4
693	N	32.3	Very low	29.6	Very low	171 Å²	171	137.5 Å²	137.5	91%	0.914	80%	0.799	S	S	*	*			trans	-146.1	134.8	147.9	-103.6	-18.5	0	0	0	111.9
694	R	25.5	Very low	29.3	Very low	196 Å²	196	136.2 Å²	136.2	74%	0.74	80%	0.795	S	S	*	*			trans	-116	141.1	-171.7	170.1	-175.5	-175.7	147.4	-2.2	108.5	E696	R694-E696 IonicContact CZ-OE1 3.24Å; R694-E696 IonicContact NE-OE1 2.59Å; R694-E696 PolarHBondContact NE-OE1 3.42Å; R694-E696 IonicContact NH2-OE1 2.79Å; R694-E696 PolarHBondContact NH2-OE1 3.11Å
695	V	30.3	Very low	29.2	Very low	152 Å²	152	136.2 Å²	136.2	92%	0.921	79%	0.794	S	S	*	*			trans	-140.7	141.4	158.1	-179.3	0	0	0	0	109.1
696	E	28.6	Very low	29	Very low	139 Å²	139	136.6 Å²	136.6	65%	0.65	79%	0.792	S	S	*	*			trans	-104.5	177.8	-162.9	-101.2	-166.6	-175.1	0	0	114.6	R694	R694-E696 IonicContact CZ-OE1 3.24Å; R694-E696 IonicContact NE-OE1 2.59Å; R694-E696 PolarHBondContact NE-OE1 3.42Å; R694-E696 IonicContact NH2-OE1 2.79Å; R694-E696 PolarHBondContact NH2-OE1 3.11Å
697	P	34.3	Very low	28.8	Very low	110 Å²	110	139.4 Å²	139.4	71%	0.714	80%	0.795	S	S	*	*			trans	-108.3	170.6	-149.8	41.9	-35.2	0	0	0	116
698	Q	33	Very low	28.5	Very low	198 Å²	198	140.6 Å²	140.6	93%	0.925	79%	0.793	S	S	*	*			trans	-145.3	144.3	159.7	-70.8	-166	-8.3	0	0	113.8
699	N	27.2	Very low	28.4	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	79%	0.789	S	S	*	*			trans	-68.8	147.9	-170.5	-67.1	-42.6	0	0	0	116.4
700	V	28	Very low	28.2	Very low	140 Å²	140	144.2 Å²	144.2	85%	0.848	80%	0.795	S	S	*	*			trans	-155.8	111.9	130.5	-178.5	0	0	0	0	111.4
701	V	29.5	Very low	28.1	Very low	136 Å²	136	145.3 Å²	145.3	82%	0.824	80%	0.795	S	S	*	*			trans	28.5	131.3	142.7	-166.7	0	0	0	0	122.9
702	I	24.8	Very low	27.9	Very low	146 Å²	146	143.8 Å²	143.8	75%	0.749	79%	0.788	S	S	*	*			trans	-92.2	162.5	178.3	-51	162.7	0	0	0	111.1
703	P	25.4	Very low	27.8	Very low	126 Å²	126	146.6 Å²	146.6	82%	0.818	79%	0.788	S	S	*	*				-132.5	148.8	113	28.9	-13.7	0	0	0	115.2
704	S	25.3	Very low	27.5	Very low	99 Å²	99	147.6 Å²	147.6	69%	0.692	78%	0.784	S	S	*	*			trans	-49.9	154.4	-178.9	50.8	0	0	0	0	116.4
705	V	25.7	Very low	27.6	Very low	131 Å²	131	145.7 Å²	145.7	79%	0.794	78%	0.777	S	S	*	*				-173	132.3	115.7	150.6	0	0	0	0	112.1
706	S	25.9	Very low	27.5	Very low	94 Å²	94	145.9 Å²	145.9	66%	0.657	77%	0.773	S	S	*	*			trans	64.3	113.6	157.6	58.2	0	0	0	0	122.6	D708	S706-D708 PolarHBondContact O-N 3.49Å
707	Q	25.8	Very low	27.4	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	78%	0.783	S	S	*	*			trans	-59.9	100.4	161.7	-66.1	161.5	-65.4	0	0	111.4
708	D	26.1	Very low	27.2	Very low	137 Å²	137	150.3 Å²	150.3	73%	0.733	79%	0.786	S	S	*	*			trans	-148.2	10.4	168.1	-96.1	-34.9	0	0	0	114.7	S706	S706-D708 PolarHBondContact O-N 3.49Å
709	S	29	Very low	27	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	78%	0.781	S	S	*	*	S	Bend	trans	-114.2	7.5	-168.3	-48.2	0	0	0	0	115.7
710	L	26.9	Very low	27.3	Very low	155 Å²	155	143.1 Å²	143.1	81%	0.812	77%	0.767	S	S	*	*	S	Bend	trans	-119	0.9	-177.8	-71.3	176.8	0	0	0	115.7
711	L	26.5	Very low	27.6	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	76%	0.759	S	S	*	*	S	Bend	trans	-104.5	-3.4	176.7	-82	165	0	0	0	115.3
712	N	27.6	Very low	28.2	Very low	123 Å²	123	138.1 Å²	138.1	66%	0.658	75%	0.746	S	S	*	*	S	Bend	trans	-99.4	4.1	-178.2	-85.6	-15.8	0	0	0	115.6
713	R	25.2	Very low	29.1	Very low	215 Å²	215	132.4 Å²	132.4	81%	0.811	72%	0.717	S	S	*	*	S	Bend	trans	-94.2	4.8	179	-70.7	-167.8	-156.9	-170	5.8	115.4
714	F	26.4	Very low	30	Very low	191 Å²	191	131.1 Å²	131.1	84%	0.838	70%	0.703	S	S	*	*	S	Bend	trans	-113.5	12.2	-178.9	-80.4	-76.8	0	0	0	114.9
715	R	27.8	Very low	31.1	Very low	156 Å²	156	128.5 Å²	128.5	59%	0.589	68%	0.678	S	S	*	*			trans	-109.1	8.7	-172.8	-79	-177.9	69.8	171.2	-4.8	117.5
716	D	28.8	Very low	31.6	Very low	157 Å²	157	126.5 Å²	126.5	84%	0.84	67%	0.666	S	S	*	*			trans	-108.3	31.8	-176.7	-73.1	-31	0	0	0	114.3
717	K	27.3	Very low	31.9	Very low	198 Å²	198	127.4 Å²	127.4	86%	0.861	66%	0.664	S	S	*	*			trans	-112.4	5.1	-177.8	-91.5	-167.1	176.7	-175.1	0	117.2
718	D	29.5	Very low	32.3	Very low	144 Å²	144	120 Å²	120	77%	0.77	63%	0.634	S	S	*	*			trans	-102.9	112.3	177.1	-56.7	-25	0	0	0	109.9	F720	D718-F720 PolarHBondContact O-N 2.85Å
719	G	28	Very low	32.7	Very low	81 Å²	81	116.3 Å²	116.3	84%	0.835	61%	0.614	S	S	*	*			trans	-68.1	37.6	-171.3	0	0	0	0	0	117.2	G721	G719-G721 PolarHBondContact O-N 2.84Å; G719-G721 VanDerWaalsContact O-N 3.15Å
720	F	34.4	Very low	33	Very low	125 Å²	125	115.8 Å²	115.8	55%	0.548	62%	0.615	S	S	.	*			trans	-83.3	87.9	177.7	-87.1	-88.6	0	0	0	111.8	Y605 D718	Y605-F720 AromaticContact CD1-CE1 3.61Å; Y605-F720 HydrophobicContact CD1-CE1 3.61Å; Y605-F720 AromaticContact CD1-CZ 3.72Å; Y605-F720 HydrophobicContact CD1-CZ 3.72Å; Y605-F720 AromaticContact CE1-CE1 3.65Å; Y605-F720 HydrophobicContact CE1-CE1 3.65Å; Y605-F720 AromaticContact CE1-CZ 3.96Å; Y605-F720 HydrophobicContact CE1-CZ 3.96Å; D718-F720 PolarHBondContact O-N 2.85Å
721	G	34.7	Very low	33.8	Very low	66 Å²	66	111.2 Å²	111.2	68%	0.68	59%	0.588	S	S	*	*			trans	-63.2	131.2	168.8	0	0	0	0	0	112.3	G719 I723	G719-G721 PolarHBondContact O-N 2.84Å; G719-G721 VanDerWaalsContact O-N 3.15Å; G721-I723 PolarHBondContact O-N 3.4Å
722	D	42	Very low	34.7	Very low	105 Å²	105	106.9 Å²	106.9	56%	0.561	57%	0.565	S	S	*	*			trans	-21	101.2	174.7	-154.7	24.4	0	0	0	115.2	D724 K763 G764	D722-D724 PolarHBondContact O-N 2.84Å; D722-K763 VanDerWaalsContact OD2-O 3.09Å; D722-G764 WeakPolarHBondContact OD2-CA 3.18Å
723	I	43.2	Very low	35.4	Very low	26 Å²	26	105.1 Å²	105.1	13%	0.133	57%	0.568	C	S	.	*			trans	-64.4	116.9	171.5	-66.3	176	0	0	0	107.4	I538 I563 G721 W725	I538-I723 HydrophobicContact CD1-CG2 3.82Å; I563-I723 HydrophobicContact CG2-CD1 4.18Å; G721-I723 PolarHBondContact O-N 3.4Å; I723-W725 HydrophobicContact CB-CD2 4.42Å; I723-W725 HydrophobicContact CB-CH2 4.39Å; I723-W725 HydrophobicContact CB-CZ2 3.76Å; I723-W725 HydrophobicContact CD1-CH2 4.13Å; I723-W725 HydrophobicContact CD1-CZ2 3.97Å; I723-W725 HydrophobicContact CG1-CZ2 4.42Å; I723-W725 HydrophobicContact CG2-CD2 3.92Å; I723-W725 HydrophobicContact CG2-CE3 4.08Å; I723-W725 HydrophobicContact CG2-CH2 3.97Å; I723-W725 HydrophobicContact CG2-CZ2 3.77Å; I723-W725 HydrophobicContact CG2-CZ3 4.1Å; I723-W725 PolarHBondContact O-N 2.88Å; I723-W725 PolarHBondContact O-NE1 3.39Å
724	D	44.8	Very low	36.3	Very low	99 Å²	99	104 Å²	104	53%	0.529	57%	0.569	S	S	.	*			trans	-69.9	93.1	176.5	-176.2	10.9	0	0	0	110.6	D722 T726	D722-D724 PolarHBondContact O-N 2.84Å; D724-T726 PolarHBondContact O-N 2.7Å; D724-T726 VanDerWaalsContact OD1-C 3.31Å; D724-T726 PolarHBondContact OD1-N 2.89Å; D724-T726 VanDerWaalsContact OD1-N 3.14Å
725	W	47.1	Very low	37.4	Very low	44 Å²	44	97 Å²	97	17%	0.167	54%	0.537	C	S	.	.			trans	-70.9	-8.1	-179.4	-56.9	99.8	0	0	0	113.3	V534 I538 Y545 I546 I563 I723	V534-W725 HydrophobicContact CG2-CD2 4.23Å; V534-W725 HydrophobicContact CG2-CE3 3.86Å; V534-W725 HydrophobicContact CG2-CZ3 4.12Å; I538-W725 HydrophobicContact CD1-CE3 3.94Å; I538-W725 HydrophobicContact CD1-CH2 4.33Å; I538-W725 HydrophobicContact CD1-CZ3 3.56Å; I538-W725 HydrophobicContact CG1-CE3 4.35Å; I538-W725 HydrophobicContact CG1-CZ3 4.4Å; Y545-W725 VanDerWaalsContact CB-CZ3 3.45Å; Y545-W725 HydrophobicContact CD1-CZ3 4.28Å; Y545-W725 AromaticContact CG-CZ3 3.97Å; Y545-W725 HydrophobicContact CG-CZ3 3.97Å; I546-W725 VanDerWaalsContact O-CH2 3.32Å; I546-W725 WeakPolarHBondContact O-CH2 3.35Å; I563-W725 HydrophobicContact CG2-CZ2 4.24Å; I723-W725 HydrophobicContact CB-CD2 4.42Å; I723-W725 HydrophobicContact CB-CH2 4.39Å; I723-W725 HydrophobicContact CB-CZ2 3.76Å; I723-W725 HydrophobicContact CD1-CH2 4.13Å; I723-W725 HydrophobicContact CD1-CZ2 3.97Å; I723-W725 HydrophobicContact CG1-CZ2 4.42Å; I723-W725 HydrophobicContact CG2-CD2 3.92Å; I723-W725 HydrophobicContact CG2-CE3 4.08Å; I723-W725 HydrophobicContact CG2-CH2 3.97Å; I723-W725 HydrophobicContact CG2-CZ2 3.77Å; I723-W725 HydrophobicContact CG2-CZ3 4.1Å; I723-W725 PolarHBondContact O-N 2.88Å; I723-W725 PolarHBondContact O-NE1 3.39Å
726	T	36.7	Very low	38.3	Very low	88 Å²	88	93.5 Å²	93.5	54%	0.54	53%	0.53	S	S	.	.	S	Bend	trans	-144.8	112.1	-174.7	55.5	0	0	0	0	111.1	D724 S728	D724-T726 PolarHBondContact O-N 2.7Å; D724-T726 VanDerWaalsContact OD1-C 3.31Å; D724-T726 PolarHBondContact OD1-N 2.89Å; D724-T726 VanDerWaalsContact OD1-N 3.14Å; T726-S728 PolarHBondContact O-N 3.27Å
727	N	32.2	Very low	39.4	Very low	113 Å²	113	92.4 Å²	92.4	60%	0.604	52%	0.52	S	S	*	.			trans	-52.8	66.4	173.1	-86.9	-44.1	0	0	0	114.9
728	S	33.2	Very low	40.6	Very low	43 Å²	43	90.1 Å²	90.1	30%	0.301	52%	0.517	S	S	.	.			trans	-133.3	85.5	-169.4	-142.5	0	0	0	0	111.3	T726	T726-S728 PolarHBondContact O-N 3.27Å
729	I	36.3	Very low	41.8	Very low	59 Å²	59	86.8 Å²	86.8	30%	0.303	50%	0.497	S	S	.	.			trans	71.5	111.8	144.6	-46.2	163.1	0	0	0	116.6	Y731	I729-Y731 HydrophobicContact CB-CD2 3.99Å; I729-Y731 HydrophobicContact CB-CE2 3.58Å; I729-Y731 HydrophobicContact CD1-CE2 4.07Å; I729-Y731 HydrophobicContact CG1-CE2 4.43Å; I729-Y731 HydrophobicContact CG2-CD1 4.2Å; I729-Y731 HydrophobicContact CG2-CD2 3.64Å; I729-Y731 HydrophobicContact CG2-CE1 3.87Å; I729-Y731 HydrophobicContact CG2-CE2 3.29Å; I729-Y731 HydrophobicContact CG2-CG 4.09Å; I729-Y731 VanDerWaalsContact CG2-CZ 3.41Å; I729-Y731 PolarHBondContact O-N 2.84Å; I729-Y731 VanDerWaalsContact O-N 3.12Å
730	A	33.9	Very low	43.5	Very low	88 Å²	88	84.5 Å²	84.5	73%	0.727	47%	0.466	S	S	*	.			trans	-73.1	93.6	169.9	0	0	0	0	0	111
731	Y	44.9	Very low	45.5	Very low	58 Å²	58	80 Å²	80	23%	0.227	45%	0.448	C	S	.	.			trans	-88.6	-8.6	175.3	-75.7	-70.4	0	0	0	114.3	I729 W735 Y769	I729-Y731 HydrophobicContact CB-CD2 3.99Å; I729-Y731 HydrophobicContact CB-CE2 3.58Å; I729-Y731 HydrophobicContact CD1-CE2 4.07Å; I729-Y731 HydrophobicContact CG1-CE2 4.43Å; I729-Y731 HydrophobicContact CG2-CD1 4.2Å; I729-Y731 HydrophobicContact CG2-CD2 3.64Å; I729-Y731 HydrophobicContact CG2-CE1 3.87Å; I729-Y731 HydrophobicContact CG2-CE2 3.29Å; I729-Y731 HydrophobicContact CG2-CG 4.09Å; I729-Y731 VanDerWaalsContact CG2-CZ 3.41Å; I729-Y731 PolarHBondContact O-N 2.84Å; I729-Y731 VanDerWaalsContact O-N 3.12Å; Y731-W735 PolarHBondContact O-NE1 2.83Å; Y731-W735 VanDerWaalsContact O-NE1 3.08Å; Y731-Y769 HydrophobicContact CG-CG 4.42Å
732	D	45.1	Very low	47.7	Very low	65 Å²	65	81 Å²	81	35%	0.348	44%	0.437	S	S	.	.	S	Bend	trans	-90.9	-5.8	-171	-91.7	-24.4	0	0	0	115.6	Y769	D732-Y769 PolarHBondContact OD1-OH 3.5Å
733	A	42.4	Very low	49.7	Very low	86 Å²	86	77.1 Å²	77.1	71%	0.711	42%	0.417	S	S	*	.	S	Bend	trans	-93.6	2.7	-168.5	0	0	0	0	0	116.7
734	K	43.7	Very low	51.9	Low	193 Å²	193	80.6 Å²	80.6	84%	0.839	43%	0.433	S	S	*	.			trans	-144.5	15.1	-170.4	-94.5	-168.7	178.2	-172.9	0	117	N736	K734-N736 PolarHBondContact O-N 2.83Å
735	W	49.6	Very low	54	Low	43 Å²	43	76 Å²	76	16%	0.163	41%	0.409	C	S	.	.			trans	-88.7	105.9	177.3	-70.4	79.4	0	0	0	110.5	Y731 V740 Y769 R789 W822	Y731-W735 PolarHBondContact O-NE1 2.83Å; Y731-W735 VanDerWaalsContact O-NE1 3.08Å; W735-V740 HydrophobicContact CE3-CG1 3.55Å; W735-V740 HydrophobicContact CZ3-CG1 3.77Å; W735-Y769 AromaticContact CE2-CE1 3.7Å; W735-Y769 HydrophobicContact CZ2-CD1 4.16Å; W735-Y769 AromaticContact CZ2-CE1 3.64Å; W735-Y769 HydrophobicContact CZ2-CE1 3.64Å; W735-Y769 AromaticContact NE1-CE1 3.59Å; W735-R789 HydrophobicContact CH2-CB 3.97Å; W735-R789 HydrophobicContact CZ2-CB 4.22Å; W735-R789 HydrophobicContact CZ3-CB 4.44Å; W735-W822 VanDerWaalsContact CH2-O 3.3Å; W735-W822 WeakPolarHBondContact CH2-O 3.45Å; W735-W822 HydrophobicContact CZ3-CB 3.98Å
736	N	46.3	Very low	56.2	Low	83 Å²	83	78.1 Å²	78.1	44%	0.444	43%	0.426	S	S	.	.			trans	-82.8	117.5	167	-169.7	3.4	0	0	0	108.2	K734 N738 E739	K734-N736 PolarHBondContact O-N 2.83Å; N736-N738 PolarHBondContact O-N 3.25Å; N736-N738 VanDerWaalsContact O-N 3.1Å; N736-E739 HydrophobicContact CB-CB 4.02Å; N736-E739 PolarHBondContact O-N 2.95Å
737	E	52.8	Low	58.7	Low	134 Å²	134	74.1 Å²	74.1	63%	0.626	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.5	-176.2	-66.5	-176	166.1	0	0	112.9	V740 R767	E737-V740 WeakPolarHBondContact O-CG2 3.3Å; E737-R767 IonicContact OE1-NH2 3.55Å; E737-R767 PolarHBondContact OE1-NH2 3.39Å
738	N	51.2	Low	61.4	Low	150 Å²	150	75.4 Å²	75.4	80%	0.802	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.7	175.5	-62.7	-20	0	0	0	113.7	N736	N736-N738 PolarHBondContact O-N 3.25Å; N736-N738 VanDerWaalsContact O-N 3.1Å
739	E	56.2	Low	64.1	Low	74 Å²	74	75.7 Å²	75.7	35%	0.346	40%	0.4	S	S	.	.	S	Bend	trans	-130.3	33.3	-171.1	-140.8	-164.1	142.2	0	0	112.8	N736 R825	N736-E739 HydrophobicContact CB-CB 4.02Å; N736-E739 PolarHBondContact O-N 2.95Å; E739-R825 HydrophobicContact CG-CB 4.21Å; E739-R825 PolarHBondContact O-N 3.32Å
740	V	62.5	Low	66.5	Low	32 Å²	32	75.2 Å²	75.2	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.4	-177.3	-71.9	0	0	0	0	112.2	W735 E737 W822 R823	W735-V740 HydrophobicContact CE3-CG1 3.55Å; W735-V740 HydrophobicContact CZ3-CG1 3.77Å; E737-V740 WeakPolarHBondContact O-CG2 3.3Å; V740-W822 HydrophobicContact CB-CE3 3.97Å; V740-W822 HydrophobicContact CG2-CE3 3.72Å; V740-W822 HydrophobicContact CG2-CZ3 3.88Å; V740-R823 CarbonylContact C-O 3.55Å; V740-R823 VanDerWaalsContact CA-O 3.24Å; V740-R823 WeakPolarHBondContact CA-O 3.49Å
741	D	75.8	Confident	68.7	Low	31 Å²	31	80.5 Å²	80.5	17%	0.166	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.9	166.9	-56.9	-52.5	0	0	0	110	R823 R825 Q828	D741-R823 PolarHBondContact N-O 2.96Å; D741-R823 PolarHBondContact O-N 2.96Å; D741-R825 IonicContact OD1-CZ 3.98Å; D741-R825 IonicContact OD1-NE 2.83Å; D741-R825 PolarHBondContact OD1-NE 2.98Å; D741-R825 IonicContact OD1-NH2 2.81Å; D741-R825 PolarHBondContact OD1-NH2 2.65Å; D741-R825 WeakPolarHBondContact OD2-CG 3.49Å; D741-R825 IonicContact OD2-NE 2.78Å; D741-Q828 PolarHBondContact OD2-NE2 3.12Å; D741-Q828 PolarHBondContact OD2-OE1 3.29Å
