A0A077Z0J2_TRITR Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A077Z0J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.5	Very low	50	Low	176 Å²	176	115.3 Å²	115.3	87%	0.867	60%	0.599	S	S	*	*				0	47.4	0	-72	-172.1	169.8	0	0	112.9	A3 L33	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-L33 HydrophobicContact CE-CD1 3.83Å; M1-L33 HydrophobicContact CE-CD2 3.47Å; M1-L33 VanDerWaalsContact CE-CD2 3.47Å; M1-L33 HydrophobicContact CE-CG 4.31Å; M1-L33 HydrophobicContact SD-CD1 4.34Å
2	Y	33.8	Very low	49.9	Very low	246 Å²	246	111.3 Å²	111.3	97%	0.965	59%	0.587	S	S	*	*			trans	-80.8	-11.9	178.1	-84.6	-83.8	0	0	0	113.9
3	A	34.7	Very low	49.4	Very low	66 Å²	66	112.2 Å²	112.2	55%	0.545	60%	0.603	S	S	.	*			trans	-97.1	119	177.8	0	0	0	0	0	110.4	M1 C5	M1-A3 VanDerWaalsContact C-N 3.33Å; A3-C5 VanDerWaalsContact CB-O 3.28Å; A3-C5 WeakPolarHBondContact CB-O 3.31Å; A3-C5 PolarHBondContact O-N 2.79Å
4	R	48.4	Very low	48.7	Very low	223 Å²	223	110.1 Å²	110.1	84%	0.842	60%	0.596	S	S	*	*	S	Bend	trans	-71	-20.2	172.9	-75.7	-173.8	178	171.8	3.9	112.8	V69	R4-V69 PolarHBondContact O-N 2.78Å
5	C	45.7	Very low	48.5	Very low	65 Å²	65	111.1 Å²	111.1	44%	0.439	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	143.7	170.3	61.9	0	0	0	0	109.8	A3 E66 I67	A3-C5 VanDerWaalsContact CB-O 3.28Å; A3-C5 WeakPolarHBondContact CB-O 3.31Å; A3-C5 PolarHBondContact O-N 2.79Å; C5-E66 HydrophobicContact CB-CG 4.44Å; C5-I67 CarbonylContact C-O 3.58Å; C5-I67 WeakPolarHBondContact CA-O 3.13Å
6	A	57	Low	48	Very low	43 Å²	43	114.3 Å²	114.3	36%	0.355	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	140.7	171	0	0	0	0	0	108.9	E66 I67	A6-E66 CarbonylContact O-C 3.49Å; A6-E66 WeakPolarHBondContact O-CA 3.38Å; A6-I67 PolarHBondContact N-O 3.22Å; A6-I67 PolarHBondContact O-N 2.82Å
7	R	56.5	Low	47.4	Very low	169 Å²	169	113.2 Å²	113.2	64%	0.638	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.6	125.8	172.7	-69.4	-177.5	-176.9	160.1	2.5	108.9	V65 E66	R7-V65 CarbonylContact C-O 3.6Å; R7-V65 WeakPolarHBondContact CA-O 3.43Å; R7-E66 HydrophobicContact CG-CB 4.27Å; R7-E66 HydrophobicContact CG-CG 4.19Å; R7-E66 IonicContact CZ-OE2 3.73Å; R7-E66 IonicContact NE-OE2 2.87Å; R7-E66 PolarHBondContact NE-OE2 2.92Å; R7-E66 IonicContact NH2-OE2 3.66Å; R7-E66 PolarHBondContact NH2-OE2 3.01Å
8	V	67	Low	46.6	Very low	67 Å²	67	116.7 Å²	116.7	41%	0.406	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	131.1	-178.6	-173.9	0	0	0	0	108	V65 I67	V8-V65 PolarHBondContact N-O 3.15Å; V8-V65 PolarHBondContact O-N 3.28Å; V8-I67 HydrophobicContact CG2-CD1 3.97Å
9	C	62.3	Low	46.2	Very low	85 Å²	85	116.1 Å²	116.1	57%	0.574	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90	119.6	168.8	-169.1	0	0	0	0	107.7	A11	C9-A11 PolarHBondContact O-N 3.48Å
10	V	61.1	Low	46.1	Very low	47 Å²	47	116.2 Å²	116.2	29%	0.285	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	111.8	-179.6	-176.5	0	0	0	0	108.5	Q62 A63 V65	V10-Q62 VanDerWaalsContact O-CA 3.28Å; V10-Q62 WeakPolarHBondContact O-CA 3.3Å; V10-Q62 PolarHBondContact O-N 3.31Å; V10-A63 PolarHBondContact N-O 3.14Å; V10-V65 HydrophobicContact CG2-CG2 3.93Å
11	A	50	Low	45.9	Very low	81 Å²	81	117.9 Å²	117.9	67%	0.669	64%	0.644	S	S	*	*			trans	-91.6	117.1	165.8	0	0	0	0	0	108	C9 P13 D61	C9-A11 PolarHBondContact O-N 3.48Å; A11-P13 WeakPolarHBondContact O-CD 3.45Å; A11-D61 WeakPolarHBondContact CA-OD1 3.39Å
12	C	48.9	Very low	46.4	Very low	67 Å²	67	112.9 Å²	112.9	45%	0.453	62%	0.62	S	S	.	*			trans	-113.9	99.5	-176.7	-166.8	0	0	0	0	110.2	V14 D61	C12-V14 PolarHBondContact O-N 3.16Å; C12-D61 PolarHBondContact N-OD1 2.84Å
13	P	43.7	Very low	46.6	Very low	123 Å²	123	110.3 Å²	110.3	80%	0.799	62%	0.617	S	S	*	*			trans	-80.9	-8.3	-176.7	-10.2	26.8	0	0	0	115.1	A11	A11-P13 WeakPolarHBondContact O-CD 3.45Å
14	V	39.4	Very low	47.1	Very low	84 Å²	84	110.2 Å²	110.2	51%	0.509	60%	0.603	S	S	.	*	S	Bend	trans	-155.4	138.2	-171.6	-158.3	0	0	0	0	111.7	C12 F16	C12-V14 PolarHBondContact O-N 3.16Å; V14-F16 HydrophobicContact CG1-CD2 4.47Å; V14-F16 PolarHBondContact O-N 2.85Å
15	P	46.1	Very low	46.5	Very low	125 Å²	125	104.6 Å²	104.6	81%	0.812	60%	0.595	S	S	*	*	S	Bend	trans	-83	37.5	-169.2	35.6	-38.1	0	0	0	114.9
16	F	39.6	Very low	45.9	Very low	161 Å²	161	111.3 Å²	111.3	71%	0.706	62%	0.62	S	S	*	*	S	Bend	trans	-107.4	122.7	169.9	-77.9	-81.7	0	0	0	109.6	V14 F18	V14-F16 HydrophobicContact CG1-CD2 4.47Å; V14-F16 PolarHBondContact O-N 2.85Å; F16-F18 WeakPolarHBondContact O-CD2 3.37Å; F16-F18 PolarHBondContact O-N 2.97Å
17	A	38	Very low	45.1	Very low	97 Å²	97	113.2 Å²	113.2	80%	0.802	64%	0.644	S	S	*	*			trans	-55.6	95.9	179.4	0	0	0	0	0	110.8	P19	A17-P19 WeakPolarHBondContact O-CD 3.43Å
18	F	33	Very low	44.4	Very low	176 Å²	176	111.6 Å²	111.6	77%	0.772	64%	0.644	S	S	*	*			trans	-78.2	122.1	167.7	-85.4	-85.6	0	0	0	108.3	F16 I20	F16-F18 WeakPolarHBondContact O-CD2 3.37Å; F16-F18 PolarHBondContact O-N 2.97Å; F18-I20 PolarHBondContact O-N 3.47Å
19	P	39.6	Very low	43	Very low	104 Å²	104	117.6 Å²	117.6	68%	0.675	66%	0.664	S	S	*	*			trans	-60.5	138	167.3	24.5	-30.6	0	0	0	109.1	A17 L21	A17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-L21 PolarHBondContact O-N 3.49Å
20	I	44.1	Very low	42.1	Very low	118 Å²	118	114.4 Å²	114.4	61%	0.605	65%	0.646	S	S	*	*			trans	-62.8	102.4	173.4	-61.2	173	0	0	0	107.7	F18 L22 L39	F18-I20 PolarHBondContact O-N 3.47Å; I20-L22 HydrophobicContact CG2-CG 4.5Å; I20-L22 PolarHBondContact O-N 3.47Å; I20-L39 HydrophobicContact CD1-CD1 3.83Å
21	L	41.4	Very low	41.4	Very low	152 Å²	152	118.9 Å²	118.9	80%	0.796	67%	0.669	S	S	*	*			trans	-80.9	109.6	174	-89.5	154.5	0	0	0	109.6	P19	P19-L21 PolarHBondContact O-N 3.49Å
22	L	44.3	Very low	41.3	Very low	71 Å²	71	117.5 Å²	117.5	37%	0.372	66%	0.657	S	S	.	*			trans	-86.1	106.6	169.3	-68.3	168.1	0	0	0	109	I20 Y24 E34 L37	I20-L22 HydrophobicContact CG2-CG 4.5Å; I20-L22 PolarHBondContact O-N 3.47Å; L22-Y24 HydrophobicContact CB-CE2 3.97Å; L22-Y24 WeakPolarHBondContact O-CD2 3.49Å; L22-Y24 WeakPolarHBondContact O-CE2 3.47Å; L22-E34 HydrophobicContact CD1-CG 4.08Å; L22-L37 HydrophobicContact CD1-CD1 3.59Å; L22-L37 HydrophobicContact CD2-CD1 4.46Å
23	Q	37.9	Very low	41.4	Very low	193 Å²	193	115.5 Å²	115.5	90%	0.902	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-82.1	123.1	168.9	-85.2	-177.5	-22.6	0	0	110.3
24	Y	45.8	Very low	41.7	Very low	63 Å²	63	115.3 Å²	115.3	25%	0.247	63%	0.63	C	S	.	*	P	Polyproline II helix	trans	-97.4	144.3	176.3	-60	-88.4	0	0	0	110.3	L22 G30 L33	L22-Y24 HydrophobicContact CB-CE2 3.97Å; L22-Y24 WeakPolarHBondContact O-CD2 3.49Å; L22-Y24 WeakPolarHBondContact O-CE2 3.47Å; Y24-G30 PolarHBondContact OH-O 3.41Å; Y24-L33 HydrophobicContact CE1-CB 4.05Å; Y24-L33 HydrophobicContact CE1-CD2 4.16Å
25	P	34.9	Very low	42.1	Very low	106 Å²	106	113.4 Å²	113.4	69%	0.688	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.7	137.8	164.1	-15.5	28.4	0	0	0	109.6	G27	P25-G27 PolarHBondContact O-N 2.83Å; P25-G27 VanDerWaalsContact O-N 3.16Å
26	E	32.7	Very low	42.4	Very low	205 Å²	205	111.7 Å²	111.7	96%	0.958	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.7	119.3	-175.5	-67.2	-176.2	161.8	0	0	112.1
27	G	41.2	Very low	43.5	Very low	83 Å²	83	106 Å²	106	86%	0.856	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.1	-11.7	170.8	0	0	0	0	0	117.1	P25	P25-G27 PolarHBondContact O-N 2.83Å; P25-G27 VanDerWaalsContact O-N 3.16Å
28	E	40.5	Very low	44.8	Very low	135 Å²	135	103.3 Å²	103.3	63%	0.631	55%	0.547	S	S	*	.	S	Bend	trans	-97.8	127.4	175.1	-70.7	-165.4	160	0	0	112.3	G30	E28-G30 PolarHBondContact O-N 3.47Å; E28-G30 VanDerWaalsContact O-N 3.09Å
29	K	39.3	Very low	46.7	Very low	193 Å²	193	97.3 Å²	97.3	84%	0.839	52%	0.522	S	S	*	.			trans	-64.3	107.5	175.8	-71.4	-175.8	175.6	-175.4	0	110.3	D31	K29-D31 VanDerWaalsContact C-N 3.33Å; K29-D31 PolarHBondContact O-N 3.18Å
30	G	43.7	Very low	48.4	Very low	19 Å²	19	94.5 Å²	94.5	20%	0.196	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.5	-174	0	0	0	0	0	116.3	Y24 E28 A32 L33	Y24-G30 PolarHBondContact OH-O 3.41Å; E28-G30 PolarHBondContact O-N 3.47Å; E28-G30 VanDerWaalsContact O-N 3.09Å; G30-A32 PolarHBondContact O-N 3.2Å; G30-L33 PolarHBondContact O-N 3.21Å; G30-L33 VanDerWaalsContact O-N 3.14Å
31	D	44.6	Very low	49.9	Very low	141 Å²	141	90.6 Å²	90.6	75%	0.754	48%	0.478	S	S	*	.	H	α-helix	trans	-58.2	-26.6	-173.3	-64.1	-16.4	0	0	0	114.9	K29 L33	K29-D31 VanDerWaalsContact C-N 3.33Å; K29-D31 PolarHBondContact O-N 3.18Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.21Å
32	A	48.5	Very low	51.4	Low	52 Å²	52	85.3 Å²	85.3	43%	0.43	45%	0.449	S	S	.	.	H	α-helix	trans	-76.3	-21.6	-176.2	0	0	0	0	0	113.3	G30 S35 R36	G30-A32 PolarHBondContact O-N 3.2Å; A32-S35 PolarHBondContact O-OG 2.81Å; A32-R36 VanDerWaalsContact O-CD 3.22Å; A32-R36 WeakPolarHBondContact O-CD 3.45Å; A32-R36 WeakPolarHBondContact O-CG 3.28Å
33	L	50.6	Low	52.7	Low	25 Å²	25	83.9 Å²	83.9	13%	0.131	44%	0.442	C	S	.	.	H	α-helix	trans	-91.9	-38.9	-173.4	-148.5	99	0	0	0	112.6	M1 Y24 G30 D31 S35 R36 L37	M1-L33 HydrophobicContact CE-CD1 3.83Å; M1-L33 HydrophobicContact CE-CD2 3.47Å; M1-L33 VanDerWaalsContact CE-CD2 3.47Å; M1-L33 HydrophobicContact CE-CG 4.31Å; M1-L33 HydrophobicContact SD-CD1 4.34Å; Y24-L33 HydrophobicContact CE1-CB 4.05Å; Y24-L33 HydrophobicContact CE1-CD2 4.16Å; G30-L33 PolarHBondContact O-N 3.21Å; G30-L33 VanDerWaalsContact O-N 3.14Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.21Å; L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 2.94Å; L33-R36 WeakPolarHBondContact O-CA 3.45Å; L33-R36 WeakPolarHBondContact O-CB 3.44Å; L33-R36 PolarHBondContact O-N 3.12Å; L33-L37 HydrophobicContact CD2-CD1 3.99Å; L33-L37 HydrophobicContact CD2-CG 4.36Å; L33-L37 WeakPolarHBondContact O-CG 3.1Å; L33-L37 PolarHBondContact O-N 2.76Å
34	E	50.6	Low	54.5	Low	118 Å²	118	81.6 Å²	81.6	55%	0.551	44%	0.436	S	S	*	.	H	α-helix	trans	-55.2	-44.6	177.8	-72.5	-173.9	169	0	0	111.4	L22 R36 L37	L22-E34 HydrophobicContact CD1-CG 4.08Å; E34-R36 PolarHBondContact O-N 3.18Å; E34-L37 PolarHBondContact O-N 3.39Å
35	S	47.5	Very low	55.8	Low	45 Å²	45	86.3 Å²	86.3	32%	0.315	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.4	177.2	64.7	0	0	0	0	115.3	A32 L33	A32-S35 PolarHBondContact O-OG 2.81Å; L33-S35 VanDerWaalsContact C-N 3.27Å; L33-S35 PolarHBondContact O-N 2.94Å
36	R	53.5	Low	57.5	Low	88 Å²	88	83 Å²	83	33%	0.332	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-15.3	179.9	-66.1	176	64.8	-167.5	-4.1	112.8	A32 L33 E34 V69 S70	A32-R36 VanDerWaalsContact O-CD 3.22Å; A32-R36 WeakPolarHBondContact O-CD 3.45Å; A32-R36 WeakPolarHBondContact O-CG 3.28Å; L33-R36 WeakPolarHBondContact O-CA 3.45Å; L33-R36 WeakPolarHBondContact O-CB 3.44Å; L33-R36 PolarHBondContact O-N 3.12Å; E34-R36 PolarHBondContact O-N 3.18Å; R36-V69 HydrophobicContact CB-CG1 4.39Å; R36-V69 CarbonylContact O-C 3.55Å; R36-S70 WeakPolarHBondContact CB-O 3.21Å; R36-S70 PolarHBondContact NE-O 3.47Å; R36-S70 PolarHBondContact NH2-O 3.1Å; R36-S70 WeakPolarHBondContact O-CB 3.43Å; R36-S70 PolarHBondContact O-N 2.78Å
37	L	63	Low	58.6	Low	41 Å²	41	81.8 Å²	81.8	22%	0.215	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.9	-177.9	-69.6	168.5	0	0	0	110.1	L22 L33 E34 I67 V69	L22-L37 HydrophobicContact CD1-CD1 3.59Å; L22-L37 HydrophobicContact CD2-CD1 4.46Å; L33-L37 HydrophobicContact CD2-CD1 3.99Å; L33-L37 HydrophobicContact CD2-CG 4.36Å; L33-L37 WeakPolarHBondContact O-CG 3.1Å; L33-L37 PolarHBondContact O-N 2.76Å; E34-L37 PolarHBondContact O-N 3.39Å; L37-I67 HydrophobicContact CD2-CG2 3.66Å; L37-V69 HydrophobicContact CD2-CG2 3.79Å
38	L	65.2	Low	59.5	Low	42 Å²	42	83.5 Å²	83.5	22%	0.22	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.5	171	-59.1	174.2	0	0	0	108.2	F40 L52 I67 V68	L38-F40 HydrophobicContact CB-CD2 4.27Å; L38-F40 HydrophobicContact CB-CE2 3.53Å; L38-F40 HydrophobicContact CB-CZ 4.16Å; L38-F40 HydrophobicContact CD1-CE2 4.22Å; L38-F40 HydrophobicContact CD1-CZ 4.29Å; L38-L52 HydrophobicContact CB-CD1 4.27Å; L38-L52 HydrophobicContact CD2-CD1 4.28Å; L38-I67 CarbonylContact O-C 3.56Å; L38-I67 WeakPolarHBondContact O-CA 3.44Å; L38-V68 HydrophobicContact CB-CB 4.29Å; L38-V68 PolarHBondContact N-O 3.39Å; L38-V68 PolarHBondContact O-N 3.31Å
39	L	71.7	Confident	60.8	Low	49 Å²	49	81.2 Å²	81.2	26%	0.257	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	179.2	-60.5	173.1	0	0	0	108.6	I20 L53 V65 I67	I20-L39 HydrophobicContact CD1-CD1 3.83Å; L39-L53 HydrophobicContact CB-CB 4.05Å; L39-L53 HydrophobicContact CB-CD1 3.99Å; L39-L53 PolarHBondContact O-N 3.46Å; L39-V65 HydrophobicContact CB-CG1 4.19Å; L39-V65 HydrophobicContact CD2-CG1 4.25Å; L39-I67 HydrophobicContact CD2-CB 4.13Å; L39-I67 HydrophobicContact CD2-CD1 4.16Å; L39-I67 HydrophobicContact CD2-CG1 3.63Å; L39-I67 HydrophobicContact CD2-CG2 3.92Å
40	F	76.1	Confident	61.9	Low	46 Å²	46	76 Å²	76	20%	0.202	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.5	178.4	-66.2	-89.9	0	0	0	110.7	L38 L50 Q51 L52 V65 E66 V68	L38-F40 HydrophobicContact CB-CD2 4.27Å; L38-F40 HydrophobicContact CB-CE2 3.53Å; L38-F40 HydrophobicContact CB-CZ 4.16Å; L38-F40 HydrophobicContact CD1-CE2 4.22Å; L38-F40 HydrophobicContact CD1-CZ 4.29Å; F40-L50 HydrophobicContact CB-CB 4.36Å; F40-L50 HydrophobicContact CB-CD2 3.85Å; F40-L50 HydrophobicContact CD1-CB 4.16Å; F40-Q51 CarbonylContact C-O 3.4Å; F40-Q51 WeakPolarHBondContact CA-O 3.46Å; F40-L52 HydrophobicContact CD1-CB 4.25Å; F40-L52 HydrophobicContact CD1-CD1 4.32Å; F40-L52 HydrophobicContact CE1-CB 4.06Å; F40-L52 HydrophobicContact CE1-CD1 3.89Å; F40-L52 HydrophobicContact CE2-CD1 4.37Å; F40-L52 HydrophobicContact CZ-CD1 3.92Å; F40-V65 CarbonylContact O-C 3.49Å; F40-V65 VanDerWaalsContact O-CA 3.3Å; F40-V65 WeakPolarHBondContact O-CA 3.42Å; F40-E66 HydrophobicContact CB-CB 4.42Å; F40-E66 PolarHBondContact N-O 3.24Å; F40-E66 PolarHBondContact O-N 2.83Å; F40-V68 HydrophobicContact CD2-CB 4.45Å; F40-V68 HydrophobicContact CD2-CG2 3.89Å; F40-V68 HydrophobicContact CE2-CB 4.14Å; F40-V68 HydrophobicContact CE2-CG2 3.92Å
41	K	76.1	Confident	62.9	Low	36 Å²	36	78.4 Å²	78.4	16%	0.157	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.4	168.4	-178.6	-179.3	177.5	-178	0	109.3	Q51 L53 D58	K41-Q51 PolarHBondContact N-O 3.02Å; K41-Q51 PolarHBondContact O-N 2.84Å; K41-L53 HydrophobicContact CB-CD1 4.02Å; K41-L53 HydrophobicContact CB-CD2 4.07Å; K41-L53 HydrophobicContact CB-CG 3.87Å; K41-D58 PolarHBondContact NZ-O 2.89Å
42	H	72.4	Confident	64.1	Low	40 Å²	40	75.7 Å²	75.7	19%	0.185	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.2	167.3	-76.1	-114.9	0	0	0	109.2	I49 L50 M64 E66	H42-I49 CarbonylContact C-O 3.52Å; H42-I49 VanDerWaalsContact CA-O 3.28Å; H42-I49 WeakPolarHBondContact CA-O 3.45Å; H42-L50 VanDerWaalsContact NE2-CD2 3.3Å; H42-L50 WeakPolarHBondContact NE2-CD2 3.48Å; H42-M64 HydrophobicContact CB-CB 4.17Å; H42-M64 PolarHBondContact N-O 3.14Å; H42-E66 IonicContact CE1-OE2 3.57Å; H42-E66 PolarHBondContact CE1-OE2 3.31Å; H42-E66 WeakPolarHBondContact NE2-CB 3.3Å; H42-E66 IonicContact NE2-OE2 3.51Å; H42-E66 PolarHBondContact NE2-OE2 3.2Å
43	D	71.4	Confident	64.8	Low	41 Å²	41	74.6 Å²	74.6	22%	0.219	38%	0.383	C	S	.	.			trans	-123.6	96.6	173.1	-179.9	4.9	0	0	0	109.4	N45 S46 I49 Q51	D43-N45 PolarHBondContact O-N 3.43Å; D43-N45 VanDerWaalsContact O-N 3.16Å; D43-N45 WeakPolarHBondContact OD1-CB 3.37Å; D43-N45 PolarHBondContact OD1-N 2.99Å; D43-S46 PolarHBondContact O-N 3.02Å; D43-S46 VanDerWaalsContact O-N 3.12Å; D43-S46 WeakPolarHBondContact OD2-CB 3.39Å; D43-I49 PolarHBondContact N-O 3.21Å; D43-I49 WeakPolarHBondContact O-CA 3.43Å; D43-Q51 PolarHBondContact OD2-NE2 3.34Å
44	L	75.5	Confident	65.6	Low	146 Å²	146	79.4 Å²	79.4	76%	0.764	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13.8	-178.9	-65	171.7	0	0	0	113.2	I49	L44-I49 HydrophobicContact CD2-CG2 4.04Å
45	N	73	Confident	66	Low	161 Å²	161	77.5 Å²	77.5	86%	0.861	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.1	178	-61.2	-37.5	0	0	0	112.5	D43	D43-N45 PolarHBondContact O-N 3.43Å; D43-N45 VanDerWaalsContact O-N 3.16Å; D43-N45 WeakPolarHBondContact OD1-CB 3.37Å; D43-N45 PolarHBondContact OD1-N 2.99Å
46	S	71.1	Confident	66.8	Low	36 Å²	36	79.9 Å²	79.9	25%	0.252	42%	0.421	S	S	.	.	S	Bend	trans	-92.2	145	176.4	-171.7	0	0	0	0	111.6	D43 N48 Q51	D43-S46 PolarHBondContact O-N 3.02Å; D43-S46 VanDerWaalsContact O-N 3.12Å; D43-S46 WeakPolarHBondContact OD2-CB 3.39Å; S46-N48 PolarHBondContact O-N 3.03Å; S46-N48 PolarHBondContact OG-N 3.02Å; S46-N48 PolarHBondContact OG-O 3.47Å; S46-Q51 PolarHBondContact OG-NE2 2.91Å; S46-Q51 VanDerWaalsContact OG-NE2 3.14Å
47	L	55.5	Low	67.3	Low	180 Å²	180	81 Å²	81	94%	0.942	44%	0.441	S	S	*	.	S	Bend	trans	-57.5	-27.9	168.6	-71.2	169.4	0	0	0	111.8
48	N	60.3	Low	67.5	Low	120 Å²	120	83.1 Å²	83.1	64%	0.642	45%	0.452	S	S	*	.	S	Bend	trans	-105.4	89.3	171.8	-69	-32.6	0	0	0	109	S46 L50	S46-N48 PolarHBondContact O-N 3.03Å; S46-N48 PolarHBondContact OG-N 3.02Å; S46-N48 PolarHBondContact OG-O 3.47Å; N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.1Å
49	I	67.9	Low	67.7	Low	87 Å²	87	83.8 Å²	83.8	45%	0.446	46%	0.456	S	S	.	.	S	Bend	trans	-55.2	-32.7	-175.3	-60.2	170.8	0	0	0	112.1	H42 D43 L44	H42-I49 CarbonylContact C-O 3.52Å; H42-I49 VanDerWaalsContact CA-O 3.28Å; H42-I49 WeakPolarHBondContact CA-O 3.45Å; D43-I49 PolarHBondContact N-O 3.21Å; D43-I49 WeakPolarHBondContact O-CA 3.43Å; L44-I49 HydrophobicContact CD2-CG2 4.04Å
50	L	60.8	Low	67.5	Low	83 Å²	83	85.4 Å²	85.4	44%	0.435	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109	173.7	-70.7	167.5	0	0	0	109.9	F40 H42 N48 E66	F40-L50 HydrophobicContact CB-CB 4.36Å; F40-L50 HydrophobicContact CB-CD2 3.85Å; F40-L50 HydrophobicContact CD1-CB 4.16Å; H42-L50 VanDerWaalsContact NE2-CD2 3.3Å; H42-L50 WeakPolarHBondContact NE2-CD2 3.48Å; N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.1Å; L50-E66 HydrophobicContact CD2-CB 4.42Å
51	Q	65.3	Low	67.1	Low	69 Å²	69	87.4 Å²	87.4	32%	0.322	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.2	174.5	-65	-179.3	4.4	0	0	109.6	F40 K41 D43 S46 L53	F40-Q51 CarbonylContact C-O 3.4Å; F40-Q51 WeakPolarHBondContact CA-O 3.46Å; K41-Q51 PolarHBondContact N-O 3.02Å; K41-Q51 PolarHBondContact O-N 2.84Å; D43-Q51 PolarHBondContact OD2-NE2 3.34Å; S46-Q51 PolarHBondContact OG-NE2 2.91Å; S46-Q51 VanDerWaalsContact OG-NE2 3.14Å; Q51-L53 PolarHBondContact O-N 3.29Å
52	L	70.4	Confident	66.7	Low	84 Å²	84	92.8 Å²	92.8	44%	0.44	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	121.5	173.6	-176.6	71.7	0	0	0	108.8	L38 F40 V54	L38-L52 HydrophobicContact CB-CD1 4.27Å; L38-L52 HydrophobicContact CD2-CD1 4.28Å; F40-L52 HydrophobicContact CD1-CB 4.25Å; F40-L52 HydrophobicContact CD1-CD1 4.32Å; F40-L52 HydrophobicContact CE1-CB 4.06Å; F40-L52 HydrophobicContact CE1-CD1 3.89Å; F40-L52 HydrophobicContact CE2-CD1 4.37Å; F40-L52 HydrophobicContact CZ-CD1 3.92Å; L52-V54 HydrophobicContact CD2-CG2 4.42Å; L52-V54 HydrophobicContact CG-CG2 4.46Å; L52-V54 PolarHBondContact O-N 3.35Å
53	L	63.4	Low	66.7	Low	29 Å²	29	91.2 Å²	91.2	15%	0.152	50%	0.5	C	S	.	.			trans	-72.9	113.6	173.7	-79.4	156.6	0	0	0	108.9	L39 K41 Q51 D58 L59 V65	L39-L53 HydrophobicContact CB-CB 4.05Å; L39-L53 HydrophobicContact CB-CD1 3.99Å; L39-L53 PolarHBondContact O-N 3.46Å; K41-L53 HydrophobicContact CB-CD1 4.02Å; K41-L53 HydrophobicContact CB-CD2 4.07Å; K41-L53 HydrophobicContact CB-CG 3.87Å; Q51-L53 PolarHBondContact O-N 3.29Å; L53-D58 HydrophobicContact CD2-CB 3.92Å; L53-L59 HydrophobicContact CD1-CD2 3.72Å; L53-L59 HydrophobicContact CD1-CG 4.34Å; L53-L59 HydrophobicContact CD2-CD2 3.85Å; L53-L59 HydrophobicContact CD2-CG 3.8Å; L53-L59 HydrophobicContact CG-CD2 4.45Å; L53-V65 HydrophobicContact CD1-CB 4.46Å; L53-V65 HydrophobicContact CD1-CG1 3.72Å; L53-V65 HydrophobicContact CD1-CG2 3.9Å
54	V	66.5	Low	66.8	Low	126 Å²	126	93.6 Å²	93.6	76%	0.764	51%	0.511	S	S	*	.			trans	-105	-33	175.6	-172.1	0	0	0	0	110.5	L52	L52-V54 HydrophobicContact CD2-CG2 4.42Å; L52-V54 HydrophobicContact CG-CG2 4.46Å; L52-V54 PolarHBondContact O-N 3.35Å
55	D	60.4	Low	66.9	Low	78 Å²	78	87 Å²	87	42%	0.417	48%	0.477	S	S	.	.			trans	-119.3	131.5	179.2	-163.8	-41.4	0	0	0	110.5	C57 D58	D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-CB 3.31Å; D55-C57 WeakPolarHBondContact OD1-CB 3.19Å; D55-C57 PolarHBondContact OD1-N 3.45Å; D55-C57 PolarHBondContact OD1-SG 3.17Å; D55-D58 PolarHBondContact O-N 3.32Å
56	P	62.5	Low	66.9	Low	96 Å²	96	80.5 Å²	80.5	62%	0.623	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-56	-27.1	171.6	-23	31.8	0	0	0	114.2	D58 L59	P56-D58 PolarHBondContact O-N 3.04Å; P56-L59 WeakPolarHBondContact O-CB 3.37Å; P56-L59 PolarHBondContact O-N 3.24Å
57	C	65.8	Low	67	Low	110 Å²	110	81.1 Å²	81.1	74%	0.743	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-66	-16.4	179.9	-57.3	0	0	0	0	113.4	D55 L59	D55-C57 PolarHBondContact O-N 2.89Å; D55-C57 VanDerWaalsContact OD1-CB 3.31Å; D55-C57 WeakPolarHBondContact OD1-CB 3.19Å; D55-C57 PolarHBondContact OD1-N 3.45Å; D55-C57 PolarHBondContact OD1-SG 3.17Å; C57-L59 PolarHBondContact O-N 3.17Å
58	D	66.3	Low	67.3	Low	86 Å²	86	74.6 Å²	74.6	46%	0.46	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-76.9	-8.6	176.8	-67.3	-32.9	0	0	0	112.9	K41 L53 D55 P56	K41-D58 PolarHBondContact NZ-O 2.89Å; L53-D58 HydrophobicContact CD2-CB 3.92Å; D55-D58 PolarHBondContact O-N 3.32Å; P56-D58 PolarHBondContact O-N 3.04Å
59	L	69.8	Low	67.4	Low	57 Å²	57	71.1 Å²	71.1	30%	0.298	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-84.2	120.2	179.1	-71.9	165.7	0	0	0	111.4	L53 P56 C57 A63 V65	L53-L59 HydrophobicContact CD1-CD2 3.72Å; L53-L59 HydrophobicContact CD1-CG 4.34Å; L53-L59 HydrophobicContact CD2-CD2 3.85Å; L53-L59 HydrophobicContact CD2-CG 3.8Å; L53-L59 HydrophobicContact CG-CD2 4.45Å; P56-L59 WeakPolarHBondContact O-CB 3.37Å; P56-L59 PolarHBondContact O-N 3.24Å; C57-L59 PolarHBondContact O-N 3.17Å; L59-A63 HydrophobicContact CD2-CB 4.21Å; L59-V65 HydrophobicContact CD2-CG2 3.44Å; L59-V65 VanDerWaalsContact CD2-CG2 3.44Å
60	T	67.8	Low	66.6	Low	83 Å²	83	68.2 Å²	68.2	51%	0.509	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-96.5	158.9	171	54	0	0	0	0	110.4	Q62 A63	T60-Q62 PolarHBondContact O-N 2.86Å; T60-A63 WeakPolarHBondContact O-CB 3.28Å; T60-A63 PolarHBondContact O-N 3.49Å
61	D	67.8	Low	65.9	Low	88 Å²	88	69 Å²	69	47%	0.471	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	140.4	169.1	-172.5	41.8	0	0	0	110.3	A11 C12 A63	A11-D61 WeakPolarHBondContact CA-OD1 3.39Å; C12-D61 PolarHBondContact N-OD1 2.84Å; D61-A63 PolarHBondContact O-N 3.09Å
62	Q	66.6	Low	64.8	Low	148 Å²	148	70.5 Å²	70.5	69%	0.692	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	14.9	-172.4	-51.3	-174.5	-4.3	0	0	115.7	V10 T60 M64	V10-Q62 VanDerWaalsContact O-CA 3.28Å; V10-Q62 WeakPolarHBondContact O-CA 3.3Å; V10-Q62 PolarHBondContact O-N 3.31Å; T60-Q62 PolarHBondContact O-N 2.86Å; Q62-M64 PolarHBondContact O-N 3.03Å
63	A	71.8	Confident	63.2	Low	7 Å²	7	71.9 Å²	71.9	6%	0.058	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.9	173.2	0	0	0	0	0	110.7	V10 L59 T60 D61	V10-A63 PolarHBondContact N-O 3.14Å; L59-A63 HydrophobicContact CD2-CB 4.21Å; T60-A63 WeakPolarHBondContact O-CB 3.28Å; T60-A63 PolarHBondContact O-N 3.49Å; D61-A63 PolarHBondContact O-N 3.09Å
64	M	74.1	Confident	62.1	Low	91 Å²	91	77.4 Å²	77.4	45%	0.448	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.6	173.6	-172.7	-179.2	-54.1	0	0	109.3	H42 Q62	H42-M64 HydrophobicContact CB-CB 4.17Å; H42-M64 PolarHBondContact N-O 3.14Å; Q62-M64 PolarHBondContact O-N 3.03Å
65	V	77	Confident	60.5	Low	8 Å²	8	79 Å²	79	5%	0.048	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.6	-178.9	-177.3	0	0	0	0	109.9	R7 V8 V10 L39 F40 L53 L59	R7-V65 CarbonylContact C-O 3.6Å; R7-V65 WeakPolarHBondContact CA-O 3.43Å; V8-V65 PolarHBondContact N-O 3.15Å; V8-V65 PolarHBondContact O-N 3.28Å; V10-V65 HydrophobicContact CG2-CG2 3.93Å; L39-V65 HydrophobicContact CB-CG1 4.19Å; L39-V65 HydrophobicContact CD2-CG1 4.25Å; F40-V65 CarbonylContact O-C 3.49Å; F40-V65 VanDerWaalsContact O-CA 3.3Å; F40-V65 WeakPolarHBondContact O-CA 3.42Å; L53-V65 HydrophobicContact CD1-CB 4.46Å; L53-V65 HydrophobicContact CD1-CG1 3.72Å; L53-V65 HydrophobicContact CD1-CG2 3.9Å; L59-V65 HydrophobicContact CD2-CG2 3.44Å; L59-V65 VanDerWaalsContact CD2-CG2 3.44Å
66	E	74.4	Confident	59.2	Low	25 Å²	25	81.1 Å²	81.1	12%	0.117	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.3	172.8	-173.6	162.8	160.9	0	0	110.5	C5 A6 R7 F40 H42 L50 V68	C5-E66 HydrophobicContact CB-CG 4.44Å; A6-E66 CarbonylContact O-C 3.49Å; A6-E66 WeakPolarHBondContact O-CA 3.38Å; R7-E66 HydrophobicContact CG-CB 4.27Å; R7-E66 HydrophobicContact CG-CG 4.19Å; R7-E66 IonicContact CZ-OE2 3.73Å; R7-E66 IonicContact NE-OE2 2.87Å; R7-E66 PolarHBondContact NE-OE2 2.92Å; R7-E66 IonicContact NH2-OE2 3.66Å; R7-E66 PolarHBondContact NH2-OE2 3.01Å; F40-E66 HydrophobicContact CB-CB 4.42Å; F40-E66 PolarHBondContact N-O 3.24Å; F40-E66 PolarHBondContact O-N 2.83Å; H42-E66 IonicContact CE1-OE2 3.57Å; H42-E66 PolarHBondContact CE1-OE2 3.31Å; H42-E66 WeakPolarHBondContact NE2-CB 3.3Å; H42-E66 IonicContact NE2-OE2 3.51Å; H42-E66 PolarHBondContact NE2-OE2 3.2Å; L50-E66 HydrophobicContact CD2-CB 4.42Å; E66-V68 HydrophobicContact CG-CG2 4.3Å
67	I	73	Confident	58	Low	48 Å²	48	85 Å²	85	25%	0.246	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.2	-178.5	-48.9	-176.9	0	0	0	108.3	C5 A6 V8 L37 L38 L39	C5-I67 CarbonylContact C-O 3.58Å; C5-I67 WeakPolarHBondContact CA-O 3.13Å; A6-I67 PolarHBondContact N-O 3.22Å; A6-I67 PolarHBondContact O-N 2.82Å; V8-I67 HydrophobicContact CG2-CD1 3.97Å; L37-I67 HydrophobicContact CD2-CG2 3.66Å; L38-I67 CarbonylContact O-C 3.56Å; L38-I67 WeakPolarHBondContact O-CA 3.44Å; L39-I67 HydrophobicContact CD2-CB 4.13Å; L39-I67 HydrophobicContact CD2-CD1 4.16Å; L39-I67 HydrophobicContact CD2-CG1 3.63Å; L39-I67 HydrophobicContact CD2-CG2 3.92Å
68	V	61.2	Low	56.8	Low	44 Å²	44	85.9 Å²	85.9	27%	0.267	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.5	-178.5	179.6	0	0	0	0	110.1	L38 F40 E66 S70	L38-V68 HydrophobicContact CB-CB 4.29Å; L38-V68 PolarHBondContact N-O 3.39Å; L38-V68 PolarHBondContact O-N 3.31Å; F40-V68 HydrophobicContact CD2-CB 4.45Å; F40-V68 HydrophobicContact CD2-CG2 3.89Å; F40-V68 HydrophobicContact CE2-CB 4.14Å; F40-V68 HydrophobicContact CE2-CG2 3.92Å; E66-V68 HydrophobicContact CG-CG2 4.3Å; V68-S70 PolarHBondContact O-N 2.89Å
69	V	62.3	Low	55.9	Low	46 Å²	46	86.6 Å²	86.6	28%	0.279	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	104.7	176.3	-172.9	0	0	0	0	110.1	R4 R36 L37	R4-V69 PolarHBondContact O-N 2.78Å; R36-V69 HydrophobicContact CB-CG1 4.39Å; R36-V69 CarbonylContact O-C 3.55Å; L37-V69 HydrophobicContact CD2-CG2 3.79Å
70	S	52	Low	54.9	Low	26 Å²	26	85.1 Å²	85.1	18%	0.182	43%	0.43	C	S	.	.			trans	-65.6	136.6	172.3	176.8	0	0	0	0	111.3	R36 V68 I72	R36-S70 WeakPolarHBondContact CB-O 3.21Å; R36-S70 PolarHBondContact NE-O 3.47Å; R36-S70 PolarHBondContact NH2-O 3.1Å; R36-S70 WeakPolarHBondContact O-CB 3.43Å; R36-S70 PolarHBondContact O-N 2.78Å; V68-S70 PolarHBondContact O-N 2.89Å; S70-I72 PolarHBondContact O-N 3.28Å; S70-I72 PolarHBondContact OG-N 3.18Å; S70-I72 VanDerWaalsContact OG-N 3.13Å; S70-I72 PolarHBondContact OG-O 3.16Å
71	P	45.3	Very low	54.8	Low	100 Å²	100	83.2 Å²	83.2	65%	0.649	41%	0.414	S	S	*	.	S	Bend	trans	-75.8	-3.7	171.9	27.5	-28.8	0	0	0	113.6
72	I	42.5	Very low	54.7	Low	100 Å²	100	82 Å²	82	51%	0.513	41%	0.411	S	S	.	.	S	Bend	trans	-129.1	124.7	-169.2	-55.7	168.9	0	0	0	109.4	S70 Q76	S70-I72 PolarHBondContact O-N 3.28Å; S70-I72 PolarHBondContact OG-N 3.18Å; S70-I72 VanDerWaalsContact OG-N 3.13Å; S70-I72 PolarHBondContact OG-O 3.16Å; I72-Q76 HydrophobicContact CG2-CB 4.49Å
73	Q	37.1	Very low	55	Low	113 Å²	113	75.9 Å²	75.9	53%	0.528	38%	0.382	S	S	.	.			trans	-57.6	132.8	171.8	-83.7	176.9	-33.8	0	0	110.6	N75 Q76	Q73-N75 PolarHBondContact O-N 2.76Å; Q73-Q76 PolarHBondContact O-N 2.82Å
74	H	39.5	Very low	55.4	Low	146 Å²	146	80.3 Å²	80.3	68%	0.676	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-14.9	-174	-133.6	-83.2	0	0	0	115.5
75	N	33.6	Very low	55.9	Low	158 Å²	158	76.4 Å²	76.4	85%	0.845	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.6	-178.2	-91.6	-15.2	0	0	0	116.4	Q73 R77	Q73-N75 PolarHBondContact O-N 2.76Å; N75-R77 PolarHBondContact O-N 2.82Å; N75-R77 VanDerWaalsContact O-N 3.17Å
76	Q	33.4	Very low	56.3	Low	124 Å²	124	79.7 Å²	79.7	58%	0.579	40%	0.399	S	S	*	.	S	Bend	trans	-86.2	94.1	170.5	-71.7	-163.6	-3.6	0	0	111.1	I72 Q73 I78	I72-Q76 HydrophobicContact CG2-CB 4.49Å; Q73-Q76 PolarHBondContact O-N 2.82Å; Q76-I78 PolarHBondContact O-N 2.86Å
77	R	36.7	Very low	56.9	Low	178 Å²	178	80 Å²	80	67%	0.672	40%	0.402	S	S	*	.			trans	-17.2	122.9	156.5	-64.9	175.5	178.2	171.6	-1.2	111.4	N75 F79	N75-R77 PolarHBondContact O-N 2.82Å; N75-R77 VanDerWaalsContact O-N 3.17Å; R77-F79 HydrophobicContact CB-CE2 4.21Å; R77-F79 HydrophobicContact CB-CZ 4.43Å; R77-F79 WeakPolarHBondContact O-CD2 3.47Å; R77-F79 WeakPolarHBondContact O-CE2 3.3Å; R77-F79 PolarHBondContact O-N 3.12Å
78	I	40.1	Very low	57.3	Low	128 Å²	128	80.4 Å²	80.4	66%	0.656	40%	0.403	S	S	*	.			trans	-60.3	98.9	175.5	-59.1	172.4	0	0	0	108.1	Q76 V80	Q76-I78 PolarHBondContact O-N 2.86Å; I78-V80 HydrophobicContact CG2-CG2 4.06Å; I78-V80 PolarHBondContact O-N 3.16Å; I78-V80 VanDerWaalsContact O-N 3.08Å
79	F	47.9	Very low	58.2	Low	101 Å²	101	80.9 Å²	80.9	44%	0.443	41%	0.409	S	S	.	.			trans	-76.3	97	174.7	-72	-83.4	0	0	0	108.6	R77 Y81	R77-F79 HydrophobicContact CB-CE2 4.21Å; R77-F79 HydrophobicContact CB-CZ 4.43Å; R77-F79 WeakPolarHBondContact O-CD2 3.47Å; R77-F79 WeakPolarHBondContact O-CE2 3.3Å; R77-F79 PolarHBondContact O-N 3.12Å; F79-Y81 HydrophobicContact CB-CE2 3.8Å
80	V	49.8	Very low	58.8	Low	25 Å²	25	79.8 Å²	79.8	15%	0.152	40%	0.4	C	S	.	.			trans	-78.9	116.8	167	-177	0	0	0	0	107.4	I78 P82 N130	I78-V80 HydrophobicContact CG2-CG2 4.06Å; I78-V80 PolarHBondContact O-N 3.16Å; I78-V80 VanDerWaalsContact O-N 3.08Å; V80-P82 WeakPolarHBondContact O-CD 3.22Å; V80-N130 HydrophobicContact CG1-CB 4.38Å; V80-N130 WeakPolarHBondContact CG1-O 3.43Å
81	Y	64.9	Low	59.5	Low	44 Å²	44	90.8 Å²	90.8	17%	0.173	44%	0.437	C	S	.	.			trans	-92.9	99.6	175.5	-67.9	-82.6	0	0	0	109.5	F79 N130 N131 C132 C135 Y136 K139	F79-Y81 HydrophobicContact CB-CE2 3.8Å; Y81-N130 CarbonylContact C-O 3.55Å; Y81-N130 CarbonylContact O-C 3.57Å; Y81-N131 CarbonylContact O-C 3.58Å; Y81-N131 WeakPolarHBondContact O-CA 3.45Å; Y81-C132 VanDerWaalsContact O-CB 3.3Å; Y81-C132 WeakPolarHBondContact O-CB 3Å; Y81-C132 PolarHBondContact O-N 3.23Å; Y81-C135 HydrophobicContact CD1-CB 3.51Å; Y81-C135 HydrophobicContact CE1-CB 4.45Å; Y81-C135 HydrophobicContact CG-CB 3.84Å; Y81-Y136 HydrophobicContact CE2-CD2 4.09Å; Y81-K139 WeakPolarHBondContact OH-CE 3.36Å
82	P	65.5	Low	60.4	Low	62 Å²	62	90.7 Å²	90.7	40%	0.403	44%	0.435	S	S	.	.			trans	-66.6	148	-174	27.9	-36	0	0	0	112	V80 N130	V80-P82 WeakPolarHBondContact O-CD 3.22Å; P82-N130 WeakPolarHBondContact CA-OD1 3.45Å; P82-N130 WeakPolarHBondContact CB-ND2 3.32Å; P82-N130 WeakPolarHBondContact CB-OD1 3.37Å
83	H	72.2	Confident	61.5	Low	20 Å²	20	90.7 Å²	90.7	9%	0.093	44%	0.441	C	S	.	.			trans	-73	127.4	167.7	-79.7	-105.8	0	0	0	109.9	L85 C113 C116 N130 C132	H83-L85 HydrophobicContact CB-CD2 4.34Å; H83-L85 HydrophobicContact CB-CG 4.12Å; H83-L85 PolarHBondContact O-N 2.86Å; H83-C113 PolarHBondContact ND1-SG 3.43Å; H83-C116 PolarHBondContact CE1-SG 3.07Å; H83-N130 PolarHBondContact N-OD1 3.47Å; H83-C132 WeakPolarHBondContact NE2-CA 3.32Å
84	L	80.7	Confident	63	Low	99 Å²	99	86.3 Å²	86.3	52%	0.518	42%	0.422	S	S	.	.			trans	-91.7	86.5	173.2	-162.9	78.6	0	0	0	109.9	C113 Q114	L84-C113 CarbonylContact O-C 3.27Å; L84-C113 WeakPolarHBondContact O-CA 3.11Å; L84-Q114 HydrophobicContact CB-CB 4.33Å; L84-Q114 HydrophobicContact CD2-CB 4.07Å; L84-Q114 VanDerWaalsContact CD2-OE1 3.3Å; L84-Q114 PolarHBondContact O-N 3.42Å
85	L	85.4	Confident	64.5	Low	10 Å²	10	83.8 Å²	83.8	5%	0.052	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.2	-176.2	-63.3	175.9	0	0	0	111.9	H83 L111 K112 C113 Y120 A125 T178 P181	H83-L85 HydrophobicContact CB-CD2 4.34Å; H83-L85 HydrophobicContact CB-CG 4.12Å; H83-L85 PolarHBondContact O-N 2.86Å; L85-L111 HydrophobicContact CB-CB 4.46Å; L85-L111 HydrophobicContact CB-CD1 4.49Å; L85-L111 HydrophobicContact CD1-CD1 4.15Å; L85-L111 HydrophobicContact CD2-CB 4.41Å; L85-K112 WeakPolarHBondContact CA-O 3.24Å; L85-C113 HydrophobicContact CD2-CB 3.82Å; L85-Y120 HydrophobicContact CD2-CD2 3.81Å; L85-Y120 HydrophobicContact CD2-CE2 4.08Å; L85-A125 HydrophobicContact CD1-CB 3.66Å; L85-T178 HydrophobicContact CD1-CG2 3.54Å; L85-P181 WeakPolarHBondContact O-CG 3.39Å
86	F	84.8	Confident	66.3	Low	76 Å²	76	76.2 Å²	76.2	33%	0.333	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.4	171	66.2	-86.6	0	0	0	110.8	H88 L111 K112 Q114	F86-H88 HydrophobicContact CD2-CB 4.29Å; F86-H88 HydrophobicContact CE2-CB 3.9Å; F86-H88 AromaticContact CE2-CG 3.96Å; F86-H88 AromaticContact CE2-ND1 3.51Å; F86-H88 PolarHBondContact O-N 3.35Å; F86-L111 CarbonylContact O-C 3.59Å; F86-L111 VanDerWaalsContact O-CA 3.23Å; F86-L111 WeakPolarHBondContact O-CA 3.41Å; F86-K112 WeakPolarHBondContact CD1-O 3.47Å; F86-K112 HydrophobicContact CE1-CB 3.9Å; F86-K112 HydrophobicContact CE1-CG 4.12Å; F86-K112 WeakPolarHBondContact CE1-O 3.18Å; F86-K112 HydrophobicContact CE2-CB 4.21Å; F86-K112 HydrophobicContact CZ-CB 3.75Å; F86-K112 HydrophobicContact CZ-CD 3.99Å; F86-K112 HydrophobicContact CZ-CG 4.01Å; F86-K112 PolarHBondContact N-O 2.87Å; F86-K112 PolarHBondContact O-N 3.03Å; F86-Q114 HydrophobicContact CD1-CB 4.43Å; F86-Q114 HydrophobicContact CE1-CB 4.22Å
87	V	86.7	Confident	68	Low	32 Å²	32	71.7 Å²	71.7	19%	0.194	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.6	177.2	-174.3	0	0	0	0	109.6	K108 L111 P181	V87-K108 HydrophobicContact CG1-CB 3.51Å; V87-K108 HydrophobicContact CG1-CD 3.86Å; V87-K108 HydrophobicContact CG1-CG 3.75Å; V87-L111 HydrophobicContact CB-CD2 4.34Å; V87-L111 HydrophobicContact CG2-CD2 3.76Å; V87-P181 HydrophobicContact CG2-CB 4.4Å; V87-P181 HydrophobicContact CG2-CG 3.93Å
88	H	81.4	Confident	69.6	Low	57 Å²	57	66.4 Å²	66.4	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.2	-175.3	-165.5	64.4	0	0	0	111.9	F86 Y90 K108 Q109 G110 K112	F86-H88 HydrophobicContact CD2-CB 4.29Å; F86-H88 HydrophobicContact CE2-CB 3.9Å; F86-H88 AromaticContact CE2-CG 3.96Å; F86-H88 AromaticContact CE2-ND1 3.51Å; F86-H88 PolarHBondContact O-N 3.35Å; H88-Y90 HydrophobicContact CB-CE2 4.05Å; H88-Y90 AromaticContact CD2-CD1 3.63Å; H88-Y90 AromaticContact CD2-CE1 3.44Å; H88-Y90 VanDerWaalsContact CD2-CE1 3.44Å; H88-Y90 WeakPolarHBondContact CD2-CE1 3.35Å; H88-Y90 AromaticContact CD2-CZ 3.66Å; H88-K108 CarbonylContact O-C 3.45Å; H88-K108 WeakPolarHBondContact O-CA 3.22Å; H88-Q109 PolarHBondContact O-N 3.34Å; H88-G110 PolarHBondContact N-O 3.11Å; H88-K112 HydrophobicContact CB-CB 3.95Å
89	S	79.9	Confident	70.6	Confident	54 Å²	54	62.7 Å²	62.7	38%	0.378	31%	0.314	S	S	.	.			trans	-103.1	115.7	173.4	-54.5	0	0	0	0	109.2	K108	S89-K108 PolarHBondContact OG-N 3.26Å
90	Y	75.8	Confident	71	Confident	23 Å²	23	58.7 Å²	58.7	9%	0.09	30%	0.301	C	S	.	.			trans	-90.3	136.5	-178.4	-59.3	-89.2	0	0	0	110	H88 T94 L103 Q109 L111 N119	H88-Y90 HydrophobicContact CB-CE2 4.05Å; H88-Y90 AromaticContact CD2-CD1 3.63Å; H88-Y90 AromaticContact CD2-CE1 3.44Å; H88-Y90 VanDerWaalsContact CD2-CE1 3.44Å; H88-Y90 WeakPolarHBondContact CD2-CE1 3.35Å; H88-Y90 AromaticContact CD2-CZ 3.66Å; Y90-T94 HydrophobicContact CD1-CG2 3.53Å; Y90-T94 VanDerWaalsContact CD1-OG1 3.28Å; Y90-T94 WeakPolarHBondContact CD1-OG1 3.46Å; Y90-T94 HydrophobicContact CE1-CG2 3.61Å; Y90-T94 HydrophobicContact CG-CG2 4.13Å; Y90-L103 HydrophobicContact CD2-CD1 3.85Å; Y90-L103 HydrophobicContact CE2-CD1 3.39Å; Y90-Q109 HydrophobicContact CD2-CB 4.37Å; Y90-Q109 PolarHBondContact O-NE2 2.97Å; Y90-Q109 VanDerWaalsContact O-NE2 3.09Å; Y90-L111 PolarHBondContact OH-O 3.38Å; Y90-N119 HydrophobicContact CE1-CB 4.1Å; Y90-N119 VanDerWaalsContact CE1-CG 3.49Å; Y90-N119 VanDerWaalsContact CE1-OD1 3.29Å; Y90-N119 WeakPolarHBondContact CE1-OD1 3.35Å; Y90-N119 VanDerWaalsContact OH-CB 3.27Å; Y90-N119 WeakPolarHBondContact OH-CB 3.2Å; Y90-N119 VanDerWaalsContact OH-CG 3.26Å; Y90-N119 PolarHBondContact OH-OD1 2.79Å
91	R	66.3	Low	71.7	Confident	256 Å²	256	61.5 Å²	61.5	97%	0.966	31%	0.312	S	S	*	.	S	Bend	trans	-91.9	-13.6	177	-64.3	-176.3	-177.8	168.9	-0.9	113.3
92	T	64.8	Low	71.8	Confident	99 Å²	99	62.1 Å²	62.1	61%	0.607	32%	0.317	S	S	*	.	S	Bend	trans	-125.7	154.3	179	57.4	0	0	0	0	109.2	T94	T92-T94 PolarHBondContact O-N 3.43Å; T92-T94 PolarHBondContact O-OG1 3.49Å
93	P	64	Low	71.7	Confident	100 Å²	100	59.6 Å²	59.6	65%	0.649	30%	0.301	S	S	*	.			trans	-50.7	112	173.4	-25.4	33.8	0	0	0	110.1	M102	P93-M102 HydrophobicContact CB-CE 3.93Å; P93-M102 HydrophobicContact CB-SD 4.2Å
94	T	68.9	Low	71.4	Confident	20 Å²	20	66.1 Å²	66.1	12%	0.123	33%	0.329	C	S	.	.			trans	-124.4	136.4	-175.2	-57.8	0	0	0	0	109	Y90 T92 L103 N119	Y90-T94 HydrophobicContact CD1-CG2 3.53Å; Y90-T94 VanDerWaalsContact CD1-OG1 3.28Å; Y90-T94 WeakPolarHBondContact CD1-OG1 3.46Å; Y90-T94 HydrophobicContact CE1-CG2 3.61Å; Y90-T94 HydrophobicContact CG-CG2 4.13Å; T92-T94 PolarHBondContact O-N 3.43Å; T92-T94 PolarHBondContact O-OG1 3.49Å; T94-L103 HydrophobicContact CG2-CD1 4.09Å; T94-L103 VanDerWaalsContact O-CB 3.3Å; T94-L103 WeakPolarHBondContact O-CB 3.27Å; T94-L103 WeakPolarHBondContact O-CG 3.36Å; T94-L103 PolarHBondContact O-N 2.92Å; T94-N119 HydrophobicContact CG2-CB 4.01Å; T94-N119 VanDerWaalsContact CG2-ND2 3.29Å; T94-N119 WeakPolarHBondContact CG2-ND2 3.38Å
95	F	71.7	Confident	70.5	Confident	93 Å²	93	64 Å²	64	41%	0.408	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-105.3	147.8	-174.4	-62.2	-96.6	0	0	0	111.4	G100 E101 M102	F95-G100 VanDerWaalsContact CD1-O 3.28Å; F95-G100 WeakPolarHBondContact CD1-O 3.3Å; F95-E101 WeakPolarHBondContact CA-O 3.49Å; F95-M102 HydrophobicContact CD1-CB 3.94Å; F95-M102 HydrophobicContact CE1-CB 3.79Å; F95-M102 HydrophobicContact CE1-CE 3.99Å; F95-M102 HydrophobicContact CE1-CG 4.28Å; F95-M102 HydrophobicContact CE2-CE 4.42Å; F95-M102 HydrophobicContact CZ-CB 4.46Å; F95-M102 HydrophobicContact CZ-CE 3.63Å; F95-M102 HydrophobicContact CZ-CG 4.5Å
96	C	71.6	Confident	69.5	Low	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.37	C	S	.	.			trans	-71.1	130.8	172.1	173.3	0	0	0	0	110.5	F98 G100 E101 L103 N119 H121 C124	C96-F98 VanDerWaalsContact C-N 3.31Å; C96-F98 PolarHBondContact O-N 2.69Å; C96-G100 WeakPolarHBondContact O-CA 3.36Å; C96-G100 PolarHBondContact O-N 3.07Å; C96-E101 PolarHBondContact N-O 3.27Å; C96-L103 HydrophobicContact CB-CD2 4.02Å; C96-N119 CarbonylContact C-O 3.51Å; C96-N119 WeakPolarHBondContact CA-O 3.28Å; C96-H121 WeakPolarHBondContact CB-CE1 3.44Å; C96-H121 WeakPolarHBondContact CB-ND1 3.23Å; C96-H121 PolarHBondContact SG-N 3.01Å; C96-H121 PolarHBondContact SG-ND1 2.95Å; C96-C124 VanDerWaalsContact SG-CB 3.54Å
97	Y	69.2	Low	68.9	Low	29 Å²	29	72.4 Å²	72.4	11%	0.114	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.2	-179.4	-176.7	-90.9	0	0	0	113	L118 N119 Y120 M307 R308 V310	Y97-L118 HydrophobicContact CD1-CD1 4.03Å; Y97-L118 HydrophobicContact CD2-CB 4.5Å; Y97-L118 HydrophobicContact CD2-CD1 3.87Å; Y97-L118 HydrophobicContact CD2-CD2 3.6Å; Y97-L118 HydrophobicContact CD2-CG 4.19Å; Y97-L118 HydrophobicContact CE1-CD1 3.97Å; Y97-L118 HydrophobicContact CE2-CD1 3.78Å; Y97-L118 HydrophobicContact CE2-CD2 3.79Å; Y97-L118 HydrophobicContact CE2-CG 4.4Å; Y97-L118 HydrophobicContact CG-CB 4.39Å; Y97-L118 HydrophobicContact CG-CD1 3.98Å; Y97-L118 HydrophobicContact CG-CD2 4.3Å; Y97-L118 HydrophobicContact CG-CG 4.45Å; Y97-N119 WeakPolarHBondContact CB-O 3.01Å; Y97-N119 PolarHBondContact N-O 3.43Å; Y97-Y120 AromaticContact CD1-CE1 3.77Å; Y97-Y120 HydrophobicContact CD1-CE1 3.77Å; Y97-Y120 HydrophobicContact CG-CE1 4.1Å; Y97-M307 HydrophobicContact CE1-CE 4.01Å; Y97-M307 HydrophobicContact CE1-CG 4.13Å; Y97-M307 HydrophobicContact CE1-SD 3.9Å; Y97-R308 VanDerWaalsContact CE2-O 3.29Å; Y97-R308 WeakPolarHBondContact CE2-O 3.5Å; Y97-V310 HydrophobicContact CD2-CB 4.17Å; Y97-V310 HydrophobicContact CD2-CG2 4.27Å; Y97-V310 HydrophobicContact CE2-CB 4.34Å
98	F	71	Confident	68.5	Low	67 Å²	67	74.6 Å²	74.6	29%	0.294	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-46.9	-176.4	175.5	-93.2	0	0	0	113.2	C96 Y120 C124 K127 I128	C96-F98 VanDerWaalsContact C-N 3.31Å; C96-F98 PolarHBondContact O-N 2.69Å; F98-Y120 HydrophobicContact CB-CD1 4.11Å; F98-Y120 HydrophobicContact CB-CE1 4.49Å; F98-C124 HydrophobicContact CB-CB 3.9Å; F98-C124 HydrophobicContact CD1-CB 3.62Å; F98-C124 HydrophobicContact CG-CB 4.07Å; F98-K127 HydrophobicContact CE1-CB 3.9Å; F98-K127 HydrophobicContact CE1-CD 3.69Å; F98-K127 HydrophobicContact CE1-CG 4.4Å; F98-K127 HydrophobicContact CE2-CB 3.81Å; F98-K127 HydrophobicContact CZ-CB 3.43Å; F98-K127 VanDerWaalsContact CZ-CB 3.43Å; F98-K127 HydrophobicContact CZ-CD 3.78Å; F98-K127 HydrophobicContact CZ-CG 4.25Å; F98-I128 HydrophobicContact CB-CG2 3.97Å; F98-I128 HydrophobicContact CD2-CG2 3.65Å; F98-I128 HydrophobicContact CE2-CG2 4.46Å; F98-I128 HydrophobicContact CG-CG2 4.04Å
99	C	61.1	Low	68.4	Low	50 Å²	50	73.1 Å²	73.1	34%	0.338	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.6	-178.9	66.3	0	0	0	0	114.5	E101 H121 C124	C99-E101 HydrophobicContact CB-CG 4.39Å; C99-E101 PolarHBondContact O-N 2.76Å; C99-H121 PolarHBondContact SG-CE1 3.21Å; C99-H121 PolarHBondContact SG-ND1 3.44Å; C99-C124 VanDerWaalsContact SG-SG 3.61Å
100	G	55.8	Low	68.6	Low	16 Å²	16	70.6 Å²	70.6	17%	0.165	36%	0.364	C	S	.	.			trans	76.1	-9.3	-177.3	0	0	0	0	0	115.5	F95 C96 R308	F95-G100 VanDerWaalsContact CD1-O 3.28Å; F95-G100 WeakPolarHBondContact CD1-O 3.3Å; C96-G100 WeakPolarHBondContact O-CA 3.36Å; C96-G100 PolarHBondContact O-N 3.07Å; G100-R308 PolarHBondContact O-NH1 2.83Å; G100-R308 VanDerWaalsContact O-NH1 3.16Å
101	E	63.6	Low	69.2	Low	85 Å²	85	69.5 Å²	69.5	40%	0.397	36%	0.36	S	S	.	.			trans	-74.6	156.2	178.9	-57.4	171.9	162.6	0	0	112.2	F95 C96 C99 R123	F95-E101 WeakPolarHBondContact CA-O 3.49Å; C96-E101 PolarHBondContact N-O 3.27Å; C99-E101 HydrophobicContact CB-CG 4.39Å; C99-E101 PolarHBondContact O-N 2.76Å; E101-R123 IonicContact OE2-CZ 3.83Å; E101-R123 IonicContact OE2-NH2 3.67Å; E101-R123 PolarHBondContact OE2-NH2 3.35Å
102	M	66.6	Low	70.1	Confident	57 Å²	57	60.4 Å²	60.4	28%	0.281	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-66.5	143.8	177.1	-165.4	-179.3	-68	0	0	111.5	P93 F95 F104 H121	P93-M102 HydrophobicContact CB-CE 3.93Å; P93-M102 HydrophobicContact CB-SD 4.2Å; F95-M102 HydrophobicContact CD1-CB 3.94Å; F95-M102 HydrophobicContact CE1-CB 3.79Å; F95-M102 HydrophobicContact CE1-CE 3.99Å; F95-M102 HydrophobicContact CE1-CG 4.28Å; F95-M102 HydrophobicContact CE2-CE 4.42Å; F95-M102 HydrophobicContact CZ-CB 4.46Å; F95-M102 HydrophobicContact CZ-CE 3.63Å; F95-M102 HydrophobicContact CZ-CG 4.5Å; M102-F104 HydrophobicContact CB-CD2 4.25Å; M102-F104 HydrophobicContact CB-CE1 4.21Å; M102-F104 HydrophobicContact CB-CE2 3.85Å; M102-F104 HydrophobicContact CB-CZ 3.83Å; M102-F104 VanDerWaalsContact O-CD2 3.23Å; M102-F104 WeakPolarHBondContact O-CD2 3.37Å; M102-F104 PolarHBondContact O-N 3.4Å; M102-F104 HydrophobicContact SD-CD1 4.31Å; M102-F104 HydrophobicContact SD-CE1 4.07Å; M102-H121 PolarHBondContact O-NE2 2.92Å
103	L	65.2	Low	71	Confident	9 Å²	9	55.7 Å²	55.7	5%	0.047	30%	0.298	C	S	.	.			trans	-80.7	87.2	168.4	-61	173.7	0	0	0	108.2	Y90 T94 C96 Q109 N119 H121	Y90-L103 HydrophobicContact CD2-CD1 3.85Å; Y90-L103 HydrophobicContact CE2-CD1 3.39Å; T94-L103 HydrophobicContact CG2-CD1 4.09Å; T94-L103 VanDerWaalsContact O-CB 3.3Å; T94-L103 WeakPolarHBondContact O-CB 3.27Å; T94-L103 WeakPolarHBondContact O-CG 3.36Å; T94-L103 PolarHBondContact O-N 2.92Å; C96-L103 HydrophobicContact CB-CD2 4.02Å; L103-Q109 HydrophobicContact CB-CB 3.8Å; L103-Q109 WeakPolarHBondContact O-CB 3.39Å; L103-N119 HydrophobicContact CD1-CB 4.01Å; L103-H121 HydrophobicContact CD2-CB 4.38Å; L103-H121 VanDerWaalsContact CD2-CD2 3.48Å; L103-H121 WeakPolarHBondContact CD2-CD2 3.27Å
104	F	64.6	Low	71.6	Confident	156 Å²	156	57.2 Å²	57.2	68%	0.684	30%	0.297	S	S	*	.			trans	-69.7	149.1	-178.8	-66	-82.1	0	0	0	113.1	M102 Q109	M102-F104 HydrophobicContact CB-CD2 4.25Å; M102-F104 HydrophobicContact CB-CE1 4.21Å; M102-F104 HydrophobicContact CB-CE2 3.85Å; M102-F104 HydrophobicContact CB-CZ 3.83Å; M102-F104 VanDerWaalsContact O-CD2 3.23Å; M102-F104 WeakPolarHBondContact O-CD2 3.37Å; M102-F104 PolarHBondContact O-N 3.4Å; M102-F104 HydrophobicContact SD-CD1 4.31Å; M102-F104 HydrophobicContact SD-CE1 4.07Å; F104-Q109 WeakPolarHBondContact O-CB 3.46Å; F104-Q109 WeakPolarHBondContact O-CG 3.36Å
105	G	61.5	Low	71.5	Confident	54 Å²	54	57.4 Å²	57.4	56%	0.557	30%	0.3	S	S	*	.	S	Bend	trans	121.1	166.7	174	0	0	0	0	0	113.4	Q109	G105-Q109 VanDerWaalsContact C-CG 3.46Å; G105-Q109 WeakPolarHBondContact O-CG 3.31Å; G105-Q109 PolarHBondContact O-NE2 3.2Å
106	L	64.8	Low	71.4	Confident	167 Å²	167	53.7 Å²	53.7	87%	0.874	29%	0.286	S	S	*	.	S	Bend	trans	-84.5	-28.9	-179.9	-64.5	172	0	0	0	113	Q109	L106-Q109 PolarHBondContact O-NE2 3.16Å
107	V	73.3	Confident	71.7	Confident	96 Å²	96	55.2 Å²	55.2	58%	0.582	30%	0.301	S	S	*	.	S	Bend	trans	-146.1	149.3	-175.7	-67.5	0	0	0	0	111.5	Q109	V107-Q109 PolarHBondContact O-N 3.08Å; V107-Q109 VanDerWaalsContact O-N 3.14Å
108	K	78.2	Confident	72.2	Confident	79 Å²	79	55.5 Å²	55.5	34%	0.343	30%	0.304	S	S	.	.			trans	50	38.8	174.8	-64.3	-168.3	-176.7	-171.1	0	113	V87 H88 S89 G110 T183 F184	V87-K108 HydrophobicContact CG1-CB 3.51Å; V87-K108 HydrophobicContact CG1-CD 3.86Å; V87-K108 HydrophobicContact CG1-CG 3.75Å; H88-K108 CarbonylContact O-C 3.45Å; H88-K108 WeakPolarHBondContact O-CA 3.22Å; S89-K108 PolarHBondContact OG-N 3.26Å; K108-G110 PolarHBondContact O-N 3.38Å; K108-T183 HydrophobicContact CD-CG2 3.91Å; K108-F184 PolarHBondContact NZ-O 2.86Å
109	Q	78	Confident	72.8	Confident	26 Å²	26	53.9 Å²	53.9	12%	0.121	30%	0.299	C	S	.	.			trans	-67.2	-22.3	-170.4	-54.7	90.5	-23.1	0	0	113.2	H88 Y90 L103 F104 G105 L106 V107	H88-Q109 PolarHBondContact O-N 3.34Å; Y90-Q109 HydrophobicContact CD2-CB 4.37Å; Y90-Q109 PolarHBondContact O-NE2 2.97Å; Y90-Q109 VanDerWaalsContact O-NE2 3.09Å; L103-Q109 HydrophobicContact CB-CB 3.8Å; L103-Q109 WeakPolarHBondContact O-CB 3.39Å; F104-Q109 WeakPolarHBondContact O-CB 3.46Å; F104-Q109 WeakPolarHBondContact O-CG 3.36Å; G105-Q109 VanDerWaalsContact C-CG 3.46Å; G105-Q109 WeakPolarHBondContact O-CG 3.31Å; G105-Q109 PolarHBondContact O-NE2 3.2Å; L106-Q109 PolarHBondContact O-NE2 3.16Å; V107-Q109 PolarHBondContact O-N 3.08Å; V107-Q109 VanDerWaalsContact O-N 3.14Å
110	G	85.9	Confident	73.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-167.3	-179	0	0	0	0	0	113.5	H88 K108 Y120	H88-G110 PolarHBondContact N-O 3.11Å; K108-G110 PolarHBondContact O-N 3.38Å; G110-Y120 CarbonylContact C-O 3.52Å; G110-Y120 WeakPolarHBondContact CA-O 3.46Å
111	L	88.3	Confident	75	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.3	179.2	-57.1	178.3	0	0	0	109.4	L85 F86 V87 Y90 N119 Y120 K122 A125 V180 P181	L85-L111 HydrophobicContact CB-CB 4.46Å; L85-L111 HydrophobicContact CB-CD1 4.49Å; L85-L111 HydrophobicContact CD1-CD1 4.15Å; L85-L111 HydrophobicContact CD2-CB 4.41Å; F86-L111 CarbonylContact O-C 3.59Å; F86-L111 VanDerWaalsContact O-CA 3.23Å; F86-L111 WeakPolarHBondContact O-CA 3.41Å; V87-L111 HydrophobicContact CB-CD2 4.34Å; V87-L111 HydrophobicContact CG2-CD2 3.76Å; Y90-L111 PolarHBondContact OH-O 3.38Å; L111-N119 CarbonylContact O-C 3.31Å; L111-N119 WeakPolarHBondContact O-CA 3.46Å; L111-Y120 PolarHBondContact N-O 2.8Å; L111-Y120 PolarHBondContact O-N 3.18Å; L111-K122 HydrophobicContact CD1-CB 4.48Å; L111-K122 HydrophobicContact CD1-CG 4.25Å; L111-K122 HydrophobicContact CD2-CG 4.22Å; L111-K122 HydrophobicContact CG-CG 4.11Å; L111-A125 HydrophobicContact CD1-CB 3.6Å; L111-V180 HydrophobicContact CD1-CG1 3.96Å; L111-V180 HydrophobicContact CD1-CG2 4.4Å; L111-P181 HydrophobicContact CD2-CG 3.6Å
112	K	85	Confident	76	Confident	66 Å²	66	49.9 Å²	49.9	29%	0.287	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.1	171.3	-174.2	167.2	-177.7	177.3	0	109.5	L85 F86 H88 L118 N119	L85-K112 WeakPolarHBondContact CA-O 3.24Å; F86-K112 WeakPolarHBondContact CD1-O 3.47Å; F86-K112 HydrophobicContact CE1-CB 3.9Å; F86-K112 HydrophobicContact CE1-CG 4.12Å; F86-K112 WeakPolarHBondContact CE1-O 3.18Å; F86-K112 HydrophobicContact CE2-CB 4.21Å; F86-K112 HydrophobicContact CZ-CB 3.75Å; F86-K112 HydrophobicContact CZ-CD 3.99Å; F86-K112 HydrophobicContact CZ-CG 4.01Å; F86-K112 PolarHBondContact N-O 2.87Å; F86-K112 PolarHBondContact O-N 3.03Å; H88-K112 HydrophobicContact CB-CB 3.95Å; K112-L118 CarbonylContact C-O 3.56Å; K112-L118 WeakPolarHBondContact CA-O 3.48Å; K112-N119 WeakPolarHBondContact CG-OD1 3.41Å
113	C	82.2	Confident	76.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.6	170.3	-177.8	0	0	0	0	110	H83 L84 L85 A115 C116 G117 L118	H83-C113 PolarHBondContact ND1-SG 3.43Å; L84-C113 CarbonylContact O-C 3.27Å; L84-C113 WeakPolarHBondContact O-CA 3.11Å; L85-C113 HydrophobicContact CD2-CB 3.82Å; C113-A115 VanDerWaalsContact C-N 3.31Å; C113-A115 PolarHBondContact O-N 2.71Å; C113-C116 WeakPolarHBondContact CB-SG 3.48Å; C113-C116 PolarHBondContact SG-SG 2.86Å; C113-G117 WeakPolarHBondContact O-CA 2.98Å; C113-G117 PolarHBondContact O-N 3.37Å; C113-L118 PolarHBondContact N-O 3.13Å
114	Q	78.4	Confident	77.1	Confident	132 Å²	132	54.2 Å²	54.2	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.1	178.3	-171.9	167.8	-17.1	0	0	112.8	L84 F86	L84-Q114 HydrophobicContact CB-CB 4.33Å; L84-Q114 HydrophobicContact CD2-CB 4.07Å; L84-Q114 VanDerWaalsContact CD2-OE1 3.3Å; L84-Q114 PolarHBondContact O-N 3.42Å; F86-Q114 HydrophobicContact CD1-CB 4.43Å; F86-Q114 HydrophobicContact CE1-CB 4.22Å
115	A	66.2	Low	77.9	Confident	23 Å²	23	46.8 Å²	46.8	19%	0.19	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-55.4	-175.7	0	0	0	0	0	113.5	C113 C135	C113-A115 VanDerWaalsContact C-N 3.31Å; C113-A115 PolarHBondContact O-N 2.71Å; A115-C135 WeakPolarHBondContact CB-SG 3.32Å
116	C	68.6	Low	78.8	Confident	16 Å²	16	49 Å²	49	11%	0.108	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.7	178.9	64.4	0	0	0	0	113.7	H83 C113 L118 C132	H83-C116 PolarHBondContact CE1-SG 3.07Å; C113-C116 WeakPolarHBondContact CB-SG 3.48Å; C113-C116 PolarHBondContact SG-SG 2.86Å; C116-L118 HydrophobicContact CB-CD1 4.31Å; C116-L118 HydrophobicContact CB-CG 4.12Å; C116-L118 PolarHBondContact O-N 3.28Å; C116-L118 VanDerWaalsContact SG-CG 3.58Å; C116-C132 VanDerWaalsContact CB-SG 3.58Å
117	G	78.2	Confident	79.3	Confident	31 Å²	31	48.3 Å²	48.3	32%	0.32	23%	0.232	S	C	.	.			trans	75.6	2.4	-178.7	0	0	0	0	0	115	C113 N119	C113-G117 WeakPolarHBondContact O-CA 2.98Å; C113-G117 PolarHBondContact O-N 3.37Å; G117-N119 PolarHBondContact O-OD1 2.81Å
118	L	79.8	Confident	79.2	Confident	35 Å²	35	44.3 Å²	44.3	18%	0.183	21%	0.208	C	C	.	.			trans	-76.3	150.4	-177.1	-60.5	178.8	0	0	0	112	Y97 K112 C113 C116 Y120	Y97-L118 HydrophobicContact CD1-CD1 4.03Å; Y97-L118 HydrophobicContact CD2-CB 4.5Å; Y97-L118 HydrophobicContact CD2-CD1 3.87Å; Y97-L118 HydrophobicContact CD2-CD2 3.6Å; Y97-L118 HydrophobicContact CD2-CG 4.19Å; Y97-L118 HydrophobicContact CE1-CD1 3.97Å; Y97-L118 HydrophobicContact CE2-CD1 3.78Å; Y97-L118 HydrophobicContact CE2-CD2 3.79Å; Y97-L118 HydrophobicContact CE2-CG 4.4Å; Y97-L118 HydrophobicContact CG-CB 4.39Å; Y97-L118 HydrophobicContact CG-CD1 3.98Å; Y97-L118 HydrophobicContact CG-CD2 4.3Å; Y97-L118 HydrophobicContact CG-CG 4.45Å; K112-L118 CarbonylContact C-O 3.56Å; K112-L118 WeakPolarHBondContact CA-O 3.48Å; C113-L118 PolarHBondContact N-O 3.13Å; C116-L118 HydrophobicContact CB-CD1 4.31Å; C116-L118 HydrophobicContact CB-CG 4.12Å; C116-L118 PolarHBondContact O-N 3.28Å; C116-L118 VanDerWaalsContact SG-CG 3.58Å; L118-Y120 HydrophobicContact CB-CE2 3.63Å; L118-Y120 WeakPolarHBondContact CB-OH 3.17Å; L118-Y120 VanDerWaalsContact CD1-OH 3.24Å; L118-Y120 WeakPolarHBondContact CD1-OH 3.31Å
119	N	83.2	Confident	78.7	Confident	34 Å²	34	45 Å²	45	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.7	-172.3	-50	-50.5	0	0	0	110.5	Y90 T94 C96 Y97 L103 L111 K112 G117	Y90-N119 HydrophobicContact CE1-CB 4.1Å; Y90-N119 VanDerWaalsContact CE1-CG 3.49Å; Y90-N119 VanDerWaalsContact CE1-OD1 3.29Å; Y90-N119 WeakPolarHBondContact CE1-OD1 3.35Å; Y90-N119 VanDerWaalsContact OH-CB 3.27Å; Y90-N119 WeakPolarHBondContact OH-CB 3.2Å; Y90-N119 VanDerWaalsContact OH-CG 3.26Å; Y90-N119 PolarHBondContact OH-OD1 2.79Å; T94-N119 HydrophobicContact CG2-CB 4.01Å; T94-N119 VanDerWaalsContact CG2-ND2 3.29Å; T94-N119 WeakPolarHBondContact CG2-ND2 3.38Å; C96-N119 CarbonylContact C-O 3.51Å; C96-N119 WeakPolarHBondContact CA-O 3.28Å; Y97-N119 WeakPolarHBondContact CB-O 3.01Å; Y97-N119 PolarHBondContact N-O 3.43Å; L103-N119 HydrophobicContact CD1-CB 4.01Å; L111-N119 CarbonylContact O-C 3.31Å; L111-N119 WeakPolarHBondContact O-CA 3.46Å; K112-N119 WeakPolarHBondContact CG-OD1 3.41Å; G117-N119 PolarHBondContact O-OD1 2.81Å
120	Y	82.4	Confident	78.3	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.8	-174.7	-54.6	-88.7	0	0	0	112.1	L85 Y97 F98 G110 L111 L118 I128	L85-Y120 HydrophobicContact CD2-CD2 3.81Å; L85-Y120 HydrophobicContact CD2-CE2 4.08Å; Y97-Y120 AromaticContact CD1-CE1 3.77Å; Y97-Y120 HydrophobicContact CD1-CE1 3.77Å; Y97-Y120 HydrophobicContact CG-CE1 4.1Å; F98-Y120 HydrophobicContact CB-CD1 4.11Å; F98-Y120 HydrophobicContact CB-CE1 4.49Å; G110-Y120 CarbonylContact C-O 3.52Å; G110-Y120 WeakPolarHBondContact CA-O 3.46Å; L111-Y120 PolarHBondContact N-O 2.8Å; L111-Y120 PolarHBondContact O-N 3.18Å; L118-Y120 HydrophobicContact CB-CE2 3.63Å; L118-Y120 WeakPolarHBondContact CB-OH 3.17Å; L118-Y120 VanDerWaalsContact CD1-OH 3.24Å; L118-Y120 WeakPolarHBondContact CD1-OH 3.31Å; Y120-I128 HydrophobicContact CD1-CD1 4.13Å; Y120-I128 HydrophobicContact CD1-CG2 4Å; Y120-I128 HydrophobicContact CD2-CD1 4.38Å; Y120-I128 HydrophobicContact CE1-CD1 3.74Å; Y120-I128 HydrophobicContact CE1-CG2 3.83Å; Y120-I128 HydrophobicContact CE2-CD1 4.02Å; Y120-I128 HydrophobicContact CG-CD1 4.43Å
121	H	81.1	Confident	77.4	Confident	22 Å²	22	49.1 Å²	49.1	10%	0.102	24%	0.243	C	C	.	.			trans	-66	153.6	159.9	-58.2	94.3	0	0	0	109.3	C96 C99 M102 L103 R123 C124 A125	C96-H121 WeakPolarHBondContact CB-CE1 3.44Å; C96-H121 WeakPolarHBondContact CB-ND1 3.23Å; C96-H121 PolarHBondContact SG-N 3.01Å; C96-H121 PolarHBondContact SG-ND1 2.95Å; C99-H121 PolarHBondContact SG-CE1 3.21Å; C99-H121 PolarHBondContact SG-ND1 3.44Å; M102-H121 PolarHBondContact O-NE2 2.92Å; L103-H121 HydrophobicContact CD2-CB 4.38Å; L103-H121 VanDerWaalsContact CD2-CD2 3.48Å; L103-H121 WeakPolarHBondContact CD2-CD2 3.27Å; H121-R123 VanDerWaalsContact C-N 3.29Å; H121-R123 HydrophobicContact CB-CG 3.91Å; H121-R123 PolarHBondContact O-N 2.84Å; H121-C124 HydrophobicContact CB-CB 4.05Å; H121-C124 WeakPolarHBondContact O-CB 3.31Å; H121-C124 PolarHBondContact O-N 2.86Å; H121-A125 PolarHBondContact O-N 3.29Å
122	K	83.9	Confident	76.2	Confident	39 Å²	39	49.1 Å²	49.1	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-56.1	-44.1	174.6	-58.9	179.9	-165.2	167.8	0	112.6	L111 C124 A125 V180 T183 D214	L111-K122 HydrophobicContact CD1-CB 4.48Å; L111-K122 HydrophobicContact CD1-CG 4.25Å; L111-K122 HydrophobicContact CD2-CG 4.22Å; L111-K122 HydrophobicContact CG-CG 4.11Å; K122-C124 VanDerWaalsContact C-N 3.26Å; K122-C124 PolarHBondContact O-N 2.99Å; K122-A125 PolarHBondContact O-N 3.21Å; K122-V180 HydrophobicContact CB-CG1 4.44Å; K122-T183 WeakPolarHBondContact CE-OG1 3.25Å; K122-T183 VanDerWaalsContact NZ-CB 3.35Å; K122-T183 PolarHBondContact NZ-OG1 3.2Å; K122-D214 IonicContact NZ-OD1 2.71Å; K122-D214 PolarHBondContact NZ-OD1 3.46Å; K122-D214 IonicContact NZ-OD2 3.56Å; K122-D214 PolarHBondContact NZ-OD2 3.24Å
123	R	79.5	Confident	75	Confident	152 Å²	152	49.9 Å²	49.9	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-62.6	-32.5	176.4	66.6	-176.9	178.1	-152.7	3.7	113.2	E101 H121	E101-R123 IonicContact OE2-CZ 3.83Å; E101-R123 IonicContact OE2-NH2 3.67Å; E101-R123 PolarHBondContact OE2-NH2 3.35Å; H121-R123 VanDerWaalsContact C-N 3.29Å; H121-R123 HydrophobicContact CB-CG 3.91Å; H121-R123 PolarHBondContact O-N 2.84Å
124	C	75.6	Confident	73.7	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-82.5	-38.1	-177.5	-66.7	0	0	0	0	111.7	C96 F98 C99 H121 K122 R126 K127	C96-C124 VanDerWaalsContact SG-CB 3.54Å; F98-C124 HydrophobicContact CB-CB 3.9Å; F98-C124 HydrophobicContact CD1-CB 3.62Å; F98-C124 HydrophobicContact CG-CB 4.07Å; C99-C124 VanDerWaalsContact SG-SG 3.61Å; H121-C124 HydrophobicContact CB-CB 4.05Å; H121-C124 WeakPolarHBondContact O-CB 3.31Å; H121-C124 PolarHBondContact O-N 2.86Å; K122-C124 VanDerWaalsContact C-N 3.26Å; K122-C124 PolarHBondContact O-N 2.99Å; C124-R126 PolarHBondContact O-N 2.97Å; C124-K127 WeakPolarHBondContact O-CB 3.49Å; C124-K127 PolarHBondContact O-N 3.44Å
125	A	82	Confident	72.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-30.6	177.2	0	0	0	0	0	113.2	L85 L111 H121 K122 K127 I128 T178 V180	L85-A125 HydrophobicContact CD1-CB 3.66Å; L111-A125 HydrophobicContact CD1-CB 3.6Å; H121-A125 PolarHBondContact O-N 3.29Å; K122-A125 PolarHBondContact O-N 3.21Å; A125-K127 PolarHBondContact O-N 2.93Å; A125-I128 WeakPolarHBondContact O-CG1 3.42Å; A125-I128 PolarHBondContact O-N 2.86Å; A125-T178 VanDerWaalsContact O-CB 3.29Å; A125-T178 WeakPolarHBondContact O-CB 3.29Å; A125-T178 WeakPolarHBondContact O-CG2 3.44Å; A125-V180 HydrophobicContact CB-CG2 3.94Å
126	R	80.8	Confident	71.3	Confident	101 Å²	101	51.3 Å²	51.3	38%	0.381	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.2	174.6	-65	-170.7	179.8	113.1	8.3	113.9	C124 V180 C231 S232 G233	C124-R126 PolarHBondContact O-N 2.97Å; R126-V180 HydrophobicContact CG-CG2 3.68Å; R126-C231 PolarHBondContact NH2-O 2.94Å; R126-S232 VanDerWaalsContact NH2-C 3.25Å; R126-S232 PolarHBondContact NH2-O 3.42Å; R126-S232 VanDerWaalsContact NH2-O 3.15Å; R126-G233 VanDerWaalsContact NH2-CA 3.34Å
127	K	75	Confident	70	Confident	151 Å²	151	58.9 Å²	58.9	66%	0.657	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-8.1	-174.9	-59.5	-177.8	178.7	-173.3	0	113.4	F98 C124 A125	F98-K127 HydrophobicContact CE1-CB 3.9Å; F98-K127 HydrophobicContact CE1-CD 3.69Å; F98-K127 HydrophobicContact CE1-CG 4.4Å; F98-K127 HydrophobicContact CE2-CB 3.81Å; F98-K127 HydrophobicContact CZ-CB 3.43Å; F98-K127 VanDerWaalsContact CZ-CB 3.43Å; F98-K127 HydrophobicContact CZ-CD 3.78Å; F98-K127 HydrophobicContact CZ-CG 4.25Å; C124-K127 WeakPolarHBondContact O-CB 3.49Å; C124-K127 PolarHBondContact O-N 3.44Å; A125-K127 PolarHBondContact O-N 2.93Å
128	I	70.9	Confident	67.8	Low	13 Å²	13	63.5 Å²	63.5	7%	0.067	29%	0.294	C	S	.	.	S	Bend	trans	-83.6	146.3	-179	76.6	-174.4	0	0	0	110.8	F98 Y120 A125 T178	F98-I128 HydrophobicContact CB-CG2 3.97Å; F98-I128 HydrophobicContact CD2-CG2 3.65Å; F98-I128 HydrophobicContact CE2-CG2 4.46Å; F98-I128 HydrophobicContact CG-CG2 4.04Å; Y120-I128 HydrophobicContact CD1-CD1 4.13Å; Y120-I128 HydrophobicContact CD1-CG2 4Å; Y120-I128 HydrophobicContact CD2-CD1 4.38Å; Y120-I128 HydrophobicContact CE1-CD1 3.74Å; Y120-I128 HydrophobicContact CE1-CG2 3.83Å; Y120-I128 HydrophobicContact CE2-CD1 4.02Å; Y120-I128 HydrophobicContact CG-CD1 4.43Å; A125-I128 WeakPolarHBondContact O-CG1 3.42Å; A125-I128 PolarHBondContact O-N 2.86Å; I128-T178 HydrophobicContact CD1-CG2 4.06Å; I128-T178 HydrophobicContact CG1-CG2 3.88Å; I128-T178 WeakPolarHBondContact CG1-OG1 3.47Å; I128-T178 PolarHBondContact O-OG1 3.42Å
129	P	67.5	Low	65.7	Low	94 Å²	94	67.1 Å²	67.1	61%	0.61	31%	0.308	S	S	*	.			trans	-65	139.1	170.9	26.8	-33.3	0	0	0	110.4	N131	P129-N131 PolarHBondContact O-N 3.01Å
130	N	70.4	Confident	63.4	Low	9 Å²	9	71.8 Å²	71.8	5%	0.048	34%	0.339	C	S	.	.	S	Bend	trans	-80	47.7	-178.3	-158.5	25.1	0	0	0	112.8	V80 Y81 P82 H83 A175 K176 R177	V80-N130 HydrophobicContact CG1-CB 4.38Å; V80-N130 WeakPolarHBondContact CG1-O 3.43Å; Y81-N130 CarbonylContact C-O 3.55Å; Y81-N130 CarbonylContact O-C 3.57Å; P82-N130 WeakPolarHBondContact CA-OD1 3.45Å; P82-N130 WeakPolarHBondContact CB-ND2 3.32Å; P82-N130 WeakPolarHBondContact CB-OD1 3.37Å; H83-N130 PolarHBondContact N-OD1 3.47Å; N130-A175 WeakPolarHBondContact CB-O 3.41Å; N130-A175 PolarHBondContact ND2-O 3.43Å; N130-K176 WeakPolarHBondContact CB-O 3.38Å; N130-K176 PolarHBondContact N-O 2.85Å; N130-R177 PolarHBondContact ND2-O 3.43Å; N130-R177 VanDerWaalsContact ND2-O 3.13Å
131	N	66.8	Low	61.1	Low	102 Å²	102	82.2 Å²	82.2	55%	0.545	38%	0.378	S	S	.	.			trans	-126.8	82.1	-176.9	-163.8	18.6	0	0	0	112	Y81 P129 S133	Y81-N131 CarbonylContact O-C 3.58Å; Y81-N131 WeakPolarHBondContact O-CA 3.45Å; P129-N131 PolarHBondContact O-N 3.01Å; N131-S133 PolarHBondContact O-N 3.16Å
132	C	61.7	Low	58.7	Low	1 Å²	1	85.8 Å²	85.8	1%	0.007	40%	0.397	C	S	.	.			trans	-71.6	113.2	-173.6	-168.6	0	0	0	0	112.6	Y81 H83 C116 G134 C135	Y81-C132 VanDerWaalsContact O-CB 3.3Å; Y81-C132 WeakPolarHBondContact O-CB 3Å; Y81-C132 PolarHBondContact O-N 3.23Å; H83-C132 WeakPolarHBondContact NE2-CA 3.32Å; C116-C132 VanDerWaalsContact CB-SG 3.58Å; C132-G134 PolarHBondContact O-N 3.11Å; C132-C135 HydrophobicContact CB-CB 4.47Å; C132-C135 PolarHBondContact O-N 2.97Å
133	S	60.8	Low	56.2	Low	82 Å²	82	93.9 Å²	93.9	57%	0.573	43%	0.433	S	S	*	.	H	α-helix	trans	-61.7	-23.9	174.5	57.9	0	0	0	0	114.3	N131	N131-S133 PolarHBondContact O-N 3.16Å
134	G	55.1	Low	53.9	Low	12 Å²	12	91 Å²	91	12%	0.124	44%	0.436	C	S	.	.	H	α-helix	trans	-68.2	-42.1	177.2	0	0	0	0	0	112.9	C132 Y136 R137	C132-G134 PolarHBondContact O-N 3.11Å; G134-Y136 VanDerWaalsContact C-N 3.34Å; G134-R137 PolarHBondContact O-N 3.15Å
135	C	51.2	Low	51.5	Low	26 Å²	26	97.6 Å²	97.6	18%	0.176	47%	0.47	C	S	.	.	H	α-helix	trans	-68.4	-33.3	177.5	-69.9	0	0	0	0	112.2	Y81 A115 C132 R137 W138	Y81-C135 HydrophobicContact CD1-CB 3.51Å; Y81-C135 HydrophobicContact CE1-CB 4.45Å; Y81-C135 HydrophobicContact CG-CB 3.84Å; A115-C135 WeakPolarHBondContact CB-SG 3.32Å; C132-C135 HydrophobicContact CB-CB 4.47Å; C132-C135 PolarHBondContact O-N 2.97Å; C135-R137 VanDerWaalsContact C-N 3.26Å; C135-R137 PolarHBondContact O-N 2.91Å; C135-W138 PolarHBondContact O-N 3.5Å; C135-W138 VanDerWaalsContact O-N 3.08Å
136	Y	42.8	Very low	48.9	Very low	147 Å²	147	105.2 Å²	105.2	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-60.4	-36	176.3	-173	-99.2	0	0	0	112.4	Y81 G134 W138 K139	Y81-Y136 HydrophobicContact CE2-CD2 4.09Å; G134-Y136 VanDerWaalsContact C-N 3.34Å; Y136-W138 PolarHBondContact O-N 3.38Å; Y136-K139 HydrophobicContact CE2-CD 4.38Å; Y136-K139 PolarHBondContact O-N 3.12Å
137	R	40.2	Very low	46.4	Very low	175 Å²	175	104.4 Å²	104.4	66%	0.66	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-69	-13	176.7	-95.1	-178.1	160	149.8	-5	114.3	G134 C135 K139	G134-R137 PolarHBondContact O-N 3.15Å; C135-R137 VanDerWaalsContact C-N 3.26Å; C135-R137 PolarHBondContact O-N 2.91Å; R137-K139 VanDerWaalsContact C-N 3.29Å
138	W	33.1	Very low	44.2	Very low	127 Å²	127	104.9 Å²	104.9	48%	0.481	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-84.1	-0.8	176.2	-71.6	1.6	0	0	0	113.8	C135 Y136 T140 R141 F150	C135-W138 PolarHBondContact O-N 3.5Å; C135-W138 VanDerWaalsContact O-N 3.08Å; Y136-W138 PolarHBondContact O-N 3.38Å; W138-T140 PolarHBondContact O-N 3.4Å; W138-R141 PolarHBondContact O-N 3.44Å; W138-F150 HydrophobicContact CE3-CE1 4.21Å; W138-F150 HydrophobicContact CH2-CE1 4.47Å; W138-F150 HydrophobicContact CZ3-CD1 4.26Å; W138-F150 AromaticContact CZ3-CE1 3.49Å; W138-F150 HydrophobicContact CZ3-CE1 3.49Å; W138-F150 VanDerWaalsContact CZ3-CE1 3.49Å; W138-F150 AromaticContact CZ3-CZ 3.81Å; W138-F150 HydrophobicContact CZ3-CZ 3.81Å
139	K	35.3	Very low	42.2	Very low	111 Å²	111	112.7 Å²	112.7	48%	0.483	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-59.2	-24.9	172.6	-85.1	-165.6	174.8	-172	0	114.3	Y81 Y136 R137	Y81-K139 WeakPolarHBondContact OH-CE 3.36Å; Y136-K139 HydrophobicContact CE2-CD 4.38Å; Y136-K139 PolarHBondContact O-N 3.12Å; R137-K139 VanDerWaalsContact C-N 3.29Å
140	T	34.6	Very low	40.4	Very low	133 Å²	133	114.1 Å²	114.1	82%	0.816	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-91.2	6.2	-175.4	48.4	0	0	0	0	115.4	W138	W138-T140 PolarHBondContact O-N 3.4Å
141	R	34.2	Very low	38.5	Very low	224 Å²	224	119.5 Å²	119.5	85%	0.845	58%	0.584	S	S	*	*	S	Bend	trans	-126	0.5	-178.5	-78.1	-166	177.8	-154.2	-2.3	117.2	W138	W138-R141 PolarHBondContact O-N 3.44Å
142	L	30.5	Very low	36.9	Very low	96 Å²	96	116.1 Å²	116.1	50%	0.503	57%	0.573	S	S	.	*			trans	-125	47.5	-168.5	-68.7	168.5	0	0	0	114.6
143	F	32.6	Very low	35.5	Very low	209 Å²	209	121.3 Å²	121.3	92%	0.917	60%	0.599	S	S	*	*	S	Bend	trans	-82.2	5.8	155	-84.6	-73.5	0	0	0	112.9
144	S	31.3	Very low	34.1	Very low	92 Å²	92	122 Å²	122	64%	0.643	60%	0.596	S	S	*	*	S	Bend	trans	-146.9	93.5	178.7	-52.7	0	0	0	0	108.3
145	L	24.2	Very low	32.9	Very low	145 Å²	145	125.3 Å²	125.3	76%	0.759	62%	0.615	S	S	*	*			trans	159.4	123.6	144.2	-82.4	161.2	0	0	0	109.5	I147	L145-I147 HydrophobicContact CB-CD1 4.41Å; L145-I147 HydrophobicContact CB-CG1 4.48Å; L145-I147 PolarHBondContact O-N 2.78Å; L145-I147 VanDerWaalsContact O-N 3.15Å
146	N	28.6	Very low	31.8	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	65%	0.646	S	S	*	*			trans	-65.3	100	179.5	-151.4	-8.1	0	0	0	109.4
147	I	27.3	Very low	31.4	Very low	84 Å²	84	137.5 Å²	137.5	43%	0.431	66%	0.662	S	S	.	*			trans	-138.9	93.6	179.7	-55.7	177	0	0	0	110.7	L145 H149 F150	L145-I147 HydrophobicContact CB-CD1 4.41Å; L145-I147 HydrophobicContact CB-CG1 4.48Å; L145-I147 PolarHBondContact O-N 2.78Å; L145-I147 VanDerWaalsContact O-N 3.15Å; I147-H149 HydrophobicContact CG2-CB 4.02Å; I147-H149 PolarHBondContact O-N 3.49Å; I147-F150 HydrophobicContact CG2-CB 4.44Å; I147-F150 HydrophobicContact CG2-CD2 3.91Å; I147-F150 PolarHBondContact O-N 3.13Å
148	N	28.2	Very low	30.8	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	1.3	172.6	-81.9	-37.6	0	0	0	115.1
149	H	28.9	Very low	30.8	Very low	178 Å²	178	138 Å²	138	82%	0.824	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-4	-177.9	-124.8	-84.7	0	0	0	114.5	I147	I147-H149 HydrophobicContact CG2-CB 4.02Å; I147-H149 PolarHBondContact O-N 3.49Å
150	F	30.1	Very low	30.5	Very low	124 Å²	124	137.1 Å²	137.1	54%	0.544	68%	0.683	S	S	.	*	S	Bend	trans	-114.2	2.2	-168.3	-103.3	-70.5	0	0	0	117.1	W138 I147	W138-F150 HydrophobicContact CE3-CE1 4.21Å; W138-F150 HydrophobicContact CH2-CE1 4.47Å; W138-F150 HydrophobicContact CZ3-CD1 4.26Å; W138-F150 AromaticContact CZ3-CE1 3.49Å; W138-F150 HydrophobicContact CZ3-CE1 3.49Å; W138-F150 VanDerWaalsContact CZ3-CE1 3.49Å; W138-F150 AromaticContact CZ3-CZ 3.81Å; W138-F150 HydrophobicContact CZ3-CZ 3.81Å; I147-F150 HydrophobicContact CG2-CB 4.44Å; I147-F150 HydrophobicContact CG2-CD2 3.91Å; I147-F150 PolarHBondContact O-N 3.13Å
151	L	30.7	Very low	30.8	Very low	122 Å²	122	136.3 Å²	136.3	64%	0.639	68%	0.683	S	S	*	*			trans	-108.5	128.4	-175.9	-68.9	170.8	0	0	0	111.8	I154	L151-I154 HydrophobicContact CB-CD1 3.81Å; L151-I154 HydrophobicContact CB-CG1 4.16Å; L151-I154 HydrophobicContact CD1-CD1 3.99Å
152	G	32.7	Very low	30.4	Very low	31 Å²	31	129.1 Å²	129.1	32%	0.32	67%	0.667	S	S	.	*	S	Bend	trans	-48.1	154.7	166.3	0	0	0	0	0	110.9	I154	G152-I154 VanDerWaalsContact C-N 3.34Å; G152-I154 PolarHBondContact O-N 3.39Å
153	I	32.8	Very low	30.5	Very low	109 Å²	109	137 Å²	137	56%	0.559	69%	0.69	S	S	*	*			trans	-25.8	92.1	-172.9	-54.1	176.1	0	0	0	111.7	P155 A175	I153-P155 WeakPolarHBondContact O-CD 3.4Å; I153-A175 HydrophobicContact CD1-CB 3.37Å
154	I	30.8	Very low	30.4	Very low	97 Å²	97	132.2 Å²	132.2	50%	0.497	68%	0.683	S	S	.	*			trans	-79.4	115.6	158.7	-60.6	173.7	0	0	0	102.5	L151 G152 R156	L151-I154 HydrophobicContact CB-CD1 3.81Å; L151-I154 HydrophobicContact CB-CG1 4.16Å; L151-I154 HydrophobicContact CD1-CD1 3.99Å; G152-I154 VanDerWaalsContact C-N 3.34Å; G152-I154 PolarHBondContact O-N 3.39Å; I154-R156 PolarHBondContact O-N 3.49Å
155	P	29.8	Very low	30.4	Very low	82 Å²	82	129.9 Å²	129.9	53%	0.532	67%	0.674	S	S	.	*			trans	-55.4	119.8	169.9	-17.2	29.4	0	0	0	106.4	I153 K157	I153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-K157 PolarHBondContact O-N 3.34Å
156	R	28	Very low	30.8	Very low	220 Å²	220	130.2 Å²	130.2	83%	0.83	67%	0.665	S	S	*	*			trans	-49.5	127.4	-178.6	-74.7	-173.3	171.2	178	-3.1	108.3	I154 D158	I154-R156 PolarHBondContact O-N 3.49Å; R156-D158 PolarHBondContact O-N 2.8Å; R156-D158 VanDerWaalsContact O-N 3.12Å
157	K	34.7	Very low	31	Very low	209 Å²	209	125.2 Å²	125.2	91%	0.909	64%	0.641	S	S	*	*	S	Bend	trans	-65.2	-13.2	-179.5	-141.2	-179.4	-178.8	-172.3	0	112.2	P155 R159	P155-K157 PolarHBondContact O-N 3.34Å; K157-R159 PolarHBondContact O-N 3.47Å
158	D	28.6	Very low	31.4	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	65%	0.652	S	S	*	*			trans	-98.1	76	173.1	-54.7	-38.5	0	0	0	110.5	R156	R156-D158 PolarHBondContact O-N 2.8Å; R156-D158 VanDerWaalsContact O-N 3.12Å
159	R	33.3	Very low	32.2	Very low	159 Å²	159	127.1 Å²	127.1	60%	0.6	64%	0.639	S	S	*	*			trans	-95.9	101.3	153	-95.8	-169.4	179.3	-161.2	2.4	107.4	K157 R166 E171	K157-R159 PolarHBondContact O-N 3.47Å; R159-R166 PolarHBondContact NH2-O 3.47Å; R159-E171 IonicContact NH2-OE1 3.39Å; R159-E171 PolarHBondContact NH2-OE1 3.48Å
160	S	29.3	Very low	32.7	Very low	93 Å²	93	121.3 Å²	121.3	65%	0.65	61%	0.613	S	S	*	*			trans	-59.2	143.7	155.1	99.3	0	0	0	0	108.2	S162	S160-S162 PolarHBondContact O-N 3.09Å; S160-S162 PolarHBondContact O-OG 3Å
161	S	39.3	Very low	33.5	Very low	116 Å²	116	118.6 Å²	118.6	81%	0.811	60%	0.602	S	S	*	*	S	Bend	trans	-65.9	31.7	-170.3	50.5	0	0	0	0	116.2	W163	S161-W163 PolarHBondContact O-N 3.13Å
162	S	27.6	Very low	34.5	Very low	74 Å²	74	115.4 Å²	115.4	52%	0.517	59%	0.585	S	S	.	*			trans	-87.2	109.7	175	47.9	0	0	0	0	110.7	S160 S164	S160-S162 PolarHBondContact O-N 3.09Å; S160-S162 PolarHBondContact O-OG 3Å; S162-S164 PolarHBondContact O-N 3.38Å
163	W	31.6	Very low	35.4	Very low	260 Å²	260	118.7 Å²	118.7	99%	0.985	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	29.6	-179.2	-75.9	34.4	0	0	0	115.2	S161	S161-W163 PolarHBondContact O-N 3.13Å
164	S	30.5	Very low	36.6	Very low	110 Å²	110	116.5 Å²	116.5	77%	0.769	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	13.7	-179.4	60	0	0	0	0	114.4	S162	S162-S164 PolarHBondContact O-N 3.38Å
165	G	31.4	Very low	37.8	Very low	43 Å²	43	112.5 Å²	112.5	44%	0.443	56%	0.564	S	S	.	*	S	Bend	trans	-78.4	143.2	177.2	0	0	0	0	0	113.2
166	R	32.2	Very low	39.3	Very low	152 Å²	152	114 Å²	114	57%	0.574	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52.2	144.3	171.5	-80.3	-172.6	177.3	-157.6	-1.2	111	R159 M170 D174	R159-R166 PolarHBondContact NH2-O 3.47Å; R166-M170 HydrophobicContact CG-SD 4.23Å; R166-D174 IonicContact NH1-OD2 3.34Å; R166-D174 PolarHBondContact NH1-OD2 2.86Å
167	P	33.2	Very low	41.1	Very low	55 Å²	55	111.6 Å²	111.6	36%	0.357	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-61.4	145.1	178.1	-21	31.3	0	0	0	113	W169 M170 E171	P167-W169 VanDerWaalsContact C-N 3.26Å; P167-W169 HydrophobicContact CB-CD2 4.3Å; P167-W169 HydrophobicContact CB-CG 4.2Å; P167-W169 HydrophobicContact CB-CZ2 4.31Å; P167-W169 HydrophobicContact CG-CZ2 4.2Å; P167-W169 PolarHBondContact O-N 2.82Å; P167-M170 WeakPolarHBondContact O-CB 3.36Å; P167-M170 PolarHBondContact O-N 3.3Å; P167-E171 PolarHBondContact O-N 2.72Å
168	I	36.1	Very low	43	Very low	130 Å²	130	102.1 Å²	102.1	67%	0.667	51%	0.512	S	S	*	.	H	α-helix	trans	-56.5	-36.9	179.7	-76.9	169.1	0	0	0	112.6	M170 E171 L172	I168-M170 VanDerWaalsContact C-N 3.31Å; I168-M170 PolarHBondContact O-N 3.21Å; I168-E171 PolarHBondContact O-N 3.4Å; I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 PolarHBondContact O-N 3.17Å
169	W	43.5	Very low	45.5	Very low	153 Å²	153	100.6 Å²	100.6	58%	0.58	50%	0.498	S	S	*	.	H	α-helix	trans	-66.6	-33.3	179.1	61	-100.8	0	0	0	112.2	P167 L172 E173	P167-W169 VanDerWaalsContact C-N 3.26Å; P167-W169 HydrophobicContact CB-CD2 4.3Å; P167-W169 HydrophobicContact CB-CG 4.2Å; P167-W169 HydrophobicContact CB-CZ2 4.31Å; P167-W169 HydrophobicContact CG-CZ2 4.2Å; P167-W169 PolarHBondContact O-N 2.82Å; W169-L172 WeakPolarHBondContact O-CB 3.13Å; W169-L172 PolarHBondContact O-N 3.08Å; W169-E173 WeakPolarHBondContact CZ3-OE2 3.47Å; W169-E173 PolarHBondContact O-N 2.88Å
170	M	39.6	Very low	47.9	Very low	56 Å²	56	93.1 Å²	93.1	28%	0.276	47%	0.47	S	S	.	.	H	α-helix	trans	-72.4	-39.1	176.4	-171.4	-179.3	-65.9	0	0	110.8	R166 P167 I168 L172 E173 D174	R166-M170 HydrophobicContact CG-SD 4.23Å; P167-M170 WeakPolarHBondContact O-CB 3.36Å; P167-M170 PolarHBondContact O-N 3.3Å; I168-M170 VanDerWaalsContact C-N 3.31Å; I168-M170 PolarHBondContact O-N 3.21Å; M170-L172 VanDerWaalsContact C-N 3.28Å; M170-L172 PolarHBondContact O-N 3.45Å; M170-E173 PolarHBondContact O-N 2.88Å; M170-D174 WeakPolarHBondContact O-CB 3.42Å; M170-D174 PolarHBondContact O-N 3.13Å
171	E	47.2	Very low	50.6	Low	68 Å²	68	89 Å²	89	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-61.5	-38.5	170.2	-68.1	-177.2	-175.6	0	0	111.3	R159 P167 I168 A175	R159-E171 IonicContact NH2-OE1 3.39Å; R159-E171 PolarHBondContact NH2-OE1 3.48Å; P167-E171 PolarHBondContact O-N 2.72Å; I168-E171 PolarHBondContact O-N 3.4Å; E171-A175 WeakPolarHBondContact O-CB 3.41Å; E171-A175 PolarHBondContact O-N 2.79Å
172	L	52.2	Low	52.8	Low	55 Å²	55	84.4 Å²	84.4	29%	0.288	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-38.9	176.1	-167.2	76.5	0	0	0	112.1	I168 W169 M170 A175 K176	I168-L172 WeakPolarHBondContact O-CB 3.43Å; I168-L172 PolarHBondContact O-N 3.17Å; W169-L172 WeakPolarHBondContact O-CB 3.13Å; W169-L172 PolarHBondContact O-N 3.08Å; M170-L172 VanDerWaalsContact C-N 3.28Å; M170-L172 PolarHBondContact O-N 3.45Å; L172-A175 WeakPolarHBondContact O-CB 3.33Å; L172-A175 PolarHBondContact O-N 3.39Å; L172-K176 VanDerWaalsContact O-CG 3.24Å; L172-K176 WeakPolarHBondContact O-CG 3.29Å; L172-K176 PolarHBondContact O-N 3.15Å
173	E	52.1	Low	55.6	Low	100 Å²	100	81 Å²	81	47%	0.467	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-43.4	174.7	-85.4	178	145.4	0	0	112.5	W169 M170 A175 K176 R177	W169-E173 WeakPolarHBondContact CZ3-OE2 3.47Å; W169-E173 PolarHBondContact O-N 2.88Å; M170-E173 PolarHBondContact O-N 2.88Å; E173-A175 VanDerWaalsContact C-N 3.25Å; E173-A175 PolarHBondContact O-N 3.4Å; E173-K176 PolarHBondContact O-N 2.85Å; E173-K176 VanDerWaalsContact O-N 3.16Å; E173-R177 WeakPolarHBondContact O-CG 3.3Å; E173-R177 PolarHBondContact O-N 3.09Å
174	D	57.5	Low	58.2	Low	62 Å²	62	69.3 Å²	69.3	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-33.5	172.4	-78.5	-19.7	0	0	0	111.1	R166 M170 R177	R166-D174 IonicContact NH1-OD2 3.34Å; R166-D174 PolarHBondContact NH1-OD2 2.86Å; M170-D174 WeakPolarHBondContact O-CB 3.42Å; M170-D174 PolarHBondContact O-N 3.13Å; D174-R177 PolarHBondContact O-N 2.93Å; D174-R177 IonicContact OD1-NH1 3.72Å
175	A	56.7	Low	60.8	Low	14 Å²	14	71.5 Å²	71.5	12%	0.116	33%	0.331	C	S	.	.	H	α-helix	trans	-68.6	-34.1	173.7	0	0	0	0	0	113.1	N130 I153 E171 L172 E173 R177	N130-A175 WeakPolarHBondContact CB-O 3.41Å; N130-A175 PolarHBondContact ND2-O 3.43Å; I153-A175 HydrophobicContact CD1-CB 3.37Å; E171-A175 WeakPolarHBondContact O-CB 3.41Å; E171-A175 PolarHBondContact O-N 2.79Å; L172-A175 WeakPolarHBondContact O-CB 3.33Å; L172-A175 PolarHBondContact O-N 3.39Å; E173-A175 VanDerWaalsContact C-N 3.25Å; E173-A175 PolarHBondContact O-N 3.4Å; A175-R177 VanDerWaalsContact C-N 3.27Å; A175-R177 PolarHBondContact O-N 3.27Å
176	K	60.2	Low	63.5	Low	112 Å²	112	74.1 Å²	74.1	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-73.7	-19	177.2	-75.2	168.3	-179.3	176.6	0	112.6	N130 L172 E173	N130-K176 WeakPolarHBondContact CB-O 3.38Å; N130-K176 PolarHBondContact N-O 2.85Å; L172-K176 VanDerWaalsContact O-CG 3.24Å; L172-K176 WeakPolarHBondContact O-CG 3.29Å; L172-K176 PolarHBondContact O-N 3.15Å; E173-K176 PolarHBondContact O-N 2.85Å; E173-K176 VanDerWaalsContact O-N 3.16Å
177	R	65.4	Low	66	Low	170 Å²	170	70.2 Å²	70.2	64%	0.642	32%	0.322	S	S	*	.	S	Bend	trans	-80.7	132.2	177.6	-73.7	174.4	172.5	177	-2.2	111.6	N130 E173 D174 A175 K179	N130-R177 PolarHBondContact ND2-O 3.43Å; N130-R177 VanDerWaalsContact ND2-O 3.13Å; E173-R177 WeakPolarHBondContact O-CG 3.3Å; E173-R177 PolarHBondContact O-N 3.09Å; D174-R177 PolarHBondContact O-N 2.93Å; D174-R177 IonicContact OD1-NH1 3.72Å; A175-R177 VanDerWaalsContact C-N 3.27Å; A175-R177 PolarHBondContact O-N 3.27Å; R177-K179 PolarHBondContact O-N 3.23Å
178	T	74.8	Confident	68.4	Low	11 Å²	11	70.7 Å²	70.7	7%	0.067	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-79.9	121	179	-60.7	0	0	0	0	110.5	L85 A125 I128	L85-T178 HydrophobicContact CD1-CG2 3.54Å; A125-T178 VanDerWaalsContact O-CB 3.29Å; A125-T178 WeakPolarHBondContact O-CB 3.29Å; A125-T178 WeakPolarHBondContact O-CG2 3.44Å; I128-T178 HydrophobicContact CD1-CG2 4.06Å; I128-T178 HydrophobicContact CG1-CG2 3.88Å; I128-T178 WeakPolarHBondContact CG1-OG1 3.47Å; I128-T178 PolarHBondContact O-OG1 3.42Å
179	K	81.2	Confident	70.7	Confident	119 Å²	119	65.4 Å²	65.4	52%	0.517	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-79	129.9	-179.1	-66.7	-174	179.1	-177.3	0	111.3	R177 N229	R177-K179 PolarHBondContact O-N 3.23Å; K179-N229 CarbonylContact C-O 3.54Å; K179-N229 WeakPolarHBondContact CB-O 3.29Å
180	V	84.6	Confident	72.5	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	31%	0.306	C	S	.	.			trans	-110.7	124.3	-175.5	171.7	0	0	0	0	110.9	L111 K122 A125 R126 N229 D230 C231	L111-V180 HydrophobicContact CD1-CG1 3.96Å; L111-V180 HydrophobicContact CD1-CG2 4.4Å; K122-V180 HydrophobicContact CB-CG1 4.44Å; A125-V180 HydrophobicContact CB-CG2 3.94Å; R126-V180 HydrophobicContact CG-CG2 3.68Å; V180-N229 CarbonylContact C-O 3.56Å; V180-N229 VanDerWaalsContact C-O 3.31Å; V180-N229 PolarHBondContact N-O 3.41Å; V180-N229 CarbonylContact O-C 3.44Å; V180-N229 VanDerWaalsContact O-C 3.27Å; V180-N229 VanDerWaalsContact O-O 3.04Å; V180-D230 PolarHBondContact O-N 2.99Å; V180-C231 WeakPolarHBondContact O-CB 3.4Å; V180-C231 PolarHBondContact O-N 3.45Å
181	P	85.8	Confident	74.7	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.039	33%	0.328	C	S	.	.			trans	-71.6	156.1	-179	31.8	-38.6	0	0	0	113	L85 V87 L111 N229	L85-P181 WeakPolarHBondContact O-CG 3.39Å; V87-P181 HydrophobicContact CG2-CB 4.4Å; V87-P181 HydrophobicContact CG2-CG 3.93Å; L111-P181 HydrophobicContact CD2-CG 3.6Å; P181-N229 HydrophobicContact CB-CB 4.33Å