742	L	81.9	Confident	70.4	Confident	86 Å²	86	83.8 Å²	83.8	45%	0.45	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.4	174.2	-169.8	69.6	0	0	0	108.8	A791 R820 L821 W822	L742-A791 HydrophobicContact CD1-CB 4.14Å; L742-R820 HydrophobicContact CD1-CB 4.15Å; L742-L821 WeakPolarHBondContact CA-O 3.29Å; L742-W822 HydrophobicContact CB-CE3 4.21Å; L742-W822 HydrophobicContact CB-CZ3 4.03Å; L742-W822 HydrophobicContact CD1-CD2 3.81Å; L742-W822 HydrophobicContact CD1-CE3 3.89Å; L742-W822 HydrophobicContact CD1-CG 4.37Å; L742-W822 HydrophobicContact CD1-CH2 4.19Å; L742-W822 HydrophobicContact CD1-CZ2 4.09Å; L742-W822 HydrophobicContact CD1-CZ3 4.1Å
743	V	84.4	Confident	72.2	Confident	24 Å²	24	82.4 Å²	82.4	15%	0.145	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.8	179.1	-175.4	0	0	0	0	108.9	V745 H783 R820 L821 R823	V743-V745 HydrophobicContact CG1-CG2 4.05Å; V743-H783 HydrophobicContact CG1-CB 4.05Å; V743-H783 WeakPolarHBondContact CG1-O 3.46Å; V743-R820 WeakPolarHBondContact O-CA 3.27Å; V743-L821 HydrophobicContact CB-CB 4.48Å; V743-L821 PolarHBondContact N-O 3.41Å; V743-L821 PolarHBondContact O-N 3.28Å; V743-R823 HydrophobicContact CG2-CB 4.27Å
744	E	89.2	Confident	74.4	Confident	100 Å²	100	82.5 Å²	82.5	47%	0.467	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.9	172.7	-166.9	168.7	99.8	0	0	109.8	V818 L819 R820	E744-V818 HydrophobicContact CG-CG1 3.79Å; E744-L819 CarbonylContact C-O 3.52Å; E744-L819 WeakPolarHBondContact CA-O 3.49Å; E744-R820 HydrophobicContact CB-CG 4.46Å; E744-R820 HydrophobicContact CG-CG 4.17Å; E744-R820 IonicContact OE2-CZ 2.85Å; E744-R820 IonicContact OE2-NE 3.93Å; E744-R820 PolarHBondContact OE2-NE 3.46Å; E744-R820 IonicContact OE2-NH2 3.41Å; E744-R820 PolarHBondContact OE2-NH2 2.75Å
745	V	89.6	Confident	76.5	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.9	-176.8	-174	0	0	0	0	109.1	V743 L747 C781 H783 I784 V818 L819 L821	V743-V745 HydrophobicContact CG1-CG2 4.05Å; V745-L747 HydrophobicContact CG1-CD2 4.03Å; V745-L747 HydrophobicContact CG1-CG 3.96Å; V745-C781 WeakPolarHBondContact CG1-SG 3.43Å; V745-H783 HydrophobicContact CG2-CB 3.72Å; V745-I784 HydrophobicContact CG1-CB 4.33Å; V745-I784 HydrophobicContact CG2-CB 4.31Å; V745-V818 CarbonylContact O-C 3.44Å; V745-L819 HydrophobicContact CB-CB 4.39Å; V745-L819 PolarHBondContact N-O 3.4Å; V745-L819 PolarHBondContact O-N 2.79Å; V745-L821 HydrophobicContact CG2-CD1 3.76Å
746	V	91.5	Very high	78.2	Confident	88 Å²	88	72.1 Å²	72.1	53%	0.533	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.5	174.5	-173.3	0	0	0	0	108.6	P816 V817 V818	V746-P816 HydrophobicContact CG1-CB 3.9Å; V746-V817 WeakPolarHBondContact CA-O 3.47Å; V746-V818 HydrophobicContact CG2-CG2 4.36Å
747	L	90.4	Very high	80.2	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	179	-65.6	179.9	0	0	0	110.1	V745 L755 P777 A778 C781 I784 V817 L819	V745-L747 HydrophobicContact CG1-CD2 4.03Å; V745-L747 HydrophobicContact CG1-CG 3.96Å; L747-L755 HydrophobicContact CB-CD2 3.83Å; L747-L755 HydrophobicContact CD1-CB 4.27Å; L747-P777 HydrophobicContact CB-CG 4.44Å; L747-A778 HydrophobicContact CD1-CB 4Å; L747-C781 HydrophobicContact CD2-CB 3.59Å; L747-I784 HydrophobicContact CD1-CD1 4.34Å; L747-V817 PolarHBondContact N-O 3.38Å; L747-V817 PolarHBondContact O-N 2.8Å; L747-L819 HydrophobicContact CD1-CD1 3.85Å
748	E	89.4	Confident	81.8	Confident	139 Å²	139	67.7 Å²	67.7	65%	0.65	35%	0.354	S	S	*	.			trans	-78.5	151.2	168.7	-60.4	-163.9	153.5	0	0	110.1	P777 P816	E748-P777 WeakPolarHBondContact O-CD 3.42Å; E748-P777 WeakPolarHBondContact O-CG 3.39Å; E748-P816 HydrophobicContact CG-CB 4.49Å
749	K	89	Confident	83.5	Confident	49 Å²	49	61.4 Å²	61.4	21%	0.213	32%	0.321	C	S	.	.			trans	-78.4	135.2	171.5	-77.9	178.5	164.7	178.7	0	109.3	G753 L755 R811 A813 S815 V817	K749-G753 WeakPolarHBondContact CD-O 3.38Å; K749-G753 WeakPolarHBondContact CE-O 3.35Å; K749-L755 HydrophobicContact CG-CD2 3.81Å; K749-L755 HydrophobicContact CG-CG 4.45Å; K749-R811 PolarHBondContact NZ-O 3.16Å; K749-A813 WeakPolarHBondContact CE-O 3.4Å; K749-A813 PolarHBondContact NZ-O 3.04Å; K749-S815 PolarHBondContact N-OG 2.95Å; K749-V817 HydrophobicContact CD-CG2 4.42Å; K749-V817 HydrophobicContact CG-CG2 4.22Å
750	N	86	Confident	84.6	Confident	49 Å²	49	59 Å²	59	26%	0.262	31%	0.314	S	S	.	.			trans	-66.5	176.1	172.3	67.7	22.8	0	0	0	111.5	N752 G753 N754 E776	N750-N752 PolarHBondContact O-N 3.03Å; N750-N752 WeakPolarHBondContact OD1-CA 3.29Å; N750-N752 WeakPolarHBondContact OD1-CB 3.27Å; N750-N752 PolarHBondContact OD1-N 3.49Å; N750-G753 PolarHBondContact O-N 2.88Å; N750-G753 PolarHBondContact OD1-N 2.83Å; N750-N754 PolarHBondContact N-O 3.09Å; N750-N754 PolarHBondContact ND2-O 3.01Å; N750-N754 PolarHBondContact OD1-N 3.47Å; N750-N754 PolarHBondContact OD1-O 3.18Å; N750-E776 PolarHBondContact ND2-O 2.77Å
751	E	80.8	Confident	85.2	Confident	199 Å²	199	58.3 Å²	58.3	93%	0.93	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.3	179.1	-60.5	174.7	-177.2	0	0	113.5
752	N	80.7	Confident	84.5	Confident	128 Å²	128	57.1 Å²	57.1	68%	0.684	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	7	178.9	-62.5	-38.5	0	0	0	113.5	N750 N754	N750-N752 PolarHBondContact O-N 3.03Å; N750-N752 WeakPolarHBondContact OD1-CA 3.29Å; N750-N752 WeakPolarHBondContact OD1-CB 3.27Å; N750-N752 PolarHBondContact OD1-N 3.49Å; N752-N754 VanDerWaalsContact C-N 3.27Å; N752-N754 PolarHBondContact O-N 2.73Å
753	G	82.9	Confident	82.4	Confident	36 Å²	36	60.4 Å²	60.4	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	74.5	12	-177.9	0	0	0	0	0	114.7	K749 N750	K749-G753 WeakPolarHBondContact CD-O 3.38Å; K749-G753 WeakPolarHBondContact CE-O 3.35Å; N750-G753 PolarHBondContact O-N 2.88Å; N750-G753 PolarHBondContact OD1-N 2.83Å
754	N	87.7	Confident	81	Confident	88 Å²	88	62.1 Å²	62.1	47%	0.471	34%	0.342	S	S	.	.			trans	-103.4	152.3	-173.3	-65.1	-38.6	0	0	0	112.1	N750 N752	N750-N754 PolarHBondContact N-O 3.09Å; N750-N754 PolarHBondContact ND2-O 3.01Å; N750-N754 PolarHBondContact OD1-N 3.47Å; N750-N754 PolarHBondContact OD1-O 3.18Å; N752-N754 VanDerWaalsContact C-N 3.27Å; N752-N754 PolarHBondContact O-N 2.73Å
755	L	87.8	Confident	79.3	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.063	33%	0.332	C	S	.	.			trans	-95.2	-8.1	175.7	-61.8	173.3	0	0	0	113.3	L747 K749 I757 P777 A778 L810 V817	L747-L755 HydrophobicContact CB-CD2 3.83Å; L747-L755 HydrophobicContact CD1-CB 4.27Å; K749-L755 HydrophobicContact CG-CD2 3.81Å; K749-L755 HydrophobicContact CG-CG 4.45Å; L755-I757 HydrophobicContact CB-CG1 4.26Å; L755-P777 WeakPolarHBondContact O-CD 3.42Å; L755-A778 WeakPolarHBondContact O-CB 3.2Å; L755-A778 PolarHBondContact O-N 3.34Å; L755-A778 VanDerWaalsContact O-N 3.11Å; L755-L810 HydrophobicContact CD1-CD2 4.05Å; L755-V817 HydrophobicContact CD1-CB 4.15Å; L755-V817 HydrophobicContact CD1-CG1 3.9Å; L755-V817 HydrophobicContact CD1-CG2 4.26Å; L755-V817 HydrophobicContact CD2-CB 3.88Å; L755-V817 HydrophobicContact CD2-CG2 3.79Å
756	G	86.5	Confident	78	Confident	6 Å²	6	68.2 Å²	68.2	6%	0.062	37%	0.367	C	S	.	.	S	Bend	trans	75.7	21.7	-178.3	0	0	0	0	0	115.3	V774 G775	G756-V774 WeakPolarHBondContact O-CG2 3.3Å; G756-V774 PolarHBondContact O-N 3.49Å; G756-G775 WeakPolarHBondContact CA-O 3.34Å; G756-G775 PolarHBondContact O-N 3.31Å
757	I	88.8	Confident	77.3	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.4	175.3	61.7	177.8	0	0	0	112.4	L755 V759 A778 I784 L810 L819	L755-I757 HydrophobicContact CB-CG1 4.26Å; I757-V759 HydrophobicContact CD1-CG1 4.42Å; I757-A778 HydrophobicContact CG2-CB 3.35Å; I757-I784 HydrophobicContact CG2-CD1 3.71Å; I757-L810 HydrophobicContact CD1-CD1 4.37Å; I757-L810 HydrophobicContact CD1-CD2 4.35Å; I757-L819 HydrophobicContact CD1-CD1 4.12Å
758	Q	85.8	Confident	76.9	Confident	94 Å²	94	65.6 Å²	65.6	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.7	162.7	-67.9	-174	-6.3	0	0	109.3	V770 K771 C772 V774	Q758-V770 CarbonylContact O-C 3.3Å; Q758-K771 HydrophobicContact CB-CB 4.41Å; Q758-K771 WeakPolarHBondContact O-CB 3.4Å; Q758-K771 PolarHBondContact O-N 2.91Å; Q758-C772 PolarHBondContact N-O 3.19Å; Q758-C772 PolarHBondContact O-N 3.26Å; Q758-C772 PolarHBondContact OE1-SG 3.34Å; Q758-V774 HydrophobicContact CG-CG1 3.72Å; Q758-V774 HydrophobicContact CG-CG2 4.09Å
759	V	87.3	Confident	76.8	Confident	18 Å²	18	59 Å²	59	11%	0.109	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.4	176.5	-66.8	0	0	0	0	111.3	I757 V768 Y769 H803 V807 L810	I757-V759 HydrophobicContact CD1-CG1 4.42Å; V759-V768 HydrophobicContact CB-CG1 3.88Å; V759-V768 HydrophobicContact CG1-CG1 4.28Å; V759-V768 HydrophobicContact CG2-CG1 4.37Å; V759-Y769 CarbonylContact C-O 3.52Å; V759-Y769 WeakPolarHBondContact CA-O 3.45Å; V759-H803 PolarHBondContact O-CE1 3.44Å; V759-V807 HydrophobicContact CG2-CG2 3.64Å; V759-L810 HydrophobicContact CG1-CD1 3.82Å; V759-L810 HydrophobicContact CG2-CD1 4.26Å
760	A	79	Confident	76.7	Confident	25 Å²	25	56.6 Å²	56.6	21%	0.207	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.1	172.3	0	0	0	0	0	109.8	V768 Y769 K771	A760-V768 CarbonylContact O-C 3.59Å; A760-V768 WeakPolarHBondContact O-CA 3.47Å; A760-Y769 PolarHBondContact N-O 3.1Å; A760-Y769 PolarHBondContact O-N 2.99Å; A760-K771 HydrophobicContact CB-CB 3.93Å; A760-K771 HydrophobicContact CB-CD 4.21Å; A760-K771 HydrophobicContact CB-CG 4.26Å
761	G	74.2	Confident	76.4	Confident	17 Å²	17	58.1 Å²	58.1	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.8	179.9	-177.7	0	0	0	0	0	113.9	R767 H803	G761-R767 WeakPolarHBondContact CA-O 3.43Å; G761-H803 WeakPolarHBondContact O-CA 3.49Å; G761-H803 WeakPolarHBondContact O-CB 3.46Å; G761-H803 PolarHBondContact O-ND1 3.36Å; G761-H803 VanDerWaalsContact O-ND1 3.13Å
762	G	60.5	Low	76.4	Confident	6 Å²	6	50.4 Å²	50.4	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109	166.1	-162.4	0	0	0	0	0	112	G764 Q765 R767 L801	G762-G764 PolarHBondContact O-N 3.3Å; G762-G764 VanDerWaalsContact O-N 3.08Å; G762-Q765 CarbonylContact C-O 3.48Å; G762-Q765 PolarHBondContact N-O 3.11Å; G762-Q765 PolarHBondContact O-N 3.04Å; G762-Q765 VanDerWaalsContact O-O 3.09Å; G762-R767 PolarHBondContact N-O 3.31Å; G762-L801 WeakPolarHBondContact CA-O 3.45Å
763	K	39.6	Very low	76.6	Confident	154 Å²	154	46.4 Å²	46.4	67%	0.67	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-18	99	-170.2	-86.3	-169.5	174.8	-177.2	0	115.6	D722	D722-K763 VanDerWaalsContact OD2-O 3.09Å
764	G	54.2	Low	76.6	Confident	61 Å²	61	48.7 Å²	48.7	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.3	-44.2	-169	0	0	0	0	0	109.9	D722 G762	D722-G764 WeakPolarHBondContact OD2-CA 3.18Å; G762-G764 PolarHBondContact O-N 3.3Å; G762-G764 VanDerWaalsContact O-N 3.08Å
765	Q	54.4	Low	76.5	Confident	53 Å²	53	45.4 Å²	45.4	25%	0.248	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.5	159.1	-64.4	-159.9	-14.6	0	0	108.9	G762 R767	G762-Q765 CarbonylContact C-O 3.48Å; G762-Q765 PolarHBondContact N-O 3.11Å; G762-Q765 PolarHBondContact O-N 3.04Å; G762-Q765 VanDerWaalsContact O-O 3.09Å; Q765-R767 PolarHBondContact O-N 2.95Å
766	K	61.5	Low	76.4	Confident	176 Å²	176	48.8 Å²	48.8	77%	0.765	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	-7	-170.9	-71.9	-176.2	178.2	-178.6	0	113.6
767	R	76.3	Confident	76.4	Confident	37 Å²	37	49.9 Å²	49.9	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.1	-159.6	-59.8	175.6	170	-177.5	-5.4	110	E737 G761 G762 Q765 Y769 R789	E737-R767 IonicContact OE1-NH2 3.55Å; E737-R767 PolarHBondContact OE1-NH2 3.39Å; G761-R767 WeakPolarHBondContact CA-O 3.43Å; G762-R767 PolarHBondContact N-O 3.31Å; Q765-R767 PolarHBondContact O-N 2.95Å; R767-Y769 HydrophobicContact CB-CD2 4.47Å; R767-Y769 HydrophobicContact CB-CE2 3.56Å; R767-Y769 WeakPolarHBondContact CB-OH 3.28Å; R767-Y769 WeakPolarHBondContact CD-OH 3.48Å; R767-R789 HydrophobicContact CB-CG 4.36Å; R767-R789 VanDerWaalsContact NE-NH1 3.19Å
768	V	83.3	Confident	76.3	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.7	176.7	-179.4	0	0	0	0	108.7	V759 A760 R789 L790 A806	V759-V768 HydrophobicContact CB-CG1 3.88Å; V759-V768 HydrophobicContact CG1-CG1 4.28Å; V759-V768 HydrophobicContact CG2-CG1 4.37Å; A760-V768 CarbonylContact O-C 3.59Å; A760-V768 WeakPolarHBondContact O-CA 3.47Å; V768-R789 CarbonylContact O-C 3.57Å; V768-R789 WeakPolarHBondContact O-CA 3.4Å; V768-L790 HydrophobicContact CB-CB 4.27Å; V768-L790 HydrophobicContact CG1-CB 4.24Å; V768-L790 HydrophobicContact CG1-CD2 4.2Å; V768-L790 PolarHBondContact O-N 3.01Å; V768-A806 HydrophobicContact CB-CB 4.5Å; V768-A806 HydrophobicContact CG1-CB 4.15Å; V768-A806 HydrophobicContact CG2-CB 3.8Å
769	Y	86	Confident	76.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.7	-174.9	-60.9	-89.6	0	0	0	111.2	Y731 D732 W735 V759 A760 R767 K771 D788 R789	Y731-Y769 HydrophobicContact CG-CG 4.42Å; D732-Y769 PolarHBondContact OD1-OH 3.5Å; W735-Y769 AromaticContact CE2-CE1 3.7Å; W735-Y769 HydrophobicContact CZ2-CD1 4.16Å; W735-Y769 AromaticContact CZ2-CE1 3.64Å; W735-Y769 HydrophobicContact CZ2-CE1 3.64Å; W735-Y769 AromaticContact NE1-CE1 3.59Å; V759-Y769 CarbonylContact C-O 3.52Å; V759-Y769 WeakPolarHBondContact CA-O 3.45Å; A760-Y769 PolarHBondContact N-O 3.1Å; A760-Y769 PolarHBondContact O-N 2.99Å; R767-Y769 HydrophobicContact CB-CD2 4.47Å; R767-Y769 HydrophobicContact CB-CE2 3.56Å; R767-Y769 WeakPolarHBondContact CB-OH 3.28Å; R767-Y769 WeakPolarHBondContact CD-OH 3.48Å; Y769-K771 PolarHBondContact O-N 3.09Å; Y769-K771 VanDerWaalsContact O-N 3.17Å; Y769-D788 CarbonylContact C-O 3.55Å; Y769-D788 WeakPolarHBondContact CA-O 3.45Å; Y769-R789 HydrophobicContact CD1-CB 3.72Å; Y769-R789 HydrophobicContact CD1-CG 4.44Å; Y769-R789 HydrophobicContact CE1-CB 3.63Å; Y769-R789 HydrophobicContact CE1-CG 4.15Å