182	H	85.6	Confident	76.5	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.093	35%	0.349	C	S	.	.			trans	-72.5	151.6	172.6	-69.6	-90.3	0	0	0	112.3	F184 C212 C215 P228 C231	H182-F184 HydrophobicContact CB-CD2 3.99Å; H182-F184 HydrophobicContact CB-CE1 4.27Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 VanDerWaalsContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.64Å; H182-F184 AromaticContact CG-CZ 3.92Å; H182-C212 HydrophobicContact CB-CB 4.16Å; H182-C212 PolarHBondContact ND1-SG 2.75Å; H182-C212 VanDerWaalsContact ND1-SG 3.4Å; H182-C215 PolarHBondContact CE1-SG 3.15Å; H182-C215 PolarHBondContact ND1-SG 3.2Å; H182-P228 PolarHBondContact CD2-O 3.27Å; H182-C231 HydrophobicContact CB-CB 4.47Å
183	T	85.6	Confident	78.3	Confident	3 Å²	3	69 Å²	69	2%	0.018	34%	0.343	C	S	.	.			trans	-104.9	84.3	171.4	-59.6	0	0	0	0	111.1	K108 K122 C212 A213 D214	K108-T183 HydrophobicContact CD-CG2 3.91Å; K122-T183 WeakPolarHBondContact CE-OG1 3.25Å; K122-T183 VanDerWaalsContact NZ-CB 3.35Å; K122-T183 PolarHBondContact NZ-OG1 3.2Å; T183-C212 PolarHBondContact N-SG 3.35Å; T183-C212 VanDerWaalsContact N-SG 3.44Å; T183-C212 WeakPolarHBondContact O-CA 3.48Å; T183-A213 PolarHBondContact O-N 3.44Å; T183-D214 VanDerWaalsContact CB-OD2 3.25Å; T183-D214 WeakPolarHBondContact CB-OD2 3.4Å; T183-D214 PolarHBondContact OG1-OD2 3.21Å
184	F	87.8	Confident	80.1	Confident	14 Å²	14	67.5 Å²	67.5	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.9	178.8	-70	-62.9	0	0	0	112.7	K108 H182 L210 Q211 C212 Y217 C219 E224 V227	K108-F184 PolarHBondContact NZ-O 2.86Å; H182-F184 HydrophobicContact CB-CD2 3.99Å; H182-F184 HydrophobicContact CB-CE1 4.27Å; H182-F184 HydrophobicContact CB-CE2 3.5Å; H182-F184 VanDerWaalsContact CB-CE2 3.5Å; H182-F184 HydrophobicContact CB-CZ 3.64Å; H182-F184 AromaticContact CG-CZ 3.92Å; F184-L210 HydrophobicContact CB-CB 4.08Å; F184-L210 HydrophobicContact CB-CD1 4.14Å; F184-L210 HydrophobicContact CB-CG 4.48Å; F184-L210 HydrophobicContact CD1-CB 3.84Å; F184-L210 HydrophobicContact CG-CB 4.18Å; F184-L210 HydrophobicContact CG-CD1 4.37Å; F184-Q211 WeakPolarHBondContact CA-O 3.06Å; F184-C212 HydrophobicContact CD1-CB 4.22Å; F184-C212 HydrophobicContact CE1-CB 4.02Å; F184-Y217 HydrophobicContact CE1-CD1 4.11Å; F184-Y217 WeakPolarHBondContact CE1-O 3.45Å; F184-Y217 HydrophobicContact CZ-CD1 4.08Å; F184-C219 VanDerWaalsContact CE1-SG 3.54Å; F184-E224 HydrophobicContact CD2-CG 3.91Å; F184-E224 HydrophobicContact CE2-CG 4.35Å; F184-V227 HydrophobicContact CE2-CB 4.45Å; F184-V227 HydrophobicContact CE2-CG1 4.48Å; F184-V227 HydrophobicContact CZ-CB 4.4Å; F184-V227 HydrophobicContact CZ-CG1 4.11Å; F184-V227 HydrophobicContact CZ-CG2 4.32Å
185	R	84.3	Confident	81.6	Confident	157 Å²	157	64.5 Å²	64.5	59%	0.592	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.7	169.6	-64	-176.3	179	176.9	-0.8	109	H187 L210 Q211	R185-H187 PolarHBondContact O-N 3.27Å; R185-L210 CarbonylContact O-C 3.55Å; R185-L210 VanDerWaalsContact O-CA 3.29Å; R185-L210 WeakPolarHBondContact O-CA 3.37Å; R185-Q211 PolarHBondContact N-O 2.9Å; R185-Q211 PolarHBondContact O-N 3.31Å
186	L	88.5	Confident	83.2	Confident	97 Å²	97	67.6 Å²	67.6	51%	0.508	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.5	169.6	-74	165.2	0	0	0	109.1	R207 L210	L186-R207 HydrophobicContact CB-CG 4.45Å; L186-L210 HydrophobicContact CD2-CD2 3.76Å; L186-L210 HydrophobicContact CG-CD2 4.01Å
187	H	84	Confident	84.5	Confident	70 Å²	70	67.1 Å²	67.1	32%	0.324	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.3	-176.4	-168.1	82.3	0	0	0	110.9	R185 Y189 R207 Q208 G209 Q211	R185-H187 PolarHBondContact O-N 3.27Å; H187-Y189 HydrophobicContact CB-CE2 4.09Å; H187-Y189 AromaticContact CD2-CD1 3.51Å; H187-Y189 AromaticContact CD2-CE1 3.41Å; H187-Y189 VanDerWaalsContact CD2-CE1 3.41Å; H187-Y189 WeakPolarHBondContact CD2-CE1 3.35Å; H187-Y189 AromaticContact CD2-CE2 3.98Å; H187-Y189 AromaticContact CD2-CG 3.84Å; H187-Y189 AromaticContact CD2-CZ 3.68Å; H187-R207 CarbonylContact O-C 3.51Å; H187-R207 WeakPolarHBondContact O-CA 3.34Å; H187-Q208 PolarHBondContact O-N 3.04Å; H187-G209 PolarHBondContact N-O 2.68Å; H187-Q211 HydrophobicContact CB-CB 3.77Å; H187-Q211 PolarHBondContact CE1-OE1 3.33Å; H187-Q211 PolarHBondContact ND1-OE1 2.98Å
188	T	83.7	Confident	85.5	Confident	66 Å²	66	61 Å²	61	41%	0.405	31%	0.314	S	S	.	.			trans	-99.5	116.2	173.6	-61.8	0	0	0	0	108.6	V206 R207	T188-V206 HydrophobicContact CG2-CG1 4.48Å; T188-R207 PolarHBondContact OG1-N 3.39Å
189	Y	83.9	Confident	86.1	Confident	18 Å²	18	67.6 Å²	67.6	7%	0.071	34%	0.343	C	S	.	.			trans	-92.4	125.9	-179.4	-58.6	-88.3	0	0	0	109.7	H187 K191 T193 L202 Q208 L210 Q211 N218	H187-Y189 HydrophobicContact CB-CE2 4.09Å; H187-Y189 AromaticContact CD2-CD1 3.51Å; H187-Y189 AromaticContact CD2-CE1 3.41Å; H187-Y189 VanDerWaalsContact CD2-CE1 3.41Å; H187-Y189 WeakPolarHBondContact CD2-CE1 3.35Å; H187-Y189 AromaticContact CD2-CE2 3.98Å; H187-Y189 AromaticContact CD2-CG 3.84Å; H187-Y189 AromaticContact CD2-CZ 3.68Å; Y189-K191 VanDerWaalsContact C-N 3.31Å; Y189-T193 HydrophobicContact CD1-CG2 3.8Å; Y189-T193 VanDerWaalsContact CD1-OG1 3.31Å; Y189-T193 WeakPolarHBondContact CD1-OG1 3.47Å; Y189-T193 HydrophobicContact CE1-CG2 3.81Å; Y189-T193 HydrophobicContact CG-CG2 4.31Å; Y189-L202 HydrophobicContact CD2-CD1 3.9Å; Y189-L202 HydrophobicContact CE2-CD1 3.41Å; Y189-L202 VanDerWaalsContact CE2-CD1 3.41Å; Y189-Q208 HydrophobicContact CD2-CB 4.31Å; Y189-Q208 PolarHBondContact O-NE2 3.44Å; Y189-Q208 VanDerWaalsContact O-NE2 3.09Å; Y189-L210 PolarHBondContact OH-O 2.91Å; Y189-L210 VanDerWaalsContact OH-O 3.13Å; Y189-Q211 WeakPolarHBondContact OH-CB 3.41Å; Y189-N218 HydrophobicContact CE1-CB 4.32Å; Y189-N218 VanDerWaalsContact CE1-OD1 3.27Å; Y189-N218 WeakPolarHBondContact CE1-OD1 3.36Å; Y189-N218 WeakPolarHBondContact OH-CB 3.44Å; Y189-N218 VanDerWaalsContact OH-CG 3.25Å; Y189-N218 PolarHBondContact OH-OD1 3.38Å
190	A	82.3	Confident	86.5	Confident	97 Å²	97	69 Å²	69	80%	0.802	35%	0.349	S	S	*	.	S	Bend	trans	-75.2	-21.5	173.8	0	0	0	0	0	112.8
191	K	85.9	Confident	86.7	Confident	170 Å²	170	72.7 Å²	72.7	74%	0.739	37%	0.368	S	S	*	.	S	Bend	trans	-115	147.9	178.8	-62.8	-176.6	-179.4	-177.4	0	110.7	Y189 T193	Y189-K191 VanDerWaalsContact C-N 3.31Å; K191-T193 PolarHBondContact O-N 3.32Å; K191-T193 PolarHBondContact O-OG1 3.08Å
192	P	85.5	Confident	86.7	Confident	116 Å²	116	72.7 Å²	72.7	75%	0.753	37%	0.367	S	S	*	.			trans	-52.9	111.5	173	-24.6	33.6	0	0	0	110.9	L201	P192-L201 HydrophobicContact CB-CD1 3.89Å
193	T	90.1	Very high	86.5	Confident	26 Å²	26	80.1 Å²	80.1	16%	0.16	40%	0.4	C	S	.	.			trans	-115.7	136.8	-173.6	-59.8	0	0	0	0	110.3	Y189 K191 L201 L202 N218	Y189-T193 HydrophobicContact CD1-CG2 3.8Å; Y189-T193 VanDerWaalsContact CD1-OG1 3.31Å; Y189-T193 WeakPolarHBondContact CD1-OG1 3.47Å; Y189-T193 HydrophobicContact CE1-CG2 3.81Å; Y189-T193 HydrophobicContact CG-CG2 4.31Å; K191-T193 PolarHBondContact O-N 3.32Å; K191-T193 PolarHBondContact O-OG1 3.08Å; T193-L201 WeakPolarHBondContact O-CD1 3.45Å; T193-L202 HydrophobicContact CG2-CD1 4Å; T193-L202 VanDerWaalsContact O-CB 3.31Å; T193-L202 WeakPolarHBondContact O-CB 3.35Å; T193-L202 WeakPolarHBondContact O-CG 3.42Å; T193-L202 PolarHBondContact O-N 3.33Å; T193-N218 HydrophobicContact CG2-CB 3.95Å; T193-N218 WeakPolarHBondContact CG2-ND2 3.4Å
194	V	89.4	Confident	86.2	Confident	67 Å²	67	82.6 Å²	82.6	41%	0.406	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-95.8	141.8	-178.3	179.6	0	0	0	0	110.9	H196 K199 L201	V194-H196 PolarHBondContact O-N 3.33Å; V194-K199 VanDerWaalsContact CG1-O 3.3Å; V194-K199 WeakPolarHBondContact CG1-O 3.36Å; V194-L201 HydrophobicContact CG2-CD1 4.03Å
195	C	89.3	Confident	85.6	Confident	0 Å²	0	89.7 Å²	89.7	0%	0	46%	0.463	C	S	.	.			trans	-68.8	124.5	170.6	171.6	0	0	0	0	110.4	Y197 C198 K199 K200 L202 C219 H220	C195-Y197 PolarHBondContact O-N 2.7Å; C195-Y197 PolarHBondContact SG-N 3.01Å; C195-Y197 VanDerWaalsContact SG-N 3.44Å; C195-C198 PolarHBondContact SG-N 3.1Å; C195-C198 VanDerWaalsContact SG-SG 3.66Å; C195-K199 WeakPolarHBondContact O-CA 3.45Å; C195-K199 PolarHBondContact O-N 2.98Å; C195-K200 WeakPolarHBondContact CB-O 3.23Å; C195-K200 PolarHBondContact N-O 2.92Å; C195-L202 HydrophobicContact CB-CD2 4.04Å; C195-C219 VanDerWaalsContact SG-CA 3.55Å; C195-H220 WeakPolarHBondContact CB-CE1 3.29Å; C195-H220 VanDerWaalsContact CB-ND1 3.27Å; C195-H220 WeakPolarHBondContact CB-ND1 3.42Å
196	H	89.8	Confident	85.4	Confident	79 Å²	79	87 Å²	87	37%	0.366	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.6	-179.4	-69.4	90.9	0	0	0	113.9	V194 K199 Y217 N218	V194-H196 PolarHBondContact O-N 3.33Å; H196-K199 WeakPolarHBondContact O-CD 3.41Å; H196-K199 WeakPolarHBondContact O-CE 3.19Å; H196-K199 PolarHBondContact O-NZ 3.37Å; H196-Y217 HydrophobicContact CB-CD1 4.17Å; H196-Y217 HydrophobicContact CB-CD2 4.15Å; H196-Y217 HydrophobicContact CB-CE1 3.61Å; H196-Y217 HydrophobicContact CB-CE2 3.6Å; H196-Y217 HydrophobicContact CB-CG 4.42Å; H196-Y217 WeakPolarHBondContact CB-OH 3.37Å; H196-N218 PolarHBondContact CE1-N 2.74Å; H196-N218 PolarHBondContact N-O 3.32Å; H196-N218 PolarHBondContact ND1-N 2.88Å; H196-N218 PolarHBondContact ND1-O 3.22Å
197	Y	87.6	Confident	85.1	Confident	102 Å²	102	90.4 Å²	90.4	40%	0.4	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-67.7	178.2	177.9	-101.1	0	0	0	111.8	C195 K199 Y217 C223 Y226	C195-Y197 PolarHBondContact O-N 2.7Å; C195-Y197 PolarHBondContact SG-N 3.01Å; C195-Y197 VanDerWaalsContact SG-N 3.44Å; Y197-K199 VanDerWaalsContact C-N 3.31Å; Y197-K199 PolarHBondContact O-N 3.02Å; Y197-Y217 PolarHBondContact N-OH 3.28Å; Y197-C223 HydrophobicContact CD1-CB 3.95Å; Y197-C223 HydrophobicContact CG-CB 4.48Å; Y197-Y226 HydrophobicContact CE1-CD2 4.33Å; Y197-Y226 HydrophobicContact CE1-CG 4.2Å; Y197-Y226 VanDerWaalsContact CE2-O 3.3Å; Y197-Y226 WeakPolarHBondContact CE2-O 3.09Å; Y197-Y226 WeakPolarHBondContact OH-CB 3.11Å
198	C	85.8	Confident	85.1	Confident	40 Å²	40	88.4 Å²	88.4	27%	0.27	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.8	-175.4	73	0	0	0	0	114.4	C195 K200 H220	C195-C198 PolarHBondContact SG-N 3.1Å; C195-C198 VanDerWaalsContact SG-SG 3.66Å; C198-K200 PolarHBondContact O-N 2.89Å; C198-K200 VanDerWaalsContact O-N 3.11Å; C198-H220 PolarHBondContact SG-CE1 3.47Å; C198-H220 PolarHBondContact SG-ND1 3.22Å
199	K	88.5	Confident	85.3	Confident	151 Å²	151	85.4 Å²	85.4	66%	0.657	44%	0.443	S	S	*	.			trans	59.8	16.1	-178.1	-48.6	-57.2	-172.9	-175.6	0	115.1	V194 C195 H196 Y197	V194-K199 VanDerWaalsContact CG1-O 3.3Å; V194-K199 WeakPolarHBondContact CG1-O 3.36Å; C195-K199 WeakPolarHBondContact O-CA 3.45Å; C195-K199 PolarHBondContact O-N 2.98Å; H196-K199 WeakPolarHBondContact O-CD 3.41Å; H196-K199 WeakPolarHBondContact O-CE 3.19Å; H196-K199 PolarHBondContact O-NZ 3.37Å; Y197-K199 VanDerWaalsContact C-N 3.31Å; Y197-K199 PolarHBondContact O-N 3.02Å
200	K	89.1	Confident	85.7	Confident	149 Å²	149	85 Å²	85	65%	0.648	44%	0.442	S	S	*	.			trans	-98	153.3	175.7	-60.3	179.3	-179.6	-177.4	0	112	C195 C198 H220	C195-K200 WeakPolarHBondContact CB-O 3.23Å; C195-K200 PolarHBondContact N-O 2.92Å; C198-K200 PolarHBondContact O-N 2.89Å; C198-K200 VanDerWaalsContact O-N 3.11Å; K200-H220 PolarHBondContact O-CE1 3.44Å
201	L	87.8	Confident	86.1	Confident	78 Å²	78	82.2 Å²	82.2	41%	0.408	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-62.4	139.4	179	-162.7	73.3	0	0	0	112.3	P192 T193 V194 K203 H220	P192-L201 HydrophobicContact CB-CD1 3.89Å; T193-L201 WeakPolarHBondContact O-CD1 3.45Å; V194-L201 HydrophobicContact CG2-CD1 4.03Å; L201-K203 PolarHBondContact O-N 2.91Å; L201-H220 PolarHBondContact O-NE2 3.37Å
202	L	86.5	Confident	86.2	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.037	38%	0.377	C	S	.	.			trans	-74.8	98.3	167.1	-60.1	177.4	0	0	0	108.2	Y189 T193 C195 Q208 N218 H220	Y189-L202 HydrophobicContact CD2-CD1 3.9Å; Y189-L202 HydrophobicContact CE2-CD1 3.41Å; Y189-L202 VanDerWaalsContact CE2-CD1 3.41Å; T193-L202 HydrophobicContact CG2-CD1 4Å; T193-L202 VanDerWaalsContact O-CB 3.31Å; T193-L202 WeakPolarHBondContact O-CB 3.35Å; T193-L202 WeakPolarHBondContact O-CG 3.42Å; T193-L202 PolarHBondContact O-N 3.33Å; C195-L202 HydrophobicContact CB-CD2 4.04Å; L202-Q208 HydrophobicContact CB-CB 3.85Å; L202-N218 HydrophobicContact CD1-CB 4.33Å; L202-H220 HydrophobicContact CD2-CB 4.29Å; L202-H220 WeakPolarHBondContact CD2-CD2 3.44Å
203	K	80.7	Confident	86.1	Confident	176 Å²	176	70.9 Å²	70.9	77%	0.765	36%	0.36	S	S	*	.			trans	-79.9	140.4	-176.3	-62.2	-174.7	177.7	-171.9	0	111.3	L201	L201-K203 PolarHBondContact O-N 2.91Å
204	G	79.1	Confident	85.7	Confident	54 Å²	54	71.4 Å²	71.4	56%	0.557	36%	0.362	S	S	*	.	S	Bend	trans	130.5	171	173.4	0	0	0	0	0	113.8	Q208	G204-Q208 WeakPolarHBondContact O-CG 3.46Å; G204-Q208 PolarHBondContact O-NE2 3.44Å
205	L	75	Confident	85.5	Confident	164 Å²	164	68.6 Å²	68.6	86%	0.859	35%	0.345	S	S	*	.	S	Bend	trans	-95.9	-28	179.2	-66.2	171.5	0	0	0	113.2	Q208	L205-Q208 VanDerWaalsContact C-NE2 3.27Å; L205-Q208 PolarHBondContact O-NE2 2.68Å; L205-Q208 VanDerWaalsContact O-NE2 3.13Å
206	V	80.1	Confident	85.4	Confident	101 Å²	101	71.6 Å²	71.6	61%	0.612	36%	0.361	S	S	*	.	S	Bend	trans	-138.9	139.9	-176.7	-177.3	0	0	0	0	109.5	T188 Q208	T188-V206 HydrophobicContact CG2-CG1 4.48Å; V206-Q208 VanDerWaalsContact C-N 3.27Å; V206-Q208 PolarHBondContact O-N 2.74Å
207	R	82.2	Confident	85.4	Confident	168 Å²	168	70.4 Å²	70.4	63%	0.634	35%	0.354	S	S	*	.			trans	49.3	44.4	177.3	-67.1	172.5	179.7	172.8	1.2	113.4	L186 H187 T188 G209	L186-R207 HydrophobicContact CB-CG 4.45Å; H187-R207 CarbonylContact O-C 3.51Å; H187-R207 WeakPolarHBondContact O-CA 3.34Å; T188-R207 PolarHBondContact OG1-N 3.39Å; R207-G209 PolarHBondContact O-N 3.2Å; R207-G209 VanDerWaalsContact O-N 3.1Å
208	Q	84	Confident	85.7	Confident	28 Å²	28	66.5 Å²	66.5	13%	0.131	34%	0.34	C	S	.	.			trans	-63.4	-19.4	-173.2	-55.9	90.4	-23.1	0	0	113.5	H187 Y189 L202 G204 L205 V206	H187-Q208 PolarHBondContact O-N 3.04Å; Y189-Q208 HydrophobicContact CD2-CB 4.31Å; Y189-Q208 PolarHBondContact O-NE2 3.44Å; Y189-Q208 VanDerWaalsContact O-NE2 3.09Å; L202-Q208 HydrophobicContact CB-CB 3.85Å; G204-Q208 WeakPolarHBondContact O-CG 3.46Å; G204-Q208 PolarHBondContact O-NE2 3.44Å; L205-Q208 VanDerWaalsContact C-NE2 3.27Å; L205-Q208 PolarHBondContact O-NE2 2.68Å; L205-Q208 VanDerWaalsContact O-NE2 3.13Å; V206-Q208 VanDerWaalsContact C-N 3.27Å; V206-Q208 PolarHBondContact O-N 2.74Å
209	G	89.6	Confident	86	Confident	3 Å²	3	64.6 Å²	64.6	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-164.8	179.9	0	0	0	0	0	113.8	H187 R207	H187-G209 PolarHBondContact N-O 2.68Å; R207-G209 PolarHBondContact O-N 3.2Å; R207-G209 VanDerWaalsContact O-N 3.1Å
210	L	91.3	Very high	86.1	Confident	9 Å²	9	58.6 Å²	58.6	5%	0.047	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	179.8	-63.1	174.3	0	0	0	109.7	F184 R185 L186 Y189 N218 C219 K221 E224	F184-L210 HydrophobicContact CB-CB 4.08Å; F184-L210 HydrophobicContact CB-CD1 4.14Å; F184-L210 HydrophobicContact CB-CG 4.48Å; F184-L210 HydrophobicContact CD1-CB 3.84Å; F184-L210 HydrophobicContact CG-CB 4.18Å; F184-L210 HydrophobicContact CG-CD1 4.37Å; R185-L210 CarbonylContact O-C 3.55Å; R185-L210 VanDerWaalsContact O-CA 3.29Å; R185-L210 WeakPolarHBondContact O-CA 3.37Å; L186-L210 HydrophobicContact CD2-CD2 3.76Å; L186-L210 HydrophobicContact CG-CD2 4.01Å; Y189-L210 PolarHBondContact OH-O 2.91Å; Y189-L210 VanDerWaalsContact OH-O 3.13Å; L210-N218 CarbonylContact O-C 3.48Å; L210-N218 VanDerWaalsContact O-CA 3.31Å; L210-N218 WeakPolarHBondContact O-CA 3.49Å; L210-C219 PolarHBondContact N-O 3.42Å; L210-C219 PolarHBondContact O-N 2.89Å; L210-K221 HydrophobicContact CD1-CB 4.45Å; L210-E224 HydrophobicContact CD1-CB 3.92Å; L210-E224 HydrophobicContact CD1-CG 4.13Å; L210-E224 WeakPolarHBondContact CD1-OE2 3.3Å
211	Q	90.8	Very high	86.1	Confident	38 Å²	38	58.8 Å²	58.8	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.1	170.3	-172.9	167.4	56.3	0	0	110	F184 R185 H187 Y189 A213 Y217 N218	F184-Q211 WeakPolarHBondContact CA-O 3.06Å; R185-Q211 PolarHBondContact N-O 2.9Å; R185-Q211 PolarHBondContact O-N 3.31Å; H187-Q211 HydrophobicContact CB-CB 3.77Å; H187-Q211 PolarHBondContact CE1-OE1 3.33Å; H187-Q211 PolarHBondContact ND1-OE1 2.98Å; Y189-Q211 WeakPolarHBondContact OH-CB 3.41Å; Q211-A213 PolarHBondContact O-N 3.49Å; Q211-Y217 CarbonylContact C-O 3.6Å; Q211-Y217 WeakPolarHBondContact CA-O 3.24Å; Q211-N218 VanDerWaalsContact CG-OD1 3.23Å; Q211-N218 WeakPolarHBondContact CG-OD1 3.04Å; Q211-N218 PolarHBondContact NE2-OD1 2.93Å; Q211-N218 VanDerWaalsContact NE2-OD1 3.08Å
212	C	88.2	Confident	86.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121	168.4	-178.5	0	0	0	0	109.6	H182 T183 F184 D214 N216 Y217	H182-C212 HydrophobicContact CB-CB 4.16Å; H182-C212 PolarHBondContact ND1-SG 2.75Å; H182-C212 VanDerWaalsContact ND1-SG 3.4Å; T183-C212 PolarHBondContact N-SG 3.35Å; T183-C212 VanDerWaalsContact N-SG 3.44Å; T183-C212 WeakPolarHBondContact O-CA 3.48Å; F184-C212 HydrophobicContact CD1-CB 4.22Å; F184-C212 HydrophobicContact CE1-CB 4.02Å; C212-D214 PolarHBondContact O-N 3.29Å; C212-D214 PolarHBondContact SG-N 3.45Å; C212-D214 VanDerWaalsContact SG-N 3.44Å; C212-N216 WeakPolarHBondContact O-CA 3.09Å; C212-N216 PolarHBondContact O-N 3.48Å; C212-Y217 PolarHBondContact N-O 3.37Å
213	A	83.1	Confident	86.2	Confident	48 Å²	48	62.6 Å²	62.6	40%	0.397	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	177.9	0	0	0	0	0	113.8	T183 Q211	T183-A213 PolarHBondContact O-N 3.44Å; Q211-A213 PolarHBondContact O-N 3.49Å
214	D	81.7	Confident	86.5	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.203	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-26	-174.4	-51.2	-57.9	0	0	0	113.5	K122 T183 C212 G233	K122-D214 IonicContact NZ-OD1 2.71Å; K122-D214 PolarHBondContact NZ-OD1 3.46Å; K122-D214 IonicContact NZ-OD2 3.56Å; K122-D214 PolarHBondContact NZ-OD2 3.24Å; T183-D214 VanDerWaalsContact CB-OD2 3.25Å; T183-D214 WeakPolarHBondContact CB-OD2 3.4Å; T183-D214 PolarHBondContact OG1-OD2 3.21Å; C212-D214 PolarHBondContact O-N 3.29Å; C212-D214 PolarHBondContact SG-N 3.45Å; C212-D214 VanDerWaalsContact SG-N 3.44Å; D214-G233 CarbonylContact O-C 3.58Å; D214-G233 VanDerWaalsContact O-C 3.25Å; D214-G233 WeakPolarHBondContact O-CA 3.29Å
215	C	84.2	Confident	86.7	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.047	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	8.9	-175	68.6	0	0	0	0	114.7	H182 Y217 C231 T234	H182-C215 PolarHBondContact CE1-SG 3.15Å; H182-C215 PolarHBondContact ND1-SG 3.2Å; C215-Y217 PolarHBondContact O-N 2.88Å; C215-Y217 VanDerWaalsContact O-N 3.09Å; C215-C231 VanDerWaalsContact SG-SG 3.68Å; C215-T234 WeakPolarHBondContact CA-O 3.29Å; C215-T234 WeakPolarHBondContact CB-O 3.24Å
216	N	87.1	Confident	87.1	Confident	64 Å²	64	61.2 Å²	61.2	34%	0.342	29%	0.289	S	S	.	.			trans	59.1	16.8	-178.7	-63.8	-20.8	0	0	0	116	C212 N218 I235	C212-N216 WeakPolarHBondContact O-CA 3.09Å; C212-N216 PolarHBondContact O-N 3.48Å; N216-N218 PolarHBondContact O-N 3.03Å; N216-N218 VanDerWaalsContact O-N 3.15Å; N216-N218 PolarHBondContact O-ND2 2.93Å; N216-N218 PolarHBondContact O-OD1 2.94Å; N216-I235 WeakPolarHBondContact ND2-CG2 3.28Å
217	Y	91.6	Very high	87.2	Confident	54 Å²	54	56.9 Å²	56.9	21%	0.212	26%	0.262	C	S	.	.			trans	-60.3	117.9	173	-164.6	-80.3	0	0	0	110.7	F184 H196 Y197 Q211 C212 C215 C219 V227	F184-Y217 HydrophobicContact CE1-CD1 4.11Å; F184-Y217 WeakPolarHBondContact CE1-O 3.45Å; F184-Y217 HydrophobicContact CZ-CD1 4.08Å; H196-Y217 HydrophobicContact CB-CD1 4.17Å; H196-Y217 HydrophobicContact CB-CD2 4.15Å; H196-Y217 HydrophobicContact CB-CE1 3.61Å; H196-Y217 HydrophobicContact CB-CE2 3.6Å; H196-Y217 HydrophobicContact CB-CG 4.42Å; H196-Y217 WeakPolarHBondContact CB-OH 3.37Å; Y197-Y217 PolarHBondContact N-OH 3.28Å; Q211-Y217 CarbonylContact C-O 3.6Å; Q211-Y217 WeakPolarHBondContact CA-O 3.24Å; C212-Y217 PolarHBondContact N-O 3.37Å; C215-Y217 PolarHBondContact O-N 2.88Å; C215-Y217 VanDerWaalsContact O-N 3.09Å; Y217-C219 HydrophobicContact CD1-CB 4.41Å; Y217-C219 HydrophobicContact CE1-CB 4.17Å; Y217-V227 HydrophobicContact CD1-CG1 4.27Å; Y217-V227 HydrophobicContact CE1-CG1 3.73Å; Y217-V227 HydrophobicContact CE1-CG2 4.01Å
218	N	92.4	Very high	87.1	Confident	19 Å²	19	52.7 Å²	52.7	10%	0.102	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.2	-178.6	-57.3	-44	0	0	0	111.3	Y189 T193 H196 L202 L210 Q211 N216	Y189-N218 HydrophobicContact CE1-CB 4.32Å; Y189-N218 VanDerWaalsContact CE1-OD1 3.27Å; Y189-N218 WeakPolarHBondContact CE1-OD1 3.36Å; Y189-N218 WeakPolarHBondContact OH-CB 3.44Å; Y189-N218 VanDerWaalsContact OH-CG 3.25Å; Y189-N218 PolarHBondContact OH-OD1 3.38Å; T193-N218 HydrophobicContact CG2-CB 3.95Å; T193-N218 WeakPolarHBondContact CG2-ND2 3.4Å; H196-N218 PolarHBondContact CE1-N 2.74Å; H196-N218 PolarHBondContact N-O 3.32Å; H196-N218 PolarHBondContact ND1-N 2.88Å; H196-N218 PolarHBondContact ND1-O 3.22Å; L202-N218 HydrophobicContact CD1-CB 4.33Å; L210-N218 CarbonylContact O-C 3.48Å; L210-N218 VanDerWaalsContact O-CA 3.31Å; L210-N218 WeakPolarHBondContact O-CA 3.49Å; Q211-N218 VanDerWaalsContact CG-OD1 3.23Å; Q211-N218 WeakPolarHBondContact CG-OD1 3.04Å; Q211-N218 PolarHBondContact NE2-OD1 2.93Å; Q211-N218 VanDerWaalsContact NE2-OD1 3.08Å; N216-N218 PolarHBondContact O-N 3.03Å; N216-N218 VanDerWaalsContact O-N 3.15Å; N216-N218 PolarHBondContact O-ND2 2.93Å; N216-N218 PolarHBondContact O-OD1 2.94Å
219	C	92.5	Very high	86.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.7	175.7	70.7	0	0	0	0	113.6	F184 C195 L210 Y217 C223 V227	F184-C219 VanDerWaalsContact CE1-SG 3.54Å; C195-C219 VanDerWaalsContact SG-CA 3.55Å; L210-C219 PolarHBondContact N-O 3.42Å; L210-C219 PolarHBondContact O-N 2.89Å; Y217-C219 HydrophobicContact CD1-CB 4.41Å; Y217-C219 HydrophobicContact CE1-CB 4.17Å; C219-C223 HydrophobicContact CB-CB 4.3Å; C219-V227 HydrophobicContact CB-CG2 4.14Å
220	H	90.5	Very high	86.4	Confident	26 Å²	26	60.7 Å²	60.7	12%	0.12	30%	0.3	C	S	.	.			trans	-69.9	152.2	170.2	-59.2	98.1	0	0	0	110.1	C195 C198 K200 L201 L202 K222 C223 E224	C195-H220 WeakPolarHBondContact CB-CE1 3.29Å; C195-H220 VanDerWaalsContact CB-ND1 3.27Å; C195-H220 WeakPolarHBondContact CB-ND1 3.42Å; C198-H220 PolarHBondContact SG-CE1 3.47Å; C198-H220 PolarHBondContact SG-ND1 3.22Å; K200-H220 PolarHBondContact O-CE1 3.44Å; L201-H220 PolarHBondContact O-NE2 3.37Å; L202-H220 HydrophobicContact CD2-CB 4.29Å; L202-H220 WeakPolarHBondContact CD2-CD2 3.44Å; H220-K222 HydrophobicContact CB-CG 3.91Å; H220-K222 PolarHBondContact O-N 2.93Å; H220-C223 HydrophobicContact CB-CB 4.17Å; H220-C223 WeakPolarHBondContact O-CA 3.27Å; H220-C223 WeakPolarHBondContact O-CB 3.43Å; H220-C223 PolarHBondContact O-N 2.86Å; H220-E224 PolarHBondContact O-N 3.46Å
221	K	88.6	Confident	85.9	Confident	153 Å²	153	60.3 Å²	60.3	67%	0.665	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-52.2	-41.9	171.4	-169.9	177.2	-179.8	-176.6	0	112.8	L210 C223 E224	L210-K221 HydrophobicContact CD1-CB 4.45Å; K221-C223 VanDerWaalsContact C-N 3.28Å; K221-C223 PolarHBondContact O-N 2.88Å; K221-E224 WeakPolarHBondContact O-CB 3.28Å; K221-E224 PolarHBondContact O-N 3.25Å
222	K	89	Confident	85.2	Confident	157 Å²	157	61.4 Å²	61.4	68%	0.683	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-69.8	-20.4	175.8	66.7	178.6	178.8	-178.4	0	114.7	H220	H220-K222 HydrophobicContact CB-CG 3.91Å; H220-K222 PolarHBondContact O-N 2.93Å
223	C	88.3	Confident	84.4	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.047	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-85.4	-17.3	179.7	-68.2	0	0	0	0	112.1	Y197 C219 H220 K221 Q225 Y226 V227	Y197-C223 HydrophobicContact CD1-CB 3.95Å; Y197-C223 HydrophobicContact CG-CB 4.48Å; C219-C223 HydrophobicContact CB-CB 4.3Å; H220-C223 HydrophobicContact CB-CB 4.17Å; H220-C223 WeakPolarHBondContact O-CA 3.27Å; H220-C223 WeakPolarHBondContact O-CB 3.43Å; H220-C223 PolarHBondContact O-N 2.86Å; K221-C223 VanDerWaalsContact C-N 3.28Å; K221-C223 PolarHBondContact O-N 2.88Å; C223-Q225 VanDerWaalsContact C-N 3.3Å; C223-Q225 PolarHBondContact O-N 2.96Å; C223-Y226 PolarHBondContact O-N 2.81Å; C223-V227 WeakPolarHBondContact O-CG2 3.38Å; C223-V227 PolarHBondContact O-N 2.76Å
224	E	88	Confident	83.4	Confident	86 Å²	86	64.9 Å²	64.9	40%	0.402	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-48.8	-47.7	-174.6	-176.9	174.9	-166.8	0	0	112.9	F184 L210 H220 K221 Y226 V227	F184-E224 HydrophobicContact CD2-CG 3.91Å; F184-E224 HydrophobicContact CE2-CG 4.35Å; L210-E224 HydrophobicContact CD1-CB 3.92Å; L210-E224 HydrophobicContact CD1-CG 4.13Å; L210-E224 WeakPolarHBondContact CD1-OE2 3.3Å; H220-E224 PolarHBondContact O-N 3.46Å; K221-E224 WeakPolarHBondContact O-CB 3.28Å; K221-E224 PolarHBondContact O-N 3.25Å; E224-Y226 PolarHBondContact O-N 3.33Å; E224-Y226 VanDerWaalsContact O-N 3.16Å; E224-V227 PolarHBondContact O-N 2.76Å
225	Q	82.6	Confident	81.8	Confident	148 Å²	148	69 Å²	69	69%	0.692	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.5	-17.4	-178.7	67.7	-175.3	-3	0	0	114.8	C223	C223-Q225 VanDerWaalsContact C-N 3.3Å; C223-Q225 PolarHBondContact O-N 2.96Å
226	Y	83.4	Confident	79.5	Confident	132 Å²	132	71.6 Å²	71.6	52%	0.518	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-102.9	-8.5	-179	-53.7	-71.6	0	0	0	113.1	Y197 C223 E224	Y197-Y226 HydrophobicContact CE1-CD2 4.33Å; Y197-Y226 HydrophobicContact CE1-CG 4.2Å; Y197-Y226 VanDerWaalsContact CE2-O 3.3Å; Y197-Y226 WeakPolarHBondContact CE2-O 3.09Å; Y197-Y226 WeakPolarHBondContact OH-CB 3.11Å; C223-Y226 PolarHBondContact O-N 2.81Å; E224-Y226 PolarHBondContact O-N 3.33Å; E224-Y226 VanDerWaalsContact O-N 3.16Å
227	V	83.1	Confident	76.7	Confident	9 Å²	9	76.9 Å²	76.9	6%	0.055	39%	0.394	C	S	.	.	S	Bend	trans	-71.2	131.4	178.1	-178.7	0	0	0	0	109.3	F184 Y217 C219 C223 E224	F184-V227 HydrophobicContact CE2-CB 4.45Å; F184-V227 HydrophobicContact CE2-CG1 4.48Å; F184-V227 HydrophobicContact CZ-CB 4.4Å; F184-V227 HydrophobicContact CZ-CG1 4.11Å; F184-V227 HydrophobicContact CZ-CG2 4.32Å; Y217-V227 HydrophobicContact CD1-CG1 4.27Å; Y217-V227 HydrophobicContact CE1-CG1 3.73Å; Y217-V227 HydrophobicContact CE1-CG2 4.01Å; C219-V227 HydrophobicContact CB-CG2 4.14Å; C223-V227 WeakPolarHBondContact O-CG2 3.38Å; C223-V227 PolarHBondContact O-N 2.76Å; E224-V227 PolarHBondContact O-N 2.76Å
228	P	78.5	Confident	73.7	Confident	81 Å²	81	78.6 Å²	78.6	53%	0.526	41%	0.411	S	S	.	.			trans	-57.4	140.5	175.2	-24.7	34	0	0	0	112.5	H182 D230	H182-P228 PolarHBondContact CD2-O 3.27Å; P228-D230 PolarHBondContact O-N 2.99Å
229	N	79	Confident	70.7	Confident	89 Å²	89	82.8 Å²	82.8	48%	0.476	45%	0.449	S	S	.	.	S	Bend	trans	-79.1	52.5	176.3	-72.6	-41.6	0	0	0	112.3	K179 V180 P181	K179-N229 CarbonylContact C-O 3.54Å; K179-N229 WeakPolarHBondContact CB-O 3.29Å; V180-N229 CarbonylContact C-O 3.56Å; V180-N229 VanDerWaalsContact C-O 3.31Å; V180-N229 PolarHBondContact N-O 3.41Å; V180-N229 CarbonylContact O-C 3.44Å; V180-N229 VanDerWaalsContact O-C 3.27Å; V180-N229 VanDerWaalsContact O-O 3.04Å; P181-N229 HydrophobicContact CB-CB 4.33Å
230	D	80.2	Confident	67.6	Low	109 Å²	109	87.3 Å²	87.3	58%	0.583	48%	0.481	S	S	*	.			trans	-131.1	63.7	-175.2	-149.8	-0.3	0	0	0	112.1	V180 P228 S232	V180-D230 PolarHBondContact O-N 2.99Å; P228-D230 PolarHBondContact O-N 2.99Å; D230-S232 PolarHBondContact O-N 3.5Å
231	C	81.6	Confident	64.6	Low	2 Å²	2	90 Å²	90	1%	0.014	51%	0.508	C	S	.	.			trans	-74.3	118.2	179.3	-177.6	0	0	0	0	110.5	R126 V180 H182 C215 G233	R126-C231 PolarHBondContact NH2-O 2.94Å; V180-C231 WeakPolarHBondContact O-CB 3.4Å; V180-C231 PolarHBondContact O-N 3.45Å; H182-C231 HydrophobicContact CB-CB 4.47Å; C215-C231 VanDerWaalsContact SG-SG 3.68Å; C231-G233 VanDerWaalsContact C-N 3.29Å; C231-G233 PolarHBondContact O-N 3.15Å
232	S	76.4	Confident	61.6	Low	61 Å²	61	91.3 Å²	91.3	43%	0.427	52%	0.52	S	S	.	.			trans	-63	-33.6	173.5	57	0	0	0	0	112.9	R126 D230 T234	R126-S232 VanDerWaalsContact NH2-C 3.25Å; R126-S232 PolarHBondContact NH2-O 3.42Å; R126-S232 VanDerWaalsContact NH2-O 3.15Å; D230-S232 PolarHBondContact O-N 3.5Å; S232-T234 PolarHBondContact O-N 3.43Å
233	G	69.8	Low	58.6	Low	29 Å²	29	87.4 Å²	87.4	30%	0.299	52%	0.518	S	S	.	.			trans	67.1	6.2	-178.9	0	0	0	0	0	115.4	R126 D214 C231	R126-G233 VanDerWaalsContact NH2-CA 3.34Å; D214-G233 CarbonylContact O-C 3.58Å; D214-G233 VanDerWaalsContact O-C 3.25Å; D214-G233 WeakPolarHBondContact O-CA 3.29Å; C231-G233 VanDerWaalsContact C-N 3.29Å; C231-G233 PolarHBondContact O-N 3.15Å
234	T	63.3	Low	55.4	Low	92 Å²	92	95.5 Å²	95.5	56%	0.564	56%	0.559	S	S	*	*	S	Bend	trans	-88.8	137	160.9	49.2	0	0	0	0	107.3	C215 S232 S236	C215-T234 WeakPolarHBondContact CA-O 3.29Å; C215-T234 WeakPolarHBondContact CB-O 3.24Å; S232-T234 PolarHBondContact O-N 3.43Å; T234-S236 VanDerWaalsContact C-N 3.28Å; T234-S236 PolarHBondContact O-N 3.28Å
235	I	47.5	Very low	52.2	Low	124 Å²	124	95.3 Å²	95.3	64%	0.636	58%	0.581	S	S	*	*			trans	-60.5	103.9	163.9	-61.6	167	0	0	0	104.3	N216 E237	N216-I235 WeakPolarHBondContact ND2-CG2 3.28Å; I235-E237 PolarHBondContact O-N 3.37Å; I235-E237 VanDerWaalsContact O-N 3.12Å
236	S	36.6	Very low	49.3	Very low	62 Å²	62	91.9 Å²	91.9	43%	0.434	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-60.6	120.5	173.8	-48.6	0	0	0	0	105.1	T234	T234-S236 VanDerWaalsContact C-N 3.28Å; T234-S236 PolarHBondContact O-N 3.28Å
237	E	27.5	Very low	46.3	Very low	174 Å²	174	95.3 Å²	95.3	81%	0.813	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-48.9	130.5	167.2	-73.2	-166.9	154.9	0	0	106.9	I235 A239	I235-E237 PolarHBondContact O-N 3.37Å; I235-E237 VanDerWaalsContact O-N 3.12Å; E237-A239 PolarHBondContact O-N 2.87Å; E237-A239 VanDerWaalsContact O-N 3.11Å
238	P	29.6	Very low	43.5	Very low	90 Å²	90	102.7 Å²	102.7	58%	0.584	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.6	-170.6	21.8	-30.7	0	0	0	108.1	S240 A241	P238-S240 PolarHBondContact O-N 3.2Å; P238-A241 PolarHBondContact O-N 3.44Å
239	A	28.1	Very low	40.7	Very low	107 Å²	107	106.6 Å²	106.6	88%	0.884	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	15.3	173.2	0	0	0	0	0	113.8	E237	E237-A239 PolarHBondContact O-N 2.87Å; E237-A239 VanDerWaalsContact O-N 3.11Å
240	S	28.8	Very low	38.1	Very low	96 Å²	96	110.9 Å²	110.9	67%	0.671	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-3.8	171.3	-48.9	0	0	0	0	113.1	P238 L242	P238-S240 PolarHBondContact O-N 3.2Å; S240-L242 VanDerWaalsContact C-N 3.33Å
241	A	26.8	Very low	35.4	Very low	83 Å²	83	111.7 Å²	111.7	69%	0.686	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.3	178.4	0	0	0	0	0	114.7	P238	P238-A241 PolarHBondContact O-N 3.44Å
242	L	25.3	Very low	32.6	Very low	179 Å²	179	119.1 Å²	119.1	94%	0.937	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	11.8	171	-75.6	172.9	0	0	0	113.8	S240	S240-L242 VanDerWaalsContact C-N 3.33Å
243	A	25.6	Very low	30.2	Very low	76 Å²	76	125.8 Å²	125.8	63%	0.628	74%	0.738	S	S	*	*	S	Bend	trans	-117	96.1	173.7	0	0	0	0	0	110.4
244	L	22.6	Very low	28.1	Very low	176 Å²	176	130.3 Å²	130.3	92%	0.921	76%	0.76	S	S	*	*			trans	55.5	125.1	155.1	-92.1	152.8	0	0	0	119.1
245	G	20.2	Very low	26.4	Very low	83 Å²	83	130.8 Å²	130.8	86%	0.856	77%	0.767	S	S	*	*			trans	-54.8	146.2	177.1	0	0	0	0	0	114.6
246	G	21.8	Very low	25.6	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	78%	0.778	S	S	*	*			trans	-169.9	104.2	169.8	0	0	0	0	0	109.3
247	K	20.8	Very low	25.3	Very low	205 Å²	205	138 Å²	138	89%	0.891	79%	0.789	S	S	*	*			trans	-54.1	138.7	160.5	-69.2	172.9	174.8	176.3	0	108.2
248	I	23.2	Very low	25.5	Very low	163 Å²	163	136.2 Å²	136.2	84%	0.836	78%	0.784	S	S	*	*			trans	175.9	148.3	136.2	-87.2	151.7	0	0	0	111
249	Q	20.8	Very low	25.4	Very low	164 Å²	164	141.5 Å²	141.5	77%	0.766	79%	0.794	S	S	*	*			trans	-66.4	158.4	-170.7	-64.8	150.6	-38.7	0	0	116.2
250	Q	22.7	Very low	25.4	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	78%	0.78	S	S	*	*			trans	34.5	119.7	144	-69	176	-14.8	0	0	119.7
251	T	23.5	Very low	25.4	Very low	125 Å²	125	146.6 Å²	146.6	77%	0.767	78%	0.781	S	S	*	*				-167.8	116.5	128.1	19.4	0	0	0	0	111.8
252	L	23	Very low	25.4	Very low	159 Å²	159	147.7 Å²	147.7	83%	0.832	78%	0.775	S	S	*	*			trans	29.9	99.3	141.9	-63.9	157.4	0	0	0	118.5
253	F	26.7	Very low	25.5	Very low	200 Å²	200	148.5 Å²	148.5	88%	0.877	77%	0.765	S	S	*	*			trans	-112.5	119.5	146.5	-92.6	-84.6	0	0	0	109.6
254	T	25.3	Very low	25.5	Very low	124 Å²	124	151.4 Å²	151.4	76%	0.761	77%	0.768	S	S	*	*			trans	-75.7	145.8	-175.2	47.7	0	0	0	0	113.6
255	S	27	Very low	26	Very low	102 Å²	102	148.3 Å²	148.3	71%	0.713	76%	0.756	S	S	*	*	S	Bend	trans	87.8	110	140.7	-149.8	0	0	0	0	120.6	T257	S255-T257 PolarHBondContact O-N 3.3Å
256	R	31.7	Very low	26.3	Very low	230 Å²	230	152.4 Å²	152.4	87%	0.868	75%	0.75	S	S	*	*	S	Bend	trans	76.6	-16.8	145.6	-102.1	179.1	176.8	-175.7	-1.5	123.1
257	T	30.8	Very low	26.5	Very low	108 Å²	108	152.1 Å²	152.1	66%	0.663	75%	0.747	S	S	*	*	S	Bend	trans	-93	-25	180	-43.9	0	0	0	0	113.8	S255	S255-T257 PolarHBondContact O-N 3.3Å
258	L	30.1	Very low	26.7	Very low	137 Å²	137	149.9 Å²	149.9	72%	0.717	74%	0.744	S	S	*	*	H	α-helix	trans	-87.4	-16.6	-178.2	-75.7	170.8	0	0	0	114.6	F260 Y261 L262	L258-F260 PolarHBondContact O-N 2.9Å; L258-Y261 PolarHBondContact O-N 3.14Å; L258-L262 WeakPolarHBondContact O-CB 3.3Å; L258-L262 PolarHBondContact O-N 3.43Å
259	Y	27.6	Very low	26.7	Very low	201 Å²	201	149.6 Å²	149.6	79%	0.788	74%	0.744	S	S	*	*	H	α-helix	trans	-66.1	-30.9	175.3	-136.1	-91.8	0	0	0	111.7	W263	Y259-W263 VanDerWaalsContact O-CB 3.3Å; Y259-W263 WeakPolarHBondContact O-CB 3.06Å; Y259-W263 PolarHBondContact O-N 3.36Å
260	F	29.6	Very low	26.8	Very low	133 Å²	133	154 Å²	154	58%	0.583	75%	0.754	S	S	*	*	H	α-helix	trans	-72.9	-38.5	179.3	-160.4	-97.7	0	0	0	112.8	L258	L258-F260 PolarHBondContact O-N 2.9Å
261	Y	27.4	Very low	26.7	Very low	176 Å²	176	150.6 Å²	150.6	69%	0.69	75%	0.746	S	S	*	*	H	α-helix	trans	-78.7	-33	178.5	-84.8	-79	0	0	0	113	L258 T265	L258-Y261 PolarHBondContact O-N 3.14Å; Y261-T265 PolarHBondContact O-OG1 3.02Å
262	L	28	Very low	26.7	Very low	107 Å²	107	151.4 Å²	151.4	56%	0.56	75%	0.745	S	S	*	*	H	α-helix	trans	-75.7	-28.3	178.4	-137.6	84.7	0	0	0	112.9	L258	L258-L262 WeakPolarHBondContact O-CB 3.3Å; L258-L262 PolarHBondContact O-N 3.43Å
263	W	26.9	Very low	26.7	Very low	196 Å²	196	151.7 Å²	151.7	74%	0.742	75%	0.748	S	S	*	*	H	α-helix	trans	-70.1	-34.7	177.7	-171.7	57.8	0	0	0	112.4	Y259 T265	Y259-W263 VanDerWaalsContact O-CB 3.3Å; Y259-W263 WeakPolarHBondContact O-CB 3.06Å; Y259-W263 PolarHBondContact O-N 3.36Å; W263-T265 PolarHBondContact O-N 3.37Å
264	M	26.8	Very low	26.7	Very low	137 Å²	137	147.4 Å²	147.4	68%	0.675	74%	0.74	S	S	*	*	H	α-helix	trans	-75.5	-17.9	-178.7	-72.8	-102.8	-82.2	0	0	114.3
265	T	32.3	Very low	26.6	Very low	110 Å²	110	147.9 Å²	147.9	68%	0.675	75%	0.747	S	S	*	*	H	α-helix	trans	-110.9	0.8	-177	60.1	0	0	0	0	115	Y261 W263	Y261-T265 PolarHBondContact O-OG1 3.02Å; W263-T265 PolarHBondContact O-N 3.37Å
266	K	25.8	Very low	26.2	Very low	169 Å²	169	153.4 Å²	153.4	74%	0.735	75%	0.752	S	S	*	*			trans	-107.7	20.8	176.9	-82.5	-165.8	172.2	-171.4	0	115.2
267	G	25.8	Very low	25.8	Very low	69 Å²	69	149.3 Å²	149.3	71%	0.711	74%	0.743	S	S	*	*	S	Bend	trans	-82.5	-4.2	173.8	0	0	0	0	0	116
268	L	26.3	Very low	25.6	Very low	159 Å²	159	153.5 Å²	153.5	83%	0.832	75%	0.754	S	S	*	*	S	Bend	trans	-133.2	79.2	-178.8	-72.7	165.3	0	0	0	109.3
269	N	23	Very low	25.1	Very low	157 Å²	157	155.9 Å²	155.9	84%	0.84	76%	0.762	S	S	*	*			trans	-178.2	75.8	152.8	-89.8	-9.8	0	0	0	106.2
270	R	22.8	Very low	24.8	Very low	255 Å²	255	151.6 Å²	151.6	96%	0.962	76%	0.761	S	S	*	*			trans	-102.3	95.2	158.2	-82.6	-169.9	176.6	-165.2	-1.7	106.5
271	T	20.4	Very low	24.6	Very low	109 Å²	109	150.3 Å²	150.3	67%	0.669	77%	0.769	S	S	*	*			trans	-75.7	155.6	153.9	52.3	0	0	0	0	108.5
272	D	22.6	Very low	24.3	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	77%	0.773	S	S	*	*			trans	81.2	95.5	158.8	-47.1	-42.9	0	0	0	117.8
273	D	23.5	Very low	24.2	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	79%	0.789	S	S	*	*				-146.1	136.8	124.1	-114.3	-27.7	0	0	0	110.6
274	P	27.5	Very low	24	Very low	110 Å²	110	150.4 Å²	150.4	71%	0.714	79%	0.793	S	S	*	*			trans	-103.4	125.1	-165.8	35.7	-26.6	0	0	0	112.5
275	C	22.6	Very low	23.7	Very low	134 Å²	134	152 Å²	152	91%	0.905	80%	0.799	S	S	*	*			trans	-145.5	97.4	163.8	-89.9	0	0	0	0	111.9
276	R	19.4	Very low	23.4	Very low	218 Å²	218	154.9 Å²	154.9	82%	0.823	81%	0.809	S	S	*	*			trans	26.2	129.6	139.4	-93.7	-178	140	169.1	-2.2	121.2
277	H	22.5	Very low	23.1	Very low	145 Å²	145	151.4 Å²	151.4	67%	0.671	81%	0.805	S	S	*	*			trans	63.3	109.3	139.8	-64	-59.6	0	0	0	118.4
278	Q	27.1	Very low	22.9	Very low	195 Å²	195	153.2 Å²	153.2	91%	0.911	81%	0.807	S	S	*	*				-174.6	141.9	93.5	-96.2	174.8	-2.3	0	0	110.7
279	Q	19.4	Very low	22.8	Very low	188 Å²	188	156 Å²	156	88%	0.879	81%	0.813	S	S	*	*			trans	-69.2	140.3	177	-65.1	157.8	-40.9	0	0	110.9
280	S	21.7	Very low	22.9	Very low	111 Å²	111	152.3 Å²	152.3	78%	0.776	80%	0.8	S	S	*	*			trans	-178.8	142.3	132.2	41.3	0	0	0	0	112.7
281	S	24.2	Very low	22.9	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	80%	0.797	S	S	*	*			trans	64.4	90.2	163.2	55.2	0	0	0	0	119.5
282	S	20.9	Very low	23.1	Very low	110 Å²	110	145 Å²	145	77%	0.769	80%	0.797	S	S	*	*				1.9	125.7	127.8	53.1	0	0	0	0	118.4
283	E	26	Very low	23.3	Very low	195 Å²	195	143.9 Å²	143.9	91%	0.911	80%	0.795	S	S	*	*				-162.5	144.1	119.8	-105.7	172.2	-161.4	0	0	110.5
284	Q	24.2	Very low	23.3	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	80%	0.797	S	S	*	*			trans	-80.9	144.4	-152.1	-71.6	161.3	-52.4	0	0	115.5
285	E	20	Very low	23.2	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	80%	0.798	S	S	*	*			trans	21.5	110.4	132.6	-59.2	-177.6	160.4	0	0	119.2
286	I	25.8	Very low	23.4	Very low	172 Å²	172	144.1 Å²	144.1	88%	0.882	79%	0.79	S	S	*	*			trans	-133.5	84.9	131.9	-57	-179.4	0	0	0	107.5
287	S	19.4	Very low	23.8	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	79%	0.785	S	S	*	*			trans	-83.4	148.4	157.5	60	0	0	0	0	109.6
288	S	22.2	Very low	24.1	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	79%	0.792	S	S	*	*			trans	84.8	85.7	169.4	78	0	0	0	0	116.9
289	F	23.3	Very low	24.1	Very low	217 Å²	217	139.3 Å²	139.3	95%	0.952	79%	0.79	S	S	*	*			trans	-149.6	131.8	133.1	-133.9	-96.5	0	0	0	111.3
290	S	24.6	Very low	24.6	Very low	80 Å²	80	140.1 Å²	140.1	56%	0.559	79%	0.79	S	S	*	*			trans	81.4	74.1	162.6	-160.9	0	0	0	0	118.7	A292	S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 2.9Å; S290-A292 PolarHBondContact OG-N 3.5Å
291	S	23.9	Very low	25	Very low	130 Å²	130	138.6 Å²	138.6	91%	0.909	78%	0.78	S	S	*	*	S	Bend	trans	-78.8	75.3	133.1	55.9	0	0	0	0	109.8
292	A	25.3	Very low	25.3	Very low	81 Å²	81	139.6 Å²	139.6	67%	0.669	78%	0.784	S	S	*	*			trans	-171.2	73.6	164.8	0	0	0	0	0	111.4	S290	S290-A292 VanDerWaalsContact C-N 3.28Å; S290-A292 PolarHBondContact O-N 2.9Å; S290-A292 PolarHBondContact OG-N 3.5Å
293	V	27.1	Very low	25.7	Very low	116 Å²	116	140 Å²	140	70%	0.703	78%	0.778	S	S	*	*			trans	-139.4	67.7	158.1	-166.8	0	0	0	0	109.3