770	V	86.4	Confident	75.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	106.9	167.2	-178.7	0	0	0	0	107.7	Q758 I784 P786 G787 D788 L821	Q758-V770 CarbonylContact O-C 3.3Å; V770-I784 HydrophobicContact CG2-CD1 4.37Å; V770-I784 HydrophobicContact CG2-CG1 4.46Å; V770-P786 CarbonylContact O-C 3.5Å; V770-P786 WeakPolarHBondContact O-CA 3.41Å; V770-G787 PolarHBondContact O-N 2.86Å; V770-D788 HydrophobicContact CB-CB 4.4Å; V770-D788 HydrophobicContact CG2-CB 4.12Å; V770-D788 PolarHBondContact N-O 3.45Å; V770-L821 HydrophobicContact CG2-CD2 4.27Å
771	K	79.6	Confident	76.1	Confident	80 Å²	80	52.5 Å²	52.5	35%	0.348	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-47.6	-179.8	-174.4	-178.3	-175.7	170.4	0	111.5	Q758 A760 Y769	Q758-K771 HydrophobicContact CB-CB 4.41Å; Q758-K771 WeakPolarHBondContact O-CB 3.4Å; Q758-K771 PolarHBondContact O-N 2.91Å; A760-K771 HydrophobicContact CB-CB 3.93Å; A760-K771 HydrophobicContact CB-CD 4.21Å; A760-K771 HydrophobicContact CB-CG 4.26Å; Y769-K771 PolarHBondContact O-N 3.09Å; Y769-K771 VanDerWaalsContact O-N 3.17Å
772	C	82.1	Confident	76.3	Confident	38 Å²	38	56.2 Å²	56.2	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	158.9	176.7	58.7	0	0	0	0	110.9	Q758 V774	Q758-C772 PolarHBondContact N-O 3.19Å; Q758-C772 PolarHBondContact O-N 3.26Å; Q758-C772 PolarHBondContact OE1-SG 3.34Å; C772-V774 VanDerWaalsContact SG-CG1 3.6Å
773	I	84.7	Confident	77.3	Confident	43 Å²	43	61 Å²	61	22%	0.221	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.3	172	-60	169.2	0	0	0	107	A778 L779 I784 P786	I773-A778 HydrophobicContact CG2-CB 3.83Å; I773-L779 HydrophobicContact CG2-CB 4.14Å; I773-L779 HydrophobicContact CG2-CD1 4.27Å; I773-I784 HydrophobicContact CD1-CG2 4.04Å; I773-I784 WeakPolarHBondContact CD1-O 3.37Å; I773-P786 HydrophobicContact CD1-CG 4.46Å; I773-P786 HydrophobicContact CG1-CG 4.4Å
774	V	83.5	Confident	79.6	Confident	84 Å²	84	53.9 Å²	53.9	51%	0.509	30%	0.303	S	S	.	.			trans	-121.9	-7.8	-169.1	-65	0	0	0	0	114.4	G756 Q758 C772	G756-V774 WeakPolarHBondContact O-CG2 3.3Å; G756-V774 PolarHBondContact O-N 3.49Å; Q758-V774 HydrophobicContact CG-CG1 3.72Å; Q758-V774 HydrophobicContact CG-CG2 4.09Å; C772-V774 VanDerWaalsContact SG-CG1 3.6Å
775	G	85.3	Confident	80.9	Confident	19 Å²	19	55.1 Å²	55.1	20%	0.196	29%	0.289	C	S	.	.	S	Bend	trans	177.8	-174.9	177.4	0	0	0	0	0	113.4	G756 A778 L779	G756-G775 WeakPolarHBondContact CA-O 3.34Å; G756-G775 PolarHBondContact O-N 3.31Å; G775-A778 PolarHBondContact O-N 3.06Å; G775-L779 WeakPolarHBondContact O-CB 2.74Å; G775-L779 PolarHBondContact O-N 3.28Å
776	E	85.4	Confident	82.1	Confident	83 Å²	83	56 Å²	56	39%	0.388	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	145.3	177.7	-64.1	-57.5	152.6	0	0	112.4	N750 S780	N750-E776 PolarHBondContact ND2-O 2.77Å; E776-S780 PolarHBondContact OE1-OG 2.89Å; E776-S780 WeakPolarHBondContact OE2-CB 3.46Å; E776-S780 PolarHBondContact OE2-N 3.41Å; E776-S780 PolarHBondContact OE2-OG 3.28Å
777	P	87.1	Confident	82.8	Confident	29 Å²	29	47.7 Å²	47.7	19%	0.188	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	-2.9	3.9	22.9	-12	0	0	0	115.9	L747 E748 L755 L779 S780 C781	L747-P777 HydrophobicContact CB-CG 4.44Å; E748-P777 WeakPolarHBondContact O-CD 3.42Å; E748-P777 WeakPolarHBondContact O-CG 3.39Å; L755-P777 WeakPolarHBondContact O-CD 3.42Å; P777-L779 PolarHBondContact O-N 2.92Å; P777-S780 PolarHBondContact O-N 2.86Å; P777-C781 PolarHBondContact O-N 3.25Å
778	A	86.1	Confident	83.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.5	176.7	0	0	0	0	0	113.1	L747 L755 I757 I773 G775 C781 I784	L747-A778 HydrophobicContact CD1-CB 4Å; L755-A778 WeakPolarHBondContact O-CB 3.2Å; L755-A778 PolarHBondContact O-N 3.34Å; L755-A778 VanDerWaalsContact O-N 3.11Å; I757-A778 HydrophobicContact CG2-CB 3.35Å; I773-A778 HydrophobicContact CG2-CB 3.83Å; G775-A778 PolarHBondContact O-N 3.06Å; A778-C781 PolarHBondContact O-N 3.02Å; A778-I784 HydrophobicContact CB-CG2 4.15Å
779	L	83.4	Confident	83.5	Confident	111 Å²	111	47 Å²	47	58%	0.581	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-38	176.1	-172.5	68	0	0	0	112.7	I773 G775 P777	I773-L779 HydrophobicContact CG2-CB 4.14Å; I773-L779 HydrophobicContact CG2-CD1 4.27Å; G775-L779 WeakPolarHBondContact O-CB 2.74Å; G775-L779 PolarHBondContact O-N 3.28Å; P777-L779 PolarHBondContact O-N 2.92Å
780	S	81.8	Confident	83.7	Confident	89 Å²	89	47.1 Å²	47.1	62%	0.622	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5	175.6	-65.3	0	0	0	0	114.5	E776 P777 P782	E776-S780 PolarHBondContact OE1-OG 2.89Å; E776-S780 WeakPolarHBondContact OE2-CB 3.46Å; E776-S780 PolarHBondContact OE2-N 3.41Å; E776-S780 PolarHBondContact OE2-OG 3.28Å; P777-S780 PolarHBondContact O-N 2.86Å; S780-P782 WeakPolarHBondContact O-CD 3.46Å
781	C	82.2	Confident	83.8	Confident	21 Å²	21	47.7 Å²	47.7	14%	0.142	27%	0.267	C	S	.	.			trans	-92.5	116.8	-175.3	-173.7	0	0	0	0	111.9	V745 L747 P777 A778 H783 I784	V745-C781 WeakPolarHBondContact CG1-SG 3.43Å; L747-C781 HydrophobicContact CD2-CB 3.59Å; P777-C781 PolarHBondContact O-N 3.25Å; A778-C781 PolarHBondContact O-N 3.02Å; C781-H783 PolarHBondContact O-N 3.41Å; C781-I784 HydrophobicContact CB-CG2 3.86Å
782	P	78.4	Confident	84.3	Confident	95 Å²	95	46.1 Å²	46.1	62%	0.617	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.9	-176	29.1	-34.9	0	0	0	113.6	S780	S780-P782 WeakPolarHBondContact O-CD 3.46Å
783	H	81.7	Confident	84.8	Confident	106 Å²	106	44.3 Å²	44.3	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-14	-171.2	-60.1	-59.7	0	0	0	113.8	V743 V745 C781 R823	V743-H783 HydrophobicContact CG1-CB 4.05Å; V743-H783 WeakPolarHBondContact CG1-O 3.46Å; V745-H783 HydrophobicContact CG2-CB 3.72Å; C781-H783 PolarHBondContact O-N 3.41Å; H783-R823 PolarHBondContact O-NH2 3.34Å
784	I	87.5	Confident	85.2	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	25%	0.254	C	S	.	.			trans	-103.1	137.7	177.4	-171.4	159.7	0	0	0	110.9	V745 L747 I757 V770 I773 A778 C781 L819 L821	V745-I784 HydrophobicContact CG1-CB 4.33Å; V745-I784 HydrophobicContact CG2-CB 4.31Å; L747-I784 HydrophobicContact CD1-CD1 4.34Å; I757-I784 HydrophobicContact CG2-CD1 3.71Å; V770-I784 HydrophobicContact CG2-CD1 4.37Å; V770-I784 HydrophobicContact CG2-CG1 4.46Å; I773-I784 HydrophobicContact CD1-CG2 4.04Å; I773-I784 WeakPolarHBondContact CD1-O 3.37Å; A778-I784 HydrophobicContact CB-CG2 4.15Å; C781-I784 HydrophobicContact CB-CG2 3.86Å; I784-L819 HydrophobicContact CD1-CD1 3.96Å; I784-L821 HydrophobicContact CB-CD1 4.14Å; I784-L821 HydrophobicContact CD1-CD1 3.99Å; I784-L821 HydrophobicContact CG1-CD1 3.72Å
785	R	82.8	Confident	85.2	Confident	88 Å²	88	44 Å²	44	33%	0.332	26%	0.259	S	S	.	.			trans	-138.4	147.5	-176.9	-62.9	179.6	-171.6	-154.3	-1.9	111.1	G787 D788	R785-G787 PolarHBondContact O-N 3.23Å; R785-D788 PolarHBondContact N-OD2 2.97Å; R785-D788 VanDerWaalsContact O-CB 3.3Å; R785-D788 WeakPolarHBondContact O-CB 3.27Å; R785-D788 PolarHBondContact O-N 2.92Å
786	P	80.3	Confident	85.3	Confident	70 Å²	70	48.7 Å²	48.7	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	135.4	166	-22.2	34.1	0	0	0	110.8	V770 I773	V770-P786 CarbonylContact O-C 3.5Å; V770-P786 WeakPolarHBondContact O-CA 3.41Å; I773-P786 HydrophobicContact CD1-CG 4.46Å; I773-P786 HydrophobicContact CG1-CG 4.4Å
787	G	75.5	Confident	85.3	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-14.5	-175.1	0	0	0	0	0	114.6	V770 R785 R789	V770-G787 PolarHBondContact O-N 2.86Å; R785-G787 PolarHBondContact O-N 3.23Å; G787-R789 PolarHBondContact O-N 3.36Å
788	D	86.9	Confident	85.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-59.2	133.2	172.2	-74.7	-17.2	0	0	0	110.5	Y769 V770 R785 L821 R823	Y769-D788 CarbonylContact C-O 3.55Å; Y769-D788 WeakPolarHBondContact CA-O 3.45Å; V770-D788 HydrophobicContact CB-CB 4.4Å; V770-D788 HydrophobicContact CG2-CB 4.12Å; V770-D788 PolarHBondContact N-O 3.45Å; R785-D788 PolarHBondContact N-OD2 2.97Å; R785-D788 VanDerWaalsContact O-CB 3.3Å; R785-D788 WeakPolarHBondContact O-CB 3.27Å; R785-D788 PolarHBondContact O-N 2.92Å; D788-L821 HydrophobicContact CB-CB 4.09Å; D788-L821 HydrophobicContact CB-CD1 4.13Å; D788-L821 HydrophobicContact CB-CD2 4.32Å; D788-L821 HydrophobicContact CB-CG 4.41Å; D788-L821 WeakPolarHBondContact OD2-CD1 3.45Å; D788-R823 VanDerWaalsContact CG-NH2 3.28Å; D788-R823 IonicContact OD1-CZ 2.83Å; D788-R823 IonicContact OD1-NE 3.71Å; D788-R823 PolarHBondContact OD1-NE 3.35Å; D788-R823 IonicContact OD1-NH2 3.55Å; D788-R823 PolarHBondContact OD1-NH2 3.34Å; D788-R823 IonicContact OD2-CZ 3.29Å; D788-R823 IonicContact OD2-NE 2.65Å; D788-R823 IonicContact OD2-NH2 3.72Å; D788-R823 PolarHBondContact OD2-NH2 2.66Å
789	R	87.7	Confident	84.7	Confident	23 Å²	23	53 Å²	53	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.2	175.1	168.5	-171.8	178.4	-161.2	0.2	109.5	W735 R767 V768 Y769 G787 A791 E799 L821 W822	W735-R789 HydrophobicContact CH2-CB 3.97Å; W735-R789 HydrophobicContact CZ2-CB 4.22Å; W735-R789 HydrophobicContact CZ3-CB 4.44Å; R767-R789 HydrophobicContact CB-CG 4.36Å; R767-R789 VanDerWaalsContact NE-NH1 3.19Å; V768-R789 CarbonylContact O-C 3.57Å; V768-R789 WeakPolarHBondContact O-CA 3.4Å; Y769-R789 HydrophobicContact CD1-CB 3.72Å; Y769-R789 HydrophobicContact CD1-CG 4.44Å; Y769-R789 HydrophobicContact CE1-CB 3.63Å; Y769-R789 HydrophobicContact CE1-CG 4.15Å; G787-R789 PolarHBondContact O-N 3.36Å; R789-A791 PolarHBondContact O-N 2.87Å; R789-E799 IonicContact NH2-OE1 2.7Å; R789-L821 CarbonylContact O-C 3.6Å; R789-L821 VanDerWaalsContact O-CA 3.28Å; R789-L821 WeakPolarHBondContact O-CA 3.42Å; R789-W822 HydrophobicContact CB-CB 4.06Å; R789-W822 HydrophobicContact CG-CB 4.47Å; R789-W822 PolarHBondContact N-O 3.33Å; R789-W822 PolarHBondContact O-N 3.31Å
790	L	89.5	Confident	84.2	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	118.2	174.4	-165.4	61.9	0	0	0	109.4	V768 V793 T798 L810 L819 L821	V768-L790 HydrophobicContact CB-CB 4.27Å; V768-L790 HydrophobicContact CG1-CB 4.24Å; V768-L790 HydrophobicContact CG1-CD2 4.2Å; V768-L790 PolarHBondContact O-N 3.01Å; L790-V793 HydrophobicContact CD1-CG2 3.81Å; L790-V793 HydrophobicContact CD2-CG2 3.83Å; L790-V793 HydrophobicContact CG-CG2 4Å; L790-T798 HydrophobicContact CD2-CG2 3.85Å; L790-T798 HydrophobicContact CG-CG2 3.9Å; L790-T798 PolarHBondContact O-OG1 2.85Å; L790-L810 HydrophobicContact CD2-CD1 3.97Å; L790-L810 HydrophobicContact CD2-CD2 4.3Å; L790-L810 HydrophobicContact CD2-CG 4.27Å; L790-L819 HydrophobicContact CD1-CD2 4.19Å; L790-L821 HydrophobicContact CD1-CD2 3.64Å
791	A	87.9	Confident	84	Confident	12 Å²	12	48.1 Å²	48.1	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-48.4	179.6	0	0	0	0	0	111.4	L742 R789 T798 R820 W822	L742-A791 HydrophobicContact CD1-CB 4.14Å; R789-A791 PolarHBondContact O-N 2.87Å; A791-T798 PolarHBondContact N-OG1 3.16Å; A791-T798 PolarHBondContact O-N 2.98Å; A791-T798 PolarHBondContact O-OG1 3.43Å; A791-T798 VanDerWaalsContact O-OG1 3.07Å; A791-R820 WeakPolarHBondContact CA-O 3.46Å; A791-R820 HydrophobicContact CB-CB 4.27Å; A791-R820 VanDerWaalsContact CB-O 3.23Å; A791-R820 WeakPolarHBondContact CB-O 3.23Å; A791-R820 PolarHBondContact N-O 3.12Å; A791-W822 HydrophobicContact CB-CG 4.27Å; A791-W822 VanDerWaalsContact CB-NE1 3.28Å
792	M	90.7	Very high	83.9	Confident	47 Å²	47	48.2 Å²	48.2	23%	0.232	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.4	-178.7	-53.1	172.1	64.8	0	0	110.9	G795 Q796 L819 R820	M792-G795 WeakPolarHBondContact CE-O 3.43Å; M792-Q796 CarbonylContact C-O 3.56Å; M792-Q796 WeakPolarHBondContact CA-O 3.39Å; M792-L819 WeakPolarHBondContact O-CA 3.27Å; M792-R820 HydrophobicContact CB-CB 4.05Å; M792-R820 HydrophobicContact CB-CG 4.49Å; M792-R820 HydrophobicContact CG-CB 4.45Å; M792-R820 PolarHBondContact N-O 3.22Å; M792-R820 PolarHBondContact O-N 3.05Å
793	V	93.1	Very high	83.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.9	173.2	175.7	0	0	0	0	107.6	L790 G795 Q796 T798 L809 L810 A813 V817 V818 L819	L790-V793 HydrophobicContact CD1-CG2 3.81Å; L790-V793 HydrophobicContact CD2-CG2 3.83Å; L790-V793 HydrophobicContact CG-CG2 4Å; V793-G795 PolarHBondContact O-N 3.42Å; V793-G795 VanDerWaalsContact O-N 3.13Å; V793-Q796 PolarHBondContact N-O 2.8Å; V793-Q796 WeakPolarHBondContact O-CB 3.34Å; V793-Q796 PolarHBondContact O-N 3.24Å; V793-T798 HydrophobicContact CG2-CG2 3.96Å; V793-L809 HydrophobicContact CB-CD2 3.27Å; V793-L809 HydrophobicContact CG1-CD2 3.51Å; V793-L809 HydrophobicContact CG2-CD2 3.9Å; V793-L810 HydrophobicContact CB-CD2 4.45Å; V793-L810 HydrophobicContact CG1-CD2 3.95Å; V793-L810 HydrophobicContact CG2-CD2 3.61Å; V793-L810 HydrophobicContact CG2-CG 4.18Å; V793-A813 HydrophobicContact CG1-CB 3.92Å; V793-V817 HydrophobicContact CG1-CG1 3.9Å; V793-V818 CarbonylContact C-O 3.55Å; V793-V818 WeakPolarHBondContact CA-O 3.47Å; V793-L819 HydrophobicContact CB-CD2 4.22Å; V793-L819 HydrophobicContact CG1-CD2 3.99Å; V793-L819 HydrophobicContact CG2-CD2 3.76Å
794	N	91.9	Very high	83.9	Confident	62 Å²	62	45.5 Å²	45.5	33%	0.332	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	40.8	-175.6	-75	7.7	0	0	0	113.8	Q796 K814 V817 V818	N794-Q796 VanDerWaalsContact C-N 3.3Å; N794-Q796 PolarHBondContact O-N 3.33Å; N794-K814 PolarHBondContact ND2-N 2.97Å; N794-K814 PolarHBondContact ND2-O 3.11Å; N794-V817 WeakPolarHBondContact OD1-CA 3.31Å; N794-V818 PolarHBondContact N-O 2.96Å; N794-V818 PolarHBondContact OD1-N 3.48Å
795	G	83.8	Confident	83.8	Confident	59 Å²	59	49.1 Å²	49.1	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-8.4	-179.3	0	0	0	0	0	115.3	M792 V793	M792-G795 WeakPolarHBondContact CE-O 3.43Å; V793-G795 PolarHBondContact O-N 3.42Å; V793-G795 VanDerWaalsContact O-N 3.13Å
796	Q	87.5	Confident	84.1	Confident	116 Å²	116	45 Å²	45	54%	0.542	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127	177.4	-58.1	-170.2	-60	0	0	110.9	M792 V793 N794 L809	M792-Q796 CarbonylContact C-O 3.56Å; M792-Q796 WeakPolarHBondContact CA-O 3.39Å; V793-Q796 PolarHBondContact N-O 2.8Å; V793-Q796 WeakPolarHBondContact O-CB 3.34Å; V793-Q796 PolarHBondContact O-N 3.24Å; N794-Q796 VanDerWaalsContact C-N 3.3Å; N794-Q796 PolarHBondContact O-N 3.33Å; Q796-L809 HydrophobicContact CB-CD1 3.85Å; Q796-L809 HydrophobicContact CB-CD2 4.26Å; Q796-L809 HydrophobicContact CB-CG 4.43Å
797	S	85.3	Confident	84.5	Confident	64 Å²	64	43.1 Å²	43.1	45%	0.448	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139.9	177.7	-179.5	0	0	0	0	111.5	E799	S797-E799 WeakPolarHBondContact OG-CB 3.26Å; S797-E799 PolarHBondContact OG-N 3.17Å
798	T	84.5	Confident	85.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	28%	0.28	C	S	.	.			trans	-99.5	6.5	173.9	51.8	0	0	0	0	113.4	L790 A791 V793 L801	L790-T798 HydrophobicContact CD2-CG2 3.85Å; L790-T798 HydrophobicContact CG-CG2 3.9Å; L790-T798 PolarHBondContact O-OG1 2.85Å; A791-T798 PolarHBondContact N-OG1 3.16Å; A791-T798 PolarHBondContact O-N 2.98Å; A791-T798 PolarHBondContact O-OG1 3.43Å; A791-T798 VanDerWaalsContact O-OG1 3.07Å; V793-T798 HydrophobicContact CG2-CG2 3.96Å; T798-L801 HydrophobicContact CG2-CD1 4.16Å
799	E	77.4	Confident	85.2	Confident	136 Å²	136	47.3 Å²	47.3	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	130.4	176.6	-172.2	159.2	-137.1	0	0	111.7	R789 S797 L801	R789-E799 IonicContact NH2-OE1 2.7Å; S797-E799 WeakPolarHBondContact OG-CB 3.26Å; S797-E799 PolarHBondContact OG-N 3.17Å; E799-L801 PolarHBondContact O-N 3.26Å; E799-L801 VanDerWaalsContact O-N 3.15Å
800	G	71.6	Confident	85.4	Confident	54 Å²	54	47 Å²	47	56%	0.557	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-5.3	-179.2	0	0	0	0	0	115.5
801	L	78.6	Confident	85.4	Confident	43 Å²	43	55.2 Å²	55.2	23%	0.225	32%	0.317	C	S	.	.			trans	-65.4	143.7	176.3	-66.8	-169.2	0	0	0	111.4	G762 T798 E799 D805 A806 L809	G762-L801 WeakPolarHBondContact CA-O 3.45Å; T798-L801 HydrophobicContact CG2-CD1 4.16Å; E799-L801 PolarHBondContact O-N 3.26Å; E799-L801 VanDerWaalsContact O-N 3.15Å; L801-D805 HydrophobicContact CB-CB 4.08Å; L801-D805 HydrophobicContact CD1-CB 4.44Å; L801-D805 HydrophobicContact CD2-CB 4.11Å; L801-D805 HydrophobicContact CG-CB 4.45Å; L801-A806 HydrophobicContact CB-CB 4.41Å; L801-L809 HydrophobicContact CD1-CD1 3.59Å
802	S	79	Confident	85.5	Confident	23 Å²	23	60.5 Å²	60.5	16%	0.161	34%	0.343	C	S	.	.			trans	-67.6	161.9	166.4	76.6	0	0	0	0	110.1	A804 D805 A806	S802-A804 PolarHBondContact O-N 3.36Å; S802-A804 PolarHBondContact OG-N 3.02Å; S802-D805 VanDerWaalsContact CB-OD2 3.29Å; S802-D805 WeakPolarHBondContact CB-OD2 3.5Å; S802-D805 PolarHBondContact N-OD2 3.39Å; S802-D805 PolarHBondContact O-N 3.27Å; S802-D805 VanDerWaalsContact O-N 3.16Å; S802-D805 PolarHBondContact OG-N 3.27Å; S802-D805 VanDerWaalsContact OG-N 3.08Å; S802-D805 PolarHBondContact OG-OD2 2.74Å; S802-A806 PolarHBondContact O-N 2.96Å
803	H	79.8	Confident	85.4	Confident	86 Å²	86	58.7 Å²	58.7	40%	0.398	34%	0.336	S	S	.	.	H	α-helix	trans	-52.4	-42.9	173.2	-179.3	70.5	0	0	0	111.2	V759 G761 V807	V759-H803 PolarHBondContact O-CE1 3.44Å; G761-H803 WeakPolarHBondContact O-CA 3.49Å; G761-H803 WeakPolarHBondContact O-CB 3.46Å; G761-H803 PolarHBondContact O-ND1 3.36Å; G761-H803 VanDerWaalsContact O-ND1 3.13Å; H803-V807 WeakPolarHBondContact O-CB 3.31Å; H803-V807 VanDerWaalsContact O-CG2 3.26Å; H803-V807 WeakPolarHBondContact O-CG2 3.37Å; H803-V807 PolarHBondContact O-N 2.92Å
804	A	81.5	Confident	85.1	Confident	59 Å²	59	67.2 Å²	67.2	49%	0.488	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-41.9	-179.5	0	0	0	0	0	112.1	S802 V807 T808	S802-A804 PolarHBondContact O-N 3.36Å; S802-A804 PolarHBondContact OG-N 3.02Å; A804-V807 PolarHBondContact O-N 3.06Å; A804-T808 WeakPolarHBondContact O-CB 3.3Å; A804-T808 PolarHBondContact O-N 3.44Å; A804-T808 PolarHBondContact O-OG1 3.43Å
805	D	85.3	Confident	84.9	Confident	81 Å²	81	67.2 Å²	67.2	43%	0.433	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-43.6	178.2	-58.7	-39.9	0	0	0	110.9	L801 S802 V807 T808 L809	L801-D805 HydrophobicContact CB-CB 4.08Å; L801-D805 HydrophobicContact CD1-CB 4.44Å; L801-D805 HydrophobicContact CD2-CB 4.11Å; L801-D805 HydrophobicContact CG-CB 4.45Å; S802-D805 VanDerWaalsContact CB-OD2 3.29Å; S802-D805 WeakPolarHBondContact CB-OD2 3.5Å; S802-D805 PolarHBondContact N-OD2 3.39Å; S802-D805 PolarHBondContact O-N 3.27Å; S802-D805 VanDerWaalsContact O-N 3.16Å; S802-D805 PolarHBondContact OG-N 3.27Å; S802-D805 VanDerWaalsContact OG-N 3.08Å; S802-D805 PolarHBondContact OG-OD2 2.74Å; D805-V807 PolarHBondContact O-N 3.28Å; D805-T808 PolarHBondContact O-N 2.81Å; D805-L809 WeakPolarHBondContact O-CB 3.4Å; D805-L809 PolarHBondContact O-N 3.33Å
806	A	87.3	Confident	85.1	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-41.5	176.5	0	0	0	0	0	112.3	V768 L801 S802 L809 L810	V768-A806 HydrophobicContact CB-CB 4.5Å; V768-A806 HydrophobicContact CG1-CB 4.15Å; V768-A806 HydrophobicContact CG2-CB 3.8Å; L801-A806 HydrophobicContact CB-CB 4.41Å; S802-A806 PolarHBondContact O-N 2.96Å; A806-L809 PolarHBondContact O-N 3.28Å; A806-L810 WeakPolarHBondContact O-CG 3.34Å; A806-L810 PolarHBondContact O-N 3.03Å
807	V	88.7	Confident	85.3	Confident	31 Å²	31	62.4 Å²	62.4	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-41.4	174.3	170.4	0	0	0	0	111.3	V759 H803 A804 D805 L809 L810 R811	V759-V807 HydrophobicContact CG2-CG2 3.64Å; H803-V807 WeakPolarHBondContact O-CB 3.31Å; H803-V807 VanDerWaalsContact O-CG2 3.26Å; H803-V807 WeakPolarHBondContact O-CG2 3.37Å; H803-V807 PolarHBondContact O-N 2.92Å; A804-V807 PolarHBondContact O-N 3.06Å; D805-V807 PolarHBondContact O-N 3.28Å; V807-L809 VanDerWaalsContact C-N 3.3Å; V807-L809 PolarHBondContact O-N 3.41Å; V807-L810 PolarHBondContact O-N 3.36Å; V807-R811 HydrophobicContact CG1-CG 4.42Å; V807-R811 WeakPolarHBondContact O-CB 3.41Å; V807-R811 VanDerWaalsContact O-CG 3.3Å; V807-R811 WeakPolarHBondContact O-CG 3.35Å; V807-R811 PolarHBondContact O-N 3.22Å
808	T	88.2	Confident	85.6	Confident	68 Å²	68	61.5 Å²	61.5	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-40.3	177.8	-58.8	0	0	0	0	110.8	A804 D805 R811 N812	A804-T808 WeakPolarHBondContact O-CB 3.3Å; A804-T808 PolarHBondContact O-N 3.44Å; A804-T808 PolarHBondContact O-OG1 3.43Å; D805-T808 PolarHBondContact O-N 2.81Å; T808-R811 PolarHBondContact O-N 2.79Å; T808-N812 WeakPolarHBondContact CG2-ND2 3.41Å; T808-N812 VanDerWaalsContact O-CB 3.3Å; T808-N812 WeakPolarHBondContact O-CB 3.23Å; T808-N812 VanDerWaalsContact O-CG 3.24Å; T808-N812 PolarHBondContact O-N 2.73Å
809	L	90.4	Very high	86	Confident	24 Å²	24	61.3 Å²	61.3	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-65.6	-45	178.1	-161.9	159.9	0	0	0	111.4	V793 Q796 L801 D805 A806 V807 R811 N812 A813	V793-L809 HydrophobicContact CB-CD2 3.27Å; V793-L809 HydrophobicContact CG1-CD2 3.51Å; V793-L809 HydrophobicContact CG2-CD2 3.9Å; Q796-L809 HydrophobicContact CB-CD1 3.85Å; Q796-L809 HydrophobicContact CB-CD2 4.26Å; Q796-L809 HydrophobicContact CB-CG 4.43Å; L801-L809 HydrophobicContact CD1-CD1 3.59Å; D805-L809 WeakPolarHBondContact O-CB 3.4Å; D805-L809 PolarHBondContact O-N 3.33Å; A806-L809 PolarHBondContact O-N 3.28Å; V807-L809 VanDerWaalsContact C-N 3.3Å; V807-L809 PolarHBondContact O-N 3.41Å; L809-R811 VanDerWaalsContact C-N 3.35Å; L809-R811 PolarHBondContact O-N 2.84Å; L809-N812 PolarHBondContact O-N 2.77Å; L809-A813 WeakPolarHBondContact O-CB 3.3Å; L809-A813 PolarHBondContact O-N 3.44Å
810	L	91.2	Very high	86.6	Confident	16 Å²	16	59.4 Å²	59.4	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-39.9	171.9	-73.9	166.6	0	0	0	112.7	L755 I757 V759 L790 V793 A806 V807 L819	L755-L810 HydrophobicContact CD1-CD2 4.05Å; I757-L810 HydrophobicContact CD1-CD1 4.37Å; I757-L810 HydrophobicContact CD1-CD2 4.35Å; V759-L810 HydrophobicContact CG1-CD1 3.82Å; V759-L810 HydrophobicContact CG2-CD1 4.26Å; L790-L810 HydrophobicContact CD2-CD1 3.97Å; L790-L810 HydrophobicContact CD2-CD2 4.3Å; L790-L810 HydrophobicContact CD2-CG 4.27Å; V793-L810 HydrophobicContact CB-CD2 4.45Å; V793-L810 HydrophobicContact CG1-CD2 3.95Å; V793-L810 HydrophobicContact CG2-CD2 3.61Å; V793-L810 HydrophobicContact CG2-CG 4.18Å; A806-L810 WeakPolarHBondContact O-CG 3.34Å; A806-L810 PolarHBondContact O-N 3.03Å; V807-L810 PolarHBondContact O-N 3.36Å; L810-L819 HydrophobicContact CD2-CD2 3.58Å
811	R	89.2	Confident	87.5	Confident	176 Å²	176	56.9 Å²	56.9	66%	0.664	30%	0.297	S	S	*	.	H	α-helix	trans	-69.5	-37.6	178.3	-75.9	179.2	-177.7	-173.6	1.7	112.6	K749 V807 T808 L809	K749-R811 PolarHBondContact NZ-O 3.16Å; V807-R811 HydrophobicContact CG1-CG 4.42Å; V807-R811 WeakPolarHBondContact O-CB 3.41Å; V807-R811 VanDerWaalsContact O-CG 3.3Å; V807-R811 WeakPolarHBondContact O-CG 3.35Å; V807-R811 PolarHBondContact O-N 3.22Å; T808-R811 PolarHBondContact O-N 2.79Å; L809-R811 VanDerWaalsContact C-N 3.35Å; L809-R811 PolarHBondContact O-N 2.84Å
812	N	90	Very high	87.7	Confident	123 Å²	123	58.7 Å²	58.7	66%	0.658	30%	0.301	S	S	*	.	H	α-helix	trans	-87.7	-11.1	-177.3	-67.4	-10.8	0	0	0	113.6	T808 L809 K814	T808-N812 WeakPolarHBondContact CG2-ND2 3.41Å; T808-N812 VanDerWaalsContact O-CB 3.3Å; T808-N812 WeakPolarHBondContact O-CB 3.23Å; T808-N812 VanDerWaalsContact O-CG 3.24Å; T808-N812 PolarHBondContact O-N 2.73Å; L809-N812 PolarHBondContact O-N 2.77Å; N812-K814 PolarHBondContact O-N 3.28Å
813	A	89	Confident	87.8	Confident	9 Å²	9	58.3 Å²	58.3	7%	0.074	30%	0.296	C	S	.	.	S	Bend	trans	-56.5	127.7	175.6	0	0	0	0	0	111.3	K749 V793 L809 V817	K749-A813 WeakPolarHBondContact CE-O 3.4Å; K749-A813 PolarHBondContact NZ-O 3.04Å; V793-A813 HydrophobicContact CG1-CB 3.92Å; L809-A813 WeakPolarHBondContact O-CB 3.3Å; L809-A813 PolarHBondContact O-N 3.44Å; A813-V817 HydrophobicContact CB-CB 4.46Å; A813-V817 HydrophobicContact CB-CG1 3.86Å; A813-V817 HydrophobicContact CB-CG2 3.8Å
814	K	87.7	Confident	87.2	Confident	178 Å²	178	54.7 Å²	54.7	77%	0.774	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-65.4	138.4	173	-66.8	-176.5	179.7	-178.7	0	109.6	N794 N812 P816	N794-K814 PolarHBondContact ND2-N 2.97Å; N794-K814 PolarHBondContact ND2-O 3.11Å; N812-K814 PolarHBondContact O-N 3.28Å; K814-P816 CarbonylContact O-C 3.54Å; K814-P816 VanDerWaalsContact O-C 3.3Å
815	S	87.5	Confident	86.4	Confident	63 Å²	63	58.3 Å²	58.3	44%	0.441	28%	0.281	S	S	.	.	S	Bend	trans	-76.8	137	172.7	-167.3	0	0	0	0	109.4	K749	K749-S815 PolarHBondContact N-OG 2.95Å
816	P	87.9	Confident	84.6	Confident	74 Å²	74	58.2 Å²	58.2	48%	0.481	29%	0.287	S	S	.	.	S	Bend	cis	-71.7	142	-1.5	30.5	-35.4	0	0	0	112.8	V746 E748 K814	V746-P816 HydrophobicContact CG1-CB 3.9Å; E748-P816 HydrophobicContact CG-CB 4.49Å; K814-P816 CarbonylContact O-C 3.54Å; K814-P816 VanDerWaalsContact O-C 3.3Å
817	V	91.6	Very high	82.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.4	-179.4	-175.8	0	0	0	0	110.2	V746 L747 K749 L755 V793 N794 A813 L819	V746-V817 WeakPolarHBondContact CA-O 3.47Å; L747-V817 PolarHBondContact N-O 3.38Å; L747-V817 PolarHBondContact O-N 2.8Å; K749-V817 HydrophobicContact CD-CG2 4.42Å; K749-V817 HydrophobicContact CG-CG2 4.22Å; L755-V817 HydrophobicContact CD1-CB 4.15Å; L755-V817 HydrophobicContact CD1-CG1 3.9Å; L755-V817 HydrophobicContact CD1-CG2 4.26Å; L755-V817 HydrophobicContact CD2-CB 3.88Å; L755-V817 HydrophobicContact CD2-CG2 3.79Å; V793-V817 HydrophobicContact CG1-CG1 3.9Å; N794-V817 WeakPolarHBondContact OD1-CA 3.31Å; A813-V817 HydrophobicContact CB-CB 4.46Å; A813-V817 HydrophobicContact CB-CG1 3.86Å; A813-V817 HydrophobicContact CB-CG2 3.8Å; V817-L819 HydrophobicContact CG1-CD2 3.73Å; V817-L819 HydrophobicContact CG1-CG 4.29Å
818	V	91.9	Very high	80.7	Confident	44 Å²	44	65.5 Å²	65.5	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.9	175.9	-174.5	0	0	0	0	109.2	E744 V745 V746 V793 N794	E744-V818 HydrophobicContact CG-CG1 3.79Å; V745-V818 CarbonylContact O-C 3.44Å; V746-V818 HydrophobicContact CG2-CG2 4.36Å; V793-V818 CarbonylContact C-O 3.55Å; V793-V818 WeakPolarHBondContact CA-O 3.47Å; N794-V818 PolarHBondContact N-O 2.96Å; N794-V818 PolarHBondContact OD1-N 3.48Å
819	L	92.8	Very high	78.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.1	176.7	-54.6	178.7	0	0	0	109.8	E744 V745 L747 I757 I784 L790 M792 V793 L810 V817 L821	E744-L819 CarbonylContact C-O 3.52Å; E744-L819 WeakPolarHBondContact CA-O 3.49Å; V745-L819 HydrophobicContact CB-CB 4.39Å; V745-L819 PolarHBondContact N-O 3.4Å; V745-L819 PolarHBondContact O-N 2.79Å; L747-L819 HydrophobicContact CD1-CD1 3.85Å; I757-L819 HydrophobicContact CD1-CD1 4.12Å; I784-L819 HydrophobicContact CD1-CD1 3.96Å; L790-L819 HydrophobicContact CD1-CD2 4.19Å; M792-L819 WeakPolarHBondContact O-CA 3.27Å; V793-L819 HydrophobicContact CB-CD2 4.22Å; V793-L819 HydrophobicContact CG1-CD2 3.99Å; V793-L819 HydrophobicContact CG2-CD2 3.76Å; L810-L819 HydrophobicContact CD2-CD2 3.58Å; V817-L819 HydrophobicContact CG1-CD2 3.73Å; V817-L819 HydrophobicContact CG1-CG 4.29Å; L819-L821 HydrophobicContact CB-CD2 4.45Å; L819-L821 HydrophobicContact CB-CG 4.43Å
820	R	88.9	Confident	75.5	Confident	96 Å²	96	75 Å²	75	36%	0.362	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.6	164.6	-68.9	-177.5	176.6	169.9	-1	109.6	L742 V743 E744 A791 M792	L742-R820 HydrophobicContact CD1-CB 4.15Å; V743-R820 WeakPolarHBondContact O-CA 3.27Å; E744-R820 HydrophobicContact CB-CG 4.46Å; E744-R820 HydrophobicContact CG-CG 4.17Å; E744-R820 IonicContact OE2-CZ 2.85Å; E744-R820 IonicContact OE2-NE 3.93Å; E744-R820 PolarHBondContact OE2-NE 3.46Å; E744-R820 IonicContact OE2-NH2 3.41Å; E744-R820 PolarHBondContact OE2-NH2 2.75Å; A791-R820 WeakPolarHBondContact CA-O 3.46Å; A791-R820 HydrophobicContact CB-CB 4.27Å; A791-R820 VanDerWaalsContact CB-O 3.23Å; A791-R820 WeakPolarHBondContact CB-O 3.23Å; A791-R820 PolarHBondContact N-O 3.12Å; M792-R820 HydrophobicContact CB-CB 4.05Å; M792-R820 HydrophobicContact CB-CG 4.49Å; M792-R820 HydrophobicContact CG-CB 4.45Å; M792-R820 PolarHBondContact N-O 3.22Å; M792-R820 PolarHBondContact O-N 3.05Å