294	E	23.4	Very low	25.9	Very low	201 Å²	201	137.8 Å²	137.8	94%	0.939	77%	0.77	S	S	*	*			trans	-83.1	129	150.3	-78.7	-172.5	155.1	0	0	108.3
295	G	25.2	Very low	25.9	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	77%	0.766	S	S	*	*			trans	84.8	60.7	153.8	0	0	0	0	0	118.1
296	I	25.1	Very low	26.3	Very low	143 Å²	143	133.7 Å²	133.7	73%	0.733	77%	0.765	S	S	*	*			trans	-102.3	107	146.4	-57.5	177.4	0	0	0	107.3	S298	I296-S298 PolarHBondContact O-N 3.49Å
297	P	27.7	Very low	26.4	Very low	113 Å²	113	130.5 Å²	130.5	73%	0.734	75%	0.748	S	S	*	*			trans	-63.1	108.7	165.9	-9.9	24.3	0	0	0	106.4	R299	P297-R299 PolarHBondContact O-N 3.44Å
298	S	29	Very low	26.7	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	73%	0.728	S	S	*	*			trans	-53.4	102.4	178.5	56.8	0	0	0	0	108.9	I296	I296-S298 PolarHBondContact O-N 3.49Å
299	R	27.9	Very low	26.9	Very low	230 Å²	230	129.2 Å²	129.2	87%	0.868	72%	0.719	S	S	*	*			trans	-55.9	136	173.4	-72.1	-178.5	174.1	179	-1.9	108.3	P297 S301	P297-R299 PolarHBondContact O-N 3.44Å; R299-S301 PolarHBondContact O-N 2.85Å
300	F	30.4	Very low	27	Very low	204 Å²	204	122.6 Å²	122.6	90%	0.895	70%	0.697	S	S	*	*			trans	-16	111.6	171.1	-58.2	-88.1	0	0	0	113.6
301	S	28.8	Very low	27	Very low	79 Å²	79	124.4 Å²	124.4	55%	0.552	70%	0.698	S	S	*	*			trans	-62.9	142.7	160.9	62.4	0	0	0	0	107.9	R299 N303	R299-S301 PolarHBondContact O-N 2.85Å; S301-N303 PolarHBondContact O-N 2.94Å
302	P	31	Very low	27.1	Very low	128 Å²	128	122.7 Å²	122.7	83%	0.831	68%	0.682	S	S	*	*	S	Bend	trans	-69.9	10.7	175.7	30.2	-34.1	0	0	0	112.5	I304	P302-I304 PolarHBondContact O-N 3.39Å
303	N	29.3	Very low	27.1	Very low	119 Å²	119	127 Å²	127	64%	0.636	69%	0.685	S	S	*	*	S	Bend	trans	-80.7	117	178.6	-62.9	7.5	0	0	0	108.2	S301 P305	S301-N303 PolarHBondContact O-N 2.94Å; N303-P305 WeakPolarHBondContact O-CD 3.48Å; N303-P305 VanDerWaalsContact O-N 3.09Å
304	I	29.8	Very low	26.9	Very low	147 Å²	147	129.1 Å²	129.1	75%	0.754	68%	0.68	S	S	*	*			trans	-50.5	119.9	167	-60.6	172.6	0	0	0	107.2	P302 L306	P302-I304 PolarHBondContact O-N 3.39Å; I304-L306 PolarHBondContact O-N 3.24Å
305	P	25.6	Very low	27.1	Very low	114 Å²	114	131 Å²	131	74%	0.74	68%	0.679	S	S	*	*			trans	-62.5	113.2	-179.2	21.3	-29.7	0	0	0	109.1	N303 M307	N303-P305 WeakPolarHBondContact O-CD 3.48Å; N303-P305 VanDerWaalsContact O-N 3.09Å; P305-M307 PolarHBondContact O-N 3.33Å
306	L	28.5	Very low	27.5	Very low	146 Å²	146	132.8 Å²	132.8	76%	0.764	68%	0.676	S	S	*	*			trans	-61.7	102.7	179.4	-63.1	169.4	0	0	0	109.2	I304	I304-L306 PolarHBondContact O-N 3.24Å
307	M	26.7	Very low	27.6	Very low	104 Å²	104	135.7 Å²	135.7	51%	0.512	68%	0.683	S	S	.	*			trans	-99	125.8	175.8	-167.9	178.2	74.6	0	0	109.3	Y97 P305 L309	Y97-M307 HydrophobicContact CE1-CE 4.01Å; Y97-M307 HydrophobicContact CE1-CG 4.13Å; Y97-M307 HydrophobicContact CE1-SD 3.9Å; P305-M307 PolarHBondContact O-N 3.33Å; M307-L309 PolarHBondContact O-N 3.1Å
308	R	26.9	Very low	27.9	Very low	68 Å²	68	132.8 Å²	132.8	26%	0.257	67%	0.669	S	S	.	*			trans	-73.4	111.3	179	-162.7	-177.2	-145.1	-174.3	7	110.3	Y97 G100 V310 Q471	Y97-R308 VanDerWaalsContact CE2-O 3.29Å; Y97-R308 WeakPolarHBondContact CE2-O 3.5Å; G100-R308 PolarHBondContact O-NH1 2.83Å; G100-R308 VanDerWaalsContact O-NH1 3.16Å; R308-V310 HydrophobicContact CG-CG2 4.23Å; R308-V310 PolarHBondContact O-N 2.88Å; R308-Q471 HydrophobicContact CG-CB 4.19Å
309	L	24.6	Very low	28.3	Very low	109 Å²	109	131.4 Å²	131.4	57%	0.571	66%	0.659	S	S	*	*			trans	-78	94.1	168.4	-83.4	157.7	0	0	0	109.5	M307 M311	M307-L309 PolarHBondContact O-N 3.1Å; L309-M311 PolarHBondContact O-N 3.2Å
310	V	25.7	Very low	29.4	Very low	78 Å²	78	125.6 Å²	125.6	47%	0.473	65%	0.645	S	S	.	*			trans	-80.5	107	167.5	-177.7	0	0	0	0	108.9	Y97 R308	Y97-V310 HydrophobicContact CD2-CB 4.17Å; Y97-V310 HydrophobicContact CD2-CG2 4.27Å; Y97-V310 HydrophobicContact CE2-CB 4.34Å; R308-V310 HydrophobicContact CG-CG2 4.23Å; R308-V310 PolarHBondContact O-N 2.88Å
311	M	25.8	Very low	30.9	Very low	118 Å²	118	122.9 Å²	122.9	58%	0.581	63%	0.633	S	S	*	*			trans	-94.1	118.2	166.1	-65.3	-161.8	74.3	0	0	109.9	L309 I474	L309-M311 PolarHBondContact O-N 3.2Å; M311-I474 HydrophobicContact CB-CD1 3.9Å; M311-I474 HydrophobicContact CG-CD1 3.83Å; M311-I474 HydrophobicContact SD-CD1 3.31Å; M311-I474 WeakPolarHBondContact SD-CD1 3.23Å
312	T	25.1	Very low	32.7	Very low	94 Å²	94	122.1 Å²	122.1	58%	0.577	62%	0.624	S	S	*	*			trans	-61.1	139.6	156.3	40.5	0	0	0	0	108.8	R314	T312-R314 PolarHBondContact O-N 3.37Å
313	K	24.8	Very low	34.1	Very low	170 Å²	170	120.8 Å²	120.8	74%	0.739	61%	0.61	S	S	*	*			trans	-56	74.9	162.5	-79	-174	177.6	179.7	0	109.5	R315 M466	K313-R315 PolarHBondContact O-N 3.19Å; K313-R315 VanDerWaalsContact O-N 3.12Å; K313-M466 HydrophobicContact CD-CE 4.5Å; K313-M466 VanDerWaalsContact CE-CE 3.5Å; K313-M466 HydrophobicContact CG-CE 4.2Å; K313-M466 HydrophobicContact CG-SD 4.25Å
314	R	24.8	Very low	35.8	Very low	161 Å²	161	118.9 Å²	118.9	61%	0.608	60%	0.597	S	S	*	*			trans	-77.9	100.3	172	-91.1	-176.7	178.3	173.2	1.9	105.4	T312 T316	T312-R314 PolarHBondContact O-N 3.37Å; R314-T316 PolarHBondContact O-N 3.26Å
315	R	27	Very low	38	Very low	241 Å²	241	117 Å²	117	91%	0.909	59%	0.585	S	S	*	*			trans	-53.7	97.5	154.3	-73.9	-178.7	173.3	-178	-1.7	106.3	K313 K317	K313-R315 PolarHBondContact O-N 3.19Å; K313-R315 VanDerWaalsContact O-N 3.12Å; R315-K317 PolarHBondContact O-N 3.19Å; R315-K317 VanDerWaalsContact O-N 3.09Å
316	T	33.1	Very low	40.6	Very low	107 Å²	107	112.5 Å²	112.5	66%	0.656	56%	0.559	S	S	*	*			trans	-56.5	116.9	160.3	34.8	0	0	0	0	104.9	R314 A318	R314-T316 PolarHBondContact O-N 3.26Å; T316-A318 PolarHBondContact O-N 3.22Å
317	K	26.7	Very low	42.9	Very low	204 Å²	204	109.7 Å²	109.7	89%	0.887	54%	0.539	S	S	*	.			trans	-53	114.5	176.8	-76	-172.7	176.6	-175.6	0	106.5	R315 C319	R315-K317 PolarHBondContact O-N 3.19Å; R315-K317 VanDerWaalsContact O-N 3.09Å; K317-C319 PolarHBondContact O-N 3.24Å; K317-C319 VanDerWaalsContact O-N 3.1Å
318	A	33.6	Very low	45.2	Very low	52 Å²	52	105.1 Å²	105.1	43%	0.43	52%	0.517	S	S	.	.			trans	-57.4	118.2	-177.8	0	0	0	0	0	107.9	T316 N320 K348	T316-A318 PolarHBondContact O-N 3.22Å; A318-N320 VanDerWaalsContact C-N 3.29Å; A318-N320 PolarHBondContact O-N 2.74Å; A318-K348 HydrophobicContact CB-CD 4.4Å
319	C	37.5	Very low	47.6	Very low	87 Å²	87	103.4 Å²	103.4	59%	0.588	51%	0.514	S	S	*	.			trans	-72.6	95.2	165.4	-171.1	0	0	0	0	105.7	K317 K321	K317-C319 PolarHBondContact O-N 3.24Å; K317-C319 VanDerWaalsContact O-N 3.1Å; C319-K321 PolarHBondContact O-N 2.97Å; C319-K321 VanDerWaalsContact SG-CB 3.56Å
320	N	52.8	Low	50.1	Low	108 Å²	108	98.5 Å²	98.5	58%	0.578	49%	0.488	S	S	*	.			trans	-73.3	28.7	174.6	-71.9	-11.3	0	0	0	111.7	A318 V322	A318-N320 VanDerWaalsContact C-N 3.29Å; A318-N320 PolarHBondContact O-N 2.74Å; N320-V322 PolarHBondContact O-N 3.34Å; N320-V322 VanDerWaalsContact O-N 3.11Å
321	K	61.6	Low	52.4	Low	147 Å²	147	95.7 Å²	95.7	64%	0.639	47%	0.47	S	S	*	.			trans	-63.7	117.6	178	-175.9	177.5	-178.7	-176.6	0	107.6	C319 L323 P347	C319-K321 PolarHBondContact O-N 2.97Å; C319-K321 VanDerWaalsContact SG-CB 3.56Å; K321-L323 PolarHBondContact O-N 2.87Å; K321-L323 VanDerWaalsContact O-N 3.14Å; K321-P347 WeakPolarHBondContact O-CD 3.42Å
322	V	65.7	Low	54.9	Low	62 Å²	62	90.8 Å²	90.8	38%	0.376	45%	0.447	S	S	.	.			trans	-62.9	116.1	172.1	178.2	0	0	0	0	107.1	N320 Q324 E325 C344 L345	N320-V322 PolarHBondContact O-N 3.34Å; N320-V322 VanDerWaalsContact O-N 3.11Å; V322-Q324 VanDerWaalsContact CG1-O 3.28Å; V322-Q324 WeakPolarHBondContact CG1-O 3.31Å; V322-E325 HydrophobicContact CG1-CB 3.99Å; V322-E325 HydrophobicContact CG1-CG 4.3Å; V322-C344 HydrophobicContact CG1-CB 4.02Å; V322-C344 HydrophobicContact CG2-CB 4.27Å; V322-L345 CarbonylContact C-O 3.54Å; V322-L345 WeakPolarHBondContact CA-O 3.2Å
323	L	61.2	Low	57.1	Low	101 Å²	101	89.2 Å²	89.2	53%	0.529	44%	0.444	S	S	.	.	S	Bend	trans	-78.6	-35.2	176.8	-61.5	179.4	0	0	0	110.2	K321 L345 P347	K321-L323 PolarHBondContact O-N 2.87Å; K321-L323 VanDerWaalsContact O-N 3.14Å; L323-L345 HydrophobicContact CB-CB 4.33Å; L323-L345 HydrophobicContact CB-CD2 4.16Å; L323-L345 HydrophobicContact CB-CG 4.15Å; L323-L345 HydrophobicContact CD1-CD2 4.42Å; L323-L345 HydrophobicContact CD1-CG 4.31Å; L323-L345 PolarHBondContact N-O 3.43Å; L323-P347 HydrophobicContact CD1-CG 4.1Å; L323-P347 HydrophobicContact CD2-CG 4.3Å; L323-P347 HydrophobicContact CG-CG 4.22Å
324	Q	63.7	Low	59.4	Low	78 Å²	78	90.1 Å²	90.1	36%	0.364	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	154.4	179.1	-168.9	158	-17.6	0	0	110.6	V322 W343 C344 L345	V322-Q324 VanDerWaalsContact CG1-O 3.28Å; V322-Q324 WeakPolarHBondContact CG1-O 3.31Å; Q324-W343 HydrophobicContact CG-CH2 4.26Å; Q324-C344 CarbonylContact O-C 3.52Å; Q324-C344 WeakPolarHBondContact O-CA 3.34Å; Q324-L345 HydrophobicContact CB-CB 4.1Å; Q324-L345 HydrophobicContact CB-CD2 4.49Å; Q324-L345 PolarHBondContact O-N 3Å
325	E	77.4	Confident	61.6	Low	107 Å²	107	85.9 Å²	85.9	50%	0.5	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.4	176.1	58.6	-170.9	178.2	0	0	112	V322 Y342 W343 C344	V322-E325 HydrophobicContact CG1-CB 3.99Å; V322-E325 HydrophobicContact CG1-CG 4.3Å; E325-Y342 HydrophobicContact CB-CE1 4.37Å; E325-Y342 VanDerWaalsContact CG-OH 3.24Å; E325-Y342 WeakPolarHBondContact CG-OH 3.38Å; E325-Y342 PolarHBondContact OE1-OH 3.29Å; E325-Y342 PolarHBondContact OE2-OH 3.36Å; E325-W343 CarbonylContact C-O 3.48Å; E325-W343 WeakPolarHBondContact CA-O 3.28Å; E325-W343 WeakPolarHBondContact CB-O 3.03Å; E325-C344 HydrophobicContact CB-CB 4.46Å
326	G	79.1	Confident	63.7	Low	20 Å²	20	83.1 Å²	83.1	21%	0.206	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-169.2	175.1	0	0	0	0	0	113.4	Y342 W343	G326-Y342 CarbonylContact O-C 3.58Å; G326-Y342 WeakPolarHBondContact O-CA 3.5Å; G326-Y342 WeakPolarHBondContact O-CD2 3.43Å; G326-W343 VanDerWaalsContact C-CD1 3.49Å; G326-W343 PolarHBondContact N-O 2.91Å; G326-W343 PolarHBondContact O-N 2.9Å; G326-W343 PolarHBondContact O-NE1 3.33Å
327	W	77.5	Confident	65.6	Low	87 Å²	87	83.5 Å²	83.5	33%	0.33	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.5	175.7	-71.6	95.4	0	0	0	111.2	R340 H341 Y342 D355 E356	W327-R340 VanDerWaalsContact CD1-NH2 3.31Å; W327-R340 HydrophobicContact CD2-CG 4.41Å; W327-R340 VanDerWaalsContact CD2-NE 3.31Å; W327-R340 HydrophobicContact CE3-CG 3.6Å; W327-R340 VanDerWaalsContact CE3-NE 3.32Å; W327-R340 HydrophobicContact CZ3-CG 4.09Å; W327-H341 VanDerWaalsContact CE3-C 3.43Å; W327-Y342 HydrophobicContact CD2-CD2 4.25Å; W327-Y342 HydrophobicContact CG-CD2 4.47Å; W327-D355 HydrophobicContact CH2-CB 4.03Å; W327-E356 HydrophobicContact CZ2-CG 3.87Å; W327-E356 PolarHBondContact NE1-OE1 2.63Å
328	A	75.8	Confident	67.7	Low	8 Å²	8	81.8 Å²	81.8	7%	0.066	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.1	170.5	0	0	0	0	0	111.2	F330 H341 V394	A328-F330 HydrophobicContact CB-CD2 4.14Å; A328-F330 HydrophobicContact CB-CE2 3.62Å; A328-F330 HydrophobicContact CB-CZ 4.21Å; A328-H341 PolarHBondContact N-O 3.38Å; A328-H341 PolarHBondContact O-N 3.08Å; A328-H341 VanDerWaalsContact O-O 3.11Å; A328-V394 HydrophobicContact CB-CG1 3.71Å
329	V	76.7	Confident	69.4	Low	32 Å²	32	87.2 Å²	87.2	19%	0.194	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.3	172.5	177.5	0	0	0	0	107.7	R338 R339 R340 V394 V395	V329-R338 HydrophobicContact CG1-CB 3.69Å; V329-R338 HydrophobicContact CG1-CG 4.15Å; V329-R339 WeakPolarHBondContact CA-O 3.3Å; V329-R340 HydrophobicContact CG2-CB 4.42Å; V329-V394 WeakPolarHBondContact O-CA 3.12Å; V329-V395 HydrophobicContact CB-CB 4.39Å; V329-V395 PolarHBondContact N-O 3.43Å; V329-V395 PolarHBondContact O-N 2.88Å; V329-V395 VanDerWaalsContact O-N 3.13Å
330	F	75.8	Confident	71.3	Confident	6 Å²	6	89.9 Å²	89.9	3%	0.026	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.3	175.8	-69.5	-96.2	0	0	0	109.6	A328 R339 H341 W343 I350 M352 L385 F393 V394	A328-F330 HydrophobicContact CB-CD2 4.14Å; A328-F330 HydrophobicContact CB-CE2 3.62Å; A328-F330 HydrophobicContact CB-CZ 4.21Å; F330-R339 PolarHBondContact N-O 3.26Å; F330-H341 HydrophobicContact CD2-CB 4.15Å; F330-W343 HydrophobicContact CE2-CB 3.88Å; F330-W343 HydrophobicContact CE2-CG 4.06Å; F330-W343 HydrophobicContact CZ-CB 4.14Å; F330-W343 HydrophobicContact CZ-CG 4.16Å; F330-I350 HydrophobicContact CZ-CG2 4.45Å; F330-M352 HydrophobicContact CB-SD 3.79Å; F330-M352 HydrophobicContact CD1-CE 4.28Å; F330-M352 HydrophobicContact CD1-SD 3.64Å; F330-M352 HydrophobicContact CD2-CG 3.99Å; F330-M352 HydrophobicContact CD2-SD 3.45Å; F330-M352 WeakPolarHBondContact CD2-SD 3.09Å; F330-M352 HydrophobicContact CE1-SD 4Å; F330-M352 HydrophobicContact CE2-CG 3.81Å; F330-M352 HydrophobicContact CE2-SD 3.8Å; F330-M352 HydrophobicContact CG-CG 4.43Å; F330-M352 HydrophobicContact CG-SD 3.35Å; F330-M352 WeakPolarHBondContact CG-SD 3.33Å; F330-M352 HydrophobicContact CZ-CG 4.13Å; F330-M352 HydrophobicContact CZ-SD 4.08Å; F330-L385 HydrophobicContact CE1-CD1 4.35Å; F330-F393 WeakPolarHBondContact CA-O 3.3Å; F330-V394 HydrophobicContact CD1-CG2 3.7Å; F330-V394 HydrophobicContact CE1-CB 4.45Å; F330-V394 HydrophobicContact CE1-CG1 4.23Å; F330-V394 HydrophobicContact CE1-CG2 3.44Å; F330-V394 VanDerWaalsContact CE1-CG2 3.44Å; F330-V394 HydrophobicContact CZ-CG1 4.24Å; F330-V394 HydrophobicContact CZ-CG2 4.24Å
331	H	74.9	Confident	72.6	Confident	20 Å²	20	85.7 Å²	85.7	9%	0.093	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.5	165.6	68.3	89.3	0	0	0	110.3	R338 Y392 F393	H331-R338 HydrophobicContact CB-CG 4.38Å; H331-Y392 WeakPolarHBondContact O-CA 3.14Å; H331-F393 WeakPolarHBondContact CE1-CB 3.26Å; H331-F393 AromaticContact CE1-CD2 3.44Å; H331-F393 VanDerWaalsContact CE1-CD2 3.44Å; H331-F393 WeakPolarHBondContact CE1-CD2 3.35Å; H331-F393 AromaticContact CE1-CG 3.51Å; H331-F393 PolarHBondContact N-O 3.24Å; H331-F393 VanDerWaalsContact N-O 3.14Å; H331-F393 AromaticContact ND1-CD2 3.56Å; H331-F393 WeakPolarHBondContact NE2-CB 3.44Å; H331-F393 PolarHBondContact O-N 2.99Å
332	T	77.5	Confident	73.5	Confident	14 Å²	14	80 Å²	80	9%	0.086	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	163.3	176.5	64.6	0	0	0	0	110.1	K334 N335 N391 Y392	T332-K334 PolarHBondContact O-N 3.16Å; T332-N335 PolarHBondContact N-O 3.47Å; T332-N335 CarbonylContact O-C 3.32Å; T332-N335 VanDerWaalsContact O-C 3.32Å; T332-N335 PolarHBondContact O-N 3.4Å; T332-N335 PolarHBondContact OG1-N 2.98Å; T332-N335 VanDerWaalsContact OG1-N 3.14Å; T332-N391 VanDerWaalsContact CA-O 3.26Å; T332-N391 WeakPolarHBondContact CA-O 3.24Å; T332-Y392 HydrophobicContact CG2-CD1 3.84Å; T332-Y392 HydrophobicContact CG2-CE1 3.83Å; T332-Y392 HydrophobicContact CG2-CG 4.48Å
333	A	72.1	Confident	74.3	Confident	62 Å²	62	79.4 Å²	79.4	51%	0.512	37%	0.367	S	S	.	.	S	Bend	trans	-56.2	-33.9	172.2	0	0	0	0	0	112.6	N391 F393	A333-N391 PolarHBondContact N-O 3.08Å; A333-F393 HydrophobicContact CB-CE2 4.36Å
334	K	71.9	Confident	75.1	Confident	188 Å²	188	74.9 Å²	74.9	82%	0.817	34%	0.343	S	S	*	.	S	Bend	trans	-78.6	-28.9	179.4	-65.2	-174.9	178.2	-177.7	0	113.7	T332	T332-K334 PolarHBondContact O-N 3.16Å
335	N	72.7	Confident	75.6	Confident	73 Å²	73	73.1 Å²	73.1	39%	0.39	34%	0.336	S	S	.	.			trans	-129.1	100.3	-177.7	-171.9	-19.5	0	0	0	109.7	T332 L337	T332-N335 PolarHBondContact N-O 3.47Å; T332-N335 CarbonylContact O-C 3.32Å; T332-N335 VanDerWaalsContact O-C 3.32Å; T332-N335 PolarHBondContact O-N 3.4Å; T332-N335 PolarHBondContact OG1-N 2.98Å; T332-N335 VanDerWaalsContact OG1-N 3.14Å; N335-L337 PolarHBondContact O-N 2.94Å; N335-L337 WeakPolarHBondContact OD1-CB 3.5Å; N335-L337 PolarHBondContact OD1-N 3.22Å
336	K	71.3	Confident	74.9	Confident	183 Å²	183	68.6 Å²	68.6	80%	0.796	32%	0.316	S	S	*	.			trans	-72.1	-5.2	179.8	-63.9	-174.4	-179.4	179.9	0	113.5	R338	K336-R338 PolarHBondContact O-N 3.47Å
337	L	72.5	Confident	74.1	Confident	114 Å²	114	70.9 Å²	70.9	60%	0.597	33%	0.327	S	S	*	.			trans	-65.4	109.9	178.9	-158.8	92	0	0	0	109.7	N335 R339	N335-L337 PolarHBondContact O-N 2.94Å; N335-L337 WeakPolarHBondContact OD1-CB 3.5Å; N335-L337 PolarHBondContact OD1-N 3.22Å; L337-R339 PolarHBondContact O-N 3.32Å
338	R	69.4	Low	73	Confident	168 Å²	168	70.6 Å²	70.6	63%	0.634	33%	0.328	S	S	*	.			trans	-80.6	96.1	-179.8	-74.3	-177.4	171.2	-170.1	-3	109.4	V329 H331 K336	V329-R338 HydrophobicContact CG1-CB 3.69Å; V329-R338 HydrophobicContact CG1-CG 4.15Å; H331-R338 HydrophobicContact CB-CG 4.38Å; K336-R338 PolarHBondContact O-N 3.47Å
339	R	69.9	Low	72.6	Confident	167 Å²	167	70.4 Å²	70.4	63%	0.63	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.3	178.1	-140.6	173.3	-169.2	171.6	2.5	110.4	V329 F330 L337 H341	V329-R339 WeakPolarHBondContact CA-O 3.3Å; F330-R339 PolarHBondContact N-O 3.26Å; L337-R339 PolarHBondContact O-N 3.32Å; R339-H341 PolarHBondContact O-CD2 3.36Å
340	R	76.8	Confident	72.8	Confident	143 Å²	143	69.7 Å²	69.7	54%	0.54	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.3	175.5	-165.6	-171.7	172.7	169.7	-3.4	108.2	W327 V329	W327-R340 VanDerWaalsContact CD1-NH2 3.31Å; W327-R340 HydrophobicContact CD2-CG 4.41Å; W327-R340 VanDerWaalsContact CD2-NE 3.31Å; W327-R340 HydrophobicContact CE3-CG 3.6Å; W327-R340 VanDerWaalsContact CE3-NE 3.32Å; W327-R340 HydrophobicContact CZ3-CG 4.09Å; V329-R340 HydrophobicContact CG2-CB 4.42Å
341	H	80.9	Confident	73.1	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.088	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.3	177.6	-72.1	-75.1	0	0	0	109.8	W327 A328 F330 R339 M352 Y353	W327-H341 VanDerWaalsContact CE3-C 3.43Å; A328-H341 PolarHBondContact N-O 3.38Å; A328-H341 PolarHBondContact O-N 3.08Å; A328-H341 VanDerWaalsContact O-O 3.11Å; F330-H341 HydrophobicContact CD2-CB 4.15Å; R339-H341 PolarHBondContact O-CD2 3.36Å; H341-M352 HydrophobicContact CB-CB 4.21Å; H341-M352 HydrophobicContact CB-CG 4.4Å; H341-Y353 WeakPolarHBondContact CB-O 3.28Å; H341-Y353 PolarHBondContact ND1-O 3.09Å; H341-Y353 VanDerWaalsContact ND1-O 3.13Å
342	Y	80.2	Confident	73.5	Confident	27 Å²	27	68.7 Å²	68.7	11%	0.106	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.8	164.4	-174.7	-105.2	0	0	0	107.8	E325 G326 W327 M352 Y353 E356	E325-Y342 HydrophobicContact CB-CE1 4.37Å; E325-Y342 VanDerWaalsContact CG-OH 3.24Å; E325-Y342 WeakPolarHBondContact CG-OH 3.38Å; E325-Y342 PolarHBondContact OE1-OH 3.29Å; E325-Y342 PolarHBondContact OE2-OH 3.36Å; G326-Y342 CarbonylContact O-C 3.58Å; G326-Y342 WeakPolarHBondContact O-CA 3.5Å; G326-Y342 WeakPolarHBondContact O-CD2 3.43Å; W327-Y342 HydrophobicContact CD2-CD2 4.25Å; W327-Y342 HydrophobicContact CG-CD2 4.47Å; Y342-M352 CarbonylContact O-C 3.59Å; Y342-M352 WeakPolarHBondContact O-CA 3Å; Y342-Y353 HydrophobicContact CD1-CD2 4.17Å; Y342-Y353 PolarHBondContact N-O 2.83Å; Y342-Y353 PolarHBondContact O-N 2.91Å; Y342-E356 HydrophobicContact CD1-CG 4.43Å; Y342-E356 HydrophobicContact CD2-CB 4.4Å; Y342-E356 HydrophobicContact CD2-CG 3.34Å; Y342-E356 HydrophobicContact CE1-CG 4.48Å; Y342-E356 HydrophobicContact CE2-CB 4.5Å; Y342-E356 HydrophobicContact CE2-CG 3.41Å; Y342-E356 VanDerWaalsContact CE2-CG 3.41Å; Y342-E356 HydrophobicContact CG-CG 3.88Å
343	W	82	Confident	73.6	Confident	51 Å²	51	70 Å²	70	19%	0.193	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.3	-175.8	72.5	-81.4	0	0	0	111.6	Q324 E325 G326 F330 L345 I350 V351 M352	Q324-W343 HydrophobicContact CG-CH2 4.26Å; E325-W343 CarbonylContact C-O 3.48Å; E325-W343 WeakPolarHBondContact CA-O 3.28Å; E325-W343 WeakPolarHBondContact CB-O 3.03Å; G326-W343 VanDerWaalsContact C-CD1 3.49Å; G326-W343 PolarHBondContact N-O 2.91Å; G326-W343 PolarHBondContact O-N 2.9Å; G326-W343 PolarHBondContact O-NE1 3.33Å; F330-W343 HydrophobicContact CE2-CB 3.88Å; F330-W343 HydrophobicContact CE2-CG 4.06Å; F330-W343 HydrophobicContact CZ-CB 4.14Å; F330-W343 HydrophobicContact CZ-CG 4.16Å; W343-L345 HydrophobicContact CZ3-CB 3.84Å; W343-I350 HydrophobicContact CE3-CG2 3.98Å; W343-V351 CarbonylContact C-O 3.59Å; W343-V351 WeakPolarHBondContact CA-O 3.46Å; W343-M352 HydrophobicContact CB-CG 4.2Å
344	C	78.1	Confident	73.9	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.6	175.9	-58.3	0	0	0	0	109.5	V322 Q324 E325 V351 Y353	V322-C344 HydrophobicContact CG1-CB 4.02Å; V322-C344 HydrophobicContact CG2-CB 4.27Å; Q324-C344 CarbonylContact O-C 3.52Å; Q324-C344 WeakPolarHBondContact O-CA 3.34Å; E325-C344 HydrophobicContact CB-CB 4.46Å; C344-V351 PolarHBondContact N-O 3.18Å; C344-V351 PolarHBondContact O-N 2.94Å; C344-Y353 HydrophobicContact CB-CE2 4.14Å
345	L	74.5	Confident	74.1	Confident	40 Å²	40	63.1 Å²	63.1	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.2	165.5	-173.4	60.2	0	0	0	109.4	V322 L323 Q324 W343 I350 L367	V322-L345 CarbonylContact C-O 3.54Å; V322-L345 WeakPolarHBondContact CA-O 3.2Å; L323-L345 HydrophobicContact CB-CB 4.33Å; L323-L345 HydrophobicContact CB-CD2 4.16Å; L323-L345 HydrophobicContact CB-CG 4.15Å; L323-L345 HydrophobicContact CD1-CD2 4.42Å; L323-L345 HydrophobicContact CD1-CG 4.31Å; L323-L345 PolarHBondContact N-O 3.43Å; Q324-L345 HydrophobicContact CB-CB 4.1Å; Q324-L345 HydrophobicContact CB-CD2 4.49Å; Q324-L345 PolarHBondContact O-N 3Å; W343-L345 HydrophobicContact CZ3-CB 3.84Å; L345-I350 HydrophobicContact CD1-CG1 3.9Å; L345-L367 HydrophobicContact CD1-CD1 4.15Å; L345-L367 HydrophobicContact CD1-CD2 3.99Å
346	T	64.1	Low	74.2	Confident	13 Å²	13	65.5 Å²	65.5	8%	0.08	30%	0.299	C	S	.	.			trans	-113.1	168.1	167.2	72	0	0	0	0	109.2	K348 S349 V351 L367	T346-K348 PolarHBondContact O-N 2.75Å; T346-K348 PolarHBondContact OG1-N 3.29Å; T346-S349 PolarHBondContact N-O 3.1Å; T346-S349 PolarHBondContact OG1-N 3.33Å; T346-S349 PolarHBondContact OG1-O 2.87Å; T346-S349 PolarHBondContact OG1-OG 3.35Å; T346-V351 HydrophobicContact CG2-CG2 4.41Å; T346-L367 WeakPolarHBondContact O-CD1 3.12Å
347	P	61.3	Low	74.2	Confident	67 Å²	67	62.9 Å²	62.9	44%	0.435	30%	0.299	S	S	.	.	S	Bend	trans	-59.9	-12.7	173.9	-24.5	34.2	0	0	0	114.5	K321 L323	K321-P347 WeakPolarHBondContact O-CD 3.42Å; L323-P347 HydrophobicContact CD1-CG 4.1Å; L323-P347 HydrophobicContact CD2-CG 4.3Å; L323-P347 HydrophobicContact CG-CG 4.22Å
348	K	54.3	Low	73.9	Confident	82 Å²	82	59 Å²	59	36%	0.357	28%	0.281	S	S	.	.	S	Bend	trans	-114.6	-29.1	-177.9	-69.4	-163.2	168.2	-130.8	0	114.2	A318 T346 L367 D464	A318-K348 HydrophobicContact CB-CD 4.4Å; T346-K348 PolarHBondContact O-N 2.75Å; T346-K348 PolarHBondContact OG1-N 3.29Å; K348-L367 PolarHBondContact O-N 3.09Å; K348-D464 IonicContact NZ-OD1 3.01Å; K348-D464 PolarHBondContact NZ-OD1 3.18Å; K348-D464 IonicContact NZ-OD2 3.43Å
349	S	67.8	Low	73.9	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154	-169.3	56.2	0	0	0	0	113.5	T346 V351 E364 V365	T346-S349 PolarHBondContact N-O 3.1Å; T346-S349 PolarHBondContact OG1-N 3.33Å; T346-S349 PolarHBondContact OG1-O 2.87Å; T346-S349 PolarHBondContact OG1-OG 3.35Å; S349-V351 WeakPolarHBondContact OG-CG2 3.33Å; S349-E364 VanDerWaalsContact CB-OE1 3.26Å; S349-E364 WeakPolarHBondContact CB-OE1 3.3Å; S349-E364 PolarHBondContact OG-OE1 2.79Å; S349-V365 CarbonylContact C-O 3.54Å; S349-V365 VanDerWaalsContact CA-O 3.3Å; S349-V365 WeakPolarHBondContact CA-O 3.32Å; S349-V365 WeakPolarHBondContact CB-O 3.28Å
350	I	80.6	Confident	73.8	Confident	17 Å²	17	59 Å²	59	9%	0.087	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.1	161.6	-56.9	171.1	0	0	0	106.5	F330 W343 L345 V365 L367 L385	F330-I350 HydrophobicContact CZ-CG2 4.45Å; W343-I350 HydrophobicContact CE3-CG2 3.98Å; L345-I350 HydrophobicContact CD1-CG1 3.9Å; I350-V365 HydrophobicContact CB-CB 4.31Å; I350-V365 PolarHBondContact N-O 3.19Å; I350-V365 PolarHBondContact O-N 2.84Å; I350-L367 HydrophobicContact CD1-CD2 4.17Å; I350-L367 HydrophobicContact CG1-CD2 3.82Å; I350-L385 HydrophobicContact CD1-CD1 3.93Å
351	V	81.5	Confident	73.6	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.7	179	-170.2	0	0	0	0	108.9	W343 C344 T346 S349 Y353 R361 E364	W343-V351 CarbonylContact C-O 3.59Å; W343-V351 WeakPolarHBondContact CA-O 3.46Å; C344-V351 PolarHBondContact N-O 3.18Å; C344-V351 PolarHBondContact O-N 2.94Å; T346-V351 HydrophobicContact CG2-CG2 4.41Å; S349-V351 WeakPolarHBondContact OG-CG2 3.33Å; V351-Y353 HydrophobicContact CB-CE2 3.9Å; V351-Y353 HydrophobicContact CG1-CD2 4.25Å; V351-Y353 HydrophobicContact CG1-CE1 4.15Å; V351-Y353 HydrophobicContact CG1-CE2 3.52Å; V351-Y353 VanDerWaalsContact CG1-CZ 3.48Å; V351-R361 HydrophobicContact CG1-CB 4.08Å; V351-R361 HydrophobicContact CG1-CG 3.66Å; V351-E364 HydrophobicContact CG2-CG 4.16Å
352	M	83.5	Confident	73.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.2	176.7	-69	171.8	-95.3	0	0	110.1	F330 H341 Y342 W343 C362 R363 V365 Y392	F330-M352 HydrophobicContact CB-SD 3.79Å; F330-M352 HydrophobicContact CD1-CE 4.28Å; F330-M352 HydrophobicContact CD1-SD 3.64Å; F330-M352 HydrophobicContact CD2-CG 3.99Å; F330-M352 HydrophobicContact CD2-SD 3.45Å; F330-M352 WeakPolarHBondContact CD2-SD 3.09Å; F330-M352 HydrophobicContact CE1-SD 4Å; F330-M352 HydrophobicContact CE2-CG 3.81Å; F330-M352 HydrophobicContact CE2-SD 3.8Å; F330-M352 HydrophobicContact CG-CG 4.43Å; F330-M352 HydrophobicContact CG-SD 3.35Å; F330-M352 WeakPolarHBondContact CG-SD 3.33Å; F330-M352 HydrophobicContact CZ-CG 4.13Å; F330-M352 HydrophobicContact CZ-SD 4.08Å; H341-M352 HydrophobicContact CB-CB 4.21Å; H341-M352 HydrophobicContact CB-CG 4.4Å; Y342-M352 CarbonylContact O-C 3.59Å; Y342-M352 WeakPolarHBondContact O-CA 3Å; W343-M352 HydrophobicContact CB-CG 4.2Å; M352-C362 WeakPolarHBondContact O-CA 3.48Å; M352-C362 WeakPolarHBondContact O-CB 3.24Å; M352-C362 PolarHBondContact O-N 3.14Å; M352-R363 HydrophobicContact CB-CB 4.19Å; M352-R363 HydrophobicContact CE-CB 3.55Å; M352-R363 PolarHBondContact N-O 2.8Å; M352-R363 PolarHBondContact O-N 3.03Å; M352-R363 VanDerWaalsContact O-N 3.1Å; M352-R363 HydrophobicContact SD-CB 4.22Å; M352-V365 HydrophobicContact CE-CG2 3.74Å; M352-Y392 HydrophobicContact CE-CE1 4.33Å
353	Y	80.8	Confident	73.3	Confident	43 Å²	43	63.2 Å²	63.2	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	163.1	179.4	-58.8	-88.1	0	0	0	110	H341 Y342 C344 V351 D355 C358 R361	H341-Y353 WeakPolarHBondContact CB-O 3.28Å; H341-Y353 PolarHBondContact ND1-O 3.09Å; H341-Y353 VanDerWaalsContact ND1-O 3.13Å; Y342-Y353 HydrophobicContact CD1-CD2 4.17Å; Y342-Y353 PolarHBondContact N-O 2.83Å; Y342-Y353 PolarHBondContact O-N 2.91Å; C344-Y353 HydrophobicContact CB-CE2 4.14Å; V351-Y353 HydrophobicContact CB-CE2 3.9Å; V351-Y353 HydrophobicContact CG1-CD2 4.25Å; V351-Y353 HydrophobicContact CG1-CE1 4.15Å; V351-Y353 HydrophobicContact CG1-CE2 3.52Å; V351-Y353 VanDerWaalsContact CG1-CZ 3.48Å; Y353-D355 VanDerWaalsContact C-N 3.35Å; Y353-D355 WeakPolarHBondContact CB-O 3.35Å; Y353-C358 WeakPolarHBondContact CD1-O 3.42Å; Y353-R361 HydrophobicContact CE1-CG 3.99Å
354	A	77.5	Confident	73.3	Confident	45 Å²	45	64.5 Å²	64.5	37%	0.372	33%	0.328	S	S	.	.	S	Bend	trans	-68.6	-40	176.1	0	0	0	0	0	110.8	C358 C362	A354-C358 HydrophobicContact CB-CB 4.33Å; A354-C362 PolarHBondContact N-SG 3.12Å
355	D	76.8	Confident	73.3	Confident	60 Å²	60	64.4 Å²	64.4	32%	0.321	33%	0.327	S	S	.	.	S	Bend	trans	-154.4	177.9	-179.5	60.5	62.4	0	0	0	110.8	W327 Y353 T357 C358	W327-D355 HydrophobicContact CH2-CB 4.03Å; Y353-D355 VanDerWaalsContact C-N 3.35Å; Y353-D355 WeakPolarHBondContact CB-O 3.35Å; D355-T357 VanDerWaalsContact C-N 3.31Å; D355-T357 PolarHBondContact O-N 3.16Å; D355-T357 WeakPolarHBondContact OD1-CA 3.47Å; D355-T357 PolarHBondContact OD1-N 3.33Å; D355-T357 PolarHBondContact OD1-OG1 3.14Å; D355-C358 PolarHBondContact O-N 2.75Å; D355-C358 WeakPolarHBondContact OD1-CB 3.4Å; D355-C358 PolarHBondContact OD1-N 3.4Å
356	E	74.1	Confident	73.1	Confident	122 Å²	122	64.7 Å²	64.7	57%	0.57	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.5	179.6	-77.1	173.9	-168.5	0	0	114	W327 Y342	W327-E356 HydrophobicContact CZ2-CG 3.87Å; W327-E356 PolarHBondContact NE1-OE1 2.63Å; Y342-E356 HydrophobicContact CD1-CG 4.43Å; Y342-E356 HydrophobicContact CD2-CB 4.4Å; Y342-E356 HydrophobicContact CD2-CG 3.34Å; Y342-E356 HydrophobicContact CE1-CG 4.48Å; Y342-E356 HydrophobicContact CE2-CB 4.5Å; Y342-E356 HydrophobicContact CE2-CG 3.41Å; Y342-E356 VanDerWaalsContact CE2-CG 3.41Å; Y342-E356 HydrophobicContact CG-CG 3.88Å
357	T	70.8	Confident	73	Confident	129 Å²	129	66.9 Å²	66.9	79%	0.791	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-10.7	-177.5	60.6	0	0	0	0	112.8	D355 T359	D355-T357 VanDerWaalsContact C-N 3.31Å; D355-T357 PolarHBondContact O-N 3.16Å; D355-T357 WeakPolarHBondContact OD1-CA 3.47Å; D355-T357 PolarHBondContact OD1-N 3.33Å; D355-T357 PolarHBondContact OD1-OG1 3.14Å; T357-T359 PolarHBondContact O-N 3.25Å
358	C	67.2	Low	72.9	Confident	33 Å²	33	65.7 Å²	65.7	22%	0.223	34%	0.335	C	S	.	.			trans	-79.1	121.4	-172.1	-163.4	0	0	0	0	111.1	Y353 A354 D355 R360	Y353-C358 WeakPolarHBondContact CD1-O 3.42Å; A354-C358 HydrophobicContact CB-CB 4.33Å; D355-C358 PolarHBondContact O-N 2.75Å; D355-C358 WeakPolarHBondContact OD1-CB 3.4Å; D355-C358 PolarHBondContact OD1-N 3.4Å; C358-R360 VanDerWaalsContact C-N 3.33Å
359	T	69	Low	73.3	Confident	135 Å²	135	68 Å²	68	83%	0.828	34%	0.341	S	S	*	.			trans	-80.6	-17.4	170.9	56.5	0	0	0	0	112.6	T357 R361	T357-T359 PolarHBondContact O-N 3.25Å; T359-R361 PolarHBondContact O-N 3.11Å
360	R	68.7	Low	73.3	Confident	198 Å²	198	68 Å²	68	75%	0.747	34%	0.341	S	S	*	.	S	Bend	trans	-81.9	116.9	-176.6	-170.6	179.4	179.4	-172.6	1.3	110.4	C358 C362	C358-R360 VanDerWaalsContact C-N 3.33Å; R360-C362 PolarHBondContact O-N 2.93Å; R360-C362 VanDerWaalsContact O-N 3.17Å
361	R	72.7	Confident	72.4	Confident	131 Å²	131	69.4 Å²	69.4	49%	0.494	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	112	173.2	-54.5	-177.5	-171.4	175	3.4	109.1	V351 Y353 T359 E364	V351-R361 HydrophobicContact CG1-CB 4.08Å; V351-R361 HydrophobicContact CG1-CG 3.66Å; Y353-R361 HydrophobicContact CE1-CG 3.99Å; T359-R361 PolarHBondContact O-N 3.11Å; R361-E364 IonicContact CZ-OE2 2.95Å; R361-E364 IonicContact NH1-OE1 3.44Å; R361-E364 IonicContact NH1-OE2 3.97Å; R361-E364 PolarHBondContact NH1-OE2 2.97Å
362	C	74.8	Confident	71.4	Confident	60 Å²	60	70.6 Å²	70.6	41%	0.405	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-41.1	173.2	-69.8	0	0	0	0	111.1	M352 A354 R360	M352-C362 WeakPolarHBondContact O-CA 3.48Å; M352-C362 WeakPolarHBondContact O-CB 3.24Å; M352-C362 PolarHBondContact O-N 3.14Å; A354-C362 PolarHBondContact N-SG 3.12Å; R360-C362 PolarHBondContact O-N 2.93Å; R360-C362 VanDerWaalsContact O-N 3.17Å
363	R	79.9	Confident	70.5	Confident	87 Å²	87	73.2 Å²	73.2	33%	0.328	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.9	177.3	-67.7	-173.8	177.7	169.2	0.2	110	M352	M352-R363 HydrophobicContact CB-CB 4.19Å; M352-R363 HydrophobicContact CE-CB 3.55Å; M352-R363 PolarHBondContact N-O 2.8Å; M352-R363 PolarHBondContact O-N 3.03Å; M352-R363 VanDerWaalsContact O-N 3.1Å; M352-R363 HydrophobicContact SD-CB 4.22Å
364	E	81.3	Confident	69.5	Low	79 Å²	79	77.2 Å²	77.2	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.3	173.9	-179.3	167.1	-176.2	0	0	108.6	S349 V351 R361	S349-E364 VanDerWaalsContact CB-OE1 3.26Å; S349-E364 WeakPolarHBondContact CB-OE1 3.3Å; S349-E364 PolarHBondContact OG-OE1 2.79Å; V351-E364 HydrophobicContact CG2-CG 4.16Å; R361-E364 IonicContact CZ-OE2 2.95Å; R361-E364 IonicContact NH1-OE1 3.44Å; R361-E364 IonicContact NH1-OE2 3.97Å; R361-E364 PolarHBondContact NH1-OE2 2.97Å
365	V	77.2	Confident	68.9	Low	4 Å²	4	81.4 Å²	81.4	2%	0.024	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	102.4	174.6	-176.8	0	0	0	0	107.2	S349 I350 M352 L367 V370 T387 Y392	S349-V365 CarbonylContact C-O 3.54Å; S349-V365 VanDerWaalsContact CA-O 3.3Å; S349-V365 WeakPolarHBondContact CA-O 3.32Å; S349-V365 WeakPolarHBondContact CB-O 3.28Å; I350-V365 HydrophobicContact CB-CB 4.31Å; I350-V365 PolarHBondContact N-O 3.19Å; I350-V365 PolarHBondContact O-N 2.84Å; M352-V365 HydrophobicContact CE-CG2 3.74Å; V365-L367 PolarHBondContact O-N 2.92Å; V365-V370 HydrophobicContact CG1-CG2 3.91Å; V365-T387 HydrophobicContact CG1-CG2 3.87Å; V365-Y392 HydrophobicContact CG2-CE1 4.03Å; V365-Y392 HydrophobicContact CG2-CE2 4.01Å
366	P	70.5	Confident	67.9	Low	45 Å²	45	80.7 Å²	80.7	29%	0.292	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	131.2	171.7	-22.7	33.3	0	0	0	109.8	S368 R369	P366-S368 PolarHBondContact O-N 3.49Å; P366-R369 HydrophobicContact CB-CB 4.49Å; P366-R369 HydrophobicContact CB-CG 4.33Å; P366-R369 PolarHBondContact O-N 3.34Å
367	L	62.8	Low	66.9	Low	60 Å²	60	81.5 Å²	81.5	31%	0.314	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-59.2	-33.5	176.6	-69.4	178.7	0	0	0	110.8	L345 T346 K348 I350 V365 R369 V370	L345-L367 HydrophobicContact CD1-CD1 4.15Å; L345-L367 HydrophobicContact CD1-CD2 3.99Å; T346-L367 WeakPolarHBondContact O-CD1 3.12Å; K348-L367 PolarHBondContact O-N 3.09Å; I350-L367 HydrophobicContact CD1-CD2 4.17Å; I350-L367 HydrophobicContact CG1-CD2 3.82Å; V365-L367 PolarHBondContact O-N 2.92Å; L367-R369 PolarHBondContact O-N 3.32Å; L367-V370 PolarHBondContact O-N 3.34Å; L367-V370 VanDerWaalsContact O-N 3.09Å
368	S	59.1	Low	65.7	Low	41 Å²	41	79.5 Å²	79.5	29%	0.287	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.7	174.1	60.6	0	0	0	0	113.1	P366 Q460 F462	P366-S368 PolarHBondContact O-N 3.49Å; S368-Q460 PolarHBondContact O-NE2 3.15Å; S368-F462 WeakPolarHBondContact O-CE1 3.44Å
369	R	63.3	Low	64.7	Low	131 Å²	131	82.1 Å²	82.1	49%	0.494	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-89.9	-3.5	179.6	-71.3	-166.4	173.5	-170.4	-1.1	114.5	P366 L367 L371 T387	P366-R369 HydrophobicContact CB-CB 4.49Å; P366-R369 HydrophobicContact CB-CG 4.33Å; P366-R369 PolarHBondContact O-N 3.34Å; L367-R369 PolarHBondContact O-N 3.32Å; R369-L371 PolarHBondContact O-N 2.96Å; R369-T387 VanDerWaalsContact O-CA 3.22Å; R369-T387 WeakPolarHBondContact O-CA 3.44Å; R369-T387 VanDerWaalsContact O-CB 3.24Å; R369-T387 WeakPolarHBondContact O-CB 3.44Å
370	V	66.3	Low	63.8	Low	3 Å²	3	80.9 Å²	80.9	2%	0.018	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.4	178.1	-178.2	0	0	0	0	108.3	V365 L367 V373 R386 Q460	V365-V370 HydrophobicContact CG1-CG2 3.91Å; L367-V370 PolarHBondContact O-N 3.34Å; L367-V370 VanDerWaalsContact O-N 3.09Å; V370-V373 HydrophobicContact CG1-CG2 4.08Å; V370-R386 CarbonylContact C-O 3.58Å; V370-Q460 PolarHBondContact O-NE2 3.38Å
371	L	61.8	Low	63	Low	47 Å²	47	73.6 Å²	73.6	25%	0.246	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-31.7	-179.9	-61.6	178.7	0	0	0	112.3	R369 R386 V388	R369-L371 PolarHBondContact O-N 2.96Å; L371-R386 HydrophobicContact CB-CG 4.39Å; L371-R386 PolarHBondContact N-O 2.96Å; L371-V388 HydrophobicContact CD1-CG1 4.04Å; L371-V388 HydrophobicContact CD2-CG1 4.02Å; L371-V388 HydrophobicContact CG-CG1 4.24Å
372	A	60.7	Low	62.5	Low	29 Å²	29	69.4 Å²	69.4	24%	0.24	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	154	178.6	0	0	0	0	0	111.6	R386	A372-R386 HydrophobicContact CB-CB 4.27Å; A372-R386 PolarHBondContact N-O 3.31Å; A372-R386 PolarHBondContact O-N 2.72Å
373	V	64.2	Low	62.3	Low	55 Å²	55	70 Å²	70	33%	0.333	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.4	167.7	-175.6	0	0	0	0	107.7	V370 L383 E384 L385	V370-V373 HydrophobicContact CG1-CG2 4.08Å; V373-L383 HydrophobicContact CG1-CD2 4.33Å; V373-E384 CarbonylContact C-O 3.25Å; V373-E384 WeakPolarHBondContact CA-O 3.4Å; V373-L385 HydrophobicContact CB-CD2 4.17Å; V373-L385 HydrophobicContact CG1-CD2 3.8Å; V373-L385 HydrophobicContact CG2-CD2 3.58Å
374	R	61.6	Low	61.9	Low	128 Å²	128	67.3 Å²	67.3	48%	0.483	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.9	178	-64.8	179.8	169.8	-171.9	-8.8	110.3	L383 E384	R374-L383 CarbonylContact O-C 3.6Å; R374-L383 WeakPolarHBondContact O-CA 3.39Å; R374-E384 HydrophobicContact CB-CB 4.24Å; R374-E384 PolarHBondContact N-O 2.92Å; R374-E384 PolarHBondContact O-N 2.96Å
375	Q	65.1	Low	61.6	Low	132 Å²	132	64.5 Å²	64.5	62%	0.617	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	133.5	168.3	-171.8	171	-2.4	0	0	108.5	P377 L383	Q375-P377 WeakPolarHBondContact O-CD 3.41Å; Q375-L383 HydrophobicContact CB-CD2 4.12Å; Q375-L383 HydrophobicContact CG-CD2 4.33Å
376	S	54.4	Low	61	Low	45 Å²	45	67.8 Å²	67.8	32%	0.315	38%	0.384	S	S	.	.			trans	-65.6	126.3	174.1	-173	0	0	0	0	110	S378 L382	S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact OG-O 2.83Å; S376-L382 PolarHBondContact N-O 3Å; S376-L382 VanDerWaalsContact N-O 3.08Å
377	P	53.9	Low	60.9	Low	139 Å²	139	66.1 Å²	66.1	90%	0.903	37%	0.373	S	S	*	.	S	Bend	trans	-71.1	-25.3	175	25.3	-30.4	0	0	0	112.5	Q375	Q375-P377 WeakPolarHBondContact O-CD 3.41Å
378	S	46.1	Very low	60.8	Low	88 Å²	88	66.8 Å²	66.8	62%	0.615	38%	0.379	S	S	*	.	S	Bend	trans	-107	123.3	177.9	59.2	0	0	0	0	111.3	S376	S376-S378 VanDerWaalsContact C-N 3.3Å; S376-S378 PolarHBondContact OG-O 2.83Å
379	A	46.2	Very low	61.2	Low	88 Å²	88	68.2 Å²	68.2	73%	0.727	39%	0.389	S	S	*	.	S	Bend	trans	61.1	117	170.1	0	0	0	0	0	118.5
380	S	48.9	Very low	61.6	Low	108 Å²	108	63.4 Å²	63.4	76%	0.755	38%	0.376	S	S	*	.	S	Bend	trans	40.8	130.3	149.9	-158.1	0	0	0	0	119.3	L382	S380-L382 PolarHBondContact O-N 3.32Å
381	P	51.5	Low	62.1	Low	46 Å²	46	65.4 Å²	65.4	30%	0.299	39%	0.386	S	S	.	.			trans	-61.5	93.2	-135.6	33.9	-36.3	0	0	0	113.3	V395 G396	P381-V395 WeakPolarHBondContact O-CA 3.29Å; P381-G396 WeakPolarHBondContact CG-O 3.08Å; P381-G396 PolarHBondContact O-N 2.78Å
382	L	62	Low	62.8	Low	43 Å²	43	64.6 Å²	64.6	23%	0.225	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.4	170.4	-170.1	75.8	0	0	0	108.8	S376 S380 F393 V394 V395	S376-L382 PolarHBondContact N-O 3Å; S376-L382 VanDerWaalsContact N-O 3.08Å; S380-L382 PolarHBondContact O-N 3.32Å; L382-F393 HydrophobicContact CD1-CB 4.02Å; L382-F393 HydrophobicContact CD2-CD1 4.17Å; L382-F393 HydrophobicContact CG-CD1 4.42Å; L382-V394 WeakPolarHBondContact CA-O 3.38Å; L382-V395 HydrophobicContact CD1-CG2 3.36Å
383	L	71.5	Confident	63.4	Low	71 Å²	71	65.3 Å²	65.3	37%	0.372	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.9	170.4	-72.2	162	0	0	0	109.2	V373 R374 Q375 F393 V394	V373-L383 HydrophobicContact CG1-CD2 4.33Å; R374-L383 CarbonylContact O-C 3.6Å; R374-L383 WeakPolarHBondContact O-CA 3.39Å; Q375-L383 HydrophobicContact CB-CD2 4.12Å; Q375-L383 HydrophobicContact CG-CD2 4.33Å; L383-F393 CarbonylContact O-C 3.5Å; L383-F393 WeakPolarHBondContact O-CA 3.48Å; L383-V394 HydrophobicContact CB-CB 4.22Å; L383-V394 PolarHBondContact N-O 3.26Å; L383-V394 PolarHBondContact O-N 3.49Å
384	E	71.8	Confident	63.8	Low	32 Å²	32	63.6 Å²	63.6	15%	0.15	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.8	172	-176.6	-165.8	174	0	0	109.3	V373 R374 R386 N391 Y392 F393	V373-E384 CarbonylContact C-O 3.25Å; V373-E384 WeakPolarHBondContact CA-O 3.4Å; R374-E384 HydrophobicContact CB-CB 4.24Å; R374-E384 PolarHBondContact N-O 2.92Å; R374-E384 PolarHBondContact O-N 2.96Å; E384-R386 IonicContact OE1-CZ 3.79Å; E384-R386 IonicContact OE1-NE 3.34Å; E384-R386 PolarHBondContact OE1-NE 3.16Å; E384-R386 IonicContact OE1-NH2 3.49Å; E384-R386 PolarHBondContact OE1-NH2 3.47Å; E384-R386 IonicContact OE2-NH2 3.91Å; E384-N391 PolarHBondContact OE1-ND2 3.5Å; E384-Y392 CarbonylContact C-O 3.43Å; E384-Y392 VanDerWaalsContact CA-O 3.32Å; E384-Y392 WeakPolarHBondContact CA-O 3.15Å; E384-F393 HydrophobicContact CB-CD1 4.26Å; E384-F393 HydrophobicContact CB-CE1 4.28Å; E384-F393 HydrophobicContact CG-CD1 4.27Å; E384-F393 HydrophobicContact CG-CE1 3.94Å