821	L	90.6	Very high	72.6	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	-169	-60.7	176.5	0	0	0	109.8	L742 V743 V745 V770 I784 D788 R789 L790 L819	L742-L821 WeakPolarHBondContact CA-O 3.29Å; V743-L821 HydrophobicContact CB-CB 4.48Å; V743-L821 PolarHBondContact N-O 3.41Å; V743-L821 PolarHBondContact O-N 3.28Å; V745-L821 HydrophobicContact CG2-CD1 3.76Å; V770-L821 HydrophobicContact CG2-CD2 4.27Å; I784-L821 HydrophobicContact CB-CD1 4.14Å; I784-L821 HydrophobicContact CD1-CD1 3.99Å; I784-L821 HydrophobicContact CG1-CD1 3.72Å; D788-L821 HydrophobicContact CB-CB 4.09Å; D788-L821 HydrophobicContact CB-CD1 4.13Å; D788-L821 HydrophobicContact CB-CD2 4.32Å; D788-L821 HydrophobicContact CB-CG 4.41Å; D788-L821 WeakPolarHBondContact OD2-CD1 3.45Å; R789-L821 CarbonylContact O-C 3.6Å; R789-L821 VanDerWaalsContact O-CA 3.28Å; R789-L821 WeakPolarHBondContact O-CA 3.42Å; L790-L821 HydrophobicContact CD1-CD2 3.64Å; L819-L821 HydrophobicContact CB-CD2 4.45Å; L819-L821 HydrophobicContact CB-CG 4.43Å
822	W	83.8	Confident	69.9	Low	82 Å²	82	79.8 Å²	79.8	31%	0.311	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.7	167.7	-62.5	106.7	0	0	0	109.6	W735 V740 L742 R789 A791	W735-W822 VanDerWaalsContact CH2-O 3.3Å; W735-W822 WeakPolarHBondContact CH2-O 3.45Å; W735-W822 HydrophobicContact CZ3-CB 3.98Å; V740-W822 HydrophobicContact CB-CE3 3.97Å; V740-W822 HydrophobicContact CG2-CE3 3.72Å; V740-W822 HydrophobicContact CG2-CZ3 3.88Å; L742-W822 HydrophobicContact CB-CE3 4.21Å; L742-W822 HydrophobicContact CB-CZ3 4.03Å; L742-W822 HydrophobicContact CD1-CD2 3.81Å; L742-W822 HydrophobicContact CD1-CE3 3.89Å; L742-W822 HydrophobicContact CD1-CG 4.37Å; L742-W822 HydrophobicContact CD1-CH2 4.19Å; L742-W822 HydrophobicContact CD1-CZ2 4.09Å; L742-W822 HydrophobicContact CD1-CZ3 4.1Å; R789-W822 HydrophobicContact CB-CB 4.06Å; R789-W822 HydrophobicContact CG-CB 4.47Å; R789-W822 PolarHBondContact N-O 3.33Å; R789-W822 PolarHBondContact O-N 3.31Å; A791-W822 HydrophobicContact CB-CG 4.27Å; A791-W822 VanDerWaalsContact CB-NE1 3.28Å
823	R	80.8	Confident	66.9	Low	14 Å²	14	77.3 Å²	77.3	5%	0.053	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.9	177.3	179.6	170.9	-66.3	154.4	5.3	110.2	V740 D741 V743 H783 D788	V740-R823 CarbonylContact C-O 3.55Å; V740-R823 VanDerWaalsContact CA-O 3.24Å; V740-R823 WeakPolarHBondContact CA-O 3.49Å; D741-R823 PolarHBondContact N-O 2.96Å; D741-R823 PolarHBondContact O-N 2.96Å; V743-R823 HydrophobicContact CG2-CB 4.27Å; H783-R823 PolarHBondContact O-NH2 3.34Å; D788-R823 VanDerWaalsContact CG-NH2 3.28Å; D788-R823 IonicContact OD1-CZ 2.83Å; D788-R823 IonicContact OD1-NE 3.71Å; D788-R823 PolarHBondContact OD1-NE 3.35Å; D788-R823 IonicContact OD1-NH2 3.55Å; D788-R823 PolarHBondContact OD1-NH2 3.34Å; D788-R823 IonicContact OD2-CZ 3.29Å; D788-R823 IonicContact OD2-NE 2.65Å; D788-R823 IonicContact OD2-NH2 3.72Å; D788-R823 PolarHBondContact OD2-NH2 2.66Å
824	S	67	Low	64.2	Low	10 Å²	10	84.8 Å²	84.8	7%	0.07	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133	176	-159.2	0	0	0	0	111.1	S826 Q827	S824-S826 PolarHBondContact O-N 3.21Å; S824-S826 PolarHBondContact OG-OG 3.44Å; S824-Q827 WeakPolarHBondContact O-CB 3.17Å; S824-Q827 PolarHBondContact O-N 2.87Å
825	R	63.5	Low	61.4	Low	135 Å²	135	85.1 Å²	85.1	51%	0.509	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.2	173.5	-78.9	-179.5	-176.4	-174	2.6	113	E739 D741 Q827 Q828	E739-R825 HydrophobicContact CG-CB 4.21Å; E739-R825 PolarHBondContact O-N 3.32Å; D741-R825 IonicContact OD1-CZ 3.98Å; D741-R825 IonicContact OD1-NE 2.83Å; D741-R825 PolarHBondContact OD1-NE 2.98Å; D741-R825 IonicContact OD1-NH2 2.81Å; D741-R825 PolarHBondContact OD1-NH2 2.65Å; D741-R825 WeakPolarHBondContact OD2-CG 3.49Å; D741-R825 IonicContact OD2-NE 2.78Å; R825-Q827 PolarHBondContact O-N 2.77Å; R825-Q827 VanDerWaalsContact O-N 3.09Å; R825-Q828 WeakPolarHBondContact O-CB 3.22Å; R825-Q828 PolarHBondContact O-N 3.24Å
826	S	49	Very low	58.7	Low	79 Å²	79	87.7 Å²	87.7	55%	0.552	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-62.7	-11.4	170.3	26.8	0	0	0	0	114.2	S824	S824-S826 PolarHBondContact O-N 3.21Å; S824-S826 PolarHBondContact OG-OG 3.44Å
827	Q	48.9	Very low	56	Low	92 Å²	92	89.2 Å²	89.2	43%	0.43	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-99.3	-4.6	168.6	-70.5	-171.5	-3.5	0	0	114.2	S824 R825	S824-Q827 WeakPolarHBondContact O-CB 3.17Å; S824-Q827 PolarHBondContact O-N 2.87Å; R825-Q827 PolarHBondContact O-N 2.77Å; R825-Q827 VanDerWaalsContact O-N 3.09Å
828	Q	44.2	Very low	53	Low	92 Å²	92	94.2 Å²	94.2	43%	0.43	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.4	179.2	-73.6	-168	-15	0	0	114	D741 R825 M830	D741-Q828 PolarHBondContact OD2-NE2 3.12Å; D741-Q828 PolarHBondContact OD2-OE1 3.29Å; R825-Q828 WeakPolarHBondContact O-CB 3.22Å; R825-Q828 PolarHBondContact O-N 3.24Å; Q828-M830 PolarHBondContact O-N 3.49Å
829	N	33.1	Very low	50.1	Low	161 Å²	161	99.7 Å²	99.7	86%	0.861	53%	0.529	S	S	*	.	S	Bend	trans	-83.1	28.4	-176.9	-77.3	-6.8	0	0	0	115.4
830	M	36.8	Very low	47.2	Very low	130 Å²	130	109.4 Å²	109.4	64%	0.64	57%	0.567	S	S	*	*	S	Bend	trans	-125.8	107.2	167.7	-78.3	-168.5	148.1	0	0	108.6	A92 Q828	A92-M830 HydrophobicContact CB-CE 4.4Å; Q828-M830 PolarHBondContact O-N 3.49Å
831	Q	31.3	Very low	44.2	Very low	130 Å²	130	109.4 Å²	109.4	61%	0.607	58%	0.58	S	S	*	*	S	Bend	trans	79.4	81.6	175.7	-55.4	169.8	-3.4	0	0	115.4	N91	N91-Q831 PolarHBondContact ND2-NE2 3.19Å
832	N	30.7	Very low	41.3	Very low	164 Å²	164	117.2 Å²	117.2	88%	0.877	62%	0.617	S	S	*	*			trans	-156.2	116.9	130.4	-88.4	-19.5	0	0	0	106.6
833	G	27.4	Very low	38.7	Very low	70 Å²	70	119.2 Å²	119.2	72%	0.722	64%	0.643	S	S	*	*			trans	-74.4	122.9	169.3	0	0	0	0	0	108.4
834	D	32.5	Very low	36.2	Very low	167 Å²	167	123.1 Å²	123.1	89%	0.893	67%	0.672	S	S	*	*			trans	178.1	119	145.1	-83.6	-24.8	0	0	0	107
835	E	28.2	Very low	34.5	Very low	185 Å²	185	129.2 Å²	129.2	86%	0.864	70%	0.703	S	S	*	*			trans	-63.7	150.4	170.2	-121.5	-176.1	129.3	0	0	110.1
836	P	32	Very low	32.9	Very low	116 Å²	116	131.5 Å²	131.5	75%	0.753	72%	0.717	S	S	*	*				-154.1	-154.5	60.3	38.7	-13	0	0	0	114
837	P	31.6	Very low	32	Very low	107 Å²	107	137.1 Å²	137.1	70%	0.695	73%	0.731	S	S	*	*				-103.8	162.9	-97.3	33.9	-15.9	0	0	0	115.5
838	S	28.4	Very low	31.3	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	74%	0.743	S	S	*	*			trans	-7.5	128.3	162.2	58.5	0	0	0	0	119.4
839	E	30.4	Very low	30.8	Very low	160 Å²	160	143.7 Å²	143.7	75%	0.748	76%	0.762	S	S	*	*				161.3	130	111.7	-104.2	-176.8	165.6	0	0	113.9
840	Y	31.8	Very low	31.3	Very low	203 Å²	203	142.6 Å²	142.6	80%	0.796	75%	0.751	S	S	*	*			trans	61.8	133.4	167	-63.5	-84.1	0	0	0	118
841	C	25.9	Very low	31.9	Very low	96 Å²	96	145.7 Å²	145.7	65%	0.649	76%	0.761	S	S	*	*			cis	-169.9	156	23.8	-132.5	0	0	0	0	112.8
842	H	30	Very low	33.6	Very low	164 Å²	164	141.7 Å²	141.7	76%	0.759	75%	0.747	S	S	*	*			trans	68.5	93.9	153.5	-72.5	-70.1	0	0	0	123.4
843	S	29.5	Very low	35.9	Very low	124 Å²	124	139 Å²	139	87%	0.867	72%	0.724	S	S	*	*			trans	-145.1	95.5	130.4	68.9	0	0	0	0	110.9
844	S	26.9	Very low	38.6	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	72%	0.716	S	S	*	*			trans	-77.8	127.3	173.1	39	0	0	0	0	111.1
845	I	32.2	Very low	41.1	Very low	138 Å²	138	135.1 Å²	135.1	71%	0.708	69%	0.69	S	S	*	*	S	Bend	trans	160.5	93.4	136	-76.9	159.5	0	0	0	107.8
846	F	29.3	Very low	44	Very low	184 Å²	184	131.9 Å²	131.9	81%	0.807	68%	0.675	S	S	*	*			trans	60.1	80.8	166.1	-55.6	-76.1	0	0	0	120.4
847	K	30.9	Very low	46.7	Very low	196 Å²	196	126.5 Å²	126.5	85%	0.852	64%	0.64	S	S	*	*			trans	-117.9	104.2	136.9	-77.2	-177.4	178.5	178.1	0	107.4	E849	K847-E849 PolarHBondContact O-N 3.43Å
848	H	34.3	Very low	49.5	Very low	146 Å²	146	124 Å²	124	68%	0.676	62%	0.623	S	S	*	*			trans	-72.3	104.3	159.3	-115.2	-85.2	0	0	0	105.8	E850	H848-E850 VanDerWaalsContact C-N 3.31Å; H848-E850 PolarHBondContact O-N 3.35Å; H848-E850 VanDerWaalsContact O-N 3.11Å
849	E	33.1	Very low	52.3	Low	176 Å²	176	119.1 Å²	119.1	82%	0.822	59%	0.588	S	S	*	*			trans	-71.9	93.3	162.4	-73.7	-171.6	160.8	0	0	107.1	K847 K851	K847-E849 PolarHBondContact O-N 3.43Å; E849-K851 PolarHBondContact O-N 2.87Å
850	E	43.7	Very low	54.9	Low	138 Å²	138	116.7 Å²	116.7	65%	0.645	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-64.6	118	165.4	-73.4	-176.6	145.4	0	0	108.1	H848	H848-E850 VanDerWaalsContact C-N 3.31Å; H848-E850 PolarHBondContact O-N 3.35Å; H848-E850 VanDerWaalsContact O-N 3.11Å
851	K	49.5	Very low	57.4	Low	196 Å²	196	107.9 Å²	107.9	85%	0.852	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-61.8	127.1	171.3	-77.7	-178.7	177.3	178.5	0	108.1	E849 R853	E849-K851 PolarHBondContact O-N 2.87Å; K851-R853 PolarHBondContact O-N 3.01Å
852	P	67.2	Low	59.8	Low	46 Å²	46	106 Å²	106	30%	0.299	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-62.8	135.2	179.2	23.8	-31.6	0	0	0	110.6	T854 E935 R936 F937	P852-T854 PolarHBondContact O-N 2.84Å; P852-E935 HydrophobicContact CB-CB 3.97Å; P852-E935 HydrophobicContact CB-CG 4.03Å; P852-E935 HydrophobicContact CG-CG 4.23Å; P852-R936 CarbonylContact C-O 3.54Å; P852-R936 WeakPolarHBondContact CA-O 3.4Å; P852-F937 HydrophobicContact CB-CD1 3.9Å; P852-F937 HydrophobicContact CB-CE1 3.69Å; P852-F937 HydrophobicContact CB-CG 4.47Å; P852-F937 HydrophobicContact CB-CZ 4.07Å; P852-F937 HydrophobicContact CG-CE1 3.97Å; P852-F937 HydrophobicContact CG-CZ 4.42Å
853	R	78.7	Confident	61.4	Low	106 Å²	106	106.3 Å²	106.3	40%	0.4	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.8	172	-75.7	-171.9	176.5	148.7	12.7	109.6	E164 S167 K851 E935 R936	E164-R853 IonicContact OE1-CZ 2.71Å; E164-R853 IonicContact OE1-NE 3.34Å; E164-R853 PolarHBondContact OE1-NE 3.35Å; E164-R853 IonicContact OE1-NH2 2.8Å; E164-R853 PolarHBondContact OE1-NH2 2.74Å; E164-R853 IonicContact OE2-CZ 3.52Å; E164-R853 IonicContact OE2-NE 3.37Å; E164-R853 IonicContact OE2-NH2 3.44Å; E164-R853 PolarHBondContact OE2-NH2 3.36Å; S167-R853 PolarHBondContact OG-NH2 2.95Å; K851-R853 PolarHBondContact O-N 3.01Å; R853-E935 WeakPolarHBondContact O-CA 3.47Å; R853-R936 PolarHBondContact N-O 3.44Å; R853-R936 PolarHBondContact O-N 3.06Å
854	T	83.9	Confident	63.3	Low	90 Å²	90	106.6 Å²	106.6	55%	0.552	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.6	173.9	-48.3	0	0	0	0	110.6	P852 T933 I934	P852-T854 PolarHBondContact O-N 2.84Å; T854-T933 HydrophobicContact CG2-CG2 3.44Å; T854-T933 VanDerWaalsContact CG2-CG2 3.44Å; T854-I934 CarbonylContact C-O 3.47Å; T854-I934 VanDerWaalsContact CA-O 3.23Å; T854-I934 WeakPolarHBondContact CA-O 3.41Å
855	L	86	Confident	65.8	Low	66 Å²	66	105.7 Å²	105.7	35%	0.346	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.4	177.4	-58.3	160.1	0	0	0	110.1	T933 I934 R936	L855-T933 WeakPolarHBondContact O-CA 3.48Å; L855-I934 HydrophobicContact CB-CD1 3.99Å; L855-I934 HydrophobicContact CB-CG1 3.68Å; L855-I934 HydrophobicContact CD1-CD1 3.88Å; L855-I934 HydrophobicContact CD1-CG1 4.43Å; L855-I934 HydrophobicContact CG-CD1 4.5Å; L855-I934 PolarHBondContact N-O 3.24Å; L855-I934 WeakPolarHBondContact O-CG1 3.42Å; L855-I934 PolarHBondContact O-N 2.64Å; L855-R936 HydrophobicContact CD1-CB 4.39Å
856	Q	88.2	Confident	68.3	Low	117 Å²	117	103.7 Å²	103.7	55%	0.547	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128	169.8	-70.4	-172	10	0	0	110.2	L932 T933	Q856-L932 CarbonylContact C-O 3.56Å; Q856-L932 WeakPolarHBondContact CA-O 3.17Å; Q856-T933 HydrophobicContact CG-CG2 4.34Å
857	V	89.4	Confident	70.9	Confident	4 Å²	4	95.4 Å²	95.4	2%	0.024	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.4	179.6	-177.3	0	0	0	0	109.1	L859 R896 L897 R931 L932	V857-L859 HydrophobicContact CG1-CD2 3.81Å; V857-L859 HydrophobicContact CG1-CG 4.02Å; V857-R896 HydrophobicContact CG1-CB 4.17Å; V857-R896 HydrophobicContact CG2-CB 4.08Å; V857-L897 HydrophobicContact CB-CD2 4.07Å; V857-L897 HydrophobicContact CG1-CD2 4.18Å; V857-L897 HydrophobicContact CG1-CG 4.17Å; V857-L897 HydrophobicContact CG2-CD2 3.83Å; V857-R931 CarbonylContact O-C 3.59Å; V857-L932 PolarHBondContact N-O 3.21Å; V857-L932 PolarHBondContact O-N 2.99Å
858	V	90.6	Very high	73.5	Confident	55 Å²	55	86.6 Å²	86.6	33%	0.333	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.7	176.3	-178.4	0	0	0	0	108.6	R896 V930 R931	V858-R896 PolarHBondContact O-NH2 3.1Å; V858-V930 WeakPolarHBondContact CA-O 3.3Å; V858-R931 HydrophobicContact CG2-CB 4.37Å; V858-R931 HydrophobicContact CG2-CG 4.23Å
859	L	87.2	Confident	76	Confident	0 Å²	0	81 Å²	81	0%	0	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.6	-179.5	-62.5	-179.5	0	0	0	110.6	V857 L867 V890 A891 D894 L897 S929 V930 L932	V857-L859 HydrophobicContact CG1-CD2 3.81Å; V857-L859 HydrophobicContact CG1-CG 4.02Å; L859-L867 HydrophobicContact CB-CD2 3.74Å; L859-L867 HydrophobicContact CD1-CD2 3.73Å; L859-L867 HydrophobicContact CG-CD2 4.4Å; L859-V890 HydrophobicContact CB-CG1 4.15Å; L859-A891 HydrophobicContact CD1-CB 4.26Å; L859-D894 HydrophobicContact CD2-CB 3.34Å; L859-D894 WeakPolarHBondContact CD2-OD2 3.36Å; L859-L897 HydrophobicContact CD1-CD1 3.68Å; L859-S929 WeakPolarHBondContact O-CA 3.46Å; L859-V930 PolarHBondContact N-O 2.73Å; L859-V930 PolarHBondContact O-N 2.68Å; L859-L932 HydrophobicContact CD1-CD1 4.03Å
860	N	85	Confident	78.6	Confident	110 Å²	110	74.8 Å²	74.8	59%	0.588	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.2	177	-64.2	-33.7	0	0	0	109.8	V890 S929	N860-V890 WeakPolarHBondContact O-CG1 3.44Å; N860-S929 WeakPolarHBondContact OD1-CB 3.3Å; N860-S929 PolarHBondContact OD1-OG 2.73Å
861	K	83.3	Confident	80.6	Confident	17 Å²	17	69.2 Å²	69.2	7%	0.074	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.5	176.9	73	-179.2	-163.8	165.1	0	111.3	Q865 L867 V890 L923 K924 A926 G928 V930	K861-Q865 WeakPolarHBondContact CD-O 3.43Å; K861-L867 HydrophobicContact CB-CD2 4.31Å; K861-L867 HydrophobicContact CD-CD2 4Å; K861-L867 HydrophobicContact CD-CG 4Å; K861-V890 HydrophobicContact CB-CG2 4.11Å; K861-L923 PolarHBondContact NZ-O 2.8Å; K861-K924 PolarHBondContact NZ-O 3.37Å; K861-A926 WeakPolarHBondContact CE-O 3.46Å; K861-A926 PolarHBondContact NZ-O 3.44Å; K861-G928 PolarHBondContact N-O 3.15Å; K861-V930 HydrophobicContact CD-CG2 4.19Å; K861-V930 HydrophobicContact CG-CG2 4.47Å
862	A	76.1	Confident	82	Confident	57 Å²	57	60.7 Å²	60.7	47%	0.471	35%	0.345	S	S	.	.			trans	-69	157.9	172.1	0	0	0	0	0	111.2	S864 Q865	A862-S864 PolarHBondContact O-N 2.84Å; A862-Q865 HydrophobicContact CB-CB 4.2Å; A862-Q865 WeakPolarHBondContact O-CB 3.15Å; A862-Q865 PolarHBondContact O-N 2.88Å
863	E	65	Low	82.4	Confident	171 Å²	171	63.1 Å²	63.1	80%	0.799	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	126.9	172	-117.7	173.8	-179.9	0	0	109.3	Q865	E863-Q865 PolarHBondContact O-N 2.75Å
864	S	68.7	Low	81.8	Confident	130 Å²	130	60.5 Å²	60.5	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-4.9	-173.6	80.8	0	0	0	0	119	A862	A862-S864 PolarHBondContact O-N 2.84Å
865	Q	80	Confident	80.6	Confident	76 Å²	76	59.9 Å²	59.9	36%	0.355	34%	0.344	S	S	.	.			trans	-79	131.1	179.9	-170.2	-178	11.6	0	0	112.1	K861 A862 E863 V890	K861-Q865 WeakPolarHBondContact CD-O 3.43Å; A862-Q865 HydrophobicContact CB-CB 4.2Å; A862-Q865 WeakPolarHBondContact O-CB 3.15Å; A862-Q865 PolarHBondContact O-N 2.88Å; E863-Q865 PolarHBondContact O-N 2.75Å; Q865-V890 VanDerWaalsContact CD-CG2 3.45Å; Q865-V890 HydrophobicContact CG-CG2 4.07Å
866	P	83.2	Confident	78.4	Confident	96 Å²	96	62 Å²	62	62%	0.623	36%	0.359	S	S	*	.			trans	-74.6	144.5	173.9	30.1	-33.6	0	0	0	111.5	G868	P866-G868 PolarHBondContact O-N 3.14Å
867	L	84.5	Confident	77.1	Confident	10 Å²	10	59 Å²	59	5%	0.052	36%	0.36	C	S	.	.			trans	-64.6	-25	173.7	-71.4	166.6	0	0	0	112.8	L859 K861 L869 S889 V890 A891 L923 V930	L859-L867 HydrophobicContact CB-CD2 3.74Å; L859-L867 HydrophobicContact CD1-CD2 3.73Å; L859-L867 HydrophobicContact CG-CD2 4.4Å; K861-L867 HydrophobicContact CB-CD2 4.31Å; K861-L867 HydrophobicContact CD-CD2 4Å; K861-L867 HydrophobicContact CD-CG 4Å; L867-L869 HydrophobicContact CB-CG 4.4Å; L867-S889 WeakPolarHBondContact O-CB 3.47Å; L867-S889 PolarHBondContact O-OG 2.77Å; L867-V890 HydrophobicContact CD2-CB 4.37Å; L867-V890 HydrophobicContact CD2-CG1 4.2Å; L867-A891 WeakPolarHBondContact O-CB 3.34Å; L867-A891 PolarHBondContact O-N 2.79Å; L867-L923 HydrophobicContact CD1-CB 4.19Å; L867-L923 HydrophobicContact CD1-CD2 3.8Å; L867-L923 HydrophobicContact CD1-CG 4.41Å; L867-V930 HydrophobicContact CD1-CG1 4.45Å
868	G	86.4	Confident	76.1	Confident	11 Å²	11	63.1 Å²	63.1	11%	0.113	39%	0.394	C	S	.	.			trans	80.6	28.7	-178.1	0	0	0	0	0	115	P866 I885 S886 S889	P866-G868 PolarHBondContact O-N 3.14Å; G868-I885 WeakPolarHBondContact O-CA 3.45Å; G868-S886 PolarHBondContact O-N 2.74Å; G868-S889 VanDerWaalsContact CA-CB 3.49Å
869	L	87.2	Confident	75.5	Confident	29 Å²	29	61.3 Å²	61.3	15%	0.152	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.4	174.3	-60.5	176.2	0	0	0	110.7	L867 L871 I882 I885 A891 L897 L932	L867-L869 HydrophobicContact CB-CG 4.4Å; L869-L871 HydrophobicContact CB-CD2 4.32Å; L869-I882 HydrophobicContact CD2-CD1 4.12Å; L869-I882 HydrophobicContact CD2-CG2 4.1Å; L869-I885 HydrophobicContact CD2-CD1 4.38Å; L869-I885 HydrophobicContact CD2-CG1 3.9Å; L869-I885 HydrophobicContact CD2-CG2 4.38Å; L869-A891 HydrophobicContact CD2-CB 3.48Å; L869-A891 VanDerWaalsContact CD2-CB 3.48Å; L869-A891 HydrophobicContact CG-CB 3.93Å; L869-L897 HydrophobicContact CD1-CD1 3.73Å; L869-L897 HydrophobicContact CD2-CD1 3.86Å; L869-L897 HydrophobicContact CG-CD1 4.35Å; L869-L932 HydrophobicContact CD1-CD1 4.23Å
870	S	85.7	Confident	75.4	Confident	46 Å²	46	61.4 Å²	61.4	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.6	163.9	-175.8	0	0	0	0	108.4	R883 S884	S870-R883 WeakPolarHBondContact O-CB 3.4Å; S870-R883 PolarHBondContact O-N 3.35Å; S870-S884 WeakPolarHBondContact CB-OG 3.42Å; S870-S884 PolarHBondContact N-O 2.88Å; S870-S884 PolarHBondContact O-N 2.95Å
871	L	86.6	Confident	75.5	Confident	20 Å²	20	58.4 Å²	58.4	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.5	-175.6	-56.1	-177.6	0	0	0	111.2	L869 I880 F881 I882 I903 V919 V920 L923	L869-L871 HydrophobicContact CB-CD2 4.32Å; L871-I880 HydrophobicContact CB-CG2 3.88Å; L871-I880 HydrophobicContact CD1-CG2 3.96Å; L871-I880 HydrophobicContact CD2-CG2 4.4Å; L871-I880 HydrophobicContact CG-CG2 4.3Å; L871-F881 CarbonylContact C-O 3.56Å; L871-F881 WeakPolarHBondContact CA-O 3.5Å; L871-I882 HydrophobicContact CD2-CG1 4.33Å; L871-I903 HydrophobicContact CD1-CD1 4.35Å; L871-I903 HydrophobicContact CD2-CD1 3.49Å; L871-I903 VanDerWaalsContact CD2-CD1 3.49Å; L871-V919 HydrophobicContact CD1-CB 4.32Å; L871-V919 HydrophobicContact CD1-CG1 3.59Å; L871-V920 HydrophobicContact CD1-CG2 4.1Å; L871-V920 HydrophobicContact CG-CG2 4.49Å; L871-L923 HydrophobicContact CD1-CD1 3.84Å
872	G	78.3	Confident	75.8	Confident	18 Å²	18	57.7 Å²	57.7	19%	0.186	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.5	175.4	0	0	0	0	0	112.5	F881	G872-F881 PolarHBondContact N-O 2.88Å; G872-F881 PolarHBondContact O-N 3.43Å
873	K	76.2	Confident	76.2	Confident	97 Å²	97	63.9 Å²	63.9	42%	0.422	38%	0.377	S	S	.	.			trans	-96	135.3	164.4	-80.9	177.9	175.8	-179.2	0	108.5	G879 I880 L914 P916	K873-G879 WeakPolarHBondContact CG-O 3.23Å; K873-I880 HydrophobicContact CG-CG1 4.15Å; K873-L914 WeakPolarHBondContact CE-O 3.47Å; K873-L914 PolarHBondContact NZ-O 2.74Å; K873-P916 HydrophobicContact CD-CG 3.81Å; K873-P916 HydrophobicContact CG-CG 3.74Å
874	P	66.5	Low	77.2	Confident	50 Å²	50	58.1 Å²	58.1	33%	0.325	36%	0.356	S	S	.	.			trans	-66.9	150.8	175.2	27.5	-32.6	0	0	0	110.3	T876 F881	P874-T876 PolarHBondContact O-N 2.75Å; P874-F881 HydrophobicContact CG-CD2 4.02Å; P874-F881 HydrophobicContact CG-CE2 3.65Å; P874-F881 HydrophobicContact CG-CZ 4.44Å
875	V	57.9	Low	78.1	Confident	78 Å²	78	53.9 Å²	53.9	47%	0.473	32%	0.323	S	S	.	.	S	Bend	trans	-67.4	-26.5	-179.4	-177.3	0	0	0	0	111.6
876	T	41.3	Very low	78.4	Confident	109 Å²	109	53 Å²	53	67%	0.669	33%	0.325	S	S	*	.	S	Bend	trans	-136.2	89	176.1	56.1	0	0	0	0	108.6	P874	P874-T876 PolarHBondContact O-N 2.75Å
877	G	60.2	Low	78.4	Confident	55 Å²	55	54.8 Å²	54.8	57%	0.567	34%	0.337	S	S	*	.	S	Bend	trans	158.8	160.7	178.1	0	0	0	0	0	112.7
878	A	67.6	Low	78.4	Confident	90 Å²	90	57.3 Å²	57.3	74%	0.744	37%	0.366	S	S	*	.	S	Bend	trans	-97.8	153	173.7	0	0	0	0	0	111.1
879	G	78.5	Confident	78.5	Confident	17 Å²	17	57.5 Å²	57.5	18%	0.175	37%	0.365	C	S	.	.	S	Bend	trans	104.6	169.9	177.2	0	0	0	0	0	115	K873	K873-G879 WeakPolarHBondContact CG-O 3.23Å
880	I	85.1	Confident	78.6	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.3	-177.8	-68.7	173.1	0	0	0	108.9	L871 K873 K902 I903 I911 P916 V919	L871-I880 HydrophobicContact CB-CG2 3.88Å; L871-I880 HydrophobicContact CD1-CG2 3.96Å; L871-I880 HydrophobicContact CD2-CG2 4.4Å; L871-I880 HydrophobicContact CG-CG2 4.3Å; K873-I880 HydrophobicContact CG-CG1 4.15Å; I880-K902 CarbonylContact O-C 3.58Å; I880-K902 WeakPolarHBondContact O-CA 3.19Å; I880-I903 PolarHBondContact O-N 3.19Å; I880-I911 HydrophobicContact CB-CD1 4.31Å; I880-I911 HydrophobicContact CD1-CD1 4.35Å; I880-P916 HydrophobicContact CD1-CG 4.48Å; I880-P916 HydrophobicContact CG1-CG 4.49Å; I880-V919 HydrophobicContact CD1-CB 4.01Å; I880-V919 HydrophobicContact CD1-CG1 4.37Å; I880-V919 HydrophobicContact CD1-CG2 3.33Å
881	F	87.6	Confident	78.9	Confident	47 Å²	47	54.5 Å²	54.5	21%	0.206	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.1	-171.2	-64.8	-105.7	0	0	0	111.2	L871 G872 P874 R883 G900 D901 K902 F937	L871-F881 CarbonylContact C-O 3.56Å; L871-F881 WeakPolarHBondContact CA-O 3.5Å; G872-F881 PolarHBondContact N-O 2.88Å; G872-F881 PolarHBondContact O-N 3.43Å; P874-F881 HydrophobicContact CG-CD2 4.02Å; P874-F881 HydrophobicContact CG-CE2 3.65Å; P874-F881 HydrophobicContact CG-CZ 4.44Å; F881-R883 PolarHBondContact O-N 3.2Å; F881-G900 WeakPolarHBondContact CD1-O 3.26Å; F881-D901 CarbonylContact C-O 3.52Å; F881-D901 VanDerWaalsContact CA-O 3.3Å; F881-D901 WeakPolarHBondContact CA-O 3.48Å; F881-K902 HydrophobicContact CD1-CB 3.84Å; F881-K902 HydrophobicContact CE1-CB 3.63Å; F881-K902 HydrophobicContact CE1-CD 4.37Å; F881-K902 HydrophobicContact CE1-CG 4.18Å; F881-K902 HydrophobicContact CE2-CG 4.32Å; F881-K902 HydrophobicContact CG-CB 4.43Å; F881-K902 HydrophobicContact CZ-CB 4.03Å; F881-K902 HydrophobicContact CZ-CD 3.99Å; F881-K902 HydrophobicContact CZ-CG 4.05Å; F881-F937 HydrophobicContact CE1-CD2 4.3Å; F881-F937 AromaticContact CE1-CE2 3.94Å; F881-F937 HydrophobicContact CE1-CE2 3.94Å; F881-F937 HydrophobicContact CZ-CE2 4.4Å
882	I	88.6	Confident	78.9	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	110.4	172.4	-58.6	-177.5	0	0	0	108.8	L869 L871 I885 L897 V899 G900 D901 I903	L869-I882 HydrophobicContact CD2-CD1 4.12Å; L869-I882 HydrophobicContact CD2-CG2 4.1Å; L871-I882 HydrophobicContact CD2-CG1 4.33Å; I882-I885 HydrophobicContact CG2-CD1 4.22Å; I882-I885 HydrophobicContact CG2-CG1 3.7Å; I882-L897 HydrophobicContact CD1-CB 3.99Å; I882-L897 HydrophobicContact CD1-CD1 4.1Å; I882-L897 HydrophobicContact CD1-CD2 4.06Å; I882-L897 HydrophobicContact CD1-CG 4.29Å; I882-V899 WeakPolarHBondContact O-CA 3.45Å; I882-G900 PolarHBondContact O-N 3.46Å; I882-D901 HydrophobicContact CD1-CB 3.96Å; I882-D901 HydrophobicContact CG1-CB 4.31Å; I882-D901 PolarHBondContact N-O 3.1Å; I882-I903 HydrophobicContact CG1-CD1 4.12Å; I882-I903 HydrophobicContact CG1-CG1 4.17Å
883	R	85.4	Confident	79.4	Confident	186 Å²	186	60.9 Å²	60.9	70%	0.702	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-37	179.8	-174.3	176.4	-175.6	172.9	4.2	112.9	S870 F881 V899	S870-R883 WeakPolarHBondContact O-CB 3.4Å; S870-R883 PolarHBondContact O-N 3.35Å; F881-R883 PolarHBondContact O-N 3.2Å; R883-V899 WeakPolarHBondContact O-CG1 3.03Å
884	S	85.4	Confident	80	Confident	51 Å²	51	58.8 Å²	58.8	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	152.9	175.3	69.1	0	0	0	0	110.7	S870	S870-S884 WeakPolarHBondContact CB-OG 3.42Å; S870-S884 PolarHBondContact N-O 2.88Å; S870-S884 PolarHBondContact O-N 2.95Å
885	I	88	Confident	80.9	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.205	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.8	173.3	-54	-179.8	0	0	0	107.6	G868 L869 I882 A891 A892 L897 V899	G868-I885 WeakPolarHBondContact O-CA 3.45Å; L869-I885 HydrophobicContact CD2-CD1 4.38Å; L869-I885 HydrophobicContact CD2-CG1 3.9Å; L869-I885 HydrophobicContact CD2-CG2 4.38Å; I882-I885 HydrophobicContact CG2-CD1 4.22Å; I882-I885 HydrophobicContact CG2-CG1 3.7Å; I885-A891 HydrophobicContact CG2-CB 3.88Å; I885-A892 HydrophobicContact CG2-CB 3.93Å; I885-L897 HydrophobicContact CD1-CB 3.99Å; I885-L897 WeakPolarHBondContact CD1-O 3.28Å; I885-V899 HydrophobicContact CG1-CG2 4.3Å
886	S	86.1	Confident	82.3	Confident	58 Å²	58	60.7 Å²	60.7	41%	0.406	38%	0.382	S	S	.	.			trans	-72	127.4	-177.3	-65.5	0	0	0	0	110.7	G868 G888 S889 A892	G868-S886 PolarHBondContact O-N 2.74Å; S886-G888 PolarHBondContact O-N 2.83Å; S886-S889 VanDerWaalsContact O-CB 3.26Å; S886-S889 WeakPolarHBondContact O-CB 3.1Å; S886-S889 PolarHBondContact O-N 3.32Å; S886-S889 PolarHBondContact O-OG 2.81Å; S886-A892 VanDerWaalsContact O-CB 3.28Å; S886-A892 WeakPolarHBondContact O-CB 3.49Å
887	P	83.5	Confident	84.6	Confident	133 Å²	133	55.9 Å²	55.9	86%	0.864	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	137.1	174.9	-25.1	33.8	0	0	0	112	S889	P887-S889 VanDerWaalsContact C-N 3.26Å; P887-S889 PolarHBondContact O-N 2.84Å
888	G	84	Confident	86	Confident	64 Å²	64	60.3 Å²	60.3	66%	0.66	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	4.7	179.6	0	0	0	0	0	115.8	S886	S886-G888 PolarHBondContact O-N 2.83Å
889	S	89.8	Confident	86.8	Confident	14 Å²	14	58.9 Å²	58.9	10%	0.098	33%	0.333	C	S	.	.	S	Bend	trans	-81.6	169.1	174.4	67.5	0	0	0	0	113.2	L867 G868 S886 P887 A891 A892 I893	L867-S889 WeakPolarHBondContact O-CB 3.47Å; L867-S889 PolarHBondContact O-OG 2.77Å; G868-S889 VanDerWaalsContact CA-CB 3.49Å; S886-S889 VanDerWaalsContact O-CB 3.26Å; S886-S889 WeakPolarHBondContact O-CB 3.1Å; S886-S889 PolarHBondContact O-N 3.32Å; S886-S889 PolarHBondContact O-OG 2.81Å; P887-S889 VanDerWaalsContact C-N 3.26Å; P887-S889 PolarHBondContact O-N 2.84Å; S889-A891 VanDerWaalsContact C-N 3.29Å; S889-A891 PolarHBondContact O-N 2.93Å; S889-A892 PolarHBondContact O-N 3.22Å; S889-A892 VanDerWaalsContact O-N 3.1Å; S889-A892 PolarHBondContact OG-N 2.91Å; S889-I893 VanDerWaalsContact O-CG1 3.25Å; S889-I893 WeakPolarHBondContact O-CG1 3.43Å; S889-I893 PolarHBondContact O-N 2.86Å
890	V	89.3	Confident	87	Confident	13 Å²	13	60 Å²	60	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-54.5	-44.9	175.8	-178.8	0	0	0	0	111.5	L859 N860 K861 Q865 L867 I893 D894	L859-V890 HydrophobicContact CB-CG1 4.15Å; N860-V890 WeakPolarHBondContact O-CG1 3.44Å; K861-V890 HydrophobicContact CB-CG2 4.11Å; Q865-V890 VanDerWaalsContact CD-CG2 3.45Å; Q865-V890 HydrophobicContact CG-CG2 4.07Å; L867-V890 HydrophobicContact CD2-CB 4.37Å; L867-V890 HydrophobicContact CD2-CG1 4.2Å; V890-I893 PolarHBondContact O-N 3.03Å; V890-D894 WeakPolarHBondContact O-CB 3.47Å; V890-D894 PolarHBondContact O-N 3.48Å