385	L	73.9	Confident	64	Low	19 Å²	19	58.7 Å²	58.7	10%	0.099	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.1	168	-53.8	168.9	0	0	0	108.6	F330 I350 V373 Y392 V394	F330-L385 HydrophobicContact CE1-CD1 4.35Å; I350-L385 HydrophobicContact CD1-CD1 3.93Å; V373-L385 HydrophobicContact CB-CD2 4.17Å; V373-L385 HydrophobicContact CG1-CD2 3.8Å; V373-L385 HydrophobicContact CG2-CD2 3.58Å; L385-Y392 PolarHBondContact N-O 3.27Å; L385-Y392 PolarHBondContact O-N 3.33Å; L385-V394 HydrophobicContact CD1-CG2 3.78Å; L385-V394 HydrophobicContact CG-CG2 4.14Å
386	R	65.3	Low	63.7	Low	73 Å²	73	53.3 Å²	53.3	28%	0.275	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.1	177.8	-178.7	165.7	-60.3	168.6	5.1	110.2	V370 L371 A372 E384 N391	V370-R386 CarbonylContact C-O 3.58Å; L371-R386 HydrophobicContact CB-CG 4.39Å; L371-R386 PolarHBondContact N-O 2.96Å; A372-R386 HydrophobicContact CB-CB 4.27Å; A372-R386 PolarHBondContact N-O 3.31Å; A372-R386 PolarHBondContact O-N 2.72Å; E384-R386 IonicContact OE1-CZ 3.79Å; E384-R386 IonicContact OE1-NE 3.34Å; E384-R386 PolarHBondContact OE1-NE 3.16Å; E384-R386 IonicContact OE1-NH2 3.49Å; E384-R386 PolarHBondContact OE1-NH2 3.47Å; E384-R386 IonicContact OE2-NH2 3.91Å; R386-N391 WeakPolarHBondContact CG-OD1 3.17Å
387	T	68.5	Low	63.3	Low	10 Å²	10	58.6 Å²	58.6	6%	0.061	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.1	169.7	77.2	0	0	0	0	110.9	V365 R369 S389 S390 Y392	V365-T387 HydrophobicContact CG1-CG2 3.87Å; R369-T387 VanDerWaalsContact O-CA 3.22Å; R369-T387 WeakPolarHBondContact O-CA 3.44Å; R369-T387 VanDerWaalsContact O-CB 3.24Å; R369-T387 WeakPolarHBondContact O-CB 3.44Å; T387-S389 PolarHBondContact O-N 2.7Å; T387-S389 VanDerWaalsContact O-N 3.11Å; T387-S389 PolarHBondContact OG1-N 3.24Å; T387-S389 PolarHBondContact OG1-OG 2.93Å; T387-S390 PolarHBondContact N-O 2.81Å; T387-S390 PolarHBondContact OG1-N 2.97Å; T387-S390 PolarHBondContact OG1-O 3.12Å; T387-Y392 HydrophobicContact CG2-CD2 4.02Å; T387-Y392 HydrophobicContact CG2-CE2 3.71Å
388	V	61.1	Low	62.4	Low	74 Å²	74	56.1 Å²	56.1	45%	0.448	34%	0.336	S	S	.	.	S	Bend	trans	-53.4	-27.3	172.8	-68.6	0	0	0	0	114	L371	L371-V388 HydrophobicContact CD1-CG1 4.04Å; L371-V388 HydrophobicContact CD2-CG1 4.02Å; L371-V388 HydrophobicContact CG-CG1 4.24Å
389	S	66.4	Low	61.8	Low	71 Å²	71	60.7 Å²	60.7	50%	0.497	34%	0.34	S	S	.	.	S	Bend	trans	-117.2	-17.2	-172.2	62.5	0	0	0	0	114.4	T387	T387-S389 PolarHBondContact O-N 2.7Å; T387-S389 VanDerWaalsContact O-N 3.11Å; T387-S389 PolarHBondContact OG1-N 3.24Å; T387-S389 PolarHBondContact OG1-OG 2.93Å
390	S	72.4	Confident	60.9	Low	30 Å²	30	61.6 Å²	61.6	21%	0.21	34%	0.342	C	S	.	.			trans	-161.1	143.4	-172	-70.6	0	0	0	0	112.8	T387	T387-S390 PolarHBondContact N-O 2.81Å; T387-S390 PolarHBondContact OG1-N 2.97Å; T387-S390 PolarHBondContact OG1-O 3.12Å
391	N	76.9	Confident	59.8	Low	46 Å²	46	63.5 Å²	63.5	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.3	165.1	-60.4	-13.3	0	0	0	108.4	T332 A333 E384 R386 F393	T332-N391 VanDerWaalsContact CA-O 3.26Å; T332-N391 WeakPolarHBondContact CA-O 3.24Å; A333-N391 PolarHBondContact N-O 3.08Å; E384-N391 PolarHBondContact OE1-ND2 3.5Å; R386-N391 WeakPolarHBondContact CG-OD1 3.17Å; N391-F393 HydrophobicContact CB-CE2 4.3Å; N391-F393 HydrophobicContact CB-CZ 4.44Å
392	Y	76.5	Confident	58.6	Low	29 Å²	29	64.4 Å²	64.4	11%	0.114	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.7	174	-60.7	-98.8	0	0	0	109.2	H331 T332 M352 V365 E384 L385 T387	H331-Y392 WeakPolarHBondContact O-CA 3.14Å; T332-Y392 HydrophobicContact CG2-CD1 3.84Å; T332-Y392 HydrophobicContact CG2-CE1 3.83Å; T332-Y392 HydrophobicContact CG2-CG 4.48Å; M352-Y392 HydrophobicContact CE-CE1 4.33Å; V365-Y392 HydrophobicContact CG2-CE1 4.03Å; V365-Y392 HydrophobicContact CG2-CE2 4.01Å; E384-Y392 CarbonylContact C-O 3.43Å; E384-Y392 VanDerWaalsContact CA-O 3.32Å; E384-Y392 WeakPolarHBondContact CA-O 3.15Å; L385-Y392 PolarHBondContact N-O 3.27Å; L385-Y392 PolarHBondContact O-N 3.33Å; T387-Y392 HydrophobicContact CG2-CD2 4.02Å; T387-Y392 HydrophobicContact CG2-CE2 3.71Å
393	F	73.6	Confident	56.8	Low	44 Å²	44	70.7 Å²	70.7	19%	0.193	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.3	175.2	-62.1	-84.6	0	0	0	108.5	F330 H331 A333 L382 L383 E384 N391	F330-F393 WeakPolarHBondContact CA-O 3.3Å; H331-F393 WeakPolarHBondContact CE1-CB 3.26Å; H331-F393 AromaticContact CE1-CD2 3.44Å; H331-F393 VanDerWaalsContact CE1-CD2 3.44Å; H331-F393 WeakPolarHBondContact CE1-CD2 3.35Å; H331-F393 AromaticContact CE1-CG 3.51Å; H331-F393 PolarHBondContact N-O 3.24Å; H331-F393 VanDerWaalsContact N-O 3.14Å; H331-F393 AromaticContact ND1-CD2 3.56Å; H331-F393 WeakPolarHBondContact NE2-CB 3.44Å; H331-F393 PolarHBondContact O-N 2.99Å; A333-F393 HydrophobicContact CB-CE2 4.36Å; L382-F393 HydrophobicContact CD1-CB 4.02Å; L382-F393 HydrophobicContact CD2-CD1 4.17Å; L382-F393 HydrophobicContact CG-CD1 4.42Å; L383-F393 CarbonylContact O-C 3.5Å; L383-F393 WeakPolarHBondContact O-CA 3.48Å; E384-F393 HydrophobicContact CB-CD1 4.26Å; E384-F393 HydrophobicContact CB-CE1 4.28Å; E384-F393 HydrophobicContact CG-CD1 4.27Å; E384-F393 HydrophobicContact CG-CE1 3.94Å; N391-F393 HydrophobicContact CB-CE2 4.3Å; N391-F393 HydrophobicContact CB-CZ 4.44Å
394	V	72.7	Confident	54.7	Low	20 Å²	20	74 Å²	74	12%	0.121	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.3	-175.9	-169.4	0	0	0	0	108.5	A328 V329 F330 L382 L383 L385	A328-V394 HydrophobicContact CB-CG1 3.71Å; V329-V394 WeakPolarHBondContact O-CA 3.12Å; F330-V394 HydrophobicContact CD1-CG2 3.7Å; F330-V394 HydrophobicContact CE1-CB 4.45Å; F330-V394 HydrophobicContact CE1-CG1 4.23Å; F330-V394 HydrophobicContact CE1-CG2 3.44Å; F330-V394 VanDerWaalsContact CE1-CG2 3.44Å; F330-V394 HydrophobicContact CZ-CG1 4.24Å; F330-V394 HydrophobicContact CZ-CG2 4.24Å; L382-V394 WeakPolarHBondContact CA-O 3.38Å; L383-V394 HydrophobicContact CB-CB 4.22Å; L383-V394 PolarHBondContact N-O 3.26Å; L383-V394 PolarHBondContact O-N 3.49Å; L385-V394 HydrophobicContact CD1-CG2 3.78Å; L385-V394 HydrophobicContact CG-CG2 4.14Å
395	V	65.1	Low	52.6	Low	24 Å²	24	76.7 Å²	76.7	15%	0.145	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.8	176.2	-175.6	0	0	0	0	110.2	V329 P381 L382 K397	V329-V395 HydrophobicContact CB-CB 4.39Å; V329-V395 PolarHBondContact N-O 3.43Å; V329-V395 PolarHBondContact O-N 2.88Å; V329-V395 VanDerWaalsContact O-N 3.13Å; P381-V395 WeakPolarHBondContact O-CA 3.29Å; L382-V395 HydrophobicContact CD1-CG2 3.36Å; V395-K397 HydrophobicContact CG1-CG 4.3Å
396	G	59.6	Low	50.3	Low	20 Å²	20	81.5 Å²	81.5	21%	0.206	48%	0.478	C	S	.	.			trans	-100.6	91.1	171.6	0	0	0	0	0	112.1	P381 S398	P381-G396 WeakPolarHBondContact CG-O 3.08Å; P381-G396 PolarHBondContact O-N 2.78Å; G396-S398 PolarHBondContact O-N 3Å
397	K	45.2	Very low	48.6	Very low	156 Å²	156	83.3 Å²	83.3	68%	0.678	50%	0.501	S	S	*	.			trans	-69.4	120.2	177.9	-76.5	-171.2	175.3	-173.9	0	111.4	V395 Y399	V395-K397 HydrophobicContact CG1-CG 4.3Å; K397-Y399 HydrophobicContact CB-CE2 4.34Å; K397-Y399 PolarHBondContact O-N 3.31Å
398	S	34.7	Very low	46.7	Very low	87 Å²	87	87.6 Å²	87.6	61%	0.608	53%	0.532	S	S	*	.			trans	-75.1	110.9	157.9	-63.7	0	0	0	0	108.3	G396 S400	G396-S398 PolarHBondContact O-N 3Å; S398-S400 PolarHBondContact O-N 3.13Å
399	Y	33.1	Very low	45	Very low	183 Å²	183	95.6 Å²	95.6	72%	0.718	55%	0.554	S	S	*	*			trans	-78.6	99.5	167.4	-82.6	-89.8	0	0	0	108.5	K397	K397-Y399 HydrophobicContact CB-CE2 4.34Å; K397-Y399 PolarHBondContact O-N 3.31Å
400	S	27.8	Very low	43.2	Very low	108 Å²	108	98 Å²	98	76%	0.755	57%	0.568	S	S	*	*			trans	-80	111.1	155.9	47.8	0	0	0	0	107.4	S398 G402	S398-S400 PolarHBondContact O-N 3.13Å; S400-G402 PolarHBondContact O-N 2.69Å
401	T	26.5	Very low	41	Very low	148 Å²	148	102.2 Å²	102.2	91%	0.908	60%	0.595	S	S	*	*			trans	-56.3	121.5	174.9	42.4	0	0	0	0	111.7
402	G	26.1	Very low	38.5	Very low	65 Å²	65	110.1 Å²	110.1	67%	0.67	63%	0.627	S	S	*	*			trans	-161.5	102.7	165.3	0	0	0	0	0	109.6	S400	S400-G402 PolarHBondContact O-N 2.69Å
403	M	24.8	Very low	36.3	Very low	175 Å²	175	113.5 Å²	113.5	86%	0.862	65%	0.651	S	S	*	*			trans	57.5	126.9	149.8	-67.8	-178.7	157.1	0	0	117.5
404	D	26.1	Very low	34.1	Very low	141 Å²	141	116.7 Å²	116.7	75%	0.754	68%	0.678	S	S	*	*			cis	-160	156.2	26.8	-93.6	-37.3	0	0	0	113
405	A	27.3	Very low	32	Very low	88 Å²	88	124.2 Å²	124.2	73%	0.727	71%	0.706	S	S	*	*			trans	23.1	110.6	149.7	0	0	0	0	0	117.8
406	S	27.3	Very low	30.3	Very low	119 Å²	119	125.7 Å²	125.7	83%	0.832	73%	0.726	S	S	*	*				174.3	155.2	72.8	41.2	0	0	0	0	108.3
407	S	29.9	Very low	28.9	Very low	111 Å²	111	129 Å²	129	78%	0.776	75%	0.745	S	S	*	*			trans	99.6	92.9	173.5	-158.1	0	0	0	0	117.5
408	S	28.1	Very low	28.1	Very low	101 Å²	101	124.3 Å²	124.3	71%	0.706	74%	0.735	S	S	*	*			trans	42.4	107.7	140.5	62.8	0	0	0	0	121.3
409	R	24.6	Very low	28.2	Very low	242 Å²	242	126.2 Å²	126.2	91%	0.913	73%	0.734	S	S	*	*			trans	55.3	98.6	148.9	-76.9	-177	176.4	-178.3	0.3	117.6
410	P	28.5	Very low	28.1	Very low	121 Å²	121	127.2 Å²	127.2	79%	0.786	74%	0.736	S	S	*	*			trans	-81.4	139.8	164.6	32.3	-28.9	0	0	0	110.9
411	P	26.5	Very low	28.3	Very low	118 Å²	118	127 Å²	127	77%	0.766	72%	0.723	S	S	*	*			trans	-67.9	136.9	176.4	26.6	-31.7	0	0	0	111.3	V413	P411-V413 PolarHBondContact O-N 2.97Å
412	K	25	Very low	28.5	Very low	212 Å²	212	125.8 Å²	125.8	92%	0.922	71%	0.706	S	S	*	*			trans	-63.9	91.2	176.8	-70.1	176.2	175.6	177.8	0	110.8
413	V	30.6	Very low	28.8	Very low	101 Å²	101	129.6 Å²	129.6	61%	0.612	71%	0.706	S	S	*	*			trans	-125	121	153.6	-175.9	0	0	0	0	107	P411 Y415	P411-V413 PolarHBondContact O-N 2.97Å; V413-Y415 HydrophobicContact CB-CE2 4.38Å; V413-Y415 WeakPolarHBondContact O-CD2 3.1Å; V413-Y415 WeakPolarHBondContact O-CE2 3.38Å; V413-Y415 PolarHBondContact O-N 2.78Å
414	S	26.4	Very low	28.8	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	70%	0.697	S	S	*	*			trans	-65.8	95	-171.3	-177	0	0	0	0	111.5	G416	S414-G416 PolarHBondContact O-N 2.8Å
415	Y	30	Very low	29.3	Very low	179 Å²	179	125.8 Å²	125.8	70%	0.702	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	3.1	179.5	-76.8	-78.8	0	0	0	114.5	V413 C417	V413-Y415 HydrophobicContact CB-CE2 4.38Å; V413-Y415 WeakPolarHBondContact O-CD2 3.1Å; V413-Y415 WeakPolarHBondContact O-CE2 3.38Å; V413-Y415 PolarHBondContact O-N 2.78Å; Y415-C417 PolarHBondContact O-N 2.82Å
416	G	28.9	Very low	29.5	Very low	55 Å²	55	125.1 Å²	125.1	57%	0.567	66%	0.662	S	S	*	*	H	α-helix	trans	-70.9	-25.3	-179.7	0	0	0	0	0	114.9	S414	S414-G416 PolarHBondContact O-N 2.8Å
417	C	29	Very low	29.4	Very low	90 Å²	90	123.6 Å²	123.6	61%	0.608	65%	0.648	S	S	*	*	H	α-helix	trans	-85.4	-24.7	-178.4	-170.8	0	0	0	0	113.3	Y415 H421	Y415-C417 PolarHBondContact O-N 2.82Å; C417-H421 PolarHBondContact O-N 2.67Å
418	A	29.3	Very low	29.4	Very low	57 Å²	57	123.8 Å²	123.8	47%	0.471	64%	0.644	S	S	.	*	H	α-helix	trans	-73.6	-31.2	-174.9	0	0	0	0	0	113.1	H421 F422	A418-H421 PolarHBondContact O-N 2.89Å; A418-H421 VanDerWaalsContact O-N 3.16Å; A418-F422 PolarHBondContact O-N 3.23Å
419	Q	35.5	Very low	29.4	Very low	126 Å²	126	122.9 Å²	122.9	59%	0.589	64%	0.638	S	S	*	*	H	α-helix	trans	-74.1	-34.9	-176.3	-153	145.3	-6.6	0	0	112.7	H421	Q419-H421 VanDerWaalsContact C-N 3.26Å; Q419-H421 PolarHBondContact O-N 3.1Å
420	R	31.4	Very low	29.7	Very low	204 Å²	204	117.3 Å²	117.3	77%	0.77	62%	0.62	S	S	*	*	H	α-helix	trans	-70.8	-23	169.7	-66.9	-174.9	-165.8	156.8	4.2	112.4	R424	R420-R424 WeakPolarHBondContact O-CB 3.43Å; R420-R424 PolarHBondContact O-N 2.84Å
421	H	32.6	Very low	29.7	Very low	103 Å²	103	114.6 Å²	114.6	48%	0.477	61%	0.609	S	S	.	*	H	α-helix	trans	-80.2	-36.9	176.4	-111.8	80.4	0	0	0	113	C417 A418 Q419 H423 R424 L425	C417-H421 PolarHBondContact O-N 2.67Å; A418-H421 PolarHBondContact O-N 2.89Å; A418-H421 VanDerWaalsContact O-N 3.16Å; Q419-H421 VanDerWaalsContact C-N 3.26Å; Q419-H421 PolarHBondContact O-N 3.1Å; H421-H423 PolarHBondContact O-N 3Å; H421-R424 PolarHBondContact O-N 3.31Å; H421-L425 WeakPolarHBondContact O-CB 3.4Å; H421-L425 PolarHBondContact O-N 3.07Å
422	F	31.7	Very low	29.6	Very low	123 Å²	123	115.6 Å²	115.6	54%	0.539	61%	0.612	S	S	.	*	H	α-helix	trans	-62.8	-42.7	177.5	-154.2	-96.6	0	0	0	111.5	A418 L425 T426	A418-F422 PolarHBondContact O-N 3.23Å; F422-L425 PolarHBondContact O-N 3.41Å; F422-T426 PolarHBondContact O-N 2.87Å; F422-T426 PolarHBondContact O-OG1 2.85Å
423	H	31.2	Very low	29.9	Very low	146 Å²	146	110.2 Å²	110.2	68%	0.676	59%	0.593	S	S	*	*	H	α-helix	trans	-74.7	-28.7	177.6	-145.7	-61.6	0	0	0	113.5	H421	H421-H423 PolarHBondContact O-N 3Å
424	R	25.9	Very low	29.6	Very low	176 Å²	176	114.4 Å²	114.4	66%	0.664	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-33.8	171.4	-93.1	-177	172.4	174.4	-1.8	112.1	R420 H421 V427 V428	R420-R424 WeakPolarHBondContact O-CB 3.43Å; R420-R424 PolarHBondContact O-N 2.84Å; H421-R424 PolarHBondContact O-N 3.31Å; R424-V427 PolarHBondContact O-N 3.32Å; R424-V428 VanDerWaalsContact O-CB 3.29Å; R424-V428 WeakPolarHBondContact O-CB 3.39Å; R424-V428 VanDerWaalsContact O-CG2 3.24Å; R424-V428 WeakPolarHBondContact O-CG2 3.23Å; R424-V428 PolarHBondContact O-N 3.13Å
425	L	34.7	Very low	29.7	Very low	60 Å²	60	116 Å²	116	31%	0.314	60%	0.604	S	S	.	*	H	α-helix	trans	-80.5	-26.4	-179.4	-79.5	160.2	0	0	0	113.8	H421 F422 V427	H421-L425 WeakPolarHBondContact O-CB 3.4Å; H421-L425 PolarHBondContact O-N 3.07Å; F422-L425 PolarHBondContact O-N 3.41Å; L425-V427 PolarHBondContact O-N 3.47Å
426	T	32	Very low	29.4	Very low	73 Å²	73	111.2 Å²	111.2	45%	0.448	60%	0.597	S	S	.	*	H	α-helix	trans	-61.5	-26.1	168.7	-32.9	0	0	0	0	111.6	F422	F422-T426 PolarHBondContact O-N 2.87Å; F422-T426 PolarHBondContact O-OG1 2.85Å
427	V	26.5	Very low	29.4	Very low	88 Å²	88	115.9 Å²	115.9	53%	0.533	61%	0.609	S	S	.	*	H	α-helix	trans	-102.5	-33.9	-178.3	-175.9	0	0	0	0	113.1	R424 L425 A431	R424-V427 PolarHBondContact O-N 3.32Å; L425-V427 PolarHBondContact O-N 3.47Å; V427-A431 WeakPolarHBondContact O-CB 3.14Å
428	V	28.2	Very low	29.2	Very low	114 Å²	114	119.1 Å²	119.1	69%	0.691	62%	0.615	S	S	*	*	H	α-helix	trans	-97	-11.2	-165.8	-179	0	0	0	0	115.4	R424	R424-V428 VanDerWaalsContact O-CB 3.29Å; R424-V428 WeakPolarHBondContact O-CB 3.39Å; R424-V428 VanDerWaalsContact O-CG2 3.24Å; R424-V428 WeakPolarHBondContact O-CG2 3.23Å; R424-V428 PolarHBondContact O-N 3.13Å
429	S	29.8	Very low	29.2	Very low	83 Å²	83	124.4 Å²	124.4	58%	0.58	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-2.3	176.4	-166.3	0	0	0	0	116.5
430	F	31.1	Very low	28.9	Very low	124 Å²	124	123.8 Å²	123.8	54%	0.544	64%	0.643	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.6	-10.2	172.2	-69.8	-81	0	0	0	113.3	T432 I433	F430-T432 PolarHBondContact O-N 3.34Å; F430-I433 HydrophobicContact CD1-CD1 4.32Å; F430-I433 PolarHBondContact O-N 2.82Å; F430-I433 VanDerWaalsContact O-N 3.08Å
431	A	26.6	Very low	28.7	Very low	65 Å²	65	122.7 Å²	122.7	54%	0.537	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-3.1	-178.1	0	0	0	0	0	115.5	V427 I433	V427-A431 WeakPolarHBondContact O-CB 3.14Å; A431-I433 VanDerWaalsContact C-N 3.28Å
432	T	26	Very low	28.8	Very low	138 Å²	138	120.5 Å²	120.5	85%	0.847	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	3	167.5	-26.9	0	0	0	0	112.7	F430	F430-T432 PolarHBondContact O-N 3.34Å
433	I	29.6	Very low	28.9	Very low	100 Å²	100	122.4 Å²	122.4	51%	0.513	66%	0.662	S	S	.	*			trans	-101.6	77.7	170.7	-51	175.9	0	0	0	107	F430 A431 I435	F430-I433 HydrophobicContact CD1-CD1 4.32Å; F430-I433 PolarHBondContact O-N 2.82Å; F430-I433 VanDerWaalsContact O-N 3.08Å; A431-I433 VanDerWaalsContact C-N 3.28Å; I433-I435 HydrophobicContact CG2-CG1 4.25Å; I433-I435 PolarHBondContact O-N 2.94Å
434	Q	24.3	Very low	29.1	Very low	188 Å²	188	118.9 Å²	118.9	88%	0.879	65%	0.653	S	S	*	*			trans	-73.5	116.8	165	-76.2	-158.8	-42	0	0	108.4
435	I	28.4	Very low	29.9	Very low	144 Å²	144	116 Å²	116	74%	0.738	66%	0.657	S	S	*	*			trans	-86.4	112.1	-178.5	-59.3	167.9	0	0	0	107.2	I433	I433-I435 HydrophobicContact CG2-CG1 4.25Å; I433-I435 PolarHBondContact O-N 2.94Å
436	S	24.5	Very low	30	Very low	79 Å²	79	121.5 Å²	121.5	55%	0.552	68%	0.682	S	S	*	*			trans	-97.7	116.9	165.6	54.2	0	0	0	0	109.3	H438	S436-H438 PolarHBondContact O-N 3.25Å; S436-H438 VanDerWaalsContact O-N 3.08Å
437	D	28.9	Very low	30.9	Very low	153 Å²	153	120.5 Å²	120.5	82%	0.818	68%	0.675	S	S	*	*			trans	-77.2	19	-174.2	-120.6	-6	0	0	0	114.4
438	H	25.4	Very low	32	Very low	158 Å²	158	122.2 Å²	122.2	73%	0.731	69%	0.686	S	S	*	*			trans	-113.6	97	-178.5	-66	-54.8	0	0	0	110.1	S436	S436-H438 PolarHBondContact O-N 3.25Å; S436-H438 VanDerWaalsContact O-N 3.08Å
439	L	29.8	Very low	33.2	Very low	168 Å²	168	118.2 Å²	118.2	88%	0.88	66%	0.663	S	S	*	*			trans	-172.9	97.1	144.7	-96.9	140.3	0	0	0	109.6
440	C	29	Very low	34.5	Very low	113 Å²	113	125.4 Å²	125.4	76%	0.764	68%	0.678	S	S	*	*			trans	-71.9	148.5	173.6	-53.9	0	0	0	0	111.1
441	Q	26.9	Very low	35.8	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	67%	0.67	S	S	*	*			trans	35.6	93.8	151.7	-69.5	171.1	-23	0	0	117.6
442	A	33.6	Very low	37.2	Very low	57 Å²	57	123.4 Å²	123.4	47%	0.471	67%	0.665	S	S	.	*			trans	-104	92.1	160	0	0	0	0	0	109	S444 Y480	A442-S444 VanDerWaalsContact C-N 3.28Å; A442-Y480 WeakPolarHBondContact CB-OH 3.34Å
443	D	33.9	Very low	38.6	Very low	163 Å²	163	121.8 Å²	121.8	87%	0.872	65%	0.651	S	S	*	*			trans	-90.4	21	170.9	-82.3	-29.7	0	0	0	112.4
444	S	37.1	Very low	40	Very low	72 Å²	72	119.7 Å²	119.7	50%	0.503	64%	0.639	S	S	.	*			trans	-133.1	122.2	171.3	64	0	0	0	0	112.2	A442 E446	A442-S444 VanDerWaalsContact C-N 3.28Å; S444-E446 PolarHBondContact O-N 3.17Å
445	P	41.2	Very low	41.7	Very low	115 Å²	115	111.9 Å²	111.9	75%	0.747	60%	0.602	S	S	*	*	S	Bend	trans	-77.6	2.7	-179	28.7	-31.5	0	0	0	114.4	T447	P445-T447 VanDerWaalsContact C-N 3.31Å; P445-T447 PolarHBondContact O-N 3.03Å
446	E	38.2	Very low	43.1	Very low	176 Å²	176	105.7 Å²	105.7	82%	0.822	57%	0.571	S	S	*	*			trans	-93.6	39.5	-176.2	-65.1	173.9	172.9	0	0	112.9	S444 T448	S444-E446 PolarHBondContact O-N 3.17Å; E446-T448 PolarHBondContact O-N 3.09Å; E446-T448 VanDerWaalsContact O-N 3.12Å
447	T	49	Very low	44.7	Very low	52 Å²	52	106.5 Å²	106.5	32%	0.319	57%	0.566	S	S	.	*			trans	-78.6	100.9	178.9	-17.9	0	0	0	0	109.7	P445 C449	P445-T447 VanDerWaalsContact C-N 3.31Å; P445-T447 PolarHBondContact O-N 3.03Å; T447-C449 PolarHBondContact O-N 2.88Å
448	T	51	Low	46	Very low	124 Å²	124	100 Å²	100	76%	0.761	53%	0.531	S	S	*	.			trans	-69.1	97.6	168.2	-57.9	0	0	0	0	108.3	E446 R450	E446-T448 PolarHBondContact O-N 3.09Å; E446-T448 VanDerWaalsContact O-N 3.12Å; T448-R450 PolarHBondContact O-N 2.94Å
449	C	52.7	Low	47.7	Very low	31 Å²	31	94.4 Å²	94.4	21%	0.209	50%	0.504	C	S	.	.			trans	-64.4	121.8	176	-62.9	0	0	0	0	109.3	T447 E454 F455	T447-C449 PolarHBondContact O-N 2.88Å; C449-E454 HydrophobicContact CB-CB 4.41Å; C449-E454 HydrophobicContact CB-CG 4.23Å; C449-F455 HydrophobicContact CB-CB 3.91Å; C449-F455 HydrophobicContact CB-CD2 4.33Å
450	R	58	Low	49.1	Very low	233 Å²	233	87.5 Å²	87.5	88%	0.879	47%	0.468	S	S	*	.			trans	-84.4	-18.9	-177.5	-61.3	-179.3	-179.5	-179.8	0.5	112.6	T448 E454	T448-R450 PolarHBondContact O-N 2.94Å; R450-E454 PolarHBondContact N-OE2 3.46Å
451	S	56.9	Low	50.7	Low	56 Å²	56	83.5 Å²	83.5	39%	0.392	44%	0.44	S	S	.	.	S	Bend	trans	-136.1	157.7	-178.9	68.9	0	0	0	0	112.3	D453 E454 F455	S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 2.97Å; S451-E454 PolarHBondContact O-N 2.9Å; S451-E454 VanDerWaalsContact OG-CB 3.28Å; S451-E454 WeakPolarHBondContact OG-CB 3.5Å; S451-E454 PolarHBondContact OG-N 2.84Å; S451-E454 VanDerWaalsContact OG-N 3.1Å; S451-F455 PolarHBondContact O-N 3.46Å
452	E	57.1	Low	52.3	Low	92 Å²	92	76.1 Å²	76.1	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-38.9	173.1	-174.4	-179.1	168.7	0	0	111.3	F455 L456 M489	E452-F455 PolarHBondContact O-N 2.75Å; E452-L456 HydrophobicContact CG-CD1 4.02Å; E452-L456 HydrophobicContact CG-CG 4.48Å; E452-L456 WeakPolarHBondContact O-CB 3.4Å; E452-L456 VanDerWaalsContact O-CG 3.3Å; E452-L456 WeakPolarHBondContact O-CG 3.35Å; E452-L456 PolarHBondContact O-N 2.78Å; E452-M489 HydrophobicContact CG-CE 4.1Å; E452-M489 WeakPolarHBondContact OE1-CB 3.43Å; E452-M489 VanDerWaalsContact OE1-O 3.07Å
453	D	55.6	Low	53.4	Low	103 Å²	103	78.2 Å²	78.2	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-64.5	-43.8	177.8	-67.2	-40.1	0	0	0	111.4	S451 L456 Q457	S451-D453 VanDerWaalsContact C-N 3.26Å; S451-D453 PolarHBondContact O-N 2.97Å; D453-L456 PolarHBondContact O-N 3Å; D453-Q457 WeakPolarHBondContact O-CB 3.05Å; D453-Q457 WeakPolarHBondContact O-CG 2.84Å; D453-Q457 PolarHBondContact O-N 3.5Å
454	E	59.1	Low	54.3	Low	56 Å²	56	76 Å²	76	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-42.1	175.1	-174.3	-177	179.4	0	0	111.5	C449 R450 S451 Q457 T458	C449-E454 HydrophobicContact CB-CB 4.41Å; C449-E454 HydrophobicContact CB-CG 4.23Å; R450-E454 PolarHBondContact N-OE2 3.46Å; S451-E454 PolarHBondContact O-N 2.9Å; S451-E454 VanDerWaalsContact OG-CB 3.28Å; S451-E454 WeakPolarHBondContact OG-CB 3.5Å; S451-E454 PolarHBondContact OG-N 2.84Å; S451-E454 VanDerWaalsContact OG-N 3.1Å; E454-Q457 PolarHBondContact O-N 2.85Å; E454-T458 VanDerWaalsContact O-CB 3.29Å; E454-T458 WeakPolarHBondContact O-CB 3.39Å; E454-T458 PolarHBondContact O-N 2.78Å; E454-T458 PolarHBondContact O-OG1 3.48Å
455	F	59.9	Low	55.1	Low	24 Å²	24	76.3 Å²	76.3	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-45.8	176.2	-178.3	-92.3	0	0	0	111.9	C449 S451 E452 Q457 T458 Y459 V461 Y495 A497	C449-F455 HydrophobicContact CB-CB 3.91Å; C449-F455 HydrophobicContact CB-CD2 4.33Å; S451-F455 PolarHBondContact O-N 3.46Å; E452-F455 PolarHBondContact O-N 2.75Å; F455-Q457 VanDerWaalsContact C-N 3.3Å; F455-Q457 PolarHBondContact O-N 3.14Å; F455-T458 PolarHBondContact O-N 3.24Å; F455-Y459 AromaticContact CD2-CD2 3.59Å; F455-Y459 HydrophobicContact CD2-CD2 3.59Å; F455-Y459 HydrophobicContact CD2-CE2 4.07Å; F455-Y459 AromaticContact CE2-CD2 3.54Å; F455-Y459 HydrophobicContact CE2-CD2 3.54Å; F455-Y459 HydrophobicContact CE2-CE2 4.04Å; F455-Y459 HydrophobicContact CE2-CG 4.18Å; F455-Y459 HydrophobicContact CG-CD2 4.24Å; F455-Y459 HydrophobicContact CZ-CD2 4.14Å; F455-Y459 HydrophobicContact CZ-CG 4.37Å; F455-Y459 PolarHBondContact O-N 3.41Å; F455-V461 HydrophobicContact CE1-CG2 3.99Å; F455-V461 HydrophobicContact CZ-CG2 4.5Å; F455-Y495 HydrophobicContact CE1-CD1 4.21Å; F455-Y495 HydrophobicContact CE1-CG 4.14Å; F455-Y495 HydrophobicContact CZ-CD1 4.41Å; F455-Y495 HydrophobicContact CZ-CG 4.24Å; F455-A497 HydrophobicContact CE2-CB 4.25Å
456	L	57.5	Low	55.8	Low	15 Å²	15	73.3 Å²	73.3	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-70.9	-25	178.3	-69.4	174.1	0	0	0	113	E452 D453 M489	E452-L456 HydrophobicContact CG-CD1 4.02Å; E452-L456 HydrophobicContact CG-CG 4.48Å; E452-L456 WeakPolarHBondContact O-CB 3.4Å; E452-L456 VanDerWaalsContact O-CG 3.3Å; E452-L456 WeakPolarHBondContact O-CG 3.35Å; E452-L456 PolarHBondContact O-N 2.78Å; D453-L456 PolarHBondContact O-N 3Å; L456-M489 HydrophobicContact CD1-CE 4.42Å; L456-M489 HydrophobicContact CD2-CE 3.89Å; L456-M489 HydrophobicContact CD2-SD 4.01Å; L456-M489 HydrophobicContact CG-CE 4.24Å
457	Q	57.2	Low	56.8	Low	96 Å²	96	69.4 Å²	69.4	45%	0.449	35%	0.35	S	S	.	.	H	α-helix	trans	-73.3	-36.4	170.7	-75.2	169.7	18.2	0	0	111.8	D453 E454 F455 F483	D453-Q457 WeakPolarHBondContact O-CB 3.05Å; D453-Q457 WeakPolarHBondContact O-CG 2.84Å; D453-Q457 PolarHBondContact O-N 3.5Å; E454-Q457 PolarHBondContact O-N 2.85Å; F455-Q457 VanDerWaalsContact C-N 3.3Å; F455-Q457 PolarHBondContact O-N 3.14Å; Q457-F483 HydrophobicContact CG-CD1 4.5Å; Q457-F483 HydrophobicContact CG-CE1 4.33Å
458	T	57.8	Low	57.1	Low	15 Å²	15	68 Å²	68	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-86	-34.6	-175.1	-53.4	0	0	0	0	112.9	E454 F455 Y480 A481	E454-T458 VanDerWaalsContact O-CB 3.29Å; E454-T458 WeakPolarHBondContact O-CB 3.39Å; E454-T458 PolarHBondContact O-N 2.78Å; E454-T458 PolarHBondContact O-OG1 3.48Å; F455-T458 PolarHBondContact O-N 3.24Å; T458-Y480 HydrophobicContact CG2-CD2 4.05Å; T458-Y480 HydrophobicContact CG2-CE2 3.36Å; T458-Y480 CarbonylContact O-C 3.48Å; T458-Y480 WeakPolarHBondContact O-CA 3.32Å; T458-A481 PolarHBondContact O-N 3.13Å
459	Y	59.8	Low	57.1	Low	42 Å²	42	65.5 Å²	65.5	17%	0.165	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.9	-173.3	-61.3	-78.8	0	0	0	112.7	F455 Y480 A497	F455-Y459 AromaticContact CD2-CD2 3.59Å; F455-Y459 HydrophobicContact CD2-CD2 3.59Å; F455-Y459 HydrophobicContact CD2-CE2 4.07Å; F455-Y459 AromaticContact CE2-CD2 3.54Å; F455-Y459 HydrophobicContact CE2-CD2 3.54Å; F455-Y459 HydrophobicContact CE2-CE2 4.04Å; F455-Y459 HydrophobicContact CE2-CG 4.18Å; F455-Y459 HydrophobicContact CG-CD2 4.24Å; F455-Y459 HydrophobicContact CZ-CD2 4.14Å; F455-Y459 HydrophobicContact CZ-CG 4.37Å; F455-Y459 PolarHBondContact O-N 3.41Å; Y459-Y480 HydrophobicContact CE1-CD2 4.41Å; Y459-A497 HydrophobicContact CD1-CB 4.5Å; Y459-A497 HydrophobicContact CE1-CB 3.97Å; Y459-A497 HydrophobicContact CE2-CB 4.05Å
460	Q	60.6	Low	56.8	Low	23 Å²	23	66 Å²	66	11%	0.107	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.7	172.1	-175.9	171	27.1	0	0	107.9	S368 V370 F462 G478 N479 A481	S368-Q460 PolarHBondContact O-NE2 3.15Å; V370-Q460 PolarHBondContact O-NE2 3.38Å; Q460-F462 HydrophobicContact CG-CE1 4.46Å; Q460-F462 HydrophobicContact CG-CZ 4.48Å; Q460-G478 CarbonylContact O-C 3.53Å; Q460-G478 WeakPolarHBondContact O-CA 3.42Å; Q460-N479 PolarHBondContact N-O 3.44Å; Q460-N479 PolarHBondContact O-N 3.02Å; Q460-A481 HydrophobicContact CB-CB 3.78Å
461	V	62.1	Low	56.1	Low	29 Å²	29	57.8 Å²	57.8	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.4	179.1	-175.7	0	0	0	0	110.1	F455 M463 Y476	F455-V461 HydrophobicContact CE1-CG2 3.99Å; F455-V461 HydrophobicContact CZ-CG2 4.5Å; V461-M463 HydrophobicContact CG1-CG 4.3Å; V461-M463 PolarHBondContact O-N 3.22Å; V461-M463 VanDerWaalsContact O-N 3.16Å; V461-Y476 HydrophobicContact CG1-CD2 4.02Å; V461-Y476 HydrophobicContact CG1-CG 3.85Å
462	F	59.3	Low	55.5	Low	24 Å²	24	61 Å²	61	11%	0.105	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	84.9	174.7	-56.9	-79.9	0	0	0	109.9	S368 Q460 D464 D465 S477 N479	S368-F462 WeakPolarHBondContact O-CE1 3.44Å; Q460-F462 HydrophobicContact CG-CE1 4.46Å; Q460-F462 HydrophobicContact CG-CZ 4.48Å; F462-D464 PolarHBondContact O-N 3.21Å; F462-D464 VanDerWaalsContact O-N 3.1Å; F462-D465 HydrophobicContact CB-CB 3.9Å; F462-D465 CarbonylContact O-C 3.32Å; F462-D465 PolarHBondContact O-N 2.89Å; F462-S477 WeakPolarHBondContact CD2-O 3.43Å; F462-S477 WeakPolarHBondContact CD2-OG 3.42Å; F462-S477 PolarHBondContact N-O 3.23Å; F462-N479 HydrophobicContact CE2-CB 3.87Å; F462-N479 VanDerWaalsContact CE2-CG 3.46Å; F462-N479 HydrophobicContact CZ-CB 4.06Å; F462-N479 VanDerWaalsContact CZ-ND2 3.34Å; F462-N479 WeakPolarHBondContact CZ-ND2 3.07Å
463	M	58.3	Low	55.3	Low	101 Å²	101	58.3 Å²	58.3	50%	0.498	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-24	-178.6	-67.6	-162.9	175.2	0	0	114.5	V461 D465 Y476 M489	V461-M463 HydrophobicContact CG1-CG 4.3Å; V461-M463 PolarHBondContact O-N 3.22Å; V461-M463 VanDerWaalsContact O-N 3.16Å; M463-D465 VanDerWaalsContact C-N 3.33Å; M463-Y476 HydrophobicContact CB-CE1 4.31Å; M463-Y476 HydrophobicContact CG-CE1 4.5Å; M463-M489 HydrophobicContact CE-CG 4.13Å; M463-M489 HydrophobicContact CE-SD 4.03Å
464	D	51.9	Low	55.3	Low	116 Å²	116	55.5 Å²	55.5	62%	0.62	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	-18.8	174.5	-72.5	-45.2	0	0	0	112.7	K348 F462	K348-D464 IonicContact NZ-OD1 3.01Å; K348-D464 PolarHBondContact NZ-OD1 3.18Å; K348-D464 IonicContact NZ-OD2 3.43Å; F462-D464 PolarHBondContact O-N 3.21Å; F462-D464 VanDerWaalsContact O-N 3.1Å
465	D	54.6	Low	55.5	Low	80 Å²	80	56.1 Å²	56.1	43%	0.428	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	67.7	-178.6	-168.8	29.6	0	0	0	110.7	F462 M463 I467 S477	F462-D465 HydrophobicContact CB-CB 3.9Å; F462-D465 CarbonylContact O-C 3.32Å; F462-D465 PolarHBondContact O-N 2.89Å; M463-D465 VanDerWaalsContact C-N 3.33Å; D465-I467 PolarHBondContact O-N 2.83Å; D465-S477 WeakPolarHBondContact CB-OG 3.48Å; D465-S477 VanDerWaalsContact CG-OG 3.26Å; D465-S477 PolarHBondContact O-N 2.87Å; D465-S477 VanDerWaalsContact OD2-CB 3.25Å; D465-S477 WeakPolarHBondContact OD2-CB 3.23Å; D465-S477 PolarHBondContact OD2-OG 2.7Å
466	M	56.1	Low	55.6	Low	52 Å²	52	58.6 Å²	58.6	26%	0.256	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	109.4	175.1	-179.9	-171.3	123.1	0	0	110	K313 I474 Y476	K313-M466 HydrophobicContact CD-CE 4.5Å; K313-M466 VanDerWaalsContact CE-CE 3.5Å; K313-M466 HydrophobicContact CG-CE 4.2Å; K313-M466 HydrophobicContact CG-SD 4.25Å; M466-I474 HydrophobicContact CG-CG2 3.63Å; M466-I474 HydrophobicContact SD-CG2 4Å; M466-Y476 HydrophobicContact CB-CD1 4.42Å; M466-Y476 HydrophobicContact CB-CE1 4.48Å
467	I	58.6	Low	55.8	Low	93 Å²	93	58.2 Å²	58.2	48%	0.477	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-42.4	177.4	-58.1	173.5	0	0	0	110	D465 V475 K500	D465-I467 PolarHBondContact O-N 2.83Å; I467-V475 HydrophobicContact CB-CB 4.45Å; I467-V475 HydrophobicContact CB-CG1 4.13Å; I467-V475 HydrophobicContact CD1-CG1 4.37Å; I467-V475 PolarHBondContact N-O 3.3Å; I467-K500 HydrophobicContact CD1-CD 4.33Å; I467-K500 HydrophobicContact CD1-CG 4.49Å
468	G	54	Low	55.8	Low	22 Å²	22	55.4 Å²	55.4	23%	0.227	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	168	-176.1	0	0	0	0	0	113.5	V475	G468-V475 PolarHBondContact N-O 3.27Å; G468-V475 PolarHBondContact O-N 3.08Å
469	S	52.7	Low	55.9	Low	73 Å²	73	57.7 Å²	57.7	51%	0.51	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	123.7	173.6	59.4	0	0	0	0	109.8
470	G	45.5	Very low	55.6	Low	40 Å²	40	61.4 Å²	61.4	41%	0.412	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	-168.9	-175.5	0	0	0	0	0	112.8	F472 G473	G470-F472 PolarHBondContact O-N 2.79Å; G470-G473 PolarHBondContact N-O 3.02Å; G470-G473 PolarHBondContact O-N 2.94Å
471	Q	42.6	Very low	54.9	Low	61 Å²	61	60.5 Å²	60.5	29%	0.285	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.1	179.8	73.6	-174.5	-9.2	0	0	113.9	R308 F569	R308-Q471 HydrophobicContact CG-CB 4.19Å; Q471-F569 VanDerWaalsContact NE2-CE2 3.3Å
472	F	45.1	Very low	53.8	Low	125 Å²	125	68.9 Å²	68.9	55%	0.548	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-8.5	-178.4	-58.5	-72.2	0	0	0	114.3	G470 D566 G568	G470-F472 PolarHBondContact O-N 2.79Å; F472-D566 WeakPolarHBondContact CE2-OD1 3.47Å; F472-G568 WeakPolarHBondContact CZ-O 3.35Å
473	G	52.2	Low	52.5	Low	34 Å²	34	73.4 Å²	73.4	35%	0.351	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-165.9	-179.7	0	0	0	0	0	113.8	G470	G470-G473 PolarHBondContact N-O 3.02Å; G470-G473 PolarHBondContact O-N 2.94Å
474	I	56.4	Low	51.4	Low	44 Å²	44	73.2 Å²	73.2	23%	0.226	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.4	176.1	-58.3	173.6	0	0	0	107.8	M311 M466 Y476	M311-I474 HydrophobicContact CB-CD1 3.9Å; M311-I474 HydrophobicContact CG-CD1 3.83Å; M311-I474 HydrophobicContact SD-CD1 3.31Å; M311-I474 WeakPolarHBondContact SD-CD1 3.23Å; M466-I474 HydrophobicContact CG-CG2 3.63Å; M466-I474 HydrophobicContact SD-CG2 4Å; I474-Y476 HydrophobicContact CB-CD2 4.39Å; I474-Y476 HydrophobicContact CB-CE2 3.68Å; I474-Y476 WeakPolarHBondContact CD1-OH 3.38Å; I474-Y476 HydrophobicContact CG2-CD1 4.15Å; I474-Y476 HydrophobicContact CG2-CD2 4.09Å; I474-Y476 HydrophobicContact CG2-CE1 3.63Å; I474-Y476 HydrophobicContact CG2-CE2 3.57Å; I474-Y476 HydrophobicContact CG2-CG 4.37Å
475	V	62.4	Low	50.2	Low	69 Å²	69	72 Å²	72	42%	0.418	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.9	175.6	-172.5	0	0	0	0	107.4	I467 G468	I467-V475 HydrophobicContact CB-CB 4.45Å; I467-V475 HydrophobicContact CB-CG1 4.13Å; I467-V475 HydrophobicContact CD1-CG1 4.37Å; I467-V475 PolarHBondContact N-O 3.3Å; G468-V475 PolarHBondContact N-O 3.27Å; G468-V475 PolarHBondContact O-N 3.08Å
476	Y	63.6	Low	49.1	Very low	77 Å²	77	73.2 Å²	73.2	30%	0.302	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149	173.1	-60.9	-77.7	0	0	0	109	V461 M463 M466 I474	V461-Y476 HydrophobicContact CG1-CD2 4.02Å; V461-Y476 HydrophobicContact CG1-CG 3.85Å; M463-Y476 HydrophobicContact CB-CE1 4.31Å; M463-Y476 HydrophobicContact CG-CE1 4.5Å; M466-Y476 HydrophobicContact CB-CD1 4.42Å; M466-Y476 HydrophobicContact CB-CE1 4.48Å; I474-Y476 HydrophobicContact CB-CD2 4.39Å; I474-Y476 HydrophobicContact CB-CE2 3.68Å; I474-Y476 WeakPolarHBondContact CD1-OH 3.38Å; I474-Y476 HydrophobicContact CG2-CD1 4.15Å; I474-Y476 HydrophobicContact CG2-CD2 4.09Å; I474-Y476 HydrophobicContact CG2-CE1 3.63Å; I474-Y476 HydrophobicContact CG2-CE2 3.57Å; I474-Y476 HydrophobicContact CG2-CG 4.37Å
477	S	60.1	Low	47.8	Very low	6 Å²	6	79.9 Å²	79.9	4%	0.042	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.8	161.4	77.6	0	0	0	0	109.1	F462 D465	F462-S477 WeakPolarHBondContact CD2-O 3.43Å; F462-S477 WeakPolarHBondContact CD2-OG 3.42Å; F462-S477 PolarHBondContact N-O 3.23Å; D465-S477 WeakPolarHBondContact CB-OG 3.48Å; D465-S477 VanDerWaalsContact CG-OG 3.26Å; D465-S477 PolarHBondContact O-N 2.87Å; D465-S477 VanDerWaalsContact OD2-CB 3.25Å; D465-S477 WeakPolarHBondContact OD2-CB 3.23Å; D465-S477 PolarHBondContact OD2-OG 2.7Å
478	G	57.6	Low	46.7	Very low	37 Å²	37	78 Å²	78	38%	0.381	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.4	172.8	0	0	0	0	0	110.6	Q460	Q460-G478 CarbonylContact O-C 3.53Å; Q460-G478 WeakPolarHBondContact O-CA 3.42Å
479	N	61	Low	45.9	Very low	64 Å²	64	78.1 Å²	78.1	34%	0.342	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	158	167.4	-76.1	-10.7	0	0	0	108.5	Q460 F462 A481	Q460-N479 PolarHBondContact N-O 3.44Å; Q460-N479 PolarHBondContact O-N 3.02Å; F462-N479 HydrophobicContact CE2-CB 3.87Å; F462-N479 VanDerWaalsContact CE2-CG 3.46Å; F462-N479 HydrophobicContact CZ-CB 4.06Å; F462-N479 VanDerWaalsContact CZ-ND2 3.34Å; F462-N479 WeakPolarHBondContact CZ-ND2 3.07Å; N479-A481 PolarHBondContact O-N 2.8Å
480	Y	54	Low	45.2	Very low	120 Å²	120	82.5 Å²	82.5	47%	0.471	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	111.7	163	-161.6	-89.9	0	0	0	107.8	A442 T458 Y459	A442-Y480 WeakPolarHBondContact CB-OH 3.34Å; T458-Y480 HydrophobicContact CG2-CD2 4.05Å; T458-Y480 HydrophobicContact CG2-CE2 3.36Å; T458-Y480 CarbonylContact O-C 3.48Å; T458-Y480 WeakPolarHBondContact O-CA 3.32Å; Y459-Y480 HydrophobicContact CE1-CD2 4.41Å
481	A	45.8	Very low	44.8	Very low	3 Å²	3	90.9 Å²	90.9	3%	0.025	45%	0.448	C	S	.	.			trans	-73.2	141.3	177.5	0	0	0	0	0	109	T458 Q460 N479	T458-A481 PolarHBondContact O-N 3.13Å; Q460-A481 HydrophobicContact CB-CB 3.78Å; N479-A481 PolarHBondContact O-N 2.8Å
482	R	38.6	Very low	44.9	Very low	206 Å²	206	96.9 Å²	96.9	78%	0.777	48%	0.48	S	S	*	.	S	Bend	trans	-103.7	62.3	150.3	-72.7	-171.9	178.1	-177.4	0.6	108.5
483	F	31.5	Very low	45.2	Very low	118 Å²	118	94.2 Å²	94.2	52%	0.518	48%	0.477	S	S	.	.			trans	87	126.4	-177.8	-62.3	-90.4	0	0	0	118.4	Q457	Q457-F483 HydrophobicContact CG-CD1 4.5Å; Q457-F483 HydrophobicContact CG-CE1 4.33Å
484	Y	34.3	Very low	45.3	Very low	97 Å²	97	100.1 Å²	100.1	38%	0.38	50%	0.499	S	S	.	.				-159.3	130.9	126.1	-101.5	-77.7	0	0	0	109.3	L486	Y484-L486 PolarHBondContact O-N 2.82Å
485	S	27.9	Very low	45.6	Very low	90 Å²	90	102.3 Å²	102.3	63%	0.629	51%	0.505	S	S	*	.			trans	-78.4	107.6	164.8	174.6	0	0	0	0	109
486	L	30.9	Very low	45.6	Very low	107 Å²	107	105.2 Å²	105.2	56%	0.56	52%	0.517	S	S	*	.			trans	-93.9	98.1	164.5	-86.9	162.7	0	0	0	108.3	Y484 G488	Y484-L486 PolarHBondContact O-N 2.82Å; L486-G488 PolarHBondContact O-N 3.45Å; L486-G488 VanDerWaalsContact O-N 3.15Å
487	Q	28.2	Very low	45.6	Very low	191 Å²	191	104 Å²	104	89%	0.893	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	113.1	165	-76.2	-174.9	-19.1	0	0	109.3
488	G	35.4	Very low	46	Very low	53 Å²	53	110.2 Å²	110.2	55%	0.546	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	159.3	-3.9	172.4	0	0	0	0	0	117.4	L486 H490	L486-G488 PolarHBondContact O-N 3.45Å; L486-G488 VanDerWaalsContact O-N 3.15Å; G488-H490 VanDerWaalsContact C-N 3.28Å; G488-H490 PolarHBondContact O-CD2 3.47Å; G488-H490 PolarHBondContact O-N 2.92Å
489	M	39	Very low	47	Very low	25 Å²	25	114 Å²	114	12%	0.123	56%	0.56	C	S	.	*			trans	-78.9	75.5	176.3	-95.4	169.3	30.7	0	0	111.3	E452 L456 M463 R491 Y495	E452-M489 HydrophobicContact CG-CE 4.1Å; E452-M489 WeakPolarHBondContact OE1-CB 3.43Å; E452-M489 VanDerWaalsContact OE1-O 3.07Å; L456-M489 HydrophobicContact CD1-CE 4.42Å; L456-M489 HydrophobicContact CD2-CE 3.89Å; L456-M489 HydrophobicContact CD2-SD 4.01Å; L456-M489 HydrophobicContact CG-CE 4.24Å; M463-M489 HydrophobicContact CE-CG 4.13Å; M463-M489 HydrophobicContact CE-SD 4.03Å; M489-R491 PolarHBondContact O-N 3.42Å; M489-Y495 HydrophobicContact CE-CD1 4.39Å; M489-Y495 HydrophobicContact CE-CD2 4.14Å; M489-Y495 HydrophobicContact CE-CE1 3.66Å; M489-Y495 HydrophobicContact CE-CE2 3.35Å; M489-Y495 WeakPolarHBondContact CE-OH 3.11Å; M489-Y495 VanDerWaalsContact CG-OH 3.28Å; M489-Y495 WeakPolarHBondContact CG-OH 3.32Å; M489-Y495 HydrophobicContact SD-CE1 3.9Å; M489-Y495 PolarHBondContact SD-OH 2.98Å; M489-Y495 VanDerWaalsContact SD-OH 3.36Å
490	H	36.3	Very low	47.7	Very low	165 Å²	165	117.7 Å²	117.7	76%	0.764	57%	0.573	S	S	*	*			trans	-74.3	122.9	178.8	-71.7	-79.6	0	0	0	113	G488	G488-H490 VanDerWaalsContact C-N 3.28Å; G488-H490 PolarHBondContact O-CD2 3.47Å; G488-H490 PolarHBondContact O-N 2.92Å
491	R	38.9	Very low	49.1	Very low	217 Å²	217	113.4 Å²	113.4	82%	0.819	56%	0.558	S	S	*	*	S	Bend	trans	66.8	111.7	154	-72.3	-178.8	159.2	158.1	-4.6	118.2	M489 C493	M489-R491 PolarHBondContact O-N 3.42Å; R491-C493 PolarHBondContact O-N 2.68Å
492	L	43.9	Very low	50.9	Low	186 Å²	186	119.4 Å²	119.4	97%	0.974	58%	0.584	S	S	*	*			trans	53.3	47.5	157.6	-62.9	171.6	0	0	0	116.1
493	C	51	Low	53.2	Low	69 Å²	69	110.4 Å²	110.4	47%	0.466	56%	0.555	S	S	.	*			trans	-99.1	134.9	165.7	-65.9	0	0	0	0	109.8	R491 Y495	R491-C493 PolarHBondContact O-N 2.68Å; C493-Y495 HydrophobicContact CB-CE1 4.28Å; C493-Y495 HydrophobicContact CB-CE2 3.72Å; C493-Y495 WeakPolarHBondContact CB-OH 3.26Å; C493-Y495 WeakPolarHBondContact O-CE2 3.45Å
494	I	55.7	Low	56	Low	159 Å²	159	106.7 Å²	106.7	82%	0.815	54%	0.541	S	S	*	.			trans	-88	127.5	167.1	-61.6	173.3	0	0	0	106.8	I496	I494-I496 HydrophobicContact CG2-CG1 4.4Å
495	Y	61.3	Low	58.7	Low	90 Å²	90	102.1 Å²	102.1	35%	0.353	52%	0.523	S	S	.	.			trans	-105.4	130.4	175.6	-60.9	-83.1	0	0	0	109.1	F455 M489 C493	F455-Y495 HydrophobicContact CE1-CD1 4.21Å; F455-Y495 HydrophobicContact CE1-CG 4.14Å; F455-Y495 HydrophobicContact CZ-CD1 4.41Å; F455-Y495 HydrophobicContact CZ-CG 4.24Å; M489-Y495 HydrophobicContact CE-CD1 4.39Å; M489-Y495 HydrophobicContact CE-CD2 4.14Å; M489-Y495 HydrophobicContact CE-CE1 3.66Å; M489-Y495 HydrophobicContact CE-CE2 3.35Å; M489-Y495 WeakPolarHBondContact CE-OH 3.11Å; M489-Y495 VanDerWaalsContact CG-OH 3.28Å; M489-Y495 WeakPolarHBondContact CG-OH 3.32Å; M489-Y495 HydrophobicContact SD-CE1 3.9Å; M489-Y495 PolarHBondContact SD-OH 2.98Å; M489-Y495 VanDerWaalsContact SD-OH 3.36Å; C493-Y495 HydrophobicContact CB-CE1 4.28Å; C493-Y495 HydrophobicContact CB-CE2 3.72Å; C493-Y495 WeakPolarHBondContact CB-OH 3.26Å; C493-Y495 WeakPolarHBondContact O-CE2 3.45Å