891	A	90	Very high	87.2	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-35.8	178.4	0	0	0	0	0	112.9	L859 L867 L869 I885 S889 G895 L897	L859-A891 HydrophobicContact CD1-CB 4.26Å; L867-A891 WeakPolarHBondContact O-CB 3.34Å; L867-A891 PolarHBondContact O-N 2.79Å; L869-A891 HydrophobicContact CD2-CB 3.48Å; L869-A891 VanDerWaalsContact CD2-CB 3.48Å; L869-A891 HydrophobicContact CG-CB 3.93Å; I885-A891 HydrophobicContact CG2-CB 3.88Å; S889-A891 VanDerWaalsContact C-N 3.29Å; S889-A891 PolarHBondContact O-N 2.93Å; A891-G895 PolarHBondContact O-N 3.39Å; A891-L897 HydrophobicContact CB-CD1 4.12Å
892	A	88.4	Confident	87.2	Confident	40 Å²	40	60 Å²	60	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-71.1	-37.4	176	0	0	0	0	0	112.4	I885 S886 S889	I885-A892 HydrophobicContact CG2-CB 3.93Å; S886-A892 VanDerWaalsContact O-CB 3.28Å; S886-A892 WeakPolarHBondContact O-CB 3.49Å; S889-A892 PolarHBondContact O-N 3.22Å; S889-A892 VanDerWaalsContact O-N 3.1Å; S889-A892 PolarHBondContact OG-N 2.91Å
893	I	87.7	Confident	87.2	Confident	132 Å²	132	60 Å²	60	68%	0.677	34%	0.344	S	S	*	.	H	α-helix	trans	-69.4	-40.3	178.4	-67.5	164.1	0	0	0	110.7	S889 V890	S889-I893 VanDerWaalsContact O-CG1 3.25Å; S889-I893 WeakPolarHBondContact O-CG1 3.43Å; S889-I893 PolarHBondContact O-N 2.86Å; V890-I893 PolarHBondContact O-N 3.03Å
894	D	89.7	Confident	87.3	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-35.2	177.5	-175.6	86.7	0	0	0	113	L859 V890 R896	L859-D894 HydrophobicContact CD2-CB 3.34Å; L859-D894 WeakPolarHBondContact CD2-OD2 3.36Å; V890-D894 WeakPolarHBondContact O-CB 3.47Å; V890-D894 PolarHBondContact O-N 3.48Å; D894-R896 PolarHBondContact O-N 3.19Å; D894-R896 IonicContact OD1-CZ 3.56Å; D894-R896 IonicContact OD1-NE 3.47Å; D894-R896 PolarHBondContact OD1-NE 2.87Å; D894-R896 IonicContact OD1-NH2 3.86Å; D894-R896 PolarHBondContact OD1-NH2 2.83Å; D894-R896 WeakPolarHBondContact OD2-CB 3.36Å; D894-R896 IonicContact OD2-CZ 3.98Å; D894-R896 PolarHBondContact OD2-N 3.4Å; D894-R896 IonicContact OD2-NE 3.17Å; D894-R896 PolarHBondContact OD2-NE 3.31Å; D894-R896 IonicContact OD2-NH2 2.74Å; D894-R896 PolarHBondContact OD2-NH2 2.86Å
895	G	85	Confident	87.4	Confident	51 Å²	51	51.4 Å²	51.4	53%	0.526	31%	0.309	S	S	.	.			trans	73	-8.6	170.1	0	0	0	0	0	116.6	A891	A891-G895 PolarHBondContact O-N 3.39Å
896	R	87.9	Confident	87.4	Confident	117 Å²	117	49.8 Å²	49.8	44%	0.442	30%	0.3	S	S	.	.			trans	-75.9	-28.7	-179.7	-66.3	179.2	-72.6	178.5	-6.1	113.7	V857 V858 D894 R936	V857-R896 HydrophobicContact CG1-CB 4.17Å; V857-R896 HydrophobicContact CG2-CB 4.08Å; V858-R896 PolarHBondContact O-NH2 3.1Å; D894-R896 PolarHBondContact O-N 3.19Å; D894-R896 IonicContact OD1-CZ 3.56Å; D894-R896 IonicContact OD1-NE 3.47Å; D894-R896 PolarHBondContact OD1-NE 2.87Å; D894-R896 IonicContact OD1-NH2 3.86Å; D894-R896 PolarHBondContact OD1-NH2 2.83Å; D894-R896 WeakPolarHBondContact OD2-CB 3.36Å; D894-R896 IonicContact OD2-CZ 3.98Å; D894-R896 PolarHBondContact OD2-N 3.4Å; D894-R896 IonicContact OD2-NE 3.17Å; D894-R896 PolarHBondContact OD2-NE 3.31Å; D894-R896 IonicContact OD2-NH2 2.74Å; D894-R896 PolarHBondContact OD2-NH2 2.86Å; R896-R936 PolarHBondContact O-NH2 3Å
897	L	89.4	Confident	87.2	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	30%	0.303	C	S	.	.			trans	-80.8	142	177	-64.4	-178.9	0	0	0	111.6	V857 L859 L869 I882 I885 A891 L932 I934	V857-L897 HydrophobicContact CB-CD2 4.07Å; V857-L897 HydrophobicContact CG1-CD2 4.18Å; V857-L897 HydrophobicContact CG1-CG 4.17Å; V857-L897 HydrophobicContact CG2-CD2 3.83Å; L859-L897 HydrophobicContact CD1-CD1 3.68Å; L869-L897 HydrophobicContact CD1-CD1 3.73Å; L869-L897 HydrophobicContact CD2-CD1 3.86Å; L869-L897 HydrophobicContact CG-CD1 4.35Å; I882-L897 HydrophobicContact CD1-CB 3.99Å; I882-L897 HydrophobicContact CD1-CD1 4.1Å; I882-L897 HydrophobicContact CD1-CD2 4.06Å; I882-L897 HydrophobicContact CD1-CG 4.29Å; I885-L897 HydrophobicContact CD1-CB 3.99Å; I885-L897 WeakPolarHBondContact CD1-O 3.28Å; A891-L897 HydrophobicContact CB-CD1 4.12Å; L897-L932 HydrophobicContact CD1-CD1 3.96Å; L897-I934 HydrophobicContact CD2-CD1 4.28Å; L897-I934 HydrophobicContact CD2-CG2 4.06Å
898	R	88.6	Confident	86.8	Confident	148 Å²	148	48.4 Å²	48.4	56%	0.558	29%	0.289	S	S	*	.			trans	-127.5	152.5	179.1	-64.7	-177.3	-174.3	-180	-1.8	111.3	G900 D901	R898-G900 PolarHBondContact O-N 3.34Å; R898-D901 PolarHBondContact N-OD2 3Å; R898-D901 WeakPolarHBondContact O-CB 3.4Å; R898-D901 VanDerWaalsContact O-CG 3.32Å; R898-D901 PolarHBondContact O-N 3.22Å
899	V	85.6	Confident	86.5	Confident	61 Å²	61	50.3 Å²	50.3	37%	0.37	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	126.1	168.9	176.7	0	0	0	0	108.5	I882 R883 I885	I882-V899 WeakPolarHBondContact O-CA 3.45Å; R883-V899 WeakPolarHBondContact O-CG1 3.03Å; I885-V899 HydrophobicContact CG1-CG2 4.3Å
900	G	82.2	Confident	85.9	Confident	39 Å²	39	56.6 Å²	56.6	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.7	-11.5	-174	0	0	0	0	0	114.9	F881 I882 R898 K902	F881-G900 WeakPolarHBondContact CD1-O 3.26Å; I882-G900 PolarHBondContact O-N 3.46Å; R898-G900 PolarHBondContact O-N 3.34Å; G900-K902 PolarHBondContact O-N 2.81Å
901	D	88.6	Confident	85.4	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.9	132.1	173.4	-67.9	-18.6	0	0	0	110.4	F881 I882 R898 I934 R936	F881-D901 CarbonylContact C-O 3.52Å; F881-D901 VanDerWaalsContact CA-O 3.3Å; F881-D901 WeakPolarHBondContact CA-O 3.48Å; I882-D901 HydrophobicContact CD1-CB 3.96Å; I882-D901 HydrophobicContact CG1-CB 4.31Å; I882-D901 PolarHBondContact N-O 3.1Å; R898-D901 PolarHBondContact N-OD2 3Å; R898-D901 WeakPolarHBondContact O-CB 3.4Å; R898-D901 VanDerWaalsContact O-CG 3.32Å; R898-D901 PolarHBondContact O-N 3.22Å; D901-I934 HydrophobicContact CB-CB 4.28Å; D901-I934 HydrophobicContact CB-CD1 3.85Å; D901-I934 HydrophobicContact CB-CG2 4.42Å; D901-I934 VanDerWaalsContact CG-CD1 3.43Å; D901-I934 WeakPolarHBondContact OD2-CD1 3.49Å; D901-R936 VanDerWaalsContact CG-NH2 3.34Å; D901-R936 IonicContact OD1-CZ 2.81Å; D901-R936 IonicContact OD1-NE 3.88Å; D901-R936 PolarHBondContact OD1-NE 2.88Å; D901-R936 IonicContact OD1-NH2 3.71Å; D901-R936 PolarHBondContact OD1-NH2 3.24Å; D901-R936 VanDerWaalsContact OD1-NH2 3.14Å; D901-R936 IonicContact OD2-CZ 3.58Å; D901-R936 IonicContact OD2-NE 2.67Å; D901-R936 IonicContact OD2-NH2 2.85Å; D901-R936 PolarHBondContact OD2-NH2 3.42Å
902	K	88.4	Confident	83.9	Confident	47 Å²	47	60 Å²	60	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.9	172.8	177.3	-177.5	165	-156.4	0	108.9	I880 F881 G900 I934 E935 F937	I880-K902 CarbonylContact O-C 3.58Å; I880-K902 WeakPolarHBondContact O-CA 3.19Å; F881-K902 HydrophobicContact CD1-CB 3.84Å; F881-K902 HydrophobicContact CE1-CB 3.63Å; F881-K902 HydrophobicContact CE1-CD 4.37Å; F881-K902 HydrophobicContact CE1-CG 4.18Å; F881-K902 HydrophobicContact CE2-CG 4.32Å; F881-K902 HydrophobicContact CG-CB 4.43Å; F881-K902 HydrophobicContact CZ-CB 4.03Å; F881-K902 HydrophobicContact CZ-CD 3.99Å; F881-K902 HydrophobicContact CZ-CG 4.05Å; G900-K902 PolarHBondContact O-N 2.81Å; K902-I934 CarbonylContact O-C 3.58Å; K902-I934 WeakPolarHBondContact O-CA 3.22Å; K902-I934 WeakPolarHBondContact O-CB 3.45Å; K902-E935 HydrophobicContact CB-CB 4.11Å; K902-E935 HydrophobicContact CD-CB 4.35Å; K902-E935 WeakPolarHBondContact CD-OE2 3.37Å; K902-E935 WeakPolarHBondContact CE-OE2 3.45Å; K902-E935 PolarHBondContact N-O 3Å; K902-E935 IonicContact NZ-OE2 3.91Å; K902-E935 PolarHBondContact NZ-OE2 2.67Å; K902-E935 PolarHBondContact O-N 3.33Å; K902-F937 HydrophobicContact CB-CE2 3.89Å; K902-F937 HydrophobicContact CD-CE2 3.92Å; K902-F937 HydrophobicContact CD-CZ 4.04Å
903	I	89	Confident	82.8	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.1	174	-53.4	-180	0	0	0	107.8	L871 I880 I882 I906 I911 I934	L871-I903 HydrophobicContact CD1-CD1 4.35Å; L871-I903 HydrophobicContact CD2-CD1 3.49Å; L871-I903 VanDerWaalsContact CD2-CD1 3.49Å; I880-I903 PolarHBondContact O-N 3.19Å; I882-I903 HydrophobicContact CG1-CD1 4.12Å; I882-I903 HydrophobicContact CG1-CG1 4.17Å; I903-I906 HydrophobicContact CG2-CG1 4.08Å; I903-I911 HydrophobicContact CB-CD1 3.77Å; I903-I911 HydrophobicContact CG2-CD1 3.49Å; I903-I911 VanDerWaalsContact CG2-CD1 3.49Å; I903-I911 HydrophobicContact CG2-CG1 4.45Å; I903-I911 WeakPolarHBondContact O-CD1 3.27Å; I903-I934 HydrophobicContact CG1-CG2 4.31Å
904	C	86.6	Confident	81.9	Confident	16 Å²	16	61 Å²	61	11%	0.108	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-36.7	-179.2	-61.4	0	0	0	0	112.1	I911 T933 E935	C904-I911 PolarHBondContact O-N 3.05Å; C904-I911 VanDerWaalsContact O-N 3.16Å; C904-T933 PolarHBondContact N-O 3.16Å; C904-E935 WeakPolarHBondContact SG-CG 2.7Å; C904-E935 PolarHBondContact SG-OE1 3.01Å; C904-E935 VanDerWaalsContact SG-OE1 3.32Å
905	M	87.9	Confident	81	Confident	41 Å²	41	63 Å²	63	20%	0.202	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.9	178.2	-58.8	171	-115	0	0	112.5	E909 F910 L932 T933	M905-E909 CarbonylContact C-O 3.58Å; M905-E909 WeakPolarHBondContact CA-O 3.42Å; M905-E909 WeakPolarHBondContact CB-O 3.4Å; M905-F910 HydrophobicContact CE-CE1 4.01Å; M905-F910 HydrophobicContact CE-CZ 3.98Å; M905-F910 HydrophobicContact CG-CD1 3.85Å; M905-F910 HydrophobicContact CG-CD2 4.4Å; M905-F910 HydrophobicContact CG-CE1 3.97Å; M905-F910 HydrophobicContact CG-CE2 4.5Å; M905-F910 HydrophobicContact CG-CG 4.09Å; M905-F910 HydrophobicContact CG-CZ 4.29Å; M905-F910 HydrophobicContact SD-CE1 4.14Å; M905-F910 HydrophobicContact SD-CE2 4.14Å; M905-F910 HydrophobicContact SD-CZ 3.93Å; M905-L932 WeakPolarHBondContact O-CA 3.23Å; M905-T933 HydrophobicContact CE-CG2 3.63Å; M905-T933 PolarHBondContact N-O 3.3Å; M905-T933 PolarHBondContact O-N 2.96Å
906	I	87.7	Confident	80.4	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.6	170.9	-59	175.8	0	0	0	107.9	I903 D908 E909 I911 V919 L923 V930 L932	I903-I906 HydrophobicContact CG2-CG1 4.08Å; I906-D908 PolarHBondContact O-N 2.76Å; I906-E909 PolarHBondContact N-O 3.25Å; I906-E909 WeakPolarHBondContact O-CB 3.16Å; I906-E909 PolarHBondContact O-N 3.18Å; I906-I911 HydrophobicContact CB-CG2 4.36Å; I906-I911 HydrophobicContact CD1-CD1 4.43Å; I906-I911 HydrophobicContact CD1-CG2 3.98Å; I906-I911 HydrophobicContact CG1-CG2 3.94Å; I906-V919 HydrophobicContact CD1-CG1 3.53Å; I906-L923 HydrophobicContact CD1-CD1 4.41Å; I906-L923 HydrophobicContact CD1-CD2 3.6Å; I906-L923 HydrophobicContact CD1-CG 3.73Å; I906-L923 HydrophobicContact CG1-CD2 4.11Å; I906-L923 HydrophobicContact CG2-CD2 3.94Å; I906-V930 HydrophobicContact CG2-CG1 4.29Å; I906-L932 HydrophobicContact CB-CD2 4.34Å; I906-L932 HydrophobicContact CG1-CD2 3.82Å; I906-L932 HydrophobicContact CG2-CD2 4.2Å
907	A	82	Confident	79.8	Confident	56 Å²	56	59.4 Å²	59.4	46%	0.463	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	42.7	179.5	0	0	0	0	0	113	E909 R931	A907-E909 VanDerWaalsContact C-N 3.25Å; A907-E909 PolarHBondContact O-N 2.99Å; A907-R931 PolarHBondContact N-O 3.08Å
908	D	74.7	Confident	79.3	Confident	106 Å²	106	62.3 Å²	62.3	57%	0.567	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	9.2	-178.8	-49.7	-47.2	0	0	0	115.6	I906 R931	I906-D908 PolarHBondContact O-N 2.76Å; D908-R931 WeakPolarHBondContact OD1-CD 3.25Å; D908-R931 IonicContact OD1-NE 2.64Å
909	E	78.3	Confident	79.1	Confident	104 Å²	104	55.2 Å²	55.2	49%	0.486	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130	170.5	-63.2	-174.5	159.1	0	0	111.9	M905 I906 A907 K922	M905-E909 CarbonylContact C-O 3.58Å; M905-E909 WeakPolarHBondContact CA-O 3.42Å; M905-E909 WeakPolarHBondContact CB-O 3.4Å; I906-E909 PolarHBondContact N-O 3.25Å; I906-E909 WeakPolarHBondContact O-CB 3.16Å; I906-E909 PolarHBondContact O-N 3.18Å; A907-E909 VanDerWaalsContact C-N 3.25Å; A907-E909 PolarHBondContact O-N 2.99Å; E909-K922 IonicContact OE2-NZ 2.84Å; E909-K922 PolarHBondContact OE2-NZ 2.89Å
910	F	77.2	Confident	79	Confident	146 Å²	146	54.8 Å²	54.8	64%	0.64	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.4	173.1	-78.4	-87.4	0	0	0	111.8	M905	M905-F910 HydrophobicContact CE-CE1 4.01Å; M905-F910 HydrophobicContact CE-CZ 3.98Å; M905-F910 HydrophobicContact CG-CD1 3.85Å; M905-F910 HydrophobicContact CG-CD2 4.4Å; M905-F910 HydrophobicContact CG-CE1 3.97Å; M905-F910 HydrophobicContact CG-CE2 4.5Å; M905-F910 HydrophobicContact CG-CG 4.09Å; M905-F910 HydrophobicContact CG-CZ 4.29Å; M905-F910 HydrophobicContact SD-CE1 4.14Å; M905-F910 HydrophobicContact SD-CE2 4.14Å; M905-F910 HydrophobicContact SD-CZ 3.93Å
911	I	77.8	Confident	79	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	33%	0.327	C	S	.	.			trans	-114.4	10.7	-177.2	67.4	163	0	0	0	114.6	I880 I903 C904 I906 D913 L914 V919	I880-I911 HydrophobicContact CB-CD1 4.31Å; I880-I911 HydrophobicContact CD1-CD1 4.35Å; I903-I911 HydrophobicContact CB-CD1 3.77Å; I903-I911 HydrophobicContact CG2-CD1 3.49Å; I903-I911 VanDerWaalsContact CG2-CD1 3.49Å; I903-I911 HydrophobicContact CG2-CG1 4.45Å; I903-I911 WeakPolarHBondContact O-CD1 3.27Å; C904-I911 PolarHBondContact O-N 3.05Å; C904-I911 VanDerWaalsContact O-N 3.16Å; I906-I911 HydrophobicContact CB-CG2 4.36Å; I906-I911 HydrophobicContact CD1-CD1 4.43Å; I906-I911 HydrophobicContact CD1-CG2 3.98Å; I906-I911 HydrophobicContact CG1-CG2 3.94Å; I911-D913 PolarHBondContact O-N 3.37Å; I911-D913 VanDerWaalsContact O-N 3.1Å; I911-L914 HydrophobicContact CB-CD1 4.26Å; I911-L914 HydrophobicContact CG2-CD1 4.15Å; I911-L914 PolarHBondContact O-N 2.71Å; I911-V919 HydrophobicContact CB-CG2 4.13Å; I911-V919 HydrophobicContact CD1-CG1 3.86Å; I911-V919 HydrophobicContact CD1-CG2 4.14Å; I911-V919 HydrophobicContact CG2-CG2 4.44Å
912	S	60.3	Low	78.7	Confident	82 Å²	82	62.6 Å²	62.6	57%	0.573	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.6	-175	52.3	0	0	0	0	113.7
913	D	64.4	Low	78.5	Confident	152 Å²	152	61.1 Å²	61.1	81%	0.813	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-0.2	-169.7	-51.6	-14	0	0	0	112.7	I911	I911-D913 PolarHBondContact O-N 3.37Å; I911-D913 VanDerWaalsContact O-N 3.1Å
914	L	69.4	Low	78.1	Confident	42 Å²	42	68.5 Å²	68.5	22%	0.22	37%	0.367	C	S	.	.	S	Bend	trans	-89.6	151.5	-176	-65.2	175.8	0	0	0	112.2	K873 I911 D918 V919 K922	K873-L914 WeakPolarHBondContact CE-O 3.47Å; K873-L914 PolarHBondContact NZ-O 2.74Å; I911-L914 HydrophobicContact CB-CD1 4.26Å; I911-L914 HydrophobicContact CG2-CD1 4.15Å; I911-L914 PolarHBondContact O-N 2.71Å; L914-D918 HydrophobicContact CB-CB 4.31Å; L914-D918 HydrophobicContact CD2-CB 4.31Å; L914-V919 HydrophobicContact CB-CG2 3.66Å; L914-V919 HydrophobicContact CD1-CG2 4.2Å; L914-K922 HydrophobicContact CD1-CD 3.97Å
915	N	70.4	Confident	77.7	Confident	93 Å²	93	71.7 Å²	71.7	50%	0.497	40%	0.395	S	S	.	.			trans	-79.8	153.2	170.7	-144.9	13.7	0	0	0	109.6	A917 D918 V919	N915-A917 PolarHBondContact O-N 2.8Å; N915-D918 VanDerWaalsContact CB-OD2 3.27Å; N915-D918 WeakPolarHBondContact CB-OD2 3.44Å; N915-D918 PolarHBondContact N-OD2 2.81Å; N915-D918 VanDerWaalsContact N-OD2 3.08Å; N915-D918 PolarHBondContact O-N 3.34Å; N915-V919 PolarHBondContact O-N 2.99Å
916	P	72.6	Confident	77.1	Confident	29 Å²	29	71 Å²	71	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-56.5	-29.1	-179.1	-27.8	38.2	0	0	0	113.5	K873 I880 V920	K873-P916 HydrophobicContact CD-CG 3.81Å; K873-P916 HydrophobicContact CG-CG 3.74Å; I880-P916 HydrophobicContact CD1-CG 4.48Å; I880-P916 HydrophobicContact CG1-CG 4.49Å; P916-V920 VanDerWaalsContact O-CG2 3.23Å; P916-V920 WeakPolarHBondContact O-CG2 3.47Å; P916-V920 PolarHBondContact O-N 2.99Å
917	A	74.4	Confident	76.4	Confident	64 Å²	64	74 Å²	74	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-63.4	-44.5	175.2	0	0	0	0	0	112.3	N915 V919 V920 Q921	N915-A917 PolarHBondContact O-N 2.8Å; A917-V919 VanDerWaalsContact C-N 3.35Å; A917-V920 PolarHBondContact O-N 3.34Å; A917-Q921 PolarHBondContact O-N 3.28Å
918	D	80	Confident	76.3	Confident	68 Å²	68	73 Å²	73	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-67.6	-39.4	-179.8	-49.2	-42	0	0	0	110.7	L914 N915 Q921 K922	L914-D918 HydrophobicContact CB-CB 4.31Å; L914-D918 HydrophobicContact CD2-CB 4.31Å; N915-D918 VanDerWaalsContact CB-OD2 3.27Å; N915-D918 WeakPolarHBondContact CB-OD2 3.44Å; N915-D918 PolarHBondContact N-OD2 2.81Å; N915-D918 VanDerWaalsContact N-OD2 3.08Å; N915-D918 PolarHBondContact O-N 3.34Å; D918-Q921 WeakPolarHBondContact O-CB 3.34Å; D918-Q921 PolarHBondContact O-N 3.33Å; D918-Q921 VanDerWaalsContact O-N 3.15Å; D918-K922 PolarHBondContact O-N 2.95Å
919	V	83.1	Confident	76.7	Confident	0 Å²	0	72 Å²	72	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-64.3	-41.4	175.5	178.8	0	0	0	0	111.3	L871 I880 I906 I911 L914 N915 A917 Q921 K922 L923	L871-V919 HydrophobicContact CD1-CB 4.32Å; L871-V919 HydrophobicContact CD1-CG1 3.59Å; I880-V919 HydrophobicContact CD1-CB 4.01Å; I880-V919 HydrophobicContact CD1-CG1 4.37Å; I880-V919 HydrophobicContact CD1-CG2 3.33Å; I906-V919 HydrophobicContact CD1-CG1 3.53Å; I911-V919 HydrophobicContact CB-CG2 4.13Å; I911-V919 HydrophobicContact CD1-CG1 3.86Å; I911-V919 HydrophobicContact CD1-CG2 4.14Å; I911-V919 HydrophobicContact CG2-CG2 4.44Å; L914-V919 HydrophobicContact CB-CG2 3.66Å; L914-V919 HydrophobicContact CD1-CG2 4.2Å; N915-V919 PolarHBondContact O-N 2.99Å; A917-V919 VanDerWaalsContact C-N 3.35Å; V919-Q921 VanDerWaalsContact C-N 3.3Å; V919-Q921 PolarHBondContact O-N 2.92Å; V919-K922 PolarHBondContact O-N 3.34Å; V919-L923 WeakPolarHBondContact O-CG 3.49Å; V919-L923 PolarHBondContact O-N 2.65Å
920	V	83.8	Confident	77.1	Confident	51 Å²	51	67.1 Å²	67.1	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-38.1	172.6	169.3	0	0	0	0	111.2	L871 P916 A917 K924	L871-V920 HydrophobicContact CD1-CG2 4.1Å; L871-V920 HydrophobicContact CG-CG2 4.49Å; P916-V920 VanDerWaalsContact O-CG2 3.23Å; P916-V920 WeakPolarHBondContact O-CG2 3.47Å; P916-V920 PolarHBondContact O-N 2.99Å; A917-V920 PolarHBondContact O-N 3.34Å; V920-K924 HydrophobicContact CG1-CD 4.24Å; V920-K924 WeakPolarHBondContact O-CB 3.43Å; V920-K924 VanDerWaalsContact O-CG 3.3Å; V920-K924 WeakPolarHBondContact O-CG 3.35Å; V920-K924 PolarHBondContact O-N 3.36Å
921	Q	81.6	Confident	77.6	Confident	136 Å²	136	65.2 Å²	65.2	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-67.5	-41.9	177	-169.2	170.5	-5.3	0	0	112	A917 D918 V919 K924 A925	A917-Q921 PolarHBondContact O-N 3.28Å; D918-Q921 WeakPolarHBondContact O-CB 3.34Å; D918-Q921 PolarHBondContact O-N 3.33Å; D918-Q921 VanDerWaalsContact O-N 3.15Å; V919-Q921 VanDerWaalsContact C-N 3.3Å; V919-Q921 PolarHBondContact O-N 2.92Å; Q921-K924 PolarHBondContact O-N 2.87Å; Q921-A925 WeakPolarHBondContact O-CB 3.49Å; Q921-A925 PolarHBondContact O-N 2.96Å
922	K	83.1	Confident	78.2	Confident	71 Å²	71	65 Å²	65	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-60.6	-46.1	172.8	-75.4	-168.2	177.4	-164.5	0	112.3	E909 L914 D918 V919 K924 A925 A926	E909-K922 IonicContact OE2-NZ 2.84Å; E909-K922 PolarHBondContact OE2-NZ 2.89Å; L914-K922 HydrophobicContact CD1-CD 3.97Å; D918-K922 PolarHBondContact O-N 2.95Å; V919-K922 PolarHBondContact O-N 3.34Å; K922-K924 VanDerWaalsContact C-N 3.26Å; K922-K924 PolarHBondContact O-N 3.2Å; K922-A925 PolarHBondContact O-N 2.8Å; K922-A926 PolarHBondContact O-N 2.94Å
923	L	83.8	Confident	79.6	Confident	15 Å²	15	61.3 Å²	61.3	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-31.4	176	-71.6	177.4	0	0	0	113	K861 L867 L871 I906 V919 V930 L932	K861-L923 PolarHBondContact NZ-O 2.8Å; L867-L923 HydrophobicContact CD1-CB 4.19Å; L867-L923 HydrophobicContact CD1-CD2 3.8Å; L867-L923 HydrophobicContact CD1-CG 4.41Å; L871-L923 HydrophobicContact CD1-CD1 3.84Å; I906-L923 HydrophobicContact CD1-CD1 4.41Å; I906-L923 HydrophobicContact CD1-CD2 3.6Å; I906-L923 HydrophobicContact CD1-CG 3.73Å; I906-L923 HydrophobicContact CG1-CD2 4.11Å; I906-L923 HydrophobicContact CG2-CD2 3.94Å; V919-L923 WeakPolarHBondContact O-CG 3.49Å; V919-L923 PolarHBondContact O-N 2.65Å; L923-V930 HydrophobicContact CD2-CG1 4.27Å; L923-L932 HydrophobicContact CD2-CD2 3.66Å
924	K	80.6	Confident	80.9	Confident	158 Å²	158	54.1 Å²	54.1	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-72.7	-43.7	174	-78.2	177.2	179	-177.6	0	111.8	K861 V920 Q921 K922	K861-K924 PolarHBondContact NZ-O 3.37Å; V920-K924 HydrophobicContact CG1-CD 4.24Å; V920-K924 WeakPolarHBondContact O-CB 3.43Å; V920-K924 VanDerWaalsContact O-CG 3.3Å; V920-K924 WeakPolarHBondContact O-CG 3.35Å; V920-K924 PolarHBondContact O-N 3.36Å; Q921-K924 PolarHBondContact O-N 2.87Å; K922-K924 VanDerWaalsContact C-N 3.26Å; K922-K924 PolarHBondContact O-N 3.2Å
925	A	78.3	Confident	81.8	Confident	83 Å²	83	54.1 Å²	54.1	69%	0.686	32%	0.317	S	S	*	.	H	α-helix	trans	-72	-30.6	-176.2	0	0	0	0	0	114.1	Q921 K922	Q921-A925 WeakPolarHBondContact O-CB 3.49Å; Q921-A925 PolarHBondContact O-N 2.96Å; K922-A925 PolarHBondContact O-N 2.8Å
926	A	76.6	Confident	82.3	Confident	28 Å²	28	52 Å²	52	23%	0.231	30%	0.302	C	S	.	.			trans	-57.7	143	172.8	0	0	0	0	0	110	K861 K922 V930	K861-A926 WeakPolarHBondContact CE-O 3.46Å; K861-A926 PolarHBondContact NZ-O 3.44Å; K922-A926 PolarHBondContact O-N 2.94Å; A926-V930 HydrophobicContact CB-CG1 4.3Å; A926-V930 HydrophobicContact CB-CG2 3.71Å
927	A	71.8	Confident	82.4	Confident	66 Å²	66	57.4 Å²	57.4	55%	0.545	32%	0.323	S	S	.	.			trans	-129.9	149	176.7	0	0	0	0	0	109.7
928	G	79.2	Confident	82.8	Confident	37 Å²	37	57.1 Å²	57.1	38%	0.381	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.4	-123.9	-177.3	0	0	0	0	0	113.2	K861	K861-G928 PolarHBondContact N-O 3.15Å
929	S	83.2	Confident	82.9	Confident	84 Å²	84	56.5 Å²	56.5	59%	0.587	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.6	-176.7	-60.9	0	0	0	0	111.8	L859 N860	L859-S929 WeakPolarHBondContact O-CA 3.46Å; N860-S929 WeakPolarHBondContact OD1-CB 3.3Å; N860-S929 PolarHBondContact OD1-OG 2.73Å
930	V	86.8	Confident	82.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114	178.5	-172.5	0	0	0	0	109.7	V858 L859 K861 L867 I906 L923 A926 L932	V858-V930 WeakPolarHBondContact CA-O 3.3Å; L859-V930 PolarHBondContact N-O 2.73Å; L859-V930 PolarHBondContact O-N 2.68Å; K861-V930 HydrophobicContact CD-CG2 4.19Å; K861-V930 HydrophobicContact CG-CG2 4.47Å; L867-V930 HydrophobicContact CD1-CG1 4.45Å; I906-V930 HydrophobicContact CG2-CG1 4.29Å; L923-V930 HydrophobicContact CD2-CG1 4.27Å; A926-V930 HydrophobicContact CB-CG1 4.3Å; A926-V930 HydrophobicContact CB-CG2 3.71Å; V930-L932 HydrophobicContact CG1-CD2 4.09Å; V930-L932 HydrophobicContact CG1-CG 4.47Å
931	R	89	Confident	82.9	Confident	105 Å²	105	60.2 Å²	60.2	40%	0.396	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.5	173.9	-173.2	-173	-58.8	-132.7	7.1	110.4	V857 V858 A907 D908	V857-R931 CarbonylContact O-C 3.59Å; V858-R931 HydrophobicContact CG2-CB 4.37Å; V858-R931 HydrophobicContact CG2-CG 4.23Å; A907-R931 PolarHBondContact N-O 3.08Å; D908-R931 WeakPolarHBondContact OD1-CD 3.25Å; D908-R931 IonicContact OD1-NE 2.64Å
932	L	90.7	Very high	83	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.2	175.3	-58.5	176.7	0	0	0	109	Q856 V857 L859 L869 L897 M905 I906 L923 V930	Q856-L932 CarbonylContact C-O 3.56Å; Q856-L932 WeakPolarHBondContact CA-O 3.17Å; V857-L932 PolarHBondContact N-O 3.21Å; V857-L932 PolarHBondContact O-N 2.99Å; L859-L932 HydrophobicContact CD1-CD1 4.03Å; L869-L932 HydrophobicContact CD1-CD1 4.23Å; L897-L932 HydrophobicContact CD1-CD1 3.96Å; M905-L932 WeakPolarHBondContact O-CA 3.23Å; I906-L932 HydrophobicContact CB-CD2 4.34Å; I906-L932 HydrophobicContact CG1-CD2 3.82Å; I906-L932 HydrophobicContact CG2-CD2 4.2Å; L923-L932 HydrophobicContact CD2-CD2 3.66Å; V930-L932 HydrophobicContact CG1-CD2 4.09Å; V930-L932 HydrophobicContact CG1-CG 4.47Å
933	T	89.4	Confident	83	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.6	167.4	-51.6	0	0	0	0	108.2	T854 L855 Q856 C904 M905	T854-T933 HydrophobicContact CG2-CG2 3.44Å; T854-T933 VanDerWaalsContact CG2-CG2 3.44Å; L855-T933 WeakPolarHBondContact O-CA 3.48Å; Q856-T933 HydrophobicContact CG-CG2 4.34Å; C904-T933 PolarHBondContact N-O 3.16Å; M905-T933 HydrophobicContact CE-CG2 3.63Å; M905-T933 PolarHBondContact N-O 3.3Å; M905-T933 PolarHBondContact O-N 2.96Å
934	I	91.4	Very high	82.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.8	-178.1	62.4	156.9	0	0	0	111.7	T854 L855 L897 D901 K902 I903	T854-I934 CarbonylContact C-O 3.47Å; T854-I934 VanDerWaalsContact CA-O 3.23Å; T854-I934 WeakPolarHBondContact CA-O 3.41Å; L855-I934 HydrophobicContact CB-CD1 3.99Å; L855-I934 HydrophobicContact CB-CG1 3.68Å; L855-I934 HydrophobicContact CD1-CD1 3.88Å; L855-I934 HydrophobicContact CD1-CG1 4.43Å; L855-I934 HydrophobicContact CG-CD1 4.5Å; L855-I934 PolarHBondContact N-O 3.24Å; L855-I934 WeakPolarHBondContact O-CG1 3.42Å; L855-I934 PolarHBondContact O-N 2.64Å; L897-I934 HydrophobicContact CD2-CD1 4.28Å; L897-I934 HydrophobicContact CD2-CG2 4.06Å; D901-I934 HydrophobicContact CB-CB 4.28Å; D901-I934 HydrophobicContact CB-CD1 3.85Å; D901-I934 HydrophobicContact CB-CG2 4.42Å; D901-I934 VanDerWaalsContact CG-CD1 3.43Å; D901-I934 WeakPolarHBondContact OD2-CD1 3.49Å; K902-I934 CarbonylContact O-C 3.58Å; K902-I934 WeakPolarHBondContact O-CA 3.22Å; K902-I934 WeakPolarHBondContact O-CB 3.45Å; I903-I934 HydrophobicContact CG1-CG2 4.31Å
935	E	87.6	Confident	83.1	Confident	42 Å²	42	49.5 Å²	49.5	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.2	164.7	-84.1	167.9	-157	0	0	108.6	P852 R853 K902 C904 F937	P852-E935 HydrophobicContact CB-CB 3.97Å; P852-E935 HydrophobicContact CB-CG 4.03Å; P852-E935 HydrophobicContact CG-CG 4.23Å; R853-E935 WeakPolarHBondContact O-CA 3.47Å; K902-E935 HydrophobicContact CB-CB 4.11Å; K902-E935 HydrophobicContact CD-CB 4.35Å; K902-E935 WeakPolarHBondContact CD-OE2 3.37Å; K902-E935 WeakPolarHBondContact CE-OE2 3.45Å; K902-E935 PolarHBondContact N-O 3Å; K902-E935 IonicContact NZ-OE2 3.91Å; K902-E935 PolarHBondContact NZ-OE2 2.67Å; K902-E935 PolarHBondContact O-N 3.33Å; C904-E935 WeakPolarHBondContact SG-CG 2.7Å; C904-E935 PolarHBondContact SG-OE1 3.01Å; C904-E935 VanDerWaalsContact SG-OE1 3.32Å; E935-F937 HydrophobicContact CB-CE2 4.29Å; E935-F937 HydrophobicContact CB-CZ 4.46Å
936	R	82.2	Confident	83.5	Confident	50 Å²	50	46.7 Å²	46.7	19%	0.189	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	172.9	-175.7	168.8	-68.6	158.3	4.8	108.4	P852 R853 L855 R896 D901	P852-R936 CarbonylContact C-O 3.54Å; P852-R936 WeakPolarHBondContact CA-O 3.4Å; R853-R936 PolarHBondContact N-O 3.44Å; R853-R936 PolarHBondContact O-N 3.06Å; L855-R936 HydrophobicContact CD1-CB 4.39Å; R896-R936 PolarHBondContact O-NH2 3Å; D901-R936 VanDerWaalsContact CG-NH2 3.34Å; D901-R936 IonicContact OD1-CZ 2.81Å; D901-R936 IonicContact OD1-NE 3.88Å; D901-R936 PolarHBondContact OD1-NE 2.88Å; D901-R936 IonicContact OD1-NH2 3.71Å; D901-R936 PolarHBondContact OD1-NH2 3.24Å; D901-R936 VanDerWaalsContact OD1-NH2 3.14Å; D901-R936 IonicContact OD2-CZ 3.58Å; D901-R936 IonicContact OD2-NE 2.67Å; D901-R936 IonicContact OD2-NH2 2.85Å; D901-R936 PolarHBondContact OD2-NH2 3.42Å
937	F	74	Confident	84.1	Confident	142 Å²	142	48.4 Å²	48.4	62%	0.623	27%	0.269	S	S	*	.			trans	-88.2	0	174.6	-61	-87.8	0	0	0	109.5	P852 F881 K902 E935	P852-F937 HydrophobicContact CB-CD1 3.9Å; P852-F937 HydrophobicContact CB-CE1 3.69Å; P852-F937 HydrophobicContact CB-CG 4.47Å; P852-F937 HydrophobicContact CB-CZ 4.07Å; P852-F937 HydrophobicContact CG-CE1 3.97Å; P852-F937 HydrophobicContact CG-CZ 4.42Å; F881-F937 HydrophobicContact CE1-CD2 4.3Å; F881-F937 AromaticContact CE1-CE2 3.94Å; F881-F937 HydrophobicContact CE1-CE2 3.94Å; F881-F937 HydrophobicContact CZ-CE2 4.4Å; K902-F937 HydrophobicContact CB-CE2 3.89Å; K902-F937 HydrophobicContact CD-CE2 3.92Å; K902-F937 HydrophobicContact CD-CZ 4.04Å; E935-F937 HydrophobicContact CB-CE2 4.29Å; E935-F937 HydrophobicContact CB-CZ 4.46Å

Retrieved 937 of 937 residues in 515.6 ms (Link to these results)

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