496	I	62.3	Low	61.5	Low	130 Å²	130	100 Å²	100	67%	0.667	50%	0.504	S	S	*	.			trans	-116.8	111.3	173.2	-57.1	175.8	0	0	0	106.3	I494 M498	I494-I496 HydrophobicContact CG2-CG1 4.4Å; I496-M498 HydrophobicContact CB-CE 4.26Å; I496-M498 HydrophobicContact CG2-CE 3.67Å
497	A	64.3	Low	63.9	Low	52 Å²	52	100.3 Å²	100.3	43%	0.43	50%	0.503	S	S	.	.			trans	-85.1	130.5	168.8	0	0	0	0	0	108.7	F455 Y459	F455-A497 HydrophobicContact CE2-CB 4.25Å; Y459-A497 HydrophobicContact CD1-CB 4.5Å; Y459-A497 HydrophobicContact CE1-CB 3.97Å; Y459-A497 HydrophobicContact CE2-CB 4.05Å
498	M	68.7	Low	66.8	Low	136 Å²	136	92.4 Å²	92.4	67%	0.67	47%	0.466	S	S	*	.			trans	-139.5	160.9	179.1	61	-172.2	67	0	0	109.5	I496	I496-M498 HydrophobicContact CB-CE 4.26Å; I496-M498 HydrophobicContact CG2-CE 3.67Å
499	E	77.6	Confident	69.2	Low	115 Å²	115	90 Å²	90	54%	0.537	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-57.8	139.9	172.3	67.2	-175.4	138	0	0	110.6	L501 K563	E499-L501 HydrophobicContact CG-CD2 3.96Å; E499-L501 HydrophobicContact CG-CG 4.25Å; E499-K563 WeakPolarHBondContact OE1-CD 3.32Å; E499-K563 IonicContact OE1-NZ 3.6Å; E499-K563 PolarHBondContact OE1-NZ 3.46Å; E499-K563 IonicContact OE2-NZ 2.73Å; E499-K563 PolarHBondContact OE2-NZ 3.47Å
500	K	76.1	Confident	71.2	Confident	143 Å²	143	94.6 Å²	94.6	62%	0.622	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-85.5	117.4	173.7	-177.5	178	178.6	178.8	0	108.9	I467	I467-K500 HydrophobicContact CD1-CD 4.33Å; I467-K500 HydrophobicContact CD1-CG 4.49Å
501	L	82.6	Confident	73.4	Confident	29 Å²	29	91 Å²	91	15%	0.152	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-90.8	160.7	173.9	-59.6	-178.3	0	0	0	110.9	E499 L552 V554 K563	E499-L501 HydrophobicContact CG-CD2 3.96Å; E499-L501 HydrophobicContact CG-CG 4.25Å; L501-L552 HydrophobicContact CB-CB 4.09Å; L501-L552 HydrophobicContact CB-CD1 4.5Å; L501-L552 HydrophobicContact CD1-CB 3.29Å; L501-L552 HydrophobicContact CD1-CD1 3.71Å; L501-L552 HydrophobicContact CD1-CG 4.13Å; L501-L552 HydrophobicContact CG-CB 4.3Å; L501-L552 HydrophobicContact CG-CD1 4.49Å; L501-V554 HydrophobicContact CD2-CB 4.47Å; L501-V554 HydrophobicContact CD2-CG2 3.88Å; L501-K563 HydrophobicContact CD1-CB 4.05Å; L501-K563 HydrophobicContact CD1-CD 4.11Å; L501-K563 HydrophobicContact CD1-CG 4.44Å; L501-K563 HydrophobicContact CD2-CD 4.4Å
502	K	85.1	Confident	75.7	Confident	129 Å²	129	82.1 Å²	82.1	56%	0.561	43%	0.43	S	S	*	.	S	Bend	trans	-73.6	-38.9	-168.4	174.7	58.7	178.9	178.7	0	112.7	L553 D556	K502-L553 WeakPolarHBondContact CB-O 3.42Å; K502-L553 PolarHBondContact N-O 3.2Å; K502-D556 HydrophobicContact CG-CB 4.18Å; K502-D556 IonicContact NZ-OD2 2.68Å
503	G	86.5	Confident	77.5	Confident	17 Å²	17	82.9 Å²	82.9	18%	0.175	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-164.5	-178.4	0	0	0	0	0	110.2	L552 L553	G503-L552 CarbonylContact O-C 3.57Å; G503-L552 WeakPolarHBondContact O-CA 3.4Å; G503-L553 PolarHBondContact O-N 3.25Å
504	D	89.1	Confident	78.9	Confident	41 Å²	41	86.4 Å²	86.4	22%	0.219	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	168.5	177.5	62.6	58.5	0	0	0	112	L506 E507 M508 I551 L552	D504-L506 VanDerWaalsContact C-N 3.25Å; D504-L506 PolarHBondContact O-N 2.91Å; D504-L506 WeakPolarHBondContact OD1-CA 3.36Å; D504-L506 VanDerWaalsContact OD1-CB 3.28Å; D504-L506 WeakPolarHBondContact OD1-CB 3.4Å; D504-L506 PolarHBondContact OD1-N 3.05Å; D504-E507 PolarHBondContact O-N 2.78Å; D504-E507 PolarHBondContact OD1-N 3.4Å; D504-M508 PolarHBondContact O-N 2.75Å; D504-M508 VanDerWaalsContact O-N 3.08Å; D504-I551 CarbonylContact C-O 3.59Å; D504-I551 VanDerWaalsContact CA-O 3.31Å; D504-I551 WeakPolarHBondContact CA-O 3.24Å; D504-L552 HydrophobicContact CB-CD2 3.87Å
505	M	91.2	Very high	80.4	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-66	-28.3	-178.3	-175.1	-179.6	-179.9	0	0	111.9	M508 I509 L517 L525 I529 P548 I551 I611 A615	M505-M508 PolarHBondContact O-N 3.46Å; M505-I509 HydrophobicContact CE-CD1 4.37Å; M505-I509 HydrophobicContact CG-CD1 4.09Å; M505-I509 WeakPolarHBondContact O-CD1 3.46Å; M505-I509 VanDerWaalsContact O-CG1 3.23Å; M505-I509 WeakPolarHBondContact O-CG1 3.46Å; M505-I509 PolarHBondContact O-N 3.2Å; M505-L517 HydrophobicContact CE-CD1 4.12Å; M505-L525 HydrophobicContact CE-CB 4.24Å; M505-L525 HydrophobicContact CE-CD1 3.95Å; M505-L525 HydrophobicContact CG-CD1 4.17Å; M505-L525 HydrophobicContact SD-CD1 4.3Å; M505-I529 HydrophobicContact SD-CD1 4.34Å; M505-P548 HydrophobicContact CB-CB 4.12Å; M505-P548 WeakPolarHBondContact CB-O 3.4Å; M505-P548 HydrophobicContact CG-CB 4.28Å; M505-P548 PolarHBondContact N-O 2.82Å; M505-I551 HydrophobicContact CB-CB 3.9Å; M505-I551 HydrophobicContact CB-CG2 3.96Å; M505-I551 PolarHBondContact N-O 3.14Å; M505-I551 HydrophobicContact SD-CB 4.41Å; M505-I551 HydrophobicContact SD-CD1 3.79Å; M505-I551 HydrophobicContact SD-CG2 4.18Å; M505-I611 HydrophobicContact CE-CG2 3.97Å; M505-I611 HydrophobicContact SD-CG2 4.01Å; M505-A615 HydrophobicContact CE-CB 3.76Å
506	L	87	Confident	81.7	Confident	45 Å²	45	77.2 Å²	77.2	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-66.4	-47.8	175.4	-175	63	0	0	0	110.7	D504 M508 I509 L510 P548 E549	D504-L506 VanDerWaalsContact C-N 3.25Å; D504-L506 PolarHBondContact O-N 2.91Å; D504-L506 WeakPolarHBondContact OD1-CA 3.36Å; D504-L506 VanDerWaalsContact OD1-CB 3.28Å; D504-L506 WeakPolarHBondContact OD1-CB 3.4Å; D504-L506 PolarHBondContact OD1-N 3.05Å; L506-M508 VanDerWaalsContact C-N 3.26Å; L506-M508 PolarHBondContact O-N 3.14Å; L506-I509 PolarHBondContact O-N 3.06Å; L506-L510 HydrophobicContact CD1-CD1 4.17Å; L506-L510 HydrophobicContact CD1-CG 4.22Å; L506-L510 HydrophobicContact CD2-CD1 4.38Å; L506-L510 HydrophobicContact CG-CD1 3.88Å; L506-L510 HydrophobicContact CG-CG 4.31Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 WeakPolarHBondContact O-CG 3.42Å; L506-L510 PolarHBondContact O-N 3.17Å; L506-P548 HydrophobicContact CB-CB 3.89Å; L506-P548 HydrophobicContact CD1-CB 4.45Å; L506-P548 PolarHBondContact N-O 3.17Å; L506-E549 HydrophobicContact CB-CG 3.99Å; L506-E549 HydrophobicContact CD2-CG 3.51Å; L506-E549 HydrophobicContact CG-CG 4.37Å
507	E	81.6	Confident	83.2	Confident	114 Å²	114	71.3 Å²	71.3	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-42.7	175.3	-171.9	178.2	-173.7	0	0	110.7	D504 L510 S511	D504-E507 PolarHBondContact O-N 2.78Å; D504-E507 PolarHBondContact OD1-N 3.4Å; E507-L510 PolarHBondContact O-N 3.06Å; E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-N 2.83Å; E507-S511 PolarHBondContact O-OG 3.46Å
508	M	89.9	Confident	84.6	Confident	26 Å²	26	72.9 Å²	72.9	13%	0.128	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-46.4	175.5	-168.8	-173.4	-174.5	0	0	112.4	D504 M505 L506 S511 S512 L517 I521 L525 L553	D504-M508 PolarHBondContact O-N 2.75Å; D504-M508 VanDerWaalsContact O-N 3.08Å; M505-M508 PolarHBondContact O-N 3.46Å; L506-M508 VanDerWaalsContact C-N 3.26Å; L506-M508 PolarHBondContact O-N 3.14Å; M508-S511 PolarHBondContact O-OG 3.29Å; M508-S512 PolarHBondContact O-N 3.49Å; M508-L517 HydrophobicContact CE-CD2 4.42Å; M508-L517 HydrophobicContact CG-CD2 4.05Å; M508-L517 HydrophobicContact SD-CD2 4.38Å; M508-I521 HydrophobicContact CE-CD1 4.5Å; M508-I521 HydrophobicContact CE-CG2 3.54Å; M508-I521 HydrophobicContact SD-CG2 4.42Å; M508-L525 HydrophobicContact SD-CD1 3.88Å; M508-L553 HydrophobicContact CB-CD1 3.73Å; M508-L553 HydrophobicContact CG-CD1 4.13Å; M508-L553 HydrophobicContact SD-CD1 3.69Å
509	I	84.1	Confident	86	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-50.4	176	-69.6	160.7	0	0	0	110.7	M505 L506 S511 S512 G515 L517 P548 V614 A615	M505-I509 HydrophobicContact CE-CD1 4.37Å; M505-I509 HydrophobicContact CG-CD1 4.09Å; M505-I509 WeakPolarHBondContact O-CD1 3.46Å; M505-I509 VanDerWaalsContact O-CG1 3.23Å; M505-I509 WeakPolarHBondContact O-CG1 3.46Å; M505-I509 PolarHBondContact O-N 3.2Å; L506-I509 PolarHBondContact O-N 3.06Å; I509-S511 VanDerWaalsContact C-N 3.34Å; I509-S511 PolarHBondContact O-N 3.09Å; I509-S512 WeakPolarHBondContact O-CB 3.33Å; I509-S512 PolarHBondContact O-N 2.87Å; I509-S512 PolarHBondContact O-OG 3.46Å; I509-G515 CarbonylContact O-C 3.4Å; I509-L517 HydrophobicContact CG1-CD1 3.8Å; I509-L517 HydrophobicContact CG1-CD2 4.38Å; I509-L517 HydrophobicContact CG1-CG 3.77Å; I509-P548 HydrophobicContact CD1-CB 4.2Å; I509-P548 HydrophobicContact CD1-CG 4.34Å; I509-V614 HydrophobicContact CD1-CG1 4.33Å; I509-A615 HydrophobicContact CD1-CB 4.4Å
510	L	81.6	Confident	87	Confident	120 Å²	120	67.7 Å²	67.7	63%	0.628	34%	0.34	S	S	*	.	H	α-helix	trans	-70	-30.5	-175.4	-67.3	177.4	0	0	0	113	L506 E507 S512	L506-L510 HydrophobicContact CD1-CD1 4.17Å; L506-L510 HydrophobicContact CD1-CG 4.22Å; L506-L510 HydrophobicContact CD2-CD1 4.38Å; L506-L510 HydrophobicContact CG-CD1 3.88Å; L506-L510 HydrophobicContact CG-CG 4.31Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 WeakPolarHBondContact O-CG 3.42Å; L506-L510 PolarHBondContact O-N 3.17Å; E507-L510 PolarHBondContact O-N 3.06Å; L510-S512 VanDerWaalsContact C-N 3.31Å
511	S	83.9	Confident	88	Confident	91 Å²	91	61.6 Å²	61.6	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-77.8	-16.1	177	71.7	0	0	0	0	113.4	E507 M508 I509	E507-S511 WeakPolarHBondContact O-CB 3.49Å; E507-S511 PolarHBondContact O-N 2.83Å; E507-S511 PolarHBondContact O-OG 3.46Å; M508-S511 PolarHBondContact O-OG 3.29Å; I509-S511 VanDerWaalsContact C-N 3.34Å; I509-S511 PolarHBondContact O-N 3.09Å
512	S	85.4	Confident	88.7	Confident	29 Å²	29	60.2 Å²	60.2	20%	0.203	31%	0.306	C	S	.	.	S	Bend	trans	-66.7	146.2	-180	75.6	0	0	0	0	111.5	M508 I509 L510 K514 G515 R516	M508-S512 PolarHBondContact O-N 3.49Å; I509-S512 WeakPolarHBondContact O-CB 3.33Å; I509-S512 PolarHBondContact O-N 2.87Å; I509-S512 PolarHBondContact O-OG 3.46Å; L510-S512 VanDerWaalsContact C-N 3.31Å; S512-K514 PolarHBondContact O-N 3.13Å; S512-G515 PolarHBondContact O-N 2.71Å; S512-G515 WeakPolarHBondContact OG-CA 3.14Å; S512-G515 PolarHBondContact OG-N 2.72Å; S512-R516 PolarHBondContact OG-N 3.1Å; S512-R516 PolarHBondContact OG-O 3.23Å
513	Q	81.6	Confident	89.3	Confident	202 Å²	202	55.4 Å²	55.4	94%	0.944	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.3	-175.8	-171.4	-179.1	9.4	0	0	113.6
514	K	82.1	Confident	89.9	Confident	143 Å²	143	54.6 Å²	54.6	62%	0.622	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	4	179.9	-65.1	-171.9	177.2	-174.3	0	113.4	S512 R516	S512-K514 PolarHBondContact O-N 3.13Å; K514-R516 HydrophobicContact CB-CG 3.89Å; K514-R516 PolarHBondContact O-N 2.77Å
515	G	86.5	Confident	90.3	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	27%	0.266	S	S	.	.	S	Bend	trans	63	16.2	-171.4	0	0	0	0	0	114	I509 S512 G618	I509-G515 CarbonylContact O-C 3.4Å; S512-G515 PolarHBondContact O-N 2.71Å; S512-G515 WeakPolarHBondContact OG-CA 3.14Å; S512-G515 PolarHBondContact OG-N 2.72Å; G515-G618 VanDerWaalsContact O-CA 3.25Å; G515-G618 WeakPolarHBondContact O-CA 3.38Å
516	R	88.2	Confident	90.7	Very high	28 Å²	28	52.6 Å²	52.6	11%	0.106	27%	0.266	C	S	.	.	S	Bend	trans	-153.6	150.7	-179.1	69.3	-167.1	-178.7	82.9	-8.5	109.6	S512 K514 L616 D646	S512-R516 PolarHBondContact OG-N 3.1Å; S512-R516 PolarHBondContact OG-O 3.23Å; K514-R516 HydrophobicContact CB-CG 3.89Å; K514-R516 PolarHBondContact O-N 2.77Å; R516-L616 VanDerWaalsContact CD-O 3.29Å; R516-L616 WeakPolarHBondContact CD-O 3.5Å; R516-L616 PolarHBondContact NH1-O 3.37Å; R516-D646 IonicContact NH2-OD2 2.8Å; R516-D646 PolarHBondContact NH2-OD2 3.48Å
517	L	93.5	Very high	91.2	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.259	C	S	.	.			trans	-80.7	149.6	176.4	-57.9	178.8	0	0	0	110.5	M505 M508 I509 I521 S522 L525 A615	M505-L517 HydrophobicContact CE-CD1 4.12Å; M508-L517 HydrophobicContact CE-CD2 4.42Å; M508-L517 HydrophobicContact CG-CD2 4.05Å; M508-L517 HydrophobicContact SD-CD2 4.38Å; I509-L517 HydrophobicContact CG1-CD1 3.8Å; I509-L517 HydrophobicContact CG1-CD2 4.38Å; I509-L517 HydrophobicContact CG1-CG 3.77Å; L517-I521 HydrophobicContact CD1-CG2 4.13Å; L517-I521 HydrophobicContact CD2-CG2 4.35Å; L517-S522 VanDerWaalsContact CB-OG 3.32Å; L517-S522 WeakPolarHBondContact CB-OG 3.2Å; L517-L525 HydrophobicContact CD1-CD1 3.84Å; L517-A615 HydrophobicContact CD1-CB 4.37Å; L517-A615 PolarHBondContact N-O 2.8Å
518	N	95.3	Very high	92	Very high	84 Å²	84	46.6 Å²	46.6	45%	0.449	24%	0.235	S	C	.	.			trans	-72.5	165	168.5	67.9	46.3	0	0	0	110.3	R520 I521 S522	N518-R520 VanDerWaalsContact C-N 3.3Å; N518-R520 PolarHBondContact O-N 3.46Å; N518-R520 PolarHBondContact OD1-N 3.48Å; N518-R520 VanDerWaalsContact OD1-N 3.09Å; N518-I521 PolarHBondContact O-N 2.98Å; N518-I521 WeakPolarHBondContact OD1-CG1 3.25Å; N518-I521 PolarHBondContact OD1-N 3.32Å; N518-S522 VanDerWaalsContact O-CB 3.31Å; N518-S522 WeakPolarHBondContact O-CB 3.23Å; N518-S522 PolarHBondContact O-N 3.34Å; N518-S522 PolarHBondContact O-OG 2.57Å
519	E	97.1	Very high	92.4	Very high	38 Å²	38	45.3 Å²	45.3	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-36.1	-178.9	-83	-154.8	-144.7	0	0	114.2	S522 R523 L616 S648 W677	E519-S522 PolarHBondContact O-N 3.36Å; E519-R523 WeakPolarHBondContact O-CB 3.43Å; E519-R523 PolarHBondContact O-N 2.89Å; E519-R523 PolarHBondContact O-NH1 2.8Å; E519-R523 VanDerWaalsContact O-NH1 3.09Å; E519-R523 IonicContact OE2-CZ 3.98Å; E519-R523 IonicContact OE2-NH2 2.83Å; E519-R523 PolarHBondContact OE2-NH2 2.88Å; E519-L616 HydrophobicContact CB-CD2 4.47Å; E519-L616 HydrophobicContact CG-CD2 3.75Å; E519-S648 VanDerWaalsContact CD-OG 3.29Å; E519-S648 VanDerWaalsContact OE1-CB 3.31Å; E519-S648 WeakPolarHBondContact OE1-CB 3.45Å; E519-S648 PolarHBondContact OE1-N 3.47Å; E519-S648 PolarHBondContact OE1-OG 3.3Å; E519-S648 PolarHBondContact OE2-OG 3.46Å; E519-W677 PolarHBondContact OE2-NE1 2.98Å
520	R	97.5	Very high	93.1	Very high	105 Å²	105	45.2 Å²	45.2	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-49.7	-177.6	-174.8	179.4	169.1	-165.8	-6.1	110.7	N518 F524 F559 Q682 D686	N518-R520 VanDerWaalsContact C-N 3.3Å; N518-R520 PolarHBondContact O-N 3.46Å; N518-R520 PolarHBondContact OD1-N 3.48Å; N518-R520 VanDerWaalsContact OD1-N 3.09Å; R520-F524 WeakPolarHBondContact O-CB 3.34Å; R520-F524 PolarHBondContact O-N 2.59Å; R520-F559 HydrophobicContact CG-CE1 3.95Å; R520-F559 HydrophobicContact CG-CZ 3.95Å; R520-F559 VanDerWaalsContact NE-CZ 3.32Å; R520-Q682 HydrophobicContact CG-CG 4.34Å; R520-D686 IonicContact CZ-OD1 2.97Å; R520-D686 IonicContact CZ-OD2 3Å; R520-D686 IonicContact NE-OD1 2.75Å; R520-D686 IonicContact NE-OD2 3.63Å; R520-D686 PolarHBondContact NE-OD2 2.93Å; R520-D686 IonicContact NH2-OD1 2.82Å; R520-D686 PolarHBondContact NH2-OD1 3.21Å; R520-D686 IonicContact NH2-OD2 3.75Å; R520-D686 PolarHBondContact NH2-OD2 3.34Å
521	I	97.5	Very high	93.9	Very high	15 Å²	15	41 Å²	41	8%	0.077	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-45.2	176.8	-62.3	172.9	0	0	0	110.4	M508 L517 N518 R523 F524 L525 D558 F559	M508-I521 HydrophobicContact CE-CD1 4.5Å; M508-I521 HydrophobicContact CE-CG2 3.54Å; M508-I521 HydrophobicContact SD-CG2 4.42Å; L517-I521 HydrophobicContact CD1-CG2 4.13Å; L517-I521 HydrophobicContact CD2-CG2 4.35Å; N518-I521 PolarHBondContact O-N 2.98Å; N518-I521 WeakPolarHBondContact OD1-CG1 3.25Å; N518-I521 PolarHBondContact OD1-N 3.32Å; I521-R523 PolarHBondContact O-N 3.1Å; I521-F524 WeakPolarHBondContact O-CB 3.35Å; I521-F524 PolarHBondContact O-N 3.46Å; I521-L525 HydrophobicContact CG2-CD1 4.07Å; I521-L525 HydrophobicContact CG2-CG 4.43Å; I521-L525 PolarHBondContact O-N 2.94Å; I521-D558 HydrophobicContact CD1-CB 4.14Å; I521-F559 HydrophobicContact CG1-CE1 4.33Å; I521-F559 HydrophobicContact CG1-CZ 4.33Å
522	S	98	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-51.2	-179.4	-60.1	0	0	0	0	111.1	L517 N518 E519 F524 L525 I526 L616	L517-S522 VanDerWaalsContact CB-OG 3.32Å; L517-S522 WeakPolarHBondContact CB-OG 3.2Å; N518-S522 VanDerWaalsContact O-CB 3.31Å; N518-S522 WeakPolarHBondContact O-CB 3.23Å; N518-S522 PolarHBondContact O-N 3.34Å; N518-S522 PolarHBondContact O-OG 2.57Å; E519-S522 PolarHBondContact O-N 3.36Å; S522-F524 VanDerWaalsContact C-N 3.3Å; S522-F524 PolarHBondContact O-N 3.48Å; S522-L525 PolarHBondContact O-N 3.27Å; S522-I526 WeakPolarHBondContact O-CB 3.4Å; S522-I526 VanDerWaalsContact O-CG1 3.23Å; S522-I526 WeakPolarHBondContact O-CG1 3.42Å; S522-I526 PolarHBondContact O-N 3.25Å; S522-L616 WeakPolarHBondContact OG-CD2 3.47Å
523	R	97.8	Very high	95.1	Very high	27 Å²	27	36.7 Å²	36.7	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-41.6	177.8	-174.2	-171.5	-68.9	99.6	-0.7	112.2	E519 I521 I526 Y527 W677 L678 L683	E519-R523 WeakPolarHBondContact O-CB 3.43Å; E519-R523 PolarHBondContact O-N 2.89Å; E519-R523 PolarHBondContact O-NH1 2.8Å; E519-R523 VanDerWaalsContact O-NH1 3.09Å; E519-R523 IonicContact OE2-CZ 3.98Å; E519-R523 IonicContact OE2-NH2 2.83Å; E519-R523 PolarHBondContact OE2-NH2 2.88Å; I521-R523 PolarHBondContact O-N 3.1Å; R523-I526 PolarHBondContact O-N 3.37Å; R523-Y527 WeakPolarHBondContact O-CB 3.24Å; R523-Y527 PolarHBondContact O-N 3.46Å; R523-W677 HydrophobicContact CB-CH2 4.28Å; R523-W677 HydrophobicContact CB-CZ2 4.13Å; R523-W677 VanDerWaalsContact CD-O 3.25Å; R523-W677 WeakPolarHBondContact CD-O 3.22Å; R523-W677 PolarHBondContact NE-O 3Å; R523-L678 HydrophobicContact CB-CD2 4.41Å; R523-L678 HydrophobicContact CG-CD2 3.44Å; R523-L678 VanDerWaalsContact CG-CD2 3.44Å; R523-L678 HydrophobicContact CG-CG 4.37Å; R523-L683 HydrophobicContact CG-CD1 4.09Å; R523-L683 HydrophobicContact CG-CD2 3.75Å; R523-L683 HydrophobicContact CG-CG 4.32Å
524	F	98.5	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-42.7	177.5	175.9	-96.2	0	0	0	113.1	R520 I521 S522 Q528 F559 P560 L683 D686 L687 L690	R520-F524 WeakPolarHBondContact O-CB 3.34Å; R520-F524 PolarHBondContact O-N 2.59Å; I521-F524 WeakPolarHBondContact O-CB 3.35Å; I521-F524 PolarHBondContact O-N 3.46Å; S522-F524 VanDerWaalsContact C-N 3.3Å; S522-F524 PolarHBondContact O-N 3.48Å; F524-Q528 PolarHBondContact O-N 2.99Å; F524-Q528 PolarHBondContact O-NE2 2.98Å; F524-F559 HydrophobicContact CB-CD1 4.16Å; F524-F559 HydrophobicContact CB-CE1 4.41Å; F524-F559 HydrophobicContact CD1-CB 4.29Å; F524-F559 AromaticContact CD1-CD1 3.87Å; F524-F559 HydrophobicContact CD1-CD1 3.87Å; F524-F559 AromaticContact CD2-CD1 3.96Å; F524-F559 HydrophobicContact CD2-CD1 3.96Å; F524-F559 VanDerWaalsContact CE1-C 3.42Å; F524-F559 VanDerWaalsContact CE1-CA 3.46Å; F524-F559 HydrophobicContact CE1-CB 3.75Å; F524-F559 HydrophobicContact CE1-CD1 4.17Å; F524-F559 HydrophobicContact CE1-CG 4.49Å; F524-F559 HydrophobicContact CE2-CB 4.29Å; F524-F559 HydrophobicContact CE2-CD1 4.26Å; F524-F559 AromaticContact CG-CD1 3.74Å; F524-F559 HydrophobicContact CG-CD1 3.74Å; F524-F559 HydrophobicContact CG-CE1 4.45Å; F524-F559 HydrophobicContact CZ-CB 3.75Å; F524-F559 HydrophobicContact CZ-CD1 4.35Å; F524-P560 VanDerWaalsContact CE1-O 3.28Å; F524-P560 WeakPolarHBondContact CE1-O 3.32Å; F524-L683 VanDerWaalsContact CA-CD1 3.48Å; F524-L683 HydrophobicContact CB-CD1 3.97Å; F524-L683 HydrophobicContact CD2-CD1 4.29Å; F524-D686 HydrophobicContact CD2-CB 3.8Å; F524-D686 HydrophobicContact CE2-CB 4.08Å; F524-L687 HydrophobicContact CD2-CD2 3.81Å; F524-L687 HydrophobicContact CD2-CG 4.29Å; F524-L687 HydrophobicContact CE2-CD2 3.84Å; F524-L687 HydrophobicContact CE2-CG 4.43Å; F524-L690 HydrophobicContact CE2-CB 4.37Å; F524-L690 HydrophobicContact CE2-CD2 4.39Å; F524-L690 HydrophobicContact CZ-CB 4.16Å; F524-L690 HydrophobicContact CZ-CD2 3.73Å; F524-L690 HydrophobicContact CZ-CG 4.44Å
525	L	98.5	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.6	-45.2	176.2	-64.2	175.9	0	0	0	111.8	M505 M508 L517 I521 S522 Y527 Q528 I529 L553 P560 M562	M505-L525 HydrophobicContact CE-CB 4.24Å; M505-L525 HydrophobicContact CE-CD1 3.95Å; M505-L525 HydrophobicContact CG-CD1 4.17Å; M505-L525 HydrophobicContact SD-CD1 4.3Å; M508-L525 HydrophobicContact SD-CD1 3.88Å; L517-L525 HydrophobicContact CD1-CD1 3.84Å; I521-L525 HydrophobicContact CG2-CD1 4.07Å; I521-L525 HydrophobicContact CG2-CG 4.43Å; I521-L525 PolarHBondContact O-N 2.94Å; S522-L525 PolarHBondContact O-N 3.27Å; L525-Y527 VanDerWaalsContact C-N 3.28Å; L525-Y527 PolarHBondContact O-N 2.95Å; L525-Q528 PolarHBondContact O-N 3.48Å; L525-I529 WeakPolarHBondContact O-CG1 3.36Å; L525-I529 PolarHBondContact O-N 3.45Å; L525-L553 HydrophobicContact CD2-CD2 4.26Å; L525-P560 HydrophobicContact CD2-CG 4.3Å; L525-M562 HydrophobicContact CD2-CB 4.34Å
526	I	98.6	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.5	-40	178.3	-65.2	-56.3	0	0	0	111.3	S522 R523 Q528 I529 L530 V608 I611 T612 F654 W677 L678	S522-I526 WeakPolarHBondContact O-CB 3.4Å; S522-I526 VanDerWaalsContact O-CG1 3.23Å; S522-I526 WeakPolarHBondContact O-CG1 3.42Å; S522-I526 PolarHBondContact O-N 3.25Å; R523-I526 PolarHBondContact O-N 3.37Å; I526-Q528 PolarHBondContact O-N 3.1Å; I526-I529 HydrophobicContact CD1-CD1 4.02Å; I526-I529 PolarHBondContact O-N 3.14Å; I526-L530 HydrophobicContact CG2-CD1 4.05Å; I526-L530 HydrophobicContact CG2-CG 4.31Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.46Å; I526-L530 PolarHBondContact O-N 3.05Å; I526-V608 HydrophobicContact CG2-CG1 4.23Å; I526-I611 HydrophobicContact CD1-CG2 3.94Å; I526-T612 VanDerWaalsContact CD1-OG1 3.26Å; I526-T612 WeakPolarHBondContact CD1-OG1 3.26Å; I526-T612 HydrophobicContact CG1-CG2 4.36Å; I526-F654 HydrophobicContact CG2-CE1 3.9Å; I526-F654 HydrophobicContact CG2-CZ 4.02Å; I526-W677 HydrophobicContact CB-CZ3 4.22Å; I526-W677 HydrophobicContact CG1-CH2 4.22Å; I526-W677 HydrophobicContact CG1-CZ3 4.26Å; I526-W677 HydrophobicContact CG2-CZ3 4.11Å; I526-L678 HydrophobicContact CG2-CD2 4.47Å
527	Y	98.6	Very high	97.2	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.102	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-47.5	176.2	-167.8	-83.9	0	0	0	111.9	R523 L525 I529 L530 V531 L673 L678 L683 L687 L699	R523-Y527 WeakPolarHBondContact O-CB 3.24Å; R523-Y527 PolarHBondContact O-N 3.46Å; L525-Y527 VanDerWaalsContact C-N 3.28Å; L525-Y527 PolarHBondContact O-N 2.95Å; Y527-I529 VanDerWaalsContact C-N 3.34Å; Y527-I529 PolarHBondContact O-N 2.88Å; Y527-L530 PolarHBondContact O-N 3.24Å; Y527-V531 HydrophobicContact CD1-CG2 3.88Å; Y527-V531 HydrophobicContact CE1-CG2 3.59Å; Y527-V531 WeakPolarHBondContact O-CG2 3.47Å; Y527-V531 PolarHBondContact O-N 3.4Å; Y527-L673 HydrophobicContact CD2-CD2 4.17Å; Y527-L673 HydrophobicContact CE1-CD2 4.42Å; Y527-L673 HydrophobicContact CE2-CD2 3.94Å; Y527-L678 HydrophobicContact CD2-CB 4.33Å; Y527-L678 HydrophobicContact CD2-CD2 4.17Å; Y527-L683 HydrophobicContact CD2-CD2 3.68Å; Y527-L683 HydrophobicContact CE2-CD2 4.36Å; Y527-L683 HydrophobicContact CG-CD2 4.1Å; Y527-L687 HydrophobicContact CD1-CD1 3.52Å; Y527-L687 HydrophobicContact CD1-CD2 3.92Å; Y527-L687 HydrophobicContact CD1-CG 4.41Å; Y527-L687 HydrophobicContact CD2-CD1 4.34Å; Y527-L687 HydrophobicContact CE1-CD1 3.58Å; Y527-L687 HydrophobicContact CE2-CD1 4.39Å; Y527-L687 HydrophobicContact CG-CD1 3.93Å; Y527-L687 HydrophobicContact CG-CD2 4.49Å; Y527-L699 HydrophobicContact CE1-CB 4.38Å; Y527-L699 WeakPolarHBondContact CE1-O 3.14Å; Y527-L699 PolarHBondContact OH-O 3.13Å
528	Q	98.4	Very high	97.2	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-40.3	177.1	-69.5	-179.6	78.5	0	0	112.1	F524 L525 I526 L530 V531 A532 P560 M562 L687 L699	F524-Q528 PolarHBondContact O-N 2.99Å; F524-Q528 PolarHBondContact O-NE2 2.98Å; L525-Q528 PolarHBondContact O-N 3.48Å; I526-Q528 PolarHBondContact O-N 3.1Å; Q528-L530 VanDerWaalsContact C-N 3.33Å; Q528-L530 PolarHBondContact O-N 2.79Å; Q528-V531 PolarHBondContact O-N 3.03Å; Q528-A532 PolarHBondContact O-N 2.9Å; Q528-P560 PolarHBondContact NE2-O 3.39Å; Q528-M562 HydrophobicContact CB-CG 3.33Å; Q528-M562 HydrophobicContact CB-SD 3.58Å; Q528-M562 VanDerWaalsContact CB-SD 3.58Å; Q528-M562 HydrophobicContact CG-CG 4.07Å; Q528-M562 VanDerWaalsContact OE1-N 3.07Å; Q528-L687 HydrophobicContact CG-CD2 4.43Å; Q528-L699 HydrophobicContact CB-CD2 4.43Å; Q528-L699 HydrophobicContact CG-CD1 3.96Å; Q528-L699 HydrophobicContact CG-CD2 3.91Å
529	I	98.4	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-45.5	175.2	-65.4	163.5	0	0	0	110.2	M505 L525 I526 Y527 A532 L533 I551 M562 V608 I611	M505-I529 HydrophobicContact SD-CD1 4.34Å; L525-I529 WeakPolarHBondContact O-CG1 3.36Å; L525-I529 PolarHBondContact O-N 3.45Å; I526-I529 HydrophobicContact CD1-CD1 4.02Å; I526-I529 PolarHBondContact O-N 3.14Å; Y527-I529 VanDerWaalsContact C-N 3.34Å; Y527-I529 PolarHBondContact O-N 2.88Å; I529-A532 PolarHBondContact O-N 3.43Å; I529-L533 HydrophobicContact CG2-CD1 3.89Å; I529-L533 HydrophobicContact CG2-CG 4.36Å; I529-L533 WeakPolarHBondContact O-CB 3.44Å; I529-L533 VanDerWaalsContact O-CG 3.32Å; I529-L533 WeakPolarHBondContact O-CG 3.36Å; I529-L533 PolarHBondContact O-N 3.39Å; I529-I551 HydrophobicContact CD1-CD1 3.47Å; I529-I551 VanDerWaalsContact CD1-CD1 3.47Å; I529-I551 HydrophobicContact CD1-CG1 4.27Å; I529-I551 HydrophobicContact CG1-CD1 4.13Å; I529-I551 HydrophobicContact CG1-CG1 4.45Å; I529-M562 HydrophobicContact CB-SD 4.33Å; I529-M562 HydrophobicContact CG1-SD 3.51Å; I529-M562 VanDerWaalsContact CG1-SD 3.51Å; I529-V608 HydrophobicContact CG2-CG2 3.96Å; I529-I611 HydrophobicContact CD1-CG2 4.37Å
530	L	98.6	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-39.7	179.2	-69.8	171.6	0	0	0	112.4	I526 Y527 Q528 L533 N534 M605 V608 F654 V669 A672 L673 L678	I526-L530 HydrophobicContact CG2-CD1 4.05Å; I526-L530 HydrophobicContact CG2-CG 4.31Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.46Å; I526-L530 PolarHBondContact O-N 3.05Å; Y527-L530 PolarHBondContact O-N 3.24Å; Q528-L530 VanDerWaalsContact C-N 3.33Å; Q528-L530 PolarHBondContact O-N 2.79Å; L530-L533 PolarHBondContact O-N 2.76Å; L530-N534 WeakPolarHBondContact O-CB 3.28Å; L530-N534 PolarHBondContact O-N 3.19Å; L530-M605 HydrophobicContact CD2-CE 3.66Å; L530-M605 HydrophobicContact CD2-SD 4.38Å; L530-V608 HydrophobicContact CD2-CG1 4.24Å; L530-F654 HydrophobicContact CD1-CZ 4.16Å; L530-V669 HydrophobicContact CB-CG2 4.24Å; L530-V669 HydrophobicContact CD2-CG2 4.06Å; L530-V669 WeakPolarHBondContact O-CG2 3.35Å; L530-A672 HydrophobicContact CD1-CB 3.93Å; L530-A672 HydrophobicContact CD2-CB 3.86Å; L530-L673 HydrophobicContact CB-CD2 3.57Å; L530-L673 HydrophobicContact CB-CG 3.96Å; L530-L673 HydrophobicContact CD1-CD2 4.27Å; L530-L678 HydrophobicContact CD1-CD1 3.42Å; L530-L678 VanDerWaalsContact CD1-CD1 3.42Å
531	V	98	Very high	96.1	Very high	31 Å²	31	31.4 Å²	31.4	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175	173.7	0	0	0	0	110.7	Y527 Q528 L533 N534 Y535 L673 L699	Y527-V531 HydrophobicContact CD1-CG2 3.88Å; Y527-V531 HydrophobicContact CE1-CG2 3.59Å; Y527-V531 WeakPolarHBondContact O-CG2 3.47Å; Y527-V531 PolarHBondContact O-N 3.4Å; Q528-V531 PolarHBondContact O-N 3.03Å; V531-L533 PolarHBondContact O-N 2.78Å; V531-N534 WeakPolarHBondContact O-CB 3.41Å; V531-N534 PolarHBondContact O-N 3.23Å; V531-Y535 PolarHBondContact O-N 3.11Å; V531-L673 HydrophobicContact CG2-CD2 3.94Å; V531-L699 HydrophobicContact CB-CD2 4.08Å; V531-L699 HydrophobicContact CG1-CD2 4.09Å; V531-L699 HydrophobicContact CG2-CD2 4.09Å
532	A	97.5	Very high	95.6	Very high	31 Å²	31	30.7 Å²	30.7	26%	0.256	16%	0.161	S	C	.	.	H	α-helix	trans	-61.2	-43	176	0	0	0	0	0	111.9	Q528 I529 Y535 L536 L564	Q528-A532 PolarHBondContact O-N 2.9Å; I529-A532 PolarHBondContact O-N 3.43Å; A532-Y535 WeakPolarHBondContact O-CB 3.32Å; A532-Y535 PolarHBondContact O-N 2.77Å; A532-L536 WeakPolarHBondContact O-CG 3.39Å; A532-L536 PolarHBondContact O-N 3.5Å; A532-L536 VanDerWaalsContact O-N 3.11Å; A532-L564 HydrophobicContact CB-CD1 3.75Å; A532-L564 HydrophobicContact CB-CG 4.13Å
533	L	97.7	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-35.3	176.6	-71	173.2	0	0	0	112.8	I529 L530 V531 Y535 L536 H537 L546 L564 D604 V608 V669	I529-L533 HydrophobicContact CG2-CD1 3.89Å; I529-L533 HydrophobicContact CG2-CG 4.36Å; I529-L533 WeakPolarHBondContact O-CB 3.44Å; I529-L533 VanDerWaalsContact O-CG 3.32Å; I529-L533 WeakPolarHBondContact O-CG 3.36Å; I529-L533 PolarHBondContact O-N 3.39Å; L530-L533 PolarHBondContact O-N 2.76Å; V531-L533 PolarHBondContact O-N 2.78Å; L533-Y535 VanDerWaalsContact C-N 3.25Å; L533-Y535 PolarHBondContact O-N 2.83Å; L533-L536 HydrophobicContact CD2-CD1 4.22Å; L533-L536 PolarHBondContact O-N 2.89Å; L533-H537 WeakPolarHBondContact O-CB 3.32Å; L533-H537 PolarHBondContact O-CD2 3.45Å; L533-H537 PolarHBondContact O-N 3.04Å; L533-L546 HydrophobicContact CD1-CD1 3.73Å; L533-L546 HydrophobicContact CD2-CD1 3.75Å; L533-L546 HydrophobicContact CG-CD1 4.27Å; L533-L564 HydrophobicContact CD2-CD1 4.38Å; L533-D604 HydrophobicContact CD1-CB 4.3Å; L533-D604 HydrophobicContact CD2-CB 4.05Å; L533-V608 HydrophobicContact CD1-CG2 3.53Å; L533-V669 HydrophobicContact CB-CG2 4.1Å
534	N	96.9	Very high	94.7	Very high	54 Å²	54	29.6 Å²	29.6	29%	0.289	16%	0.158	S	C	.	.	H	α-helix	trans	-60.2	-41.4	177	-172.4	51.3	0	0	0	110.6	L530 V531 A538 V669 L673	L530-N534 WeakPolarHBondContact O-CB 3.28Å; L530-N534 PolarHBondContact O-N 3.19Å; V531-N534 WeakPolarHBondContact O-CB 3.41Å; V531-N534 PolarHBondContact O-N 3.23Å; N534-A538 WeakPolarHBondContact O-CB 3.17Å; N534-A538 PolarHBondContact O-N 3.14Å; N534-V669 HydrophobicContact CB-CG1 4.13Å; N534-V669 HydrophobicContact CB-CG2 3.84Å; N534-L673 HydrophobicContact CB-CD1 4.28Å
535	Y	96.4	Very high	94	Very high	157 Å²	157	30 Å²	30	62%	0.616	16%	0.159	S	C	*	.	H	α-helix	trans	-62.4	-52.2	172.8	177.8	-96.4	0	0	0	112.1	V531 A532 L533 H537 A538 Q539	V531-Y535 PolarHBondContact O-N 3.11Å; A532-Y535 WeakPolarHBondContact O-CB 3.32Å; A532-Y535 PolarHBondContact O-N 2.77Å; L533-Y535 VanDerWaalsContact C-N 3.25Å; L533-Y535 PolarHBondContact O-N 2.83Å; Y535-H537 VanDerWaalsContact C-N 3.35Å; Y535-H537 PolarHBondContact O-N 3.48Å; Y535-A538 PolarHBondContact O-N 2.72Å; Y535-Q539 HydrophobicContact CE1-CG 4.43Å; Y535-Q539 PolarHBondContact O-N 3.27Å
536	L	94.5	Very high	93.7	Very high	19 Å²	19	30 Å²	30	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-58.7	-46.2	179.9	-67.7	177.1	0	0	0	112.1	A532 L533 A538 Q539 N540 V541 L564 F567	A532-L536 WeakPolarHBondContact O-CG 3.39Å; A532-L536 PolarHBondContact O-N 3.5Å; A532-L536 VanDerWaalsContact O-N 3.11Å; L533-L536 HydrophobicContact CD2-CD1 4.22Å; L533-L536 PolarHBondContact O-N 2.89Å; L536-A538 VanDerWaalsContact C-N 3.3Å; L536-A538 PolarHBondContact O-N 3.35Å; L536-Q539 CarbonylContact O-C 3.59Å; L536-Q539 WeakPolarHBondContact O-CA 3.41Å; L536-Q539 PolarHBondContact O-N 2.72Å; L536-N540 PolarHBondContact O-N 2.99Å; L536-V541 CarbonylContact C-O 3.59Å; L536-V541 VanDerWaalsContact C-O 3.32Å; L536-V541 HydrophobicContact CB-CB 4.27Å; L536-V541 HydrophobicContact CD2-CB 4.26Å; L536-V541 HydrophobicContact CD2-CG1 4.1Å; L536-V541 PolarHBondContact O-N 3.21Å; L536-L564 HydrophobicContact CD1-CD1 4.07Å; L536-F567 HydrophobicContact CD1-CE1 3.73Å; L536-F567 HydrophobicContact CD1-CZ 3.93Å; L536-F567 HydrophobicContact CD2-CE1 3.72Å; L536-F567 HydrophobicContact CD2-CZ 4.04Å; L536-F567 HydrophobicContact CG-CE1 4.4Å
537	H	94.1	Very high	93.3	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.032	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-28.9	-178.5	-76.2	-170	0	0	0	112.8	L533 Y535 Q539 N540 V541 R601 D604	L533-H537 WeakPolarHBondContact O-CB 3.32Å; L533-H537 PolarHBondContact O-CD2 3.45Å; L533-H537 PolarHBondContact O-N 3.04Å; Y535-H537 VanDerWaalsContact C-N 3.35Å; Y535-H537 PolarHBondContact O-N 3.48Å; H537-Q539 VanDerWaalsContact C-N 3.33Å; H537-N540 PolarHBondContact O-N 3.41Å; H537-V541 PolarHBondContact CD2-O 2.83Å; H537-R601 HydrophobicContact CB-CG 4.32Å; H537-R601 PolarHBondContact CE1-O 3.38Å; H537-R601 PolarHBondContact NE2-O 3.31Å; H537-R601 WeakPolarHBondContact O-CD 3.24Å; H537-R601 PolarHBondContact O-NH1 2.99Å; H537-D604 IonicContact CD2-OD2 3.67Å; H537-D604 IonicContact CE1-OD2 2.68Å; H537-D604 IonicContact NE2-OD2 3.95Å; H537-D604 PolarHBondContact NE2-OD2 2.99Å
538	A	92.8	Very high	92.8	Very high	66 Å²	66	30.1 Å²	30.1	55%	0.545	16%	0.161	S	C	.	.	H	α-helix	trans	-70.2	-31.5	171.1	0	0	0	0	0	111.9	N534 Y535 L536 N540	N534-A538 WeakPolarHBondContact O-CB 3.17Å; N534-A538 PolarHBondContact O-N 3.14Å; Y535-A538 PolarHBondContact O-N 2.72Å; L536-A538 VanDerWaalsContact C-N 3.3Å; L536-A538 PolarHBondContact O-N 3.35Å; A538-N540 VanDerWaalsContact C-N 3.25Å; A538-N540 PolarHBondContact O-N 2.98Å
539	Q	90.8	Very high	92.2	Very high	114 Å²	114	32.9 Å²	32.9	53%	0.533	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.7	174.5	-60.5	-56.2	-45.2	0	0	113.4	Y535 L536 H537 V541	Y535-Q539 HydrophobicContact CE1-CG 4.43Å; Y535-Q539 PolarHBondContact O-N 3.27Å; L536-Q539 CarbonylContact O-C 3.59Å; L536-Q539 WeakPolarHBondContact O-CA 3.41Å; L536-Q539 PolarHBondContact O-N 2.72Å; H537-Q539 VanDerWaalsContact C-N 3.33Å; Q539-V541 HydrophobicContact CB-CG2 4.27Å; Q539-V541 PolarHBondContact O-N 3.17Å; Q539-V541 VanDerWaalsContact O-N 3.14Å
540	N	86.6	Confident	91.7	Very high	75 Å²	75	33.4 Å²	33.4	40%	0.401	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	22.3	-175.3	-63.8	-50.5	0	0	0	114.2	L536 H537 A538 I572 I573	L536-N540 PolarHBondContact O-N 2.99Å; H537-N540 PolarHBondContact O-N 3.41Å; A538-N540 VanDerWaalsContact C-N 3.25Å; A538-N540 PolarHBondContact O-N 2.98Å; N540-I572 CarbonylContact O-C 3.56Å; N540-I572 WeakPolarHBondContact O-CA 3.49Å; N540-I573 HydrophobicContact CB-CB 4.19Å; N540-I573 PolarHBondContact O-N 3.34Å
541	V	89.2	Confident	91.5	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.188	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136	175.4	-179.8	0	0	0	0	109.9	L536 H537 Q539 F567 R571 I572	L536-V541 CarbonylContact C-O 3.59Å; L536-V541 VanDerWaalsContact C-O 3.32Å; L536-V541 HydrophobicContact CB-CB 4.27Å; L536-V541 HydrophobicContact CD2-CB 4.26Å; L536-V541 HydrophobicContact CD2-CG1 4.1Å; L536-V541 PolarHBondContact O-N 3.21Å; H537-V541 PolarHBondContact CD2-O 2.83Å; Q539-V541 HydrophobicContact CB-CG2 4.27Å; Q539-V541 PolarHBondContact O-N 3.17Å; Q539-V541 VanDerWaalsContact O-N 3.14Å; V541-F567 HydrophobicContact CG1-CE1 4.47Å; V541-R571 CarbonylContact C-O 3.56Å; V541-R571 WeakPolarHBondContact CA-O 3.32Å; V541-I572 HydrophobicContact CG2-CG1 4.44Å
542	V	88.8	Confident	91.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.5	175.1	-170.6	0	0	0	0	108.7	A570 R571 I573 R601 L603 D604	V542-A570 CarbonylContact O-C 3.39Å; V542-A570 WeakPolarHBondContact O-CA 3.45Å; V542-A570 WeakPolarHBondContact O-CB 3.24Å; V542-R571 PolarHBondContact N-O 2.8Å; V542-R571 PolarHBondContact O-N 2.85Å; V542-I573 HydrophobicContact CG2-CD1 3.41Å; V542-I573 VanDerWaalsContact CG2-CD1 3.41Å; V542-I573 HydrophobicContact CG2-CG1 3.68Å; V542-R601 HydrophobicContact CG2-CG 4.11Å; V542-L603 HydrophobicContact CG1-CD1 3.7Å; V542-L603 HydrophobicContact CG1-CD2 3.85Å; V542-L603 HydrophobicContact CG1-CG 3.68Å; V542-D604 WeakPolarHBondContact CA-OD2 3.3Å; V542-D604 VanDerWaalsContact CG1-OD2 3.23Å; V542-D604 WeakPolarHBondContact CG1-OD2 3.41Å
543	H	88.3	Confident	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.			trans	-72.2	-42.4	-173.8	-173.1	-85.5	0	0	0	113	D545 L546 C565 D566 F567 A570 D604	H543-D545 PolarHBondContact CE1-O 3.19Å; H543-D545 VanDerWaalsContact CE1-O 3.3Å; H543-D545 PolarHBondContact ND1-N 3.43Å; H543-D545 PolarHBondContact ND1-O 3.1Å; H543-D545 PolarHBondContact O-N 3.17Å; H543-L546 HydrophobicContact CB-CD2 4.17Å; H543-L546 HydrophobicContact CB-CG 3.91Å; H543-L546 PolarHBondContact ND1-N 2.93Å; H543-C565 PolarHBondContact NE2-O 3.08Å; H543-D566 PolarHBondContact NE2-O 3.29Å; H543-F567 AromaticContact CD2-CE1 3.97Å; H543-A570 WeakPolarHBondContact O-CA 3.22Å; H543-A570 PolarHBondContact O-N 2.85Å; H543-D604 PolarHBondContact N-OD1 3.26Å; H543-D604 PolarHBondContact N-OD2 2.79Å
544	C	87	Confident	90.8	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.034	18%	0.184	C	C	.	.	S	Bend	trans	68.2	-12.5	175.7	-54.4	0	0	0	0	118.2	F569 L603 D604	C544-F569 HydrophobicContact CB-CB 4.17Å; C544-F569 WeakPolarHBondContact CB-O 3.5Å; C544-L603 HydrophobicContact CB-CD1 4.19Å; C544-D604 PolarHBondContact N-OD1 3.24Å
545	D	85.6	Confident	90.5	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.184	C	C	.	.			trans	-136.2	47.9	171.4	-165.6	43.1	0	0	0	111.3	H543 K547 N550 F569 G584 T585	H543-D545 PolarHBondContact CE1-O 3.19Å; H543-D545 VanDerWaalsContact CE1-O 3.3Å; H543-D545 PolarHBondContact ND1-N 3.43Å; H543-D545 PolarHBondContact ND1-O 3.1Å; H543-D545 PolarHBondContact O-N 3.17Å; D545-K547 PolarHBondContact O-N 2.98Å; D545-K547 IonicContact OD1-NZ 2.74Å; D545-K547 WeakPolarHBondContact OD2-CE 3.31Å; D545-K547 IonicContact OD2-NZ 2.95Å; D545-K547 PolarHBondContact OD2-NZ 3.05Å; D545-N550 PolarHBondContact O-ND2 3.2Å; D545-N550 PolarHBondContact OD2-ND2 3.37Å; D545-F569 HydrophobicContact CB-CB 4.25Å; D545-F569 HydrophobicContact CB-CD2 3.63Å; D545-F569 HydrophobicContact CB-CE2 4.44Å; D545-F569 HydrophobicContact CB-CG 4.34Å; D545-G584 WeakPolarHBondContact OD1-CA 3.49Å; D545-T585 PolarHBondContact OD1-N 3.28Å; D545-T585 VanDerWaalsContact OD1-N 3.13Å; D545-T585 PolarHBondContact OD1-OG1 3.11Å; D545-T585 VanDerWaalsContact OD1-OG1 3.06Å
546	L	92.1	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.			trans	-70.3	127.4	173.4	-77.6	174.7	0	0	0	110.3	L533 H543 L564 D604 V608 I611	L533-L546 HydrophobicContact CD1-CD1 3.73Å; L533-L546 HydrophobicContact CD2-CD1 3.75Å; L533-L546 HydrophobicContact CG-CD1 4.27Å; H543-L546 HydrophobicContact CB-CD2 4.17Å; H543-L546 HydrophobicContact CB-CG 3.91Å; H543-L546 PolarHBondContact ND1-N 2.93Å; L546-L564 HydrophobicContact CD2-CD1 4.25Å; L546-L564 HydrophobicContact CD2-CD2 3.81Å; L546-D604 HydrophobicContact CD1-CB 3.67Å; L546-V608 HydrophobicContact CD1-CG2 4.32Å; L546-I611 HydrophobicContact CB-CD1 4.06Å
547	K	89.2	Confident	90.1	Very high	30 Å²	30	34.6 Å²	34.6	13%	0.13	20%	0.196	C	C	.	.			trans	-162.4	162.3	176.6	58.9	-174.7	169.2	-163.8	0	109.3	D545 E549 N550 T585 Y588	D545-K547 PolarHBondContact O-N 2.98Å; D545-K547 IonicContact OD1-NZ 2.74Å; D545-K547 WeakPolarHBondContact OD2-CE 3.31Å; D545-K547 IonicContact OD2-NZ 2.95Å; D545-K547 PolarHBondContact OD2-NZ 3.05Å; K547-E549 VanDerWaalsContact CB-OE2 3.31Å; K547-E549 WeakPolarHBondContact CB-OE2 3.48Å; K547-E549 HydrophobicContact CD-CB 4.39Å; K547-E549 WeakPolarHBondContact CD-OE2 3.15Å; K547-E549 HydrophobicContact CG-CB 4.28Å; K547-E549 VanDerWaalsContact CG-OE2 3.24Å; K547-E549 WeakPolarHBondContact CG-OE2 3.28Å; K547-E549 PolarHBondContact O-N 3.18Å; K547-N550 VanDerWaalsContact CE-CG 3.49Å; K547-N550 VanDerWaalsContact CE-ND2 3.26Å; K547-N550 WeakPolarHBondContact CE-ND2 3.21Å; K547-N550 WeakPolarHBondContact CE-OD1 3.47Å; K547-N550 HydrophobicContact CG-CB 4.06Å; K547-N550 PolarHBondContact O-N 3.05Å; K547-T585 PolarHBondContact NZ-OG1 3.46Å; K547-T585 VanDerWaalsContact NZ-OG1 3.17Å; K547-Y588 HydrophobicContact CB-CD1 4.25Å; K547-Y588 HydrophobicContact CB-CD2 4.01Å; K547-Y588 HydrophobicContact CB-CE1 4.09Å; K547-Y588 HydrophobicContact CB-CE2 3.79Å; K547-Y588 HydrophobicContact CB-CG 4.22Å
548	P	88.3	Confident	89.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-55.9	-32	-178.2	-26.1	37.4	0	0	0	114.2	M505 L506 I509 N550 I551 Y588 I611	M505-P548 HydrophobicContact CB-CB 4.12Å; M505-P548 WeakPolarHBondContact CB-O 3.4Å; M505-P548 HydrophobicContact CG-CB 4.28Å; M505-P548 PolarHBondContact N-O 2.82Å; L506-P548 HydrophobicContact CB-CB 3.89Å; L506-P548 HydrophobicContact CD1-CB 4.45Å; L506-P548 PolarHBondContact N-O 3.17Å; I509-P548 HydrophobicContact CD1-CB 4.2Å; I509-P548 HydrophobicContact CD1-CG 4.34Å; P548-N550 VanDerWaalsContact C-N 3.28Å; P548-N550 PolarHBondContact O-N 3.22Å; P548-I551 PolarHBondContact O-N 2.9Å; P548-Y588 WeakPolarHBondContact CD-OH 3.49Å; P548-Y588 HydrophobicContact CG-CE1 4.49Å; P548-I611 HydrophobicContact CG-CG1 4.31Å; P548-I611 HydrophobicContact CG-CG2 4.49Å
549	E	85.6	Confident	90.1	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-67.4	-27.3	176.8	-55.1	95.6	129.7	0	0	113.2	L506 K547 I551	L506-E549 HydrophobicContact CB-CG 3.99Å; L506-E549 HydrophobicContact CD2-CG 3.51Å; L506-E549 HydrophobicContact CG-CG 4.37Å; K547-E549 VanDerWaalsContact CB-OE2 3.31Å; K547-E549 WeakPolarHBondContact CB-OE2 3.48Å; K547-E549 HydrophobicContact CD-CB 4.39Å; K547-E549 WeakPolarHBondContact CD-OE2 3.15Å; K547-E549 HydrophobicContact CG-CB 4.28Å; K547-E549 VanDerWaalsContact CG-OE2 3.24Å; K547-E549 WeakPolarHBondContact CG-OE2 3.28Å; K547-E549 PolarHBondContact O-N 3.18Å; E549-I551 VanDerWaalsContact C-N 3.31Å
550	N	88.4	Confident	90.3	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-93.8	10.1	179.5	-72.4	-2.1	0	0	0	112.3	D545 K547 P548 C565	D545-N550 PolarHBondContact O-ND2 3.2Å; D545-N550 PolarHBondContact OD2-ND2 3.37Å; K547-N550 VanDerWaalsContact CE-CG 3.49Å; K547-N550 VanDerWaalsContact CE-ND2 3.26Å; K547-N550 WeakPolarHBondContact CE-ND2 3.21Å; K547-N550 WeakPolarHBondContact CE-OD1 3.47Å; K547-N550 HydrophobicContact CG-CB 4.06Å; K547-N550 PolarHBondContact O-N 3.05Å; P548-N550 VanDerWaalsContact C-N 3.28Å; P548-N550 PolarHBondContact O-N 3.22Å; N550-C565 PolarHBondContact O-N 3.12Å
551	I	94.2	Very high	90.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	96.5	174.8	-63.2	156.8	0	0	0	107	D504 M505 I529 P548 E549 M562 L564 I611	D504-I551 CarbonylContact C-O 3.59Å; D504-I551 VanDerWaalsContact CA-O 3.31Å; D504-I551 WeakPolarHBondContact CA-O 3.24Å; M505-I551 HydrophobicContact CB-CB 3.9Å; M505-I551 HydrophobicContact CB-CG2 3.96Å; M505-I551 PolarHBondContact N-O 3.14Å; M505-I551 HydrophobicContact SD-CB 4.41Å; M505-I551 HydrophobicContact SD-CD1 3.79Å; M505-I551 HydrophobicContact SD-CG2 4.18Å; I529-I551 HydrophobicContact CD1-CD1 3.47Å; I529-I551 VanDerWaalsContact CD1-CD1 3.47Å; I529-I551 HydrophobicContact CD1-CG1 4.27Å; I529-I551 HydrophobicContact CG1-CD1 4.13Å; I529-I551 HydrophobicContact CG1-CG1 4.45Å; P548-I551 PolarHBondContact O-N 2.9Å; E549-I551 VanDerWaalsContact C-N 3.31Å; I551-M562 HydrophobicContact CG2-CB 4Å; I551-M562 HydrophobicContact CG2-CE 4.28Å; I551-M562 HydrophobicContact CG2-SD 4.17Å; I551-L564 HydrophobicContact CG1-CD2 3.94Å; I551-I611 HydrophobicContact CD1-CD1 3.97Å; I551-I611 HydrophobicContact CD1-CG2 4.22Å
552	L	92.4	Very high	91.2	Very high	42 Å²	42	29.9 Å²	29.9	22%	0.22	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.5	-175.7	-57	-176.1	0	0	0	111.2	L501 G503 D504 M562 K563 C565	L501-L552 HydrophobicContact CB-CB 4.09Å; L501-L552 HydrophobicContact CB-CD1 4.5Å; L501-L552 HydrophobicContact CD1-CB 3.29Å; L501-L552 HydrophobicContact CD1-CD1 3.71Å; L501-L552 HydrophobicContact CD1-CG 4.13Å; L501-L552 HydrophobicContact CG-CB 4.3Å; L501-L552 HydrophobicContact CG-CD1 4.49Å; G503-L552 CarbonylContact O-C 3.57Å; G503-L552 WeakPolarHBondContact O-CA 3.4Å; D504-L552 HydrophobicContact CB-CD2 3.87Å; L552-M562 CarbonylContact O-C 3.5Å; L552-M562 VanDerWaalsContact O-CA 3.24Å; L552-M562 WeakPolarHBondContact O-CA 3.4Å; L552-K563 PolarHBondContact N-O 3.13Å; L552-K563 PolarHBondContact O-N 2.83Å; L552-C565 HydrophobicContact CD1-CB 3.54Å; L552-C565 HydrophobicContact CG-CB 3.88Å; L552-C565 VanDerWaalsContact CG-SG 3.52Å
553	L	93.4	Very high	91.4	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.8	-176.1	-51.5	179.7	0	0	0	110.2	K502 G503 M508 L525 P560 M562	K502-L553 WeakPolarHBondContact CB-O 3.42Å; K502-L553 PolarHBondContact N-O 3.2Å; G503-L553 PolarHBondContact O-N 3.25Å; M508-L553 HydrophobicContact CB-CD1 3.73Å; M508-L553 HydrophobicContact CG-CD1 4.13Å; M508-L553 HydrophobicContact SD-CD1 3.69Å; L525-L553 HydrophobicContact CD2-CD2 4.26Å; L553-P560 HydrophobicContact CB-CB 4.37Å; L553-P560 HydrophobicContact CB-CG 4.3Å; L553-P560 HydrophobicContact CD1-CG 4.33Å; L553-P560 HydrophobicContact CD2-CG 3.97Å; L553-P560 HydrophobicContact CG-CG 4.42Å; L553-M562 HydrophobicContact CD2-CB 4.09Å
554	V	91.7	Very high	91.6	Very high	56 Å²	56	34.1 Å²	34.1	34%	0.339	18%	0.181	S	C	.	.	S	Bend	trans	-71	-33.3	-179	175.9	0	0	0	0	112.1	L501 Q561 K563	L501-V554 HydrophobicContact CD2-CB 4.47Å; L501-V554 HydrophobicContact CD2-CG2 3.88Å; V554-Q561 HydrophobicContact CB-CB 4.16Å; V554-Q561 HydrophobicContact CG2-CB 3.85Å; V554-Q561 HydrophobicContact CG2-CG 4.12Å; V554-Q561 WeakPolarHBondContact CG2-O 3.31Å; V554-Q561 PolarHBondContact N-O 3.39Å; V554-K563 HydrophobicContact CG2-CD 4.25Å; V554-K563 HydrophobicContact CG2-CG 4.34Å
555	S	92.4	Very high	91.6	Very high	41 Å²	41	35.3 Å²	35.3	29%	0.287	19%	0.189	S	C	.	.	S	Bend	trans	-138.1	170.3	-177.1	55.2	0	0	0	0	111.9	S557	S555-S557 VanDerWaalsContact C-N 3.35Å; S555-S557 PolarHBondContact OG-OG 3.19Å
556	D	88.8	Confident	91.2	Very high	128 Å²	128	37.9 Å²	37.9	68%	0.684	20%	0.203	S	C	*	.	S	Bend	trans	-92.1	9.3	175	52.6	0.6	0	0	0	113.7	K502	K502-D556 HydrophobicContact CG-CB 4.18Å; K502-D556 IonicContact NZ-OD2 2.68Å
557	S	92.4	Very high	90.7	Very high	41 Å²	41	42.3 Å²	42.3	29%	0.287	22%	0.222	S	C	.	.	S	Bend	trans	-68	154.2	172.9	59.6	0	0	0	0	111.6	S555 F559 P560	S555-S557 VanDerWaalsContact C-N 3.35Å; S555-S557 PolarHBondContact OG-OG 3.19Å; S557-F559 PolarHBondContact O-N 2.97Å; S557-F559 VanDerWaalsContact O-N 3.13Å; S557-P560 WeakPolarHBondContact O-CD 3.36Å
558	D	90.4	Very high	89.9	Confident	103 Å²	103	42.4 Å²	42.4	55%	0.551	23%	0.232	S	C	*	.	S	Bend	trans	-59.2	-25.1	174	-64.9	-29	0	0	0	114.1	I521 P560	I521-D558 HydrophobicContact CD1-CB 4.14Å; D558-P560 VanDerWaalsContact C-CD 3.44Å; D558-P560 WeakPolarHBondContact O-CD 3.35Å
559	F	96.2	Very high	89.2	Confident	45 Å²	45	44.5 Å²	44.5	20%	0.197	24%	0.241	C	C	.	.	S	Bend	trans	-123.5	65.3	-179.4	-59.4	-80.8	0	0	0	111.3	R520 I521 F524 S557 D686	R520-F559 HydrophobicContact CG-CE1 3.95Å; R520-F559 HydrophobicContact CG-CZ 3.95Å; R520-F559 VanDerWaalsContact NE-CZ 3.32Å; I521-F559 HydrophobicContact CG1-CE1 4.33Å; I521-F559 HydrophobicContact CG1-CZ 4.33Å; F524-F559 HydrophobicContact CB-CD1 4.16Å; F524-F559 HydrophobicContact CB-CE1 4.41Å; F524-F559 HydrophobicContact CD1-CB 4.29Å; F524-F559 AromaticContact CD1-CD1 3.87Å; F524-F559 HydrophobicContact CD1-CD1 3.87Å; F524-F559 AromaticContact CD2-CD1 3.96Å; F524-F559 HydrophobicContact CD2-CD1 3.96Å; F524-F559 VanDerWaalsContact CE1-C 3.42Å; F524-F559 VanDerWaalsContact CE1-CA 3.46Å; F524-F559 HydrophobicContact CE1-CB 3.75Å; F524-F559 HydrophobicContact CE1-CD1 4.17Å; F524-F559 HydrophobicContact CE1-CG 4.49Å; F524-F559 HydrophobicContact CE2-CB 4.29Å; F524-F559 HydrophobicContact CE2-CD1 4.26Å; F524-F559 AromaticContact CG-CD1 3.74Å; F524-F559 HydrophobicContact CG-CD1 3.74Å; F524-F559 HydrophobicContact CG-CE1 4.45Å; F524-F559 HydrophobicContact CZ-CB 3.75Å; F524-F559 HydrophobicContact CZ-CD1 4.35Å; S557-F559 PolarHBondContact O-N 2.97Å; S557-F559 VanDerWaalsContact O-N 3.13Å; F559-D686 HydrophobicContact CD1-CB 4.08Å; F559-D686 HydrophobicContact CE1-CB 4.25Å; F559-D686 WeakPolarHBondContact CE1-OD2 3.4Å
560	P	96	Very high	89	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-81.1	155.1	-176.6	35.6	-32.3	0	0	0	111.4	F524 L525 Q528 L553 S557 D558 M562	F524-P560 VanDerWaalsContact CE1-O 3.28Å; F524-P560 WeakPolarHBondContact CE1-O 3.32Å; L525-P560 HydrophobicContact CD2-CG 4.3Å; Q528-P560 PolarHBondContact NE2-O 3.39Å; L553-P560 HydrophobicContact CB-CB 4.37Å; L553-P560 HydrophobicContact CB-CG 4.3Å; L553-P560 HydrophobicContact CD1-CG 4.33Å; L553-P560 HydrophobicContact CD2-CG 3.97Å; L553-P560 HydrophobicContact CG-CG 4.42Å; S557-P560 WeakPolarHBondContact O-CD 3.36Å; D558-P560 VanDerWaalsContact C-CD 3.44Å; D558-P560 WeakPolarHBondContact O-CD 3.35Å; P560-M562 PolarHBondContact O-N 3.45Å
561	Q	97.1	Very high	88.4	Confident	35 Å²	35	44 Å²	44	16%	0.164	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-64.6	129.3	159.5	-177.4	178.9	40.5	0	0	108.2	V554 L690 L694 Y698	V554-Q561 HydrophobicContact CB-CB 4.16Å; V554-Q561 HydrophobicContact CG2-CB 3.85Å; V554-Q561 HydrophobicContact CG2-CG 4.12Å; V554-Q561 WeakPolarHBondContact CG2-O 3.31Å; V554-Q561 PolarHBondContact N-O 3.39Å; Q561-L690 HydrophobicContact CB-CD1 4.13Å; Q561-L690 HydrophobicContact CB-CD2 4.31Å; Q561-L694 HydrophobicContact CB-CD1 4.38Å; Q561-L694 HydrophobicContact CG-CD1 4.31Å; Q561-Y698 PolarHBondContact NE2-OH 2.89Å; Q561-Y698 VanDerWaalsContact NE2-OH 3.13Å
562	M	96	Very high	87.8	Confident	12 Å²	12	48 Å²	48	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	151.3	170.3	64.4	113.8	-53.9	0	0	111	L525 Q528 I529 I551 L552 L553 P560 L564	L525-M562 HydrophobicContact CD2-CB 4.34Å; Q528-M562 HydrophobicContact CB-CG 3.33Å; Q528-M562 HydrophobicContact CB-SD 3.58Å; Q528-M562 VanDerWaalsContact CB-SD 3.58Å; Q528-M562 HydrophobicContact CG-CG 4.07Å; Q528-M562 VanDerWaalsContact OE1-N 3.07Å; I529-M562 HydrophobicContact CB-SD 4.33Å; I529-M562 HydrophobicContact CG1-SD 3.51Å; I529-M562 VanDerWaalsContact CG1-SD 3.51Å; I551-M562 HydrophobicContact CG2-CB 4Å; I551-M562 HydrophobicContact CG2-CE 4.28Å; I551-M562 HydrophobicContact CG2-SD 4.17Å; L552-M562 CarbonylContact O-C 3.5Å; L552-M562 VanDerWaalsContact O-CA 3.24Å; L552-M562 WeakPolarHBondContact O-CA 3.4Å; L553-M562 HydrophobicContact CD2-CB 4.09Å; P560-M562 PolarHBondContact O-N 3.45Å; M562-L564 HydrophobicContact CE-CD2 3.89Å; M562-L564 HydrophobicContact CE-CG 3.96Å; M562-L564 VanDerWaalsContact CE-N 3.35Å
563	K	93.5	Very high	87	Confident	60 Å²	60	48.4 Å²	48.4	26%	0.261	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.9	171.6	-62	-174.1	176.5	-178.2	0	110.3	E499 L501 L552 V554	E499-K563 WeakPolarHBondContact OE1-CD 3.32Å; E499-K563 IonicContact OE1-NZ 3.6Å; E499-K563 PolarHBondContact OE1-NZ 3.46Å; E499-K563 IonicContact OE2-NZ 2.73Å; E499-K563 PolarHBondContact OE2-NZ 3.47Å; L501-K563 HydrophobicContact CD1-CB 4.05Å; L501-K563 HydrophobicContact CD1-CD 4.11Å; L501-K563 HydrophobicContact CD1-CG 4.44Å; L501-K563 HydrophobicContact CD2-CD 4.4Å; L552-K563 PolarHBondContact N-O 3.13Å; L552-K563 PolarHBondContact O-N 2.83Å; V554-K563 HydrophobicContact CG2-CD 4.25Å; V554-K563 HydrophobicContact CG2-CG 4.34Å
564	L	92.8	Very high	85.7	Confident	28 Å²	28	51.2 Å²	51.2	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.4	172	-63.1	-177.4	0	0	0	109.5	A532 L533 L536 L546 I551 M562	A532-L564 HydrophobicContact CB-CD1 3.75Å; A532-L564 HydrophobicContact CB-CG 4.13Å; L533-L564 HydrophobicContact CD2-CD1 4.38Å; L536-L564 HydrophobicContact CD1-CD1 4.07Å; L546-L564 HydrophobicContact CD2-CD1 4.25Å; L546-L564 HydrophobicContact CD2-CD2 3.81Å; I551-L564 HydrophobicContact CG1-CD2 3.94Å; M562-L564 HydrophobicContact CE-CD2 3.89Å; M562-L564 HydrophobicContact CE-CG 3.96Å; M562-L564 VanDerWaalsContact CE-N 3.35Å
565	C	87.2	Confident	84.1	Confident	31 Å²	31	53.6 Å²	53.6	21%	0.209	30%	0.303	C	S	.	.			trans	-134.8	173.1	176.5	80.2	0	0	0	0	111.8	H543 N550 L552	H543-C565 PolarHBondContact NE2-O 3.08Å; N550-C565 PolarHBondContact O-N 3.12Å; L552-C565 HydrophobicContact CD1-CB 3.54Å; L552-C565 HydrophobicContact CG-CB 3.88Å; L552-C565 VanDerWaalsContact CG-SG 3.52Å
566	D	77.2	Confident	82	Confident	60 Å²	60	63.7 Å²	63.7	32%	0.321	34%	0.335	S	S	.	.			trans	61	63.5	177.1	-159.2	-1.6	0	0	0	115.1	F472 H543 G568	F472-D566 WeakPolarHBondContact CE2-OD1 3.47Å; H543-D566 PolarHBondContact NE2-O 3.29Å; D566-G568 PolarHBondContact O-N 2.87Å; D566-G568 PolarHBondContact OD1-N 3.31Å
567	F	80.6	Confident	79.8	Confident	93 Å²	93	62.6 Å²	62.6	41%	0.408	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-70.3	17.4	169.7	-73.1	-98.5	0	0	0	113.7	L536 V541 H543 F569 A570	L536-F567 HydrophobicContact CD1-CE1 3.73Å; L536-F567 HydrophobicContact CD1-CZ 3.93Å; L536-F567 HydrophobicContact CD2-CE1 3.72Å; L536-F567 HydrophobicContact CD2-CZ 4.04Å; L536-F567 HydrophobicContact CG-CE1 4.4Å; V541-F567 HydrophobicContact CG1-CE1 4.47Å; H543-F567 AromaticContact CD2-CE1 3.97Å; F567-F569 PolarHBondContact O-N 2.82Å; F567-F569 VanDerWaalsContact O-N 3.13Å; F567-A570 HydrophobicContact CB-CB 3.84Å; F567-A570 HydrophobicContact CD1-CB 3.66Å; F567-A570 HydrophobicContact CG-CB 4.23Å; F567-A570 VanDerWaalsContact O-CB 3.23Å; F567-A570 WeakPolarHBondContact O-CB 3.37Å; F567-A570 PolarHBondContact O-N 3.36Å
568	G	72.6	Confident	77.2	Confident	32 Å²	32	64.6 Å²	64.6	33%	0.33	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-60.2	-26	-175.9	0	0	0	0	0	116.1	F472 D566	F472-G568 WeakPolarHBondContact CZ-O 3.35Å; D566-G568 PolarHBondContact O-N 2.87Å; D566-G568 PolarHBondContact OD1-N 3.31Å
569	F	73.7	Confident	75	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.197	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-106.3	1.1	175.3	-64.4	-69.8	0	0	0	113.2	Q471 C544 D545 F567 V583	Q471-F569 VanDerWaalsContact NE2-CE2 3.3Å; C544-F569 HydrophobicContact CB-CB 4.17Å; C544-F569 WeakPolarHBondContact CB-O 3.5Å; D545-F569 HydrophobicContact CB-CB 4.25Å; D545-F569 HydrophobicContact CB-CD2 3.63Å; D545-F569 HydrophobicContact CB-CE2 4.44Å; D545-F569 HydrophobicContact CB-CG 4.34Å; F567-F569 PolarHBondContact O-N 2.82Å; F567-F569 VanDerWaalsContact O-N 3.13Å; F569-V583 HydrophobicContact CD1-CB 3.63Å; F569-V583 HydrophobicContact CD1-CG1 3.91Å; F569-V583 HydrophobicContact CD1-CG2 4.24Å; F569-V583 HydrophobicContact CE1-CB 3.97Å; F569-V583 HydrophobicContact CE1-CG1 4.02Å; F569-V583 HydrophobicContact CG-CB 4.37Å
570	A	81	Confident	72.8	Confident	32 Å²	32	75 Å²	75	26%	0.264	37%	0.372	S	S	.	.			trans	-63.9	153.4	-174.4	0	0	0	0	0	111.9	V542 H543 F567	V542-A570 CarbonylContact O-C 3.39Å; V542-A570 WeakPolarHBondContact O-CA 3.45Å; V542-A570 WeakPolarHBondContact O-CB 3.24Å; H543-A570 WeakPolarHBondContact O-CA 3.22Å; H543-A570 PolarHBondContact O-N 2.85Å; F567-A570 HydrophobicContact CB-CB 3.84Å; F567-A570 HydrophobicContact CD1-CB 3.66Å; F567-A570 HydrophobicContact CG-CB 4.23Å; F567-A570 VanDerWaalsContact O-CB 3.23Å; F567-A570 WeakPolarHBondContact O-CB 3.37Å; F567-A570 PolarHBondContact O-N 3.36Å
571	R	76.6	Confident	70.7	Confident	32 Å²	32	76.8 Å²	76.8	12%	0.121	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.7	-175	-64.8	-176.8	-177	-128.2	7.8	111.6	V541 V542 R579 F599	V541-R571 CarbonylContact C-O 3.56Å; V541-R571 WeakPolarHBondContact CA-O 3.32Å; V542-R571 PolarHBondContact N-O 2.8Å; V542-R571 PolarHBondContact O-N 2.85Å; R571-R579 PolarHBondContact NH1-O 3.23Å; R571-R579 PolarHBondContact NH2-O 2.86Å; R571-F599 VanDerWaalsContact CZ-CZ 3.45Å; R571-F599 VanDerWaalsContact NH2-CE2 3.26Å
572	I	81.2	Confident	68.7	Low	83 Å²	83	79.7 Å²	79.7	43%	0.426	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.4	168.3	-57.1	172.2	0	0	0	107.8	N540 V541 E575	N540-I572 CarbonylContact O-C 3.56Å; N540-I572 WeakPolarHBondContact O-CA 3.49Å; V541-I572 HydrophobicContact CG2-CG1 4.44Å; I572-E575 HydrophobicContact CB-CG 4.37Å; I572-E575 HydrophobicContact CG2-CG 4.23Å
573	I	75.6	Confident	66.7	Low	51 Å²	51	80 Å²	80	26%	0.262	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	130.5	176.3	-63.9	167.6	0	0	0	108.8	N540 V542 R601	N540-I573 HydrophobicContact CB-CB 4.19Å; N540-I573 PolarHBondContact O-N 3.34Å; V542-I573 HydrophobicContact CG2-CD1 3.41Å; V542-I573 VanDerWaalsContact CG2-CD1 3.41Å; V542-I573 HydrophobicContact CG2-CG1 3.68Å; I573-R601 HydrophobicContact CD1-CB 4.44Å; I573-R601 HydrophobicContact CD1-CG 3.28Å
574	G	66.8	Low	65	Low	68 Å²	68	78.2 Å²	78.2	70%	0.701	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	108	-19.9	177.2	0	0	0	0	0	114.1
575	E	57.8	Low	63.6	Low	106 Å²	106	78.8 Å²	78.8	50%	0.495	41%	0.405	S	S	.	.			trans	-75.3	128.2	173.9	-69.6	-175.7	-178.6	0	0	110.8	I572 S577 F578	I572-E575 HydrophobicContact CB-CG 4.37Å; I572-E575 HydrophobicContact CG2-CG 4.23Å; E575-S577 PolarHBondContact O-N 2.88Å; E575-F578 VanDerWaalsContact O-CD2 3.24Å; E575-F578 WeakPolarHBondContact O-CD2 3.42Å; E575-F578 WeakPolarHBondContact O-CE2 3.26Å
576	R	48.4	Very low	62.8	Low	253 Å²	253	81.3 Å²	81.3	96%	0.955	42%	0.421	S	S	*	.	S	Bend	trans	-59	-6.5	177.4	-73	-178.1	179.4	171.2	0.2	114	F578	R576-F578 PolarHBondContact O-N 3.34Å
577	S	42.5	Very low	62.5	Low	105 Å²	105	78.7 Å²	78.7	73%	0.734	41%	0.408	S	S	*	.			trans	-76.8	56.2	178.9	-158.9	0	0	0	0	112.3	E575 R579	E575-S577 PolarHBondContact O-N 2.88Å; S577-R579 PolarHBondContact O-N 3.18Å
578	F	38.1	Very low	62.5	Low	83 Å²	83	74.6 Å²	74.6	36%	0.364	39%	0.39	S	S	.	.			trans	-87	103.1	174.7	-79.5	-80.5	0	0	0	111.1	E575 R576 R580 F599	E575-F578 VanDerWaalsContact O-CD2 3.24Å; E575-F578 WeakPolarHBondContact O-CD2 3.42Å; E575-F578 WeakPolarHBondContact O-CE2 3.26Å; R576-F578 PolarHBondContact O-N 3.34Å; F578-R580 PolarHBondContact O-N 2.77Å; F578-F599 HydrophobicContact CD1-CD2 4.14Å; F578-F599 HydrophobicContact CE1-CB 4.16Å; F578-F599 HydrophobicContact CE1-CD2 4.37Å
579	R	45.2	Very low	62.9	Low	163 Å²	163	73.7 Å²	73.7	62%	0.615	38%	0.378	S	S	*	.			trans	-63.7	113.5	157.4	-146.6	-170.6	-69.8	178.9	1.2	107.7	R571 S577 S581	R571-R579 PolarHBondContact NH1-O 3.23Å; R571-R579 PolarHBondContact NH2-O 2.86Å; S577-R579 PolarHBondContact O-N 3.18Å; R579-S581 WeakPolarHBondContact CD-OG 3.42Å; R579-S581 PolarHBondContact O-N 3.03Å
580	R	48.7	Very low	63.3	Low	204 Å²	204	71.6 Å²	71.6	77%	0.77	37%	0.369	S	S	*	.			trans	-74.5	10.5	178.4	-67.1	-174.1	-177.4	173.9	0.2	114.4	F578 N596	F578-R580 PolarHBondContact O-N 2.77Å; R580-N596 PolarHBondContact O-OD1 2.96Å
581	S	53	Low	63.4	Low	36 Å²	36	70.2 Å²	70.2	25%	0.252	36%	0.357	S	S	.	.	S	Bend	trans	-80.3	135.3	-179.1	53.7	0	0	0	0	110.9	R579 V583	R579-S581 WeakPolarHBondContact CD-OG 3.42Å; R579-S581 PolarHBondContact O-N 3.03Å; S581-V583 PolarHBondContact O-N 3.5Å
582	I	53.5	Low	63.6	Low	97 Å²	97	69 Å²	69	50%	0.497	35%	0.352	S	S	.	.			trans	-59.9	123.8	165.6	-60.7	172	0	0	0	107.5	L589 V593	I582-L589 HydrophobicContact CG2-CD1 3.72Å; I582-V593 HydrophobicContact CG2-CG1 4.16Å
583	V	55.7	Low	63.2	Low	18 Å²	18	65.5 Å²	65.5	11%	0.109	34%	0.335	C	S	.	.			trans	-135.1	147.6	-179.9	-70.6	0	0	0	0	109	F569 S581 L589 F599	F569-V583 HydrophobicContact CD1-CB 3.63Å; F569-V583 HydrophobicContact CD1-CG1 3.91Å; F569-V583 HydrophobicContact CD1-CG2 4.24Å; F569-V583 HydrophobicContact CE1-CB 3.97Å; F569-V583 HydrophobicContact CE1-CG1 4.02Å; F569-V583 HydrophobicContact CG-CB 4.37Å; S581-V583 PolarHBondContact O-N 3.5Å; V583-L589 WeakPolarHBondContact O-CD2 3.33Å; V583-F599 HydrophobicContact CG2-CE1 3.93Å; V583-F599 HydrophobicContact CG2-CZ 4.03Å
584	G	57.7	Low	62.6	Low	23 Å²	23	65 Å²	65	24%	0.237	33%	0.333	C	S	.	.	S	Bend	trans	115.1	176.5	-178.3	0	0	0	0	0	113.2	D545	D545-G584 WeakPolarHBondContact OD1-CA 3.49Å
585	T	63.3	Low	62.5	Low	40 Å²	40	66.1 Å²	66.1	25%	0.245	32%	0.319	C	S	.	.			trans	-83.8	120.2	179.7	-53.2	0	0	0	0	109.9	D545 K547 A587 Y588 L589	D545-T585 PolarHBondContact OD1-N 3.28Å; D545-T585 VanDerWaalsContact OD1-N 3.13Å; D545-T585 PolarHBondContact OD1-OG1 3.11Å; D545-T585 VanDerWaalsContact OD1-OG1 3.06Å; K547-T585 PolarHBondContact NZ-OG1 3.46Å; K547-T585 VanDerWaalsContact NZ-OG1 3.17Å; T585-A587 VanDerWaalsContact C-N 3.28Å; T585-A587 PolarHBondContact O-N 3.34Å; T585-Y588 HydrophobicContact CG2-CD2 3.83Å; T585-Y588 HydrophobicContact CG2-CE2 4.11Å; T585-Y588 PolarHBondContact O-N 3.35Å; T585-L589 PolarHBondContact O-N 3.22Å
586	P	69.6	Low	62.5	Low	84 Å²	84	65.2 Å²	65.2	55%	0.545	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-49	-40.4	-168.2	-31.9	36	0	0	0	116.1	Y588 L589	P586-Y588 PolarHBondContact O-N 3.01Å; P586-L589 PolarHBondContact O-N 3.26Å
587	A	71	Confident	63	Low	5 Å²	5	60.8 Å²	60.8	4%	0.041	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.8	-20.5	-179.6	0	0	0	0	0	114.3	T585 F620	T585-A587 VanDerWaalsContact C-N 3.28Å; T585-A587 PolarHBondContact O-N 3.34Å; A587-F620 HydrophobicContact CB-CD1 3.7Å; A587-F620 HydrophobicContact CB-CE1 3.6Å; A587-F620 HydrophobicContact CB-CZ 4.46Å
588	Y	80.4	Confident	64	Low	6 Å²	6	57.4 Å²	57.4	2%	0.024	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-106.4	-1.4	-179.3	-58.3	-90.1	0	0	0	112.7	K547 P548 T585 P586 A590 S607 V610 I611 F620	K547-Y588 HydrophobicContact CB-CD1 4.25Å; K547-Y588 HydrophobicContact CB-CD2 4.01Å; K547-Y588 HydrophobicContact CB-CE1 4.09Å; K547-Y588 HydrophobicContact CB-CE2 3.79Å; K547-Y588 HydrophobicContact CB-CG 4.22Å; P548-Y588 WeakPolarHBondContact CD-OH 3.49Å; P548-Y588 HydrophobicContact CG-CE1 4.49Å; T585-Y588 HydrophobicContact CG2-CD2 3.83Å; T585-Y588 HydrophobicContact CG2-CE2 4.11Å; T585-Y588 PolarHBondContact O-N 3.35Å; P586-Y588 PolarHBondContact O-N 3.01Å; Y588-A590 PolarHBondContact O-N 2.82Å; Y588-S607 PolarHBondContact O-OG 3.34Å; Y588-V610 HydrophobicContact CD1-CB 3.8Å; Y588-V610 HydrophobicContact CD1-CG1 3.44Å; Y588-V610 VanDerWaalsContact CD1-CG1 3.44Å; Y588-V610 HydrophobicContact CE1-CB 4.25Å; Y588-V610 HydrophobicContact CE1-CG1 3.57Å; Y588-V610 HydrophobicContact CG-CG1 4.22Å; Y588-I611 HydrophobicContact CD1-CG1 4.23Å; Y588-I611 HydrophobicContact CE1-CG1 4Å; Y588-F620 HydrophobicContact CD2-CE1 4.49Å; Y588-F620 HydrophobicContact CE1-CE1 4.18Å; Y588-F620 AromaticContact CE2-CE1 3.64Å; Y588-F620 HydrophobicContact CE2-CE1 3.64Å; Y588-F620 HydrophobicContact CE2-CZ 4.1Å; Y588-F620 AromaticContact CZ-CE1 3.45Å; Y588-F620 VanDerWaalsContact CZ-CE1 3.45Å; Y588-F620 AromaticContact CZ-CZ 3.94Å; Y588-F620 WeakPolarHBondContact OH-CE1 3.39Å; Y588-F620 VanDerWaalsContact OH-CZ 3.3Å; Y588-F620 WeakPolarHBondContact OH-CZ 3.5Å
589	L	81.9	Confident	65.3	Low	14 Å²	14	54.5 Å²	54.5	7%	0.073	27%	0.274	C	S	.	.			trans	-74.3	129.7	-175.2	-67.4	-177.8	0	0	0	112.1	I582 V583 T585 P586 V593 L594 W606	I582-L589 HydrophobicContact CG2-CD1 3.72Å; V583-L589 WeakPolarHBondContact O-CD2 3.33Å; T585-L589 PolarHBondContact O-N 3.22Å; P586-L589 PolarHBondContact O-N 3.26Å; L589-V593 HydrophobicContact CD2-CG1 4.48Å; L589-L594 HydrophobicContact CD1-CD2 4.36Å; L589-W606 PolarHBondContact O-NE1 3.38Å; L589-W606 VanDerWaalsContact O-NE1 3.17Å
590	A	82.1	Confident	67	Low	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.255	C	S	.	.			trans	-67.8	146.4	171.7	0	0	0	0	0	111.6	Y588 E592 V593 L603 W606	Y588-A590 PolarHBondContact O-N 2.82Å; A590-E592 VanDerWaalsContact CB-CD 3.44Å; A590-E592 HydrophobicContact CB-CG 4.4Å; A590-E592 WeakPolarHBondContact CB-OE1 3.44Å; A590-E592 WeakPolarHBondContact CB-OE2 3.38Å; A590-E592 PolarHBondContact O-N 3.28Å; A590-E592 VanDerWaalsContact O-N 3.14Å; A590-V593 HydrophobicContact CB-CG2 4.38Å; A590-V593 WeakPolarHBondContact O-CB 3.35Å; A590-V593 PolarHBondContact O-N 3.48Å; A590-L603 HydrophobicContact CB-CB 3.95Å; A590-W606 HydrophobicContact CB-CB 3.7Å; A590-W606 HydrophobicContact CB-CD2 4.26Å; A590-W606 HydrophobicContact CB-CG 3.75Å
591	P	82.7	Confident	68.9	Low	2 Å²	2	44.6 Å²	44.6	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-31.5	-176	16.7	-27.9	0	0	0	113.5	V593 L594 H595 W606 I632 V661	P591-V593 VanDerWaalsContact C-N 3.31Å; P591-V593 PolarHBondContact O-N 2.78Å; P591-L594 WeakPolarHBondContact O-CB 3.35Å; P591-L594 PolarHBondContact O-N 3.19Å; P591-H595 PolarHBondContact O-N 2.9Å; P591-H595 PolarHBondContact O-ND1 2.61Å; P591-W606 HydrophobicContact CG-CE3 4.19Å; P591-W606 HydrophobicContact CG-CH2 4.01Å; P591-W606 HydrophobicContact CG-CZ3 3.79Å; P591-I632 HydrophobicContact CB-CG2 3.84Å; P591-I632 HydrophobicContact CG-CG2 4.36Å; P591-V661 HydrophobicContact CB-CG1 4.33Å; P591-V661 HydrophobicContact CG-CB 4.49Å; P591-V661 HydrophobicContact CG-CG1 4.15Å
592	E	80.8	Confident	70.7	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-26.5	179	63.7	-89.3	-155.3	0	0	114.3	A590 L594 H595 N596 K597 S602 I663 R666	A590-E592 VanDerWaalsContact CB-CD 3.44Å; A590-E592 HydrophobicContact CB-CG 4.4Å; A590-E592 WeakPolarHBondContact CB-OE1 3.44Å; A590-E592 WeakPolarHBondContact CB-OE2 3.38Å; A590-E592 PolarHBondContact O-N 3.28Å; A590-E592 VanDerWaalsContact O-N 3.14Å; E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.37Å; E592-H595 PolarHBondContact O-N 3Å; E592-N596 PolarHBondContact O-N 2.81Å; E592-K597 PolarHBondContact O-N 3.38Å; E592-S602 PolarHBondContact OE1-OG 3.31Å; E592-I663 HydrophobicContact CB-CD1 3.87Å; E592-I663 HydrophobicContact CG-CD1 3.91Å; E592-I663 HydrophobicContact CG-CG1 4.39Å; E592-R666 IonicContact OE1-CZ 3.5Å; E592-R666 IonicContact OE1-NH1 2.61Å; E592-R666 PolarHBondContact OE1-NH1 3.42Å; E592-R666 IonicContact OE1-NH2 2.78Å; E592-R666 IonicContact OE2-CZ 3.71Å; E592-R666 IonicContact OE2-NH1 2.83Å; E592-R666 IonicContact OE2-NH2 3.59Å; E592-R666 PolarHBondContact OE2-NH2 3.24Å
593	V	72	Confident	72.4	Confident	10 Å²	10	39.3 Å²	39.3	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-37.1	174.5	-177.4	0	0	0	0	109.3	I582 L589 A590 P591 H595 N596 F599 L603	I582-V593 HydrophobicContact CG2-CG1 4.16Å; L589-V593 HydrophobicContact CD2-CG1 4.48Å; A590-V593 HydrophobicContact CB-CG2 4.38Å; A590-V593 WeakPolarHBondContact O-CB 3.35Å; A590-V593 PolarHBondContact O-N 3.48Å; P591-V593 VanDerWaalsContact C-N 3.31Å; P591-V593 PolarHBondContact O-N 2.78Å; V593-H595 VanDerWaalsContact C-N 3.34Å; V593-H595 PolarHBondContact O-N 2.83Å; V593-N596 PolarHBondContact O-N 3.19Å; V593-F599 HydrophobicContact CG1-CE1 4.2Å; V593-F599 HydrophobicContact CG1-CZ 4.33Å; V593-F599 HydrophobicContact CG2-CE1 4.48Å; V593-L603 HydrophobicContact CG2-CB 4.46Å
594	L	64.1	Low	74.3	Confident	41 Å²	41	38.4 Å²	38.4	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-31.4	176.5	-55	174.3	0	0	0	112.6	L589 P591 E592 N596 L629 I632	L589-L594 HydrophobicContact CD1-CD2 4.36Å; P591-L594 WeakPolarHBondContact O-CB 3.35Å; P591-L594 PolarHBondContact O-N 3.19Å; E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.37Å; L594-N596 VanDerWaalsContact C-N 3.33Å; L594-L629 HydrophobicContact CD1-CD2 3.61Å; L594-L629 HydrophobicContact CD2-CD2 3.73Å; L594-L629 HydrophobicContact CG-CD2 4.25Å; L594-I632 HydrophobicContact CD1-CB 4.39Å; L594-I632 HydrophobicContact CD1-CG2 3.83Å
595	H	63.9	Low	76.2	Confident	92 Å²	92	37.4 Å²	37.4	43%	0.426	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.3	177.9	-65.1	97.5	0	0	0	114	P591 E592 V593 K597	P591-H595 PolarHBondContact O-N 2.9Å; P591-H595 PolarHBondContact O-ND1 2.61Å; E592-H595 PolarHBondContact O-N 3Å; V593-H595 VanDerWaalsContact C-N 3.34Å; V593-H595 PolarHBondContact O-N 2.83Å; H595-K597 HydrophobicContact CB-CD 4.13Å; H595-K597 HydrophobicContact CB-CG 3.86Å; H595-K597 PolarHBondContact O-N 3.35Å; H595-K597 VanDerWaalsContact O-N 3.14Å
596	N	58.9	Low	77.7	Confident	86 Å²	86	35.5 Å²	35.5	46%	0.46	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	28.8	-177.1	-146.1	4.1	0	0	0	113.7	R580 E592 V593 L594 G598	R580-N596 PolarHBondContact O-OD1 2.96Å; E592-N596 PolarHBondContact O-N 2.81Å; V593-N596 PolarHBondContact O-N 3.19Å; L594-N596 VanDerWaalsContact C-N 3.33Å; N596-G598 PolarHBondContact O-N 3.44Å; N596-G598 VanDerWaalsContact O-N 3.15Å
597	K	59	Low	78.9	Confident	161 Å²	161	31.8 Å²	31.8	70%	0.7	16%	0.159	S	C	*	.			trans	-76.2	8.2	-178.1	-73.9	-176.1	178.4	-178.3	0	113.8	E592 H595	E592-K597 PolarHBondContact O-N 3.38Å; H595-K597 HydrophobicContact CB-CD 4.13Å; H595-K597 HydrophobicContact CB-CG 3.86Å; H595-K597 PolarHBondContact O-N 3.35Å; H595-K597 VanDerWaalsContact O-N 3.14Å
598	G	62.2	Low	80.2	Confident	33 Å²	33	31.6 Å²	31.6	34%	0.34	16%	0.157	S	C	.	.			trans	91.5	155.5	-175.7	0	0	0	0	0	113.2	N596	N596-G598 PolarHBondContact O-N 3.44Å; N596-G598 VanDerWaalsContact O-N 3.15Å
599	F	65.7	Low	81	Confident	22 Å²	22	31.3 Å²	31.3	10%	0.096	16%	0.156	C	C	.	.			trans	-87.6	137.9	-179.9	-64.2	-101.6	0	0	0	109.7	R571 F578 V583 V593 L603	R571-F599 VanDerWaalsContact CZ-CZ 3.45Å; R571-F599 VanDerWaalsContact NH2-CE2 3.26Å; F578-F599 HydrophobicContact CD1-CD2 4.14Å; F578-F599 HydrophobicContact CE1-CB 4.16Å; F578-F599 HydrophobicContact CE1-CD2 4.37Å; V583-F599 HydrophobicContact CG2-CE1 3.93Å; V583-F599 HydrophobicContact CG2-CZ 4.03Å; V593-F599 HydrophobicContact CG1-CE1 4.2Å; V593-F599 HydrophobicContact CG1-CZ 4.33Å; V593-F599 HydrophobicContact CG2-CE1 4.48Å; F599-L603 HydrophobicContact CB-CD2 3.95Å; F599-L603 HydrophobicContact CD1-CD2 3.69Å; F599-L603 HydrophobicContact CG-CD2 4.29Å
600	N	81	Confident	81.6	Confident	41 Å²	41	30.6 Å²	30.6	22%	0.219	15%	0.153	C	C	.	.			trans	-144.6	166.3	176.9	66.1	69.1	0	0	0	109.6	S602 L603	N600-S602 PolarHBondContact O-N 2.96Å; N600-S602 VanDerWaalsContact O-N 3.1Å; N600-S602 WeakPolarHBondContact OD1-CA 3.49Å; N600-S602 WeakPolarHBondContact OD1-CB 3.19Å; N600-S602 PolarHBondContact OD1-N 3.43Å; N600-S602 PolarHBondContact OD1-OG 3.38Å; N600-L603 WeakPolarHBondContact O-CD2 3.38Å; N600-L603 WeakPolarHBondContact O-CG 3.48Å; N600-L603 PolarHBondContact O-N 2.9Å
601	R	89.1	Confident	82.3	Confident	118 Å²	118	30.6 Å²	30.6	45%	0.445	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.7	-177.4	-62.1	-177	-78.7	-175.3	2.2	114.5	H537 V542 I573 L603 D604	H537-R601 HydrophobicContact CB-CG 4.32Å; H537-R601 PolarHBondContact CE1-O 3.38Å; H537-R601 PolarHBondContact NE2-O 3.31Å; H537-R601 WeakPolarHBondContact O-CD 3.24Å; H537-R601 PolarHBondContact O-NH1 2.99Å; V542-R601 HydrophobicContact CG2-CG 4.11Å; I573-R601 HydrophobicContact CD1-CB 4.44Å; I573-R601 HydrophobicContact CD1-CG 3.28Å; R601-L603 PolarHBondContact O-N 3.42Å; R601-D604 PolarHBondContact O-N 2.82Å
602	S	90.1	Very high	83	Confident	17 Å²	17	30.5 Å²	30.5	12%	0.119	15%	0.152	C	C	.	.	H	α-helix	trans	-70.7	-16.2	-175	83.1	0	0	0	0	113.6	E592 N600 D604 M605 W606 I663 R666	E592-S602 PolarHBondContact OE1-OG 3.31Å; N600-S602 PolarHBondContact O-N 2.96Å; N600-S602 VanDerWaalsContact O-N 3.1Å; N600-S602 WeakPolarHBondContact OD1-CA 3.49Å; N600-S602 WeakPolarHBondContact OD1-CB 3.19Å; N600-S602 PolarHBondContact OD1-N 3.43Å; N600-S602 PolarHBondContact OD1-OG 3.38Å; S602-D604 VanDerWaalsContact C-N 3.28Å; S602-D604 PolarHBondContact O-N 3.4Å; S602-M605 WeakPolarHBondContact O-CB 3.39Å; S602-M605 PolarHBondContact O-N 3.09Å; S602-M605 VanDerWaalsContact O-N 3.12Å; S602-W606 PolarHBondContact O-N 2.99Å; S602-W606 VanDerWaalsContact O-N 3.13Å; S602-I663 WeakPolarHBondContact OG-CG2 3.32Å; S602-R666 VanDerWaalsContact C-NH1 3.29Å; S602-R666 VanDerWaalsContact O-CD 3.32Å; S602-R666 WeakPolarHBondContact O-CD 3.43Å; S602-R666 PolarHBondContact O-NH1 2.93Å; S602-R666 PolarHBondContact OG-NH1 3.26Å
603	L	90.4	Very high	83.7	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-33.6	176.2	70.4	92	0	0	0	112.2	V542 C544 A590 V593 F599 N600 R601 M605 W606 S607	V542-L603 HydrophobicContact CG1-CD1 3.7Å; V542-L603 HydrophobicContact CG1-CD2 3.85Å; V542-L603 HydrophobicContact CG1-CG 3.68Å; C544-L603 HydrophobicContact CB-CD1 4.19Å; A590-L603 HydrophobicContact CB-CB 3.95Å; V593-L603 HydrophobicContact CG2-CB 4.46Å; F599-L603 HydrophobicContact CB-CD2 3.95Å; F599-L603 HydrophobicContact CD1-CD2 3.69Å; F599-L603 HydrophobicContact CG-CD2 4.29Å; N600-L603 WeakPolarHBondContact O-CD2 3.38Å; N600-L603 WeakPolarHBondContact O-CG 3.48Å; N600-L603 PolarHBondContact O-N 2.9Å; R601-L603 PolarHBondContact O-N 3.42Å; L603-M605 VanDerWaalsContact C-N 3.28Å; L603-M605 PolarHBondContact O-N 3.38Å; L603-W606 PolarHBondContact O-N 2.85Å; L603-S607 PolarHBondContact O-N 2.78Å; L603-S607 PolarHBondContact O-OG 3.18Å; L603-S607 VanDerWaalsContact O-OG 3.09Å
604	D	94.4	Very high	84.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-36.8	173.5	-71.4	-19.9	0	0	0	109.9	L533 H537 V542 H543 C544 L546 R601 S602 W606 S607 V608	L533-D604 HydrophobicContact CD1-CB 4.3Å; L533-D604 HydrophobicContact CD2-CB 4.05Å; H537-D604 IonicContact CD2-OD2 3.67Å; H537-D604 IonicContact CE1-OD2 2.68Å; H537-D604 IonicContact NE2-OD2 3.95Å; H537-D604 PolarHBondContact NE2-OD2 2.99Å; V542-D604 WeakPolarHBondContact CA-OD2 3.3Å; V542-D604 VanDerWaalsContact CG1-OD2 3.23Å; V542-D604 WeakPolarHBondContact CG1-OD2 3.41Å; H543-D604 PolarHBondContact N-OD1 3.26Å; H543-D604 PolarHBondContact N-OD2 2.79Å; C544-D604 PolarHBondContact N-OD1 3.24Å; L546-D604 HydrophobicContact CD1-CB 3.67Å; R601-D604 PolarHBondContact O-N 2.82Å; S602-D604 VanDerWaalsContact C-N 3.28Å; S602-D604 PolarHBondContact O-N 3.4Å; D604-W606 VanDerWaalsContact C-N 3.34Å; D604-W606 PolarHBondContact O-N 2.88Å; D604-S607 WeakPolarHBondContact O-CA 3.49Å; D604-S607 WeakPolarHBondContact O-CB 3.15Å; D604-S607 PolarHBondContact O-N 3.33Å; D604-S607 VanDerWaalsContact O-N 3.1Å; D604-V608 WeakPolarHBondContact O-CG2 3.4Å; D604-V608 PolarHBondContact O-N 3.01Å
605	M	97.3	Very high	86	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-35.2	177.6	-56.9	-55.3	-55.7	0	0	112.6	L530 S602 L603 S607 V608 G609 L658 R666 I667 V669 A672	L530-M605 HydrophobicContact CD2-CE 3.66Å; L530-M605 HydrophobicContact CD2-SD 4.38Å; S602-M605 WeakPolarHBondContact O-CB 3.39Å; S602-M605 PolarHBondContact O-N 3.09Å; S602-M605 VanDerWaalsContact O-N 3.12Å; L603-M605 VanDerWaalsContact C-N 3.28Å; L603-M605 PolarHBondContact O-N 3.38Å; M605-S607 VanDerWaalsContact C-N 3.34Å; M605-V608 PolarHBondContact O-N 2.95Å; M605-G609 PolarHBondContact O-N 3.46Å; M605-G609 VanDerWaalsContact O-N 3.09Å; M605-L658 HydrophobicContact CB-CD2 4.14Å; M605-L658 HydrophobicContact CE-CD2 3.52Å; M605-L658 WeakPolarHBondContact O-CD2 3.17Å; M605-R666 HydrophobicContact CB-CG 4.42Å; M605-I667 HydrophobicContact CE-CG2 4.46Å; M605-V669 HydrophobicContact CE-CB 4.38Å; M605-V669 HydrophobicContact SD-CB 3.82Å; M605-V669 HydrophobicContact SD-CG2 4.39Å; M605-A672 HydrophobicContact CE-CB 3.83Å
606	W	95.2	Very high	87.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-45.6	170.1	177.4	-80.9	0	0	0	111	L589 A590 P591 S602 L603 D604 V608 G609 V610 F622 I632 A635 L659	L589-W606 PolarHBondContact O-NE1 3.38Å; L589-W606 VanDerWaalsContact O-NE1 3.17Å; A590-W606 HydrophobicContact CB-CB 3.7Å; A590-W606 HydrophobicContact CB-CD2 4.26Å; A590-W606 HydrophobicContact CB-CG 3.75Å; P591-W606 HydrophobicContact CG-CE3 4.19Å; P591-W606 HydrophobicContact CG-CH2 4.01Å; P591-W606 HydrophobicContact CG-CZ3 3.79Å; S602-W606 PolarHBondContact O-N 2.99Å; S602-W606 VanDerWaalsContact O-N 3.13Å; L603-W606 PolarHBondContact O-N 2.85Å; D604-W606 VanDerWaalsContact C-N 3.34Å; D604-W606 PolarHBondContact O-N 2.88Å; W606-V608 VanDerWaalsContact C-N 3.28Å; W606-V608 PolarHBondContact O-N 3.46Å; W606-G609 WeakPolarHBondContact O-CA 3.29Å; W606-G609 PolarHBondContact O-N 3.08Å; W606-V610 PolarHBondContact O-N 3.27Å; W606-F622 HydrophobicContact CH2-CE2 4.43Å; W606-F622 AromaticContact CH2-CZ 3.87Å; W606-F622 HydrophobicContact CH2-CZ 3.87Å; W606-F622 HydrophobicContact CZ2-CE1 4.42Å; W606-F622 AromaticContact CZ2-CE2 3.52Å; W606-F622 HydrophobicContact CZ2-CE2 3.52Å; W606-F622 AromaticContact CZ2-CZ 3.39Å; W606-F622 HydrophobicContact CZ2-CZ 3.39Å; W606-I632 HydrophobicContact CH2-CG2 4.27Å; W606-I632 HydrophobicContact CZ2-CB 4.44Å; W606-I632 HydrophobicContact CZ2-CG1 4.41Å; W606-I632 HydrophobicContact CZ2-CG2 3.83Å; W606-A635 HydrophobicContact CH2-CB 4.41Å; W606-L659 HydrophobicContact CD2-CD2 3.97Å; W606-L659 HydrophobicContact CE3-CD2 4.25Å; W606-L659 HydrophobicContact CG-CD2 4.34Å; W606-L659 HydrophobicContact CZ2-CD2 4.43Å
607	S	95.1	Very high	88.8	Confident	6 Å²	6	20.4 Å²	20.4	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-39.8	178.2	-51.6	0	0	0	0	111.3	Y588 L603 D604 M605 G609 V610 I611	Y588-S607 PolarHBondContact O-OG 3.34Å; L603-S607 PolarHBondContact O-N 2.78Å; L603-S607 PolarHBondContact O-OG 3.18Å; L603-S607 VanDerWaalsContact O-OG 3.09Å; D604-S607 WeakPolarHBondContact O-CA 3.49Å; D604-S607 WeakPolarHBondContact O-CB 3.15Å; D604-S607 PolarHBondContact O-N 3.33Å; D604-S607 VanDerWaalsContact O-N 3.1Å; M605-S607 VanDerWaalsContact C-N 3.34Å; S607-G609 VanDerWaalsContact C-N 3.31Å; S607-G609 PolarHBondContact O-N 3.08Å; S607-V610 PolarHBondContact O-N 2.72Å; S607-I611 WeakPolarHBondContact O-CB 3.41Å; S607-I611 WeakPolarHBondContact O-CD1 3.23Å; S607-I611 WeakPolarHBondContact O-CG1 3.34Å; S607-I611 PolarHBondContact O-N 3.03Å
608	V	98.3	Very high	90.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-39.1	172.2	174.8	0	0	0	0	111.7	I526 I529 L530 L533 L546 D604 M605 W606 I611 T612 L658	I526-V608 HydrophobicContact CG2-CG1 4.23Å; I529-V608 HydrophobicContact CG2-CG2 3.96Å; L530-V608 HydrophobicContact CD2-CG1 4.24Å; L533-V608 HydrophobicContact CD1-CG2 3.53Å; L546-V608 HydrophobicContact CD1-CG2 4.32Å; D604-V608 WeakPolarHBondContact O-CG2 3.4Å; D604-V608 PolarHBondContact O-N 3.01Å; M605-V608 PolarHBondContact O-N 2.95Å; W606-V608 VanDerWaalsContact C-N 3.28Å; W606-V608 PolarHBondContact O-N 3.46Å; V608-I611 PolarHBondContact O-N 3.44Å; V608-T612 WeakPolarHBondContact O-CB 3.24Å; V608-T612 PolarHBondContact O-N 2.82Å; V608-T612 PolarHBondContact O-OG1 3.3Å; V608-L658 HydrophobicContact CG1-CD1 4.06Å; V608-L658 HydrophobicContact CG1-CD2 4.45Å
609	G	97.2	Very high	91.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.2	-46.8	174.1	0	0	0	0	0	112.5	M605 W606 S607 T612 Y613	M605-G609 PolarHBondContact O-N 3.46Å; M605-G609 VanDerWaalsContact O-N 3.09Å; W606-G609 WeakPolarHBondContact O-CA 3.29Å; W606-G609 PolarHBondContact O-N 3.08Å; S607-G609 VanDerWaalsContact C-N 3.31Å; S607-G609 PolarHBondContact O-N 3.08Å; G609-T612 PolarHBondContact O-N 3.29Å; G609-Y613 PolarHBondContact O-N 3.21Å
610	V	94.4	Very high	92	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-44.7	176.2	-179.1	0	0	0	0	111	Y588 W606 S607 T612 Y613 V614 F620 P621 F622 L659	Y588-V610 HydrophobicContact CD1-CB 3.8Å; Y588-V610 HydrophobicContact CD1-CG1 3.44Å; Y588-V610 VanDerWaalsContact CD1-CG1 3.44Å; Y588-V610 HydrophobicContact CE1-CB 4.25Å; Y588-V610 HydrophobicContact CE1-CG1 3.57Å; Y588-V610 HydrophobicContact CG-CG1 4.22Å; W606-V610 PolarHBondContact O-N 3.27Å; S607-V610 PolarHBondContact O-N 2.72Å; V610-T612 VanDerWaalsContact C-N 3.33Å; V610-T612 PolarHBondContact O-N 3.14Å; V610-Y613 PolarHBondContact O-N 3.27Å; V610-V614 HydrophobicContact CG1-CG2 4.29Å; V610-V614 VanDerWaalsContact O-CG2 3.29Å; V610-V614 WeakPolarHBondContact O-CG2 3.48Å; V610-V614 PolarHBondContact O-N 2.98Å; V610-F620 HydrophobicContact CG1-CD1 4.29Å; V610-P621 HydrophobicContact CB-CG 4.45Å; V610-P621 HydrophobicContact CG1-CG 4.05Å; V610-P621 HydrophobicContact CG2-CG 4.21Å; V610-F622 HydrophobicContact CG2-CE2 4.1Å; V610-L659 HydrophobicContact CG2-CD2 3.9Å
611	I	96.8	Very high	91.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-43.2	177	-69	159.8	0	0	0	110.9	M505 I526 I529 L546 P548 I551 Y588 S607 V608 V614 A615	M505-I611 HydrophobicContact CE-CG2 3.97Å; M505-I611 HydrophobicContact SD-CG2 4.01Å; I526-I611 HydrophobicContact CD1-CG2 3.94Å; I529-I611 HydrophobicContact CD1-CG2 4.37Å; L546-I611 HydrophobicContact CB-CD1 4.06Å; P548-I611 HydrophobicContact CG-CG1 4.31Å; P548-I611 HydrophobicContact CG-CG2 4.49Å; I551-I611 HydrophobicContact CD1-CD1 3.97Å; I551-I611 HydrophobicContact CD1-CG2 4.22Å; Y588-I611 HydrophobicContact CD1-CG1 4.23Å; Y588-I611 HydrophobicContact CE1-CG1 4Å; S607-I611 WeakPolarHBondContact O-CB 3.41Å; S607-I611 WeakPolarHBondContact O-CD1 3.23Å; S607-I611 WeakPolarHBondContact O-CG1 3.34Å; S607-I611 PolarHBondContact O-N 3.03Å; V608-I611 PolarHBondContact O-N 3.44Å; I611-V614 PolarHBondContact O-N 3.28Å; I611-A615 VanDerWaalsContact O-CB 3.25Å; I611-A615 WeakPolarHBondContact O-CB 3.25Å; I611-A615 PolarHBondContact O-N 3.48Å
612	T	98.1	Very high	91.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-42.5	178.6	-53.4	0	0	0	0	111	I526 V608 G609 V610 A615 L616 F654 I655 W677	I526-T612 VanDerWaalsContact CD1-OG1 3.26Å; I526-T612 WeakPolarHBondContact CD1-OG1 3.26Å; I526-T612 HydrophobicContact CG1-CG2 4.36Å; V608-T612 WeakPolarHBondContact O-CB 3.24Å; V608-T612 PolarHBondContact O-N 2.82Å; V608-T612 PolarHBondContact O-OG1 3.3Å; G609-T612 PolarHBondContact O-N 3.29Å; V610-T612 VanDerWaalsContact C-N 3.33Å; V610-T612 PolarHBondContact O-N 3.14Å; T612-A615 PolarHBondContact O-N 3.23Å; T612-L616 HydrophobicContact CG2-CD1 3.99Å; T612-L616 WeakPolarHBondContact O-CG 3.41Å; T612-L616 PolarHBondContact O-N 2.95Å; T612-F654 HydrophobicContact CG2-CD1 4.12Å; T612-F654 HydrophobicContact CG2-CE1 4.27Å; T612-I655 HydrophobicContact CG2-CD1 4.15Å; T612-I655 HydrophobicContact CG2-CG1 3.82Å; T612-W677 HydrophobicContact CG2-CH2 3.65Å; T612-W677 HydrophobicContact CG2-CZ3 3.84Å
613	Y	94.2	Very high	90.2	Very high	8 Å²	8	14.4 Å²	14.4	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-48.5	175.4	-172	-75.1	0	0	0	111.7	G609 V610 L616 S617 T619 P621 F637 L638 F639 W644 I655	G609-Y613 PolarHBondContact O-N 3.21Å; V610-Y613 PolarHBondContact O-N 3.27Å; Y613-L616 PolarHBondContact O-N 3.44Å; Y613-S617 WeakPolarHBondContact CD1-OG 3.31Å; Y613-S617 WeakPolarHBondContact CE1-OG 3.38Å; Y613-S617 WeakPolarHBondContact O-CB 3.35Å; Y613-S617 PolarHBondContact O-N 3.32Å; Y613-S617 PolarHBondContact O-OG 2.97Å; Y613-T619 WeakPolarHBondContact CD1-O 3.41Å; Y613-T619 WeakPolarHBondContact CE1-O 3.44Å; Y613-P621 HydrophobicContact CD1-CB 3.83Å; Y613-P621 HydrophobicContact CD1-CG 4.1Å; Y613-P621 HydrophobicContact CD2-CB 3.81Å; Y613-P621 HydrophobicContact CE1-CB 3.98Å; Y613-P621 HydrophobicContact CE2-CB 3.94Å; Y613-P621 HydrophobicContact CG-CB 3.76Å; Y613-P621 HydrophobicContact CG-CG 4.07Å; Y613-F637 HydrophobicContact CE2-CD2 4.27Å; Y613-L638 WeakPolarHBondContact CE2-O 3.23Å; Y613-L638 PolarHBondContact OH-O 3.04Å; Y613-F639 HydrophobicContact CD2-CD1 4.48Å; Y613-F639 HydrophobicContact CD2-CE1 4.01Å; Y613-F639 AromaticContact CE2-CD1 3.98Å; Y613-F639 HydrophobicContact CE2-CD1 3.98Å; Y613-F639 AromaticContact CE2-CE1 3.93Å; Y613-F639 HydrophobicContact CE2-CE1 3.93Å; Y613-W644 AromaticContact CD1-CZ2 3.98Å; Y613-W644 HydrophobicContact CD1-CZ2 3.98Å; Y613-W644 AromaticContact CD2-CH2 3.68Å; Y613-W644 HydrophobicContact CD2-CH2 3.68Å; Y613-W644 AromaticContact CD2-CZ2 3.36Å; Y613-W644 HydrophobicContact CD2-CZ2 3.36Å; Y613-W644 AromaticContact CE1-CZ2 3.88Å; Y613-W644 HydrophobicContact CE1-CZ2 3.88Å; Y613-W644 AromaticContact CE2-CE2 3.88Å; Y613-W644 HydrophobicContact CE2-CH2 4.01Å; Y613-W644 AromaticContact CE2-CZ2 3.27Å; Y613-W644 HydrophobicContact CE2-CZ2 3.27Å; Y613-W644 HydrophobicContact CG-CH2 4.05Å; Y613-W644 AromaticContact CG-CZ2 3.73Å; Y613-W644 HydrophobicContact CG-CZ2 3.73Å; Y613-W644 AromaticContact CZ-CE2 3.95Å; Y613-W644 AromaticContact CZ-CZ2 3.53Å; Y613-W644 AromaticContact CZ-NE1 3.85Å; Y613-I655 HydrophobicContact CD2-CD1 4.44Å; Y613-I655 HydrophobicContact CD2-CG2 4.32Å
614	V	90.7	Very high	88.8	Confident	6 Å²	6	21 Å²	21	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-40.6	178.9	173.9	0	0	0	0	111.1	I509 V610 I611 L616 G618 T619 F620	I509-V614 HydrophobicContact CD1-CG1 4.33Å; V610-V614 HydrophobicContact CG1-CG2 4.29Å; V610-V614 VanDerWaalsContact O-CG2 3.29Å; V610-V614 WeakPolarHBondContact O-CG2 3.48Å; V610-V614 PolarHBondContact O-N 2.98Å; I611-V614 PolarHBondContact O-N 3.28Å; V614-L616 PolarHBondContact O-N 3.14Å; V614-G618 VanDerWaalsContact O-CA 3.25Å; V614-G618 WeakPolarHBondContact O-CA 3.1Å; V614-G618 PolarHBondContact O-N 3.49Å; V614-T619 WeakPolarHBondContact CA-O 3.44Å; V614-T619 WeakPolarHBondContact CG2-O 3.1Å; V614-F620 HydrophobicContact CG2-CD1 3.87Å; V614-F620 HydrophobicContact CG2-CE1 4.06Å; V614-F620 HydrophobicContact CG2-CG 4.24Å
615	A	93.9	Very high	87	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-43.9	178	0	0	0	0	0	112.1	M505 I509 L517 I611 T612	M505-A615 HydrophobicContact CE-CB 3.76Å; I509-A615 HydrophobicContact CD1-CB 4.4Å; L517-A615 HydrophobicContact CD1-CB 4.37Å; L517-A615 PolarHBondContact N-O 2.8Å; I611-A615 VanDerWaalsContact O-CB 3.25Å; I611-A615 WeakPolarHBondContact O-CB 3.25Å; I611-A615 PolarHBondContact O-N 3.48Å; T612-A615 PolarHBondContact O-N 3.23Å
616	L	94.1	Very high	84.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-80.4	-29.2	-175.7	-70.4	174.2	0	0	0	114	R516 E519 S522 T612 Y613 V614 W644 V647 A651 I655 W677	R516-L616 VanDerWaalsContact CD-O 3.29Å; R516-L616 WeakPolarHBondContact CD-O 3.5Å; R516-L616 PolarHBondContact NH1-O 3.37Å; E519-L616 HydrophobicContact CB-CD2 4.47Å; E519-L616 HydrophobicContact CG-CD2 3.75Å; S522-L616 WeakPolarHBondContact OG-CD2 3.47Å; T612-L616 HydrophobicContact CG2-CD1 3.99Å; T612-L616 WeakPolarHBondContact O-CG 3.41Å; T612-L616 PolarHBondContact O-N 2.95Å; Y613-L616 PolarHBondContact O-N 3.44Å; V614-L616 PolarHBondContact O-N 3.14Å; L616-W644 HydrophobicContact CB-CH2 4.17Å; L616-W644 HydrophobicContact CB-CZ3 4.34Å; L616-W644 HydrophobicContact CD1-CZ3 4.35Å; L616-V647 HydrophobicContact CD1-CG1 4.16Å; L616-A651 HydrophobicContact CD1-CB 3.98Å; L616-I655 HydrophobicContact CD1-CD1 4.19Å; L616-W677 HydrophobicContact CD1-CH2 4.47Å; L616-W677 HydrophobicContact CD1-CZ2 4.07Å; L616-W677 HydrophobicContact CD2-CZ2 4.42Å
617	S	88.5	Confident	83.6	Confident	9 Å²	9	41 Å²	41	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-110.5	-23.2	-174.6	71	0	0	0	0	115.2	Y613 T619	Y613-S617 WeakPolarHBondContact CD1-OG 3.31Å; Y613-S617 WeakPolarHBondContact CE1-OG 3.38Å; Y613-S617 WeakPolarHBondContact O-CB 3.35Å; Y613-S617 PolarHBondContact O-N 3.32Å; Y613-S617 PolarHBondContact O-OG 2.97Å; S617-T619 PolarHBondContact O-N 3.24Å; S617-T619 PolarHBondContact OG-N 3.13Å; S617-T619 VanDerWaalsContact OG-N 3.1Å; S617-T619 PolarHBondContact OG-O 3.1Å; S617-T619 PolarHBondContact OG-OG1 2.9Å
618	G	85.2	Confident	82.3	Confident	35 Å²	35	42.2 Å²	42.2	36%	0.361	22%	0.219	S	C	.	.	S	Bend	trans	74.7	5	-169.5	0	0	0	0	0	114	G515 V614	G515-G618 VanDerWaalsContact O-CA 3.25Å; G515-G618 WeakPolarHBondContact O-CA 3.38Å; V614-G618 VanDerWaalsContact O-CA 3.25Å; V614-G618 WeakPolarHBondContact O-CA 3.1Å; V614-G618 PolarHBondContact O-N 3.49Å
619	T	82.8	Confident	81	Confident	70 Å²	70	46.2 Å²	46.2	43%	0.429	24%	0.24	S	C	.	.	S	Bend	trans	-126.3	158.5	-175.7	60.3	0	0	0	0	111.2	Y613 V614 S617	Y613-T619 WeakPolarHBondContact CD1-O 3.41Å; Y613-T619 WeakPolarHBondContact CE1-O 3.44Å; V614-T619 WeakPolarHBondContact CA-O 3.44Å; V614-T619 WeakPolarHBondContact CG2-O 3.1Å; S617-T619 PolarHBondContact O-N 3.24Å; S617-T619 PolarHBondContact OG-N 3.13Å; S617-T619 VanDerWaalsContact OG-N 3.1Å; S617-T619 PolarHBondContact OG-O 3.1Å; S617-T619 PolarHBondContact OG-OG1 2.9Å
620	F	84.6	Confident	79.8	Confident	83 Å²	83	50 Å²	50	36%	0.364	26%	0.26	S	S	.	.			trans	-82	143.7	173.9	-77.6	-86.9	0	0	0	111.3	A587 Y588 V610 V614 F622	A587-F620 HydrophobicContact CB-CD1 3.7Å; A587-F620 HydrophobicContact CB-CE1 3.6Å; A587-F620 HydrophobicContact CB-CZ 4.46Å; Y588-F620 HydrophobicContact CD2-CE1 4.49Å; Y588-F620 HydrophobicContact CE1-CE1 4.18Å; Y588-F620 AromaticContact CE2-CE1 3.64Å; Y588-F620 HydrophobicContact CE2-CE1 3.64Å; Y588-F620 HydrophobicContact CE2-CZ 4.1Å; Y588-F620 AromaticContact CZ-CE1 3.45Å; Y588-F620 VanDerWaalsContact CZ-CE1 3.45Å; Y588-F620 AromaticContact CZ-CZ 3.94Å; Y588-F620 WeakPolarHBondContact OH-CE1 3.39Å; Y588-F620 VanDerWaalsContact OH-CZ 3.3Å; Y588-F620 WeakPolarHBondContact OH-CZ 3.5Å; V610-F620 HydrophobicContact CG1-CD1 4.29Å; V614-F620 HydrophobicContact CG2-CD1 3.87Å; V614-F620 HydrophobicContact CG2-CE1 4.06Å; V614-F620 HydrophobicContact CG2-CG 4.24Å; F620-F622 VanDerWaalsContact C-N 3.27Å; F620-F622 PolarHBondContact O-N 2.8Å
621	P	78.6	Confident	78.8	Confident	10 Å²	10	51.1 Å²	51.1	7%	0.065	27%	0.266	C	S	.	.	S	Bend	trans	-69.9	-23.7	176.9	25	-30.9	0	0	0	113.4	V610 Y613 F637 L659	V610-P621 HydrophobicContact CB-CG 4.45Å; V610-P621 HydrophobicContact CG1-CG 4.05Å; V610-P621 HydrophobicContact CG2-CG 4.21Å; Y613-P621 HydrophobicContact CD1-CB 3.83Å; Y613-P621 HydrophobicContact CD1-CG 4.1Å; Y613-P621 HydrophobicContact CD2-CB 3.81Å; Y613-P621 HydrophobicContact CE1-CB 3.98Å; Y613-P621 HydrophobicContact CE2-CB 3.94Å; Y613-P621 HydrophobicContact CG-CB 3.76Å; Y613-P621 HydrophobicContact CG-CG 4.07Å; P621-F637 HydrophobicContact CB-CB 4.07Å; P621-F637 HydrophobicContact CB-CD2 4.5Å; P621-F637 HydrophobicContact CB-CG 4.37Å; P621-F637 VanDerWaalsContact O-CB 3.24Å; P621-F637 WeakPolarHBondContact O-CB 3.48Å; P621-L659 HydrophobicContact CB-CD1 4.38Å; P621-L659 HydrophobicContact CG-CD1 4.48Å
622	F	78.5	Confident	77.6	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.266	C	S	.	.	S	Bend	trans	-117.7	131.2	-177.6	-49.9	-65.3	0	0	0	109.6	W606 V610 F620 I628 Q631 I632 F637 L659	W606-F622 HydrophobicContact CH2-CE2 4.43Å; W606-F622 AromaticContact CH2-CZ 3.87Å; W606-F622 HydrophobicContact CH2-CZ 3.87Å; W606-F622 HydrophobicContact CZ2-CE1 4.42Å; W606-F622 AromaticContact CZ2-CE2 3.52Å; W606-F622 HydrophobicContact CZ2-CE2 3.52Å; W606-F622 AromaticContact CZ2-CZ 3.39Å; W606-F622 HydrophobicContact CZ2-CZ 3.39Å; V610-F622 HydrophobicContact CG2-CE2 4.1Å; F620-F622 VanDerWaalsContact C-N 3.27Å; F620-F622 PolarHBondContact O-N 2.8Å; F622-I628 HydrophobicContact CB-CD1 4.48Å; F622-I628 HydrophobicContact CB-CG1 4.02Å; F622-Q631 HydrophobicContact CD1-CB 4.07Å; F622-I632 HydrophobicContact CB-CG1 4.43Å; F622-I632 HydrophobicContact CD1-CG1 4.19Å; F622-I632 HydrophobicContact CD2-CG1 3.88Å; F622-I632 HydrophobicContact CE1-CG1 4.47Å; F622-I632 HydrophobicContact CE2-CG1 4.2Å; F622-I632 HydrophobicContact CG-CG1 3.89Å; F622-I632 HydrophobicContact CZ-CG1 4.48Å; F622-F637 HydrophobicContact CD1-CB 4.29Å; F622-F637 HydrophobicContact CE1-CB 3.98Å; F622-F637 AromaticContact CE1-CD1 3.92Å; F622-F637 HydrophobicContact CE1-CD1 3.92Å; F622-F637 HydrophobicContact CE1-CG 4.32Å; F622-F637 HydrophobicContact CZ-CD1 4.22Å; F622-L659 HydrophobicContact CZ-CD1 4.45Å
623	N	66.5	Low	76.4	Confident	64 Å²	64	55.3 Å²	55.3	34%	0.342	28%	0.284	S	S	.	.			trans	-78.1	128	-176.3	-171.4	-3	0	0	0	110.3	E625 E626	N623-E625 VanDerWaalsContact C-N 3.29Å; N623-E625 PolarHBondContact O-N 3.19Å; N623-E625 PolarHBondContact OD1-N 2.86Å; N623-E626 HydrophobicContact CB-CB 4.38Å; N623-E626 PolarHBondContact ND2-OE1 3.44Å
624	E	61.3	Low	75.6	Confident	144 Å²	144	58.5 Å²	58.5	67%	0.673	31%	0.307	S	S	*	.	S	Bend	trans	-72.1	-21.5	176.7	-65.1	-169.1	166.6	0	0	113.2
625	E	55.2	Low	75	Confident	179 Å²	179	59.3 Å²	59.3	84%	0.836	31%	0.314	S	S	*	.	S	Bend	trans	-83.7	-21.4	-176.9	-60.6	-171.4	166.1	0	0	113.6	N623	N623-E625 VanDerWaalsContact C-N 3.29Å; N623-E625 PolarHBondContact O-N 3.19Å; N623-E625 PolarHBondContact OD1-N 2.86Å
626	E	54.5	Low	74.2	Confident	119 Å²	119	62.6 Å²	62.6	56%	0.556	34%	0.338	S	S	*	.	S	Bend	trans	-93.4	-178.4	177.7	-74.2	177.6	-143.3	0	0	111.9	N623 I628 Q631	N623-E626 HydrophobicContact CB-CB 4.38Å; N623-E626 PolarHBondContact ND2-OE1 3.44Å; E626-I628 PolarHBondContact O-N 3.1Å; E626-Q631 PolarHBondContact OE2-NE2 2.8Å
627	D	66.5	Low	73.7	Confident	124 Å²	124	64.2 Å²	64.2	66%	0.663	35%	0.345	S	S	*	.			trans	-65.3	73.1	168.2	-76.9	-46	0	0	0	110.1	L629 D630 Q631	D627-L629 PolarHBondContact O-N 2.72Å; D627-D630 HydrophobicContact CB-CB 4.07Å; D627-D630 WeakPolarHBondContact O-CA 3.25Å; D627-D630 PolarHBondContact O-N 2.99Å; D627-Q631 PolarHBondContact O-N 3.48Å; D627-Q631 VanDerWaalsContact O-N 3.13Å
628	I	68.1	Low	73.5	Confident	31 Å²	31	70.1 Å²	70.1	16%	0.159	38%	0.375	C	S	.	.	H	α-helix	trans	-50.1	-35.1	-179.1	-167.6	176	0	0	0	111.8	F622 E626 D630 Q631 I632	F622-I628 HydrophobicContact CB-CD1 4.48Å; F622-I628 HydrophobicContact CB-CG1 4.02Å; E626-I628 PolarHBondContact O-N 3.1Å; I628-D630 VanDerWaalsContact C-N 3.32Å; I628-D630 PolarHBondContact O-N 3.24Å; I628-Q631 PolarHBondContact O-N 3.03Å; I628-I632 HydrophobicContact CD1-CD1 4.42Å; I628-I632 HydrophobicContact CG1-CD1 3.9Å; I628-I632 HydrophobicContact CG1-CG1 4.44Å; I628-I632 WeakPolarHBondContact O-CB 3.37Å; I628-I632 VanDerWaalsContact O-CG1 3.23Å; I628-I632 WeakPolarHBondContact O-CG1 3.47Å; I628-I632 PolarHBondContact O-N 3.4Å
629	L	70.6	Confident	73.7	Confident	84 Å²	84	71 Å²	71	44%	0.44	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-37.7	177.3	-63.2	175.4	0	0	0	111.7	L594 D627 K633	L594-L629 HydrophobicContact CD1-CD2 3.61Å; L594-L629 HydrophobicContact CD2-CD2 3.73Å; L594-L629 HydrophobicContact CG-CD2 4.25Å; D627-L629 PolarHBondContact O-N 2.72Å; L629-K633 WeakPolarHBondContact O-CB 3.44Å; L629-K633 WeakPolarHBondContact O-CD 3.32Å; L629-K633 WeakPolarHBondContact O-CG 3.37Å; L629-K633 PolarHBondContact O-N 2.78Å
630	D	73.1	Confident	73.7	Confident	80 Å²	80	70.8 Å²	70.8	43%	0.428	37%	0.369	S	S	.	.	H	α-helix	trans	-79.4	-34.2	-179.6	-69.3	-15	0	0	0	111.6	D627 I628 K633 S634	D627-D630 HydrophobicContact CB-CB 4.07Å; D627-D630 WeakPolarHBondContact O-CA 3.25Å; D627-D630 PolarHBondContact O-N 2.99Å; I628-D630 VanDerWaalsContact C-N 3.32Å; I628-D630 PolarHBondContact O-N 3.24Å; D630-K633 PolarHBondContact O-N 2.65Å; D630-K633 IonicContact OD1-NZ 3.84Å; D630-K633 PolarHBondContact OD1-NZ 3.26Å; D630-S634 WeakPolarHBondContact O-CB 3.25Å; D630-S634 PolarHBondContact O-N 3.07Å; D630-S634 PolarHBondContact O-OG 2.9Å
631	Q	72.4	Confident	73.7	Confident	24 Å²	24	71.8 Å²	71.8	11%	0.112	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-48	168.8	-66.5	-174	-0.6	0	0	111.6	F622 E626 D627 I628 K633 S634 A635 S636	F622-Q631 HydrophobicContact CD1-CB 4.07Å; E626-Q631 PolarHBondContact OE2-NE2 2.8Å; D627-Q631 PolarHBondContact O-N 3.48Å; D627-Q631 VanDerWaalsContact O-N 3.13Å; I628-Q631 PolarHBondContact O-N 3.03Å; Q631-K633 PolarHBondContact O-N 3Å; Q631-S634 CarbonylContact O-C 3.46Å; Q631-S634 PolarHBondContact O-N 3.43Å; Q631-S634 PolarHBondContact O-OG 3.24Å; Q631-A635 CarbonylContact O-C 3.52Å; Q631-A635 VanDerWaalsContact O-CA 3.28Å; Q631-A635 WeakPolarHBondContact O-CA 3.38Å; Q631-A635 PolarHBondContact O-N 2.89Å; Q631-S636 PolarHBondContact O-N 3.46Å
632	I	73.3	Confident	73.7	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.01	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-42.5	176.9	-71	168.6	0	0	0	111.2	P591 L594 W606 F622 I628 S634 A635	P591-I632 HydrophobicContact CB-CG2 3.84Å; P591-I632 HydrophobicContact CG-CG2 4.36Å; L594-I632 HydrophobicContact CD1-CB 4.39Å; L594-I632 HydrophobicContact CD1-CG2 3.83Å; W606-I632 HydrophobicContact CH2-CG2 4.27Å; W606-I632 HydrophobicContact CZ2-CB 4.44Å; W606-I632 HydrophobicContact CZ2-CG1 4.41Å; W606-I632 HydrophobicContact CZ2-CG2 3.83Å; F622-I632 HydrophobicContact CB-CG1 4.43Å; F622-I632 HydrophobicContact CD1-CG1 4.19Å; F622-I632 HydrophobicContact CD2-CG1 3.88Å; F622-I632 HydrophobicContact CE1-CG1 4.47Å; F622-I632 HydrophobicContact CE2-CG1 4.2Å; F622-I632 HydrophobicContact CG-CG1 3.89Å; F622-I632 HydrophobicContact CZ-CG1 4.48Å; I628-I632 HydrophobicContact CD1-CD1 4.42Å; I628-I632 HydrophobicContact CG1-CD1 3.9Å; I628-I632 HydrophobicContact CG1-CG1 4.44Å; I628-I632 WeakPolarHBondContact O-CB 3.37Å; I628-I632 VanDerWaalsContact O-CG1 3.23Å; I628-I632 WeakPolarHBondContact O-CG1 3.47Å; I628-I632 PolarHBondContact O-N 3.4Å; I632-S634 VanDerWaalsContact C-N 3.29Å; I632-S634 PolarHBondContact O-N 3.03Å; I632-A635 PolarHBondContact O-N 3.48Å
633	K	73	Confident	74	Confident	86 Å²	86	78.6 Å²	78.6	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-31.6	177.9	-77.9	171.2	-156.3	159	0	113.3	L629 D630 Q631 V661	L629-K633 WeakPolarHBondContact O-CB 3.44Å; L629-K633 WeakPolarHBondContact O-CD 3.32Å; L629-K633 WeakPolarHBondContact O-CG 3.37Å; L629-K633 PolarHBondContact O-N 2.78Å; D630-K633 PolarHBondContact O-N 2.65Å; D630-K633 IonicContact OD1-NZ 3.84Å; D630-K633 PolarHBondContact OD1-NZ 3.26Å; Q631-K633 PolarHBondContact O-N 3Å; K633-V661 VanDerWaalsContact O-CG1 3.32Å; K633-V661 WeakPolarHBondContact O-CG1 3.39Å; K633-V661 WeakPolarHBondContact O-CG2 3.31Å
634	S	76.5	Confident	75.2	Confident	74 Å²	74	76 Å²	76	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-93.7	-10.1	178.5	55.8	0	0	0	0	113.2	D630 Q631 I632 S636	D630-S634 WeakPolarHBondContact O-CB 3.25Å; D630-S634 PolarHBondContact O-N 3.07Å; D630-S634 PolarHBondContact O-OG 2.9Å; Q631-S634 CarbonylContact O-C 3.46Å; Q631-S634 PolarHBondContact O-N 3.43Å; Q631-S634 PolarHBondContact O-OG 3.24Å; I632-S634 VanDerWaalsContact C-N 3.29Å; I632-S634 PolarHBondContact O-N 3.03Å; S634-S636 PolarHBondContact O-N 3.22Å; S634-S636 WeakPolarHBondContact OG-CB 3.41Å; S634-S636 PolarHBondContact OG-N 3.3Å
635	A	78.4	Confident	76.6	Confident	23 Å²	23	73.3 Å²	73.3	19%	0.19	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	41.2	-161.4	0	0	0	0	0	111.6	W606 Q631 I632 F637 L659 V661	W606-A635 HydrophobicContact CH2-CB 4.41Å; Q631-A635 CarbonylContact O-C 3.52Å; Q631-A635 VanDerWaalsContact O-CA 3.28Å; Q631-A635 WeakPolarHBondContact O-CA 3.38Å; Q631-A635 PolarHBondContact O-N 2.89Å; I632-A635 PolarHBondContact O-N 3.48Å; A635-F637 HydrophobicContact CB-CD1 4.42Å; A635-F637 HydrophobicContact CB-CE1 4.19Å; A635-F637 WeakPolarHBondContact O-CD1 3.42Å; A635-F637 WeakPolarHBondContact O-CE1 3.49Å; A635-F637 PolarHBondContact O-N 3.39Å; A635-L659 WeakPolarHBondContact CB-O 3.44Å; A635-V661 HydrophobicContact CB-CG2 3.4Å; A635-V661 VanDerWaalsContact CB-CG2 3.4Å
636	S	77.5	Confident	78.3	Confident	70 Å²	70	69.4 Å²	69.4	49%	0.49	39%	0.385	S	S	.	.			trans	-82.7	98.1	174.4	-171.7	0	0	0	0	108.5	Q631 S634	Q631-S636 PolarHBondContact O-N 3.46Å; S634-S636 PolarHBondContact O-N 3.22Å; S634-S636 WeakPolarHBondContact OG-CB 3.41Å; S634-S636 PolarHBondContact OG-N 3.3Å
637	F	82.4	Confident	80.2	Confident	35 Å²	35	64.2 Å²	64.2	15%	0.154	36%	0.361	C	S	.	.			trans	-138.8	159.3	171.7	62	-84.3	0	0	0	108.8	Y613 P621 F622 A635 F639 I655 L659	Y613-F637 HydrophobicContact CE2-CD2 4.27Å; P621-F637 HydrophobicContact CB-CB 4.07Å; P621-F637 HydrophobicContact CB-CD2 4.5Å; P621-F637 HydrophobicContact CB-CG 4.37Å; P621-F637 VanDerWaalsContact O-CB 3.24Å; P621-F637 WeakPolarHBondContact O-CB 3.48Å; F622-F637 HydrophobicContact CD1-CB 4.29Å; F622-F637 HydrophobicContact CE1-CB 3.98Å; F622-F637 AromaticContact CE1-CD1 3.92Å; F622-F637 HydrophobicContact CE1-CD1 3.92Å; F622-F637 HydrophobicContact CE1-CG 4.32Å; F622-F637 HydrophobicContact CZ-CD1 4.22Å; A635-F637 HydrophobicContact CB-CD1 4.42Å; A635-F637 HydrophobicContact CB-CE1 4.19Å; A635-F637 WeakPolarHBondContact O-CD1 3.42Å; A635-F637 WeakPolarHBondContact O-CE1 3.49Å; A635-F637 PolarHBondContact O-N 3.39Å; F637-F639 HydrophobicContact CD2-CE2 4.23Å; F637-F639 HydrophobicContact CD2-CZ 4.21Å; F637-F639 HydrophobicContact CE2-CE1 4.3Å; F637-F639 AromaticContact CE2-CE2 3.64Å; F637-F639 HydrophobicContact CE2-CE2 3.64Å; F637-F639 AromaticContact CE2-CZ 3.5Å; F637-F639 HydrophobicContact CE2-CZ 3.5Å; F637-F639 HydrophobicContact CZ-CZ 4.49Å; F637-I655 HydrophobicContact CE2-CG2 4.15Å; F637-I655 HydrophobicContact CZ-CG2 4.48Å; F637-L659 HydrophobicContact CD1-CD1 4.21Å; F637-L659 HydrophobicContact CD2-CD1 4.27Å; F637-L659 HydrophobicContact CE1-CB 3.58Å; F637-L659 HydrophobicContact CE1-CD1 3.83Å; F637-L659 HydrophobicContact CE1-CG 4.37Å; F637-L659 HydrophobicContact CE2-CD1 3.87Å; F637-L659 HydrophobicContact CG-CD1 4.43Å; F637-L659 HydrophobicContact CZ-CB 3.68Å; F637-L659 HydrophobicContact CZ-CD1 3.66Å; F637-L659 HydrophobicContact CZ-CG 4.27Å
638	L	85.6	Confident	81.7	Confident	133 Å²	133	60.3 Å²	60.3	70%	0.696	34%	0.344	S	S	*	.			trans	-121.1	161.6	-175.6	-64.9	173.8	0	0	0	111.2	Y613 P640	Y613-L638 WeakPolarHBondContact CE2-O 3.23Å; Y613-L638 PolarHBondContact OH-O 3.04Å; L638-P640 WeakPolarHBondContact O-CD 3.31Å
639	F	88.7	Confident	83	Confident	52 Å²	52	64.5 Å²	64.5	23%	0.228	37%	0.367	C	S	.	.			trans	-115.4	82.3	168.6	-62	-77.5	0	0	0	108.5	Y613 F637 W644 I652 I655 Q656	Y613-F639 HydrophobicContact CD2-CD1 4.48Å; Y613-F639 HydrophobicContact CD2-CE1 4.01Å; Y613-F639 AromaticContact CE2-CD1 3.98Å; Y613-F639 HydrophobicContact CE2-CD1 3.98Å; Y613-F639 AromaticContact CE2-CE1 3.93Å; Y613-F639 HydrophobicContact CE2-CE1 3.93Å; F637-F639 HydrophobicContact CD2-CE2 4.23Å; F637-F639 HydrophobicContact CD2-CZ 4.21Å; F637-F639 HydrophobicContact CE2-CE1 4.3Å; F637-F639 AromaticContact CE2-CE2 3.64Å; F637-F639 HydrophobicContact CE2-CE2 3.64Å; F637-F639 AromaticContact CE2-CZ 3.5Å; F637-F639 HydrophobicContact CE2-CZ 3.5Å; F637-F639 HydrophobicContact CZ-CZ 4.49Å; F639-W644 HydrophobicContact CB-CB 4.11Å; F639-W644 HydrophobicContact CB-CD2 4.22Å; F639-W644 HydrophobicContact CB-CG 3.9Å; F639-W644 AromaticContact CD1-CD2 3.48Å; F639-W644 HydrophobicContact CD1-CD2 3.48Å; F639-W644 VanDerWaalsContact CD1-CD2 3.48Å; F639-W644 AromaticContact CD1-CE2 3.63Å; F639-W644 AromaticContact CD1-CE3 3.51Å; F639-W644 HydrophobicContact CD1-CE3 3.51Å; F639-W644 HydrophobicContact CD1-CG 4.08Å; F639-W644 AromaticContact CD1-CH2 3.91Å; F639-W644 HydrophobicContact CD1-CH2 3.91Å; F639-W644 AromaticContact CD1-CZ2 3.86Å; F639-W644 HydrophobicContact CD1-CZ2 3.86Å; F639-W644 AromaticContact CD1-CZ3 3.73Å; F639-W644 HydrophobicContact CD1-CZ3 3.73Å; F639-W644 HydrophobicContact CE1-CD2 4.32Å; F639-W644 AromaticContact CE1-CE3 4Å; F639-W644 HydrophobicContact CE1-CE3 4Å; F639-W644 AromaticContact CE1-CH2 3.8Å; F639-W644 HydrophobicContact CE1-CH2 3.8Å; F639-W644 HydrophobicContact CE1-CZ2 4.11Å; F639-W644 AromaticContact CE1-CZ3 3.72Å; F639-W644 HydrophobicContact CE1-CZ3 3.72Å; F639-W644 HydrophobicContact CG-CD2 4.33Å; F639-I652 HydrophobicContact CD1-CG1 4.35Å; F639-I652 HydrophobicContact CD2-CG2 4.01Å; F639-I652 HydrophobicContact CE1-CG1 4.35Å; F639-I652 HydrophobicContact CE1-CG2 4.25Å; F639-I652 HydrophobicContact CE2-CG2 3.69Å; F639-I652 HydrophobicContact CG-CG2 4.41Å; F639-I652 HydrophobicContact CZ-CG2 3.78Å; F639-I655 HydrophobicContact CE1-CB 4.5Å; F639-I655 HydrophobicContact CE1-CD1 4.17Å; F639-I655 HydrophobicContact CE1-CG2 4.21Å; F639-I655 HydrophobicContact CZ-CB 4.29Å; F639-I655 HydrophobicContact CZ-CG2 3.97Å; F639-Q656 HydrophobicContact CE2-CG 3.98Å; F639-Q656 HydrophobicContact CZ-CG 4.16Å
640	P	83.5	Confident	84.3	Confident	67 Å²	67	65.3 Å²	65.3	44%	0.435	37%	0.367	S	S	.	.			trans	-57.6	146.3	179.6	-24	33.5	0	0	0	111.9	L638 H642 W644	L638-P640 WeakPolarHBondContact O-CD 3.31Å; P640-H642 CarbonylContact O-C 3.48Å; P640-H642 PolarHBondContact O-N 3.34Å; P640-W644 VanDerWaalsContact O-CB 3.27Å; P640-W644 WeakPolarHBondContact O-CB 3.45Å; P640-W644 PolarHBondContact O-N 3.05Å
641	S	83.2	Confident	85.5	Confident	103 Å²	103	61.5 Å²	61.5	72%	0.72	35%	0.346	S	S	*	.	H	α-helix	trans	-50.4	-38.4	-176.3	54.2	0	0	0	0	113.3	W644 S645	S641-W644 PolarHBondContact O-N 2.76Å; S641-S645 WeakPolarHBondContact O-CB 3.38Å; S641-S645 PolarHBondContact O-N 3.36Å; S641-S645 PolarHBondContact O-OG 3.24Å; S641-S645 VanDerWaalsContact O-OG 3.07Å
642	H	80	Confident	86.7	Confident	143 Å²	143	61.7 Å²	61.7	66%	0.662	35%	0.348	S	S	*	.	H	α-helix	trans	-106.4	127.8	167.8	-168.5	50.5	0	0	0	110.4	P640	P640-H642 CarbonylContact O-C 3.48Å; P640-H642 PolarHBondContact O-N 3.34Å
643	P	84.8	Confident	87.9	Confident	13 Å²	13	66.4 Å²	66.4	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	cis	-91.6	7.2	1.2	36.2	-34.6	0	0	0	115.5	S645 D646	P643-S645 VanDerWaalsContact C-N 3.29Å; P643-S645 PolarHBondContact O-N 2.87Å; P643-D646 PolarHBondContact O-N 2.71Å
644	W	90.7	Very high	89.1	Confident	10 Å²	10	62.3 Å²	62.3	4%	0.038	35%	0.352	C	S	.	.	H	α-helix	trans	-73.5	-14	-167.9	-63.4	94.3	0	0	0	115	Y613 L616 F639 P640 S641 D646 V647 I652 I655	Y613-W644 AromaticContact CD1-CZ2 3.98Å; Y613-W644 HydrophobicContact CD1-CZ2 3.98Å; Y613-W644 AromaticContact CD2-CH2 3.68Å; Y613-W644 HydrophobicContact CD2-CH2 3.68Å; Y613-W644 AromaticContact CD2-CZ2 3.36Å; Y613-W644 HydrophobicContact CD2-CZ2 3.36Å; Y613-W644 AromaticContact CE1-CZ2 3.88Å; Y613-W644 HydrophobicContact CE1-CZ2 3.88Å; Y613-W644 AromaticContact CE2-CE2 3.88Å; Y613-W644 HydrophobicContact CE2-CH2 4.01Å; Y613-W644 AromaticContact CE2-CZ2 3.27Å; Y613-W644 HydrophobicContact CE2-CZ2 3.27Å; Y613-W644 HydrophobicContact CG-CH2 4.05Å; Y613-W644 AromaticContact CG-CZ2 3.73Å; Y613-W644 HydrophobicContact CG-CZ2 3.73Å; Y613-W644 AromaticContact CZ-CE2 3.95Å; Y613-W644 AromaticContact CZ-CZ2 3.53Å; Y613-W644 AromaticContact CZ-NE1 3.85Å; L616-W644 HydrophobicContact CB-CH2 4.17Å; L616-W644 HydrophobicContact CB-CZ3 4.34Å; L616-W644 HydrophobicContact CD1-CZ3 4.35Å; F639-W644 HydrophobicContact CB-CB 4.11Å; F639-W644 HydrophobicContact CB-CD2 4.22Å; F639-W644 HydrophobicContact CB-CG 3.9Å; F639-W644 AromaticContact CD1-CD2 3.48Å; F639-W644 HydrophobicContact CD1-CD2 3.48Å; F639-W644 VanDerWaalsContact CD1-CD2 3.48Å; F639-W644 AromaticContact CD1-CE2 3.63Å; F639-W644 AromaticContact CD1-CE3 3.51Å; F639-W644 HydrophobicContact CD1-CE3 3.51Å; F639-W644 HydrophobicContact CD1-CG 4.08Å; F639-W644 AromaticContact CD1-CH2 3.91Å; F639-W644 HydrophobicContact CD1-CH2 3.91Å; F639-W644 AromaticContact CD1-CZ2 3.86Å; F639-W644 HydrophobicContact CD1-CZ2 3.86Å; F639-W644 AromaticContact CD1-CZ3 3.73Å; F639-W644 HydrophobicContact CD1-CZ3 3.73Å; F639-W644 HydrophobicContact CE1-CD2 4.32Å; F639-W644 AromaticContact CE1-CE3 4Å; F639-W644 HydrophobicContact CE1-CE3 4Å; F639-W644 AromaticContact CE1-CH2 3.8Å; F639-W644 HydrophobicContact CE1-CH2 3.8Å; F639-W644 HydrophobicContact CE1-CZ2 4.11Å; F639-W644 AromaticContact CE1-CZ3 3.72Å; F639-W644 HydrophobicContact CE1-CZ3 3.72Å; F639-W644 HydrophobicContact CG-CD2 4.33Å; P640-W644 VanDerWaalsContact O-CB 3.27Å; P640-W644 WeakPolarHBondContact O-CB 3.45Å; P640-W644 PolarHBondContact O-N 3.05Å; S641-W644 PolarHBondContact O-N 2.76Å; W644-D646 PolarHBondContact O-N 3.13Å; W644-V647 HydrophobicContact CE3-CB 3.87Å; W644-V647 HydrophobicContact CE3-CG1 3.78Å; W644-V647 HydrophobicContact CE3-CG2 4Å; W644-V647 HydrophobicContact CZ3-CB 4.42Å; W644-V647 HydrophobicContact CZ3-CG1 3.87Å; W644-V647 HydrophobicContact CZ3-CG2 4.46Å; W644-V647 PolarHBondContact O-N 3Å; W644-V647 VanDerWaalsContact O-N 3.12Å; W644-I652 HydrophobicContact CE3-CG1 4.07Å; W644-I652 HydrophobicContact CZ3-CG1 4.38Å; W644-I655 HydrophobicContact CH2-CD1 3.41Å; W644-I655 VanDerWaalsContact CH2-CD1 3.41Å; W644-I655 HydrophobicContact CZ3-CD1 3.64Å
645	S	90.6	Very high	90.1	Very high	87 Å²	87	58.8 Å²	58.8	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.7	168.8	60.8	0	0	0	0	113.2	S641 P643 V647	S641-S645 WeakPolarHBondContact O-CB 3.38Å; S641-S645 PolarHBondContact O-N 3.36Å; S641-S645 PolarHBondContact O-OG 3.24Å; S641-S645 VanDerWaalsContact O-OG 3.07Å; P643-S645 VanDerWaalsContact C-N 3.29Å; P643-S645 PolarHBondContact O-N 2.87Å; S645-V647 VanDerWaalsContact C-N 3.33Å
646	D	90.7	Very high	90.9	Very high	97 Å²	97	61.9 Å²	61.9	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.4	-179.7	-56	-16.2	0	0	0	112.1	R516 P643 W644	R516-D646 IonicContact NH2-OD2 2.8Å; R516-D646 PolarHBondContact NH2-OD2 3.48Å; P643-D646 PolarHBondContact O-N 2.71Å; W644-D646 PolarHBondContact O-N 3.13Å
647	V	95.2	Very high	91.9	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	32%	0.324	C	S	.	.	S	Bend	trans	-107.6	133.9	-175.2	178.5	0	0	0	0	108.6	L616 W644 S645 A651 I652	L616-V647 HydrophobicContact CD1-CG1 4.16Å; W644-V647 HydrophobicContact CE3-CB 3.87Å; W644-V647 HydrophobicContact CE3-CG1 3.78Å; W644-V647 HydrophobicContact CE3-CG2 4Å; W644-V647 HydrophobicContact CZ3-CB 4.42Å; W644-V647 HydrophobicContact CZ3-CG1 3.87Å; W644-V647 HydrophobicContact CZ3-CG2 4.46Å; W644-V647 PolarHBondContact O-N 3Å; W644-V647 VanDerWaalsContact O-N 3.12Å; S645-V647 VanDerWaalsContact C-N 3.33Å; V647-A651 HydrophobicContact CG1-CB 3.61Å; V647-I652 HydrophobicContact CG1-CG1 4.49Å
648	S	96.7	Very high	92.6	Very high	42 Å²	42	58.2 Å²	58.2	29%	0.294	32%	0.316	S	S	.	.			trans	-65	146	-178.5	60.9	0	0	0	0	112.6	E519 K650 A651 I652	E519-S648 VanDerWaalsContact CD-OG 3.29Å; E519-S648 VanDerWaalsContact OE1-CB 3.31Å; E519-S648 WeakPolarHBondContact OE1-CB 3.45Å; E519-S648 PolarHBondContact OE1-N 3.47Å; E519-S648 PolarHBondContact OE1-OG 3.3Å; E519-S648 PolarHBondContact OE2-OG 3.46Å; S648-K650 PolarHBondContact O-N 3.18Å; S648-A651 VanDerWaalsContact O-CB 3.3Å; S648-A651 WeakPolarHBondContact O-CB 3.19Å; S648-A651 PolarHBondContact O-N 2.99Å; S648-A651 PolarHBondContact OG-N 3.19Å; S648-I652 PolarHBondContact O-N 3.33Å
649	D	96.8	Very high	93.1	Very high	120 Å²	120	52 Å²	52	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-56.5	-36.3	175.2	-61.4	-43.9	0	0	0	111.6	A651 I652 E653	D649-A651 VanDerWaalsContact C-N 3.27Å; D649-A651 PolarHBondContact O-N 3.05Å; D649-I652 WeakPolarHBondContact O-CA 3.44Å; D649-I652 WeakPolarHBondContact O-CB 3.32Å; D649-I652 PolarHBondContact O-N 3.36Å; D649-E653 WeakPolarHBondContact O-CG 3.25Å; D649-E653 PolarHBondContact O-N 2.88Å
650	K	97.9	Very high	93.3	Very high	101 Å²	101	52.4 Å²	52.4	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-37.1	174.5	-67	-173.3	173.2	-167.2	0	112.8	S648 F654 H675 D676 W677	S648-K650 PolarHBondContact O-N 3.18Å; K650-F654 WeakPolarHBondContact O-CB 3.2Å; K650-F654 PolarHBondContact O-N 3.19Å; K650-H675 PolarHBondContact O-CE1 2.91Å; K650-D676 HydrophobicContact CD-CB 4.13Å; K650-D676 IonicContact NZ-OD2 3.74Å; K650-W677 HydrophobicContact CB-CB 4.17Å
651	A	97.9	Very high	93.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-39.4	176.4	0	0	0	0	0	111.3	L616 V647 S648 D649 F654 I655 W677	L616-A651 HydrophobicContact CD1-CB 3.98Å; V647-A651 HydrophobicContact CG1-CB 3.61Å; S648-A651 VanDerWaalsContact O-CB 3.3Å; S648-A651 WeakPolarHBondContact O-CB 3.19Å; S648-A651 PolarHBondContact O-N 2.99Å; S648-A651 PolarHBondContact OG-N 3.19Å; D649-A651 VanDerWaalsContact C-N 3.27Å; D649-A651 PolarHBondContact O-N 3.05Å; A651-F654 WeakPolarHBondContact O-CB 3.41Å; A651-F654 PolarHBondContact O-N 2.72Å; A651-I655 WeakPolarHBondContact O-CG1 3.28Å; A651-I655 PolarHBondContact O-N 3.45Å; A651-W677 VanDerWaalsContact CA-CD1 3.49Å; A651-W677 HydrophobicContact CB-CD2 4.3Å; A651-W677 HydrophobicContact CB-CG 4.24Å; A651-W677 HydrophobicContact CB-CZ2 4.3Å
652	I	97.3	Very high	93.7	Very high	27 Å²	27	53 Å²	53	14%	0.138	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-48.2	176.4	-66.6	174.9	0	0	0	110.2	F639 W644 V647 S648 D649 F654 I655 Q656	F639-I652 HydrophobicContact CD1-CG1 4.35Å; F639-I652 HydrophobicContact CD2-CG2 4.01Å; F639-I652 HydrophobicContact CE1-CG1 4.35Å; F639-I652 HydrophobicContact CE1-CG2 4.25Å; F639-I652 HydrophobicContact CE2-CG2 3.69Å; F639-I652 HydrophobicContact CG-CG2 4.41Å; F639-I652 HydrophobicContact CZ-CG2 3.78Å; W644-I652 HydrophobicContact CE3-CG1 4.07Å; W644-I652 HydrophobicContact CZ3-CG1 4.38Å; V647-I652 HydrophobicContact CG1-CG1 4.49Å; S648-I652 PolarHBondContact O-N 3.33Å; D649-I652 WeakPolarHBondContact O-CA 3.44Å; D649-I652 WeakPolarHBondContact O-CB 3.32Å; D649-I652 PolarHBondContact O-N 3.36Å; I652-F654 VanDerWaalsContact C-N 3.29Å; I652-F654 PolarHBondContact O-N 3.31Å; I652-I655 PolarHBondContact O-N 2.93Å; I652-Q656 HydrophobicContact CG2-CG 4.43Å; I652-Q656 WeakPolarHBondContact O-CB 3.46Å; I652-Q656 VanDerWaalsContact O-CG 3.31Å; I652-Q656 WeakPolarHBondContact O-CG 3.44Å; I652-Q656 PolarHBondContact O-N 3.36Å
653	E	97.5	Very high	94.1	Very high	102 Å²	102	49.4 Å²	49.4	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-42.4	174.7	-72.7	173.9	-178.8	0	0	111.7	D649 Q656 S657	D649-E653 WeakPolarHBondContact O-CG 3.25Å; D649-E653 PolarHBondContact O-N 2.88Å; E653-Q656 PolarHBondContact O-N 3.03Å; E653-S657 WeakPolarHBondContact O-CB 3.22Å; E653-S657 PolarHBondContact O-N 2.74Å
654	F	98.5	Very high	94.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-48.9	176.5	-177.4	-107.7	0	0	0	111.6	I526 L530 T612 K650 A651 I652 Q656 S657 L658 A672 H675 W677 L678	I526-F654 HydrophobicContact CG2-CE1 3.9Å; I526-F654 HydrophobicContact CG2-CZ 4.02Å; L530-F654 HydrophobicContact CD1-CZ 4.16Å; T612-F654 HydrophobicContact CG2-CD1 4.12Å; T612-F654 HydrophobicContact CG2-CE1 4.27Å; K650-F654 WeakPolarHBondContact O-CB 3.2Å; K650-F654 PolarHBondContact O-N 3.19Å; A651-F654 WeakPolarHBondContact O-CB 3.41Å; A651-F654 PolarHBondContact O-N 2.72Å; I652-F654 VanDerWaalsContact C-N 3.29Å; I652-F654 PolarHBondContact O-N 3.31Å; F654-Q656 PolarHBondContact O-N 2.85Å; F654-S657 PolarHBondContact O-N 3.18Å; F654-S657 PolarHBondContact O-OG 2.97Å; F654-L658 HydrophobicContact CD1-CD1 3.76Å; F654-L658 HydrophobicContact CE1-CD1 3.35Å; F654-L658 HydrophobicContact CE2-CD1 4.27Å; F654-L658 HydrophobicContact CG-CD1 4.37Å; F654-L658 HydrophobicContact CZ-CD1 3.65Å; F654-L658 WeakPolarHBondContact O-CG 3.45Å; F654-L658 PolarHBondContact O-N 3.26Å; F654-A672 HydrophobicContact CE2-CB 4.02Å; F654-A672 HydrophobicContact CZ-CB 4.42Å; F654-H675 HydrophobicContact CD2-CB 3.78Å; F654-H675 AromaticContact CD2-CD2 4Å; F654-H675 AromaticContact CD2-CG 3.51Å; F654-H675 AromaticContact CD2-ND1 3.53Å; F654-H675 HydrophobicContact CE2-CB 4.06Å; F654-W677 HydrophobicContact CB-CB 4.08Å; F654-W677 HydrophobicContact CB-CD2 4.38Å; F654-W677 HydrophobicContact CB-CE3 4.12Å; F654-W677 HydrophobicContact CB-CG 4.4Å; F654-W677 HydrophobicContact CD1-CD2 4.28Å; F654-W677 AromaticContact CD1-CE3 3.29Å; F654-W677 HydrophobicContact CD1-CE3 3.29Å; F654-W677 AromaticContact CD1-CZ3 3.48Å; F654-W677 HydrophobicContact CD1-CZ3 3.48Å; F654-W677 VanDerWaalsContact CD1-CZ3 3.48Å; F654-W677 HydrophobicContact CD2-CE3 4.27Å; F654-W677 AromaticContact CE1-CE3 3.65Å; F654-W677 HydrophobicContact CE1-CE3 3.65Å; F654-W677 AromaticContact CE1-CZ3 3.52Å; F654-W677 HydrophobicContact CE1-CZ3 3.52Å; F654-W677 HydrophobicContact CG-CB 4.45Å; F654-W677 HydrophobicContact CG-CD2 4.36Å; F654-W677 AromaticContact CG-CE3 3.63Å; F654-W677 HydrophobicContact CG-CE3 3.63Å; F654-W677 HydrophobicContact CG-CZ3 4.29Å; F654-W677 HydrophobicContact CZ-CE3 4.26Å; F654-W677 HydrophobicContact CZ-CZ3 4.35Å; F654-L678 HydrophobicContact CE2-CD1 3.68Å; F654-L678 HydrophobicContact CZ-CD1 3.72Å
655	I	97.9	Very high	94.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-45.2	176.4	-68.8	168.3	0	0	0	111	T612 Y613 L616 F637 F639 W644 A651 I652 S657 L658 L659	T612-I655 HydrophobicContact CG2-CD1 4.15Å; T612-I655 HydrophobicContact CG2-CG1 3.82Å; Y613-I655 HydrophobicContact CD2-CD1 4.44Å; Y613-I655 HydrophobicContact CD2-CG2 4.32Å; L616-I655 HydrophobicContact CD1-CD1 4.19Å; F637-I655 HydrophobicContact CE2-CG2 4.15Å; F637-I655 HydrophobicContact CZ-CG2 4.48Å; F639-I655 HydrophobicContact CE1-CB 4.5Å; F639-I655 HydrophobicContact CE1-CD1 4.17Å; F639-I655 HydrophobicContact CE1-CG2 4.21Å; F639-I655 HydrophobicContact CZ-CB 4.29Å; F639-I655 HydrophobicContact CZ-CG2 3.97Å; W644-I655 HydrophobicContact CH2-CD1 3.41Å; W644-I655 VanDerWaalsContact CH2-CD1 3.41Å; W644-I655 HydrophobicContact CZ3-CD1 3.64Å; A651-I655 WeakPolarHBondContact O-CG1 3.28Å; A651-I655 PolarHBondContact O-N 3.45Å; I652-I655 PolarHBondContact O-N 2.93Å; I655-S657 VanDerWaalsContact C-N 3.26Å; I655-S657 PolarHBondContact O-N 3.1Å; I655-L658 PolarHBondContact O-N 3.28Å; I655-L658 VanDerWaalsContact O-N 3.08Å; I655-L659 HydrophobicContact CG2-CD1 3.64Å; I655-L659 HydrophobicContact CG2-CG 4.11Å; I655-L659 PolarHBondContact O-N 2.68Å
656	Q	96.5	Very high	94.7	Very high	88 Å²	88	56.9 Å²	56.9	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-34.9	178.7	-73.2	174.8	-12.6	0	0	111.9	F639 I652 E653 F654 L658 Q660	F639-Q656 HydrophobicContact CE2-CG 3.98Å; F639-Q656 HydrophobicContact CZ-CG 4.16Å; I652-Q656 HydrophobicContact CG2-CG 4.43Å; I652-Q656 WeakPolarHBondContact O-CB 3.46Å; I652-Q656 VanDerWaalsContact O-CG 3.31Å; I652-Q656 WeakPolarHBondContact O-CG 3.44Å; I652-Q656 PolarHBondContact O-N 3.36Å; E653-Q656 PolarHBondContact O-N 3.03Å; F654-Q656 PolarHBondContact O-N 2.85Å; Q656-L658 VanDerWaalsContact C-N 3.3Å; Q656-L658 PolarHBondContact O-N 3.42Å; Q656-Q660 WeakPolarHBondContact O-CG 3.44Å; Q656-Q660 PolarHBondContact O-NE2 2.94Å
657	S	97.3	Very high	95	Very high	27 Å²	27	53.3 Å²	53.3	19%	0.189	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-25.8	176	81	0	0	0	0	113.6	E653 F654 I655 I667	E653-S657 WeakPolarHBondContact O-CB 3.22Å; E653-S657 PolarHBondContact O-N 2.74Å; F654-S657 PolarHBondContact O-N 3.18Å; F654-S657 PolarHBondContact O-OG 2.97Å; I655-S657 VanDerWaalsContact C-N 3.26Å; I655-S657 PolarHBondContact O-N 3.1Å; S657-I667 PolarHBondContact O-N 3.22Å; S657-I667 WeakPolarHBondContact OG-CG2 3.31Å
658	L	97.5	Very high	95	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-87.6	-42.5	178.2	-69.7	163.2	0	0	0	112.6	M605 V608 F654 I655 Q656 Q660 R666 I667	M605-L658 HydrophobicContact CB-CD2 4.14Å; M605-L658 HydrophobicContact CE-CD2 3.52Å; M605-L658 WeakPolarHBondContact O-CD2 3.17Å; V608-L658 HydrophobicContact CG1-CD1 4.06Å; V608-L658 HydrophobicContact CG1-CD2 4.45Å; F654-L658 HydrophobicContact CD1-CD1 3.76Å; F654-L658 HydrophobicContact CE1-CD1 3.35Å; F654-L658 HydrophobicContact CE2-CD1 4.27Å; F654-L658 HydrophobicContact CG-CD1 4.37Å; F654-L658 HydrophobicContact CZ-CD1 3.65Å; F654-L658 WeakPolarHBondContact O-CG 3.45Å; F654-L658 PolarHBondContact O-N 3.26Å; I655-L658 PolarHBondContact O-N 3.28Å; I655-L658 VanDerWaalsContact O-N 3.08Å; Q656-L658 VanDerWaalsContact C-N 3.3Å; Q656-L658 PolarHBondContact O-N 3.42Å; L658-Q660 PolarHBondContact O-N 2.72Å; L658-R666 WeakPolarHBondContact O-CD 3.46Å; L658-R666 VanDerWaalsContact O-CG 3.24Å; L658-R666 WeakPolarHBondContact O-CG 3.46Å; L658-I667 HydrophobicContact CD2-CG2 3.35Å; L658-I667 HydrophobicContact CG-CG2 3.76Å
659	L	95	Very high	95.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-84.8	51.9	-178.1	-62.5	-175.8	0	0	0	112.1	W606 V610 P621 F622 A635 F637 I655	W606-L659 HydrophobicContact CD2-CD2 3.97Å; W606-L659 HydrophobicContact CE3-CD2 4.25Å; W606-L659 HydrophobicContact CG-CD2 4.34Å; W606-L659 HydrophobicContact CZ2-CD2 4.43Å; V610-L659 HydrophobicContact CG2-CD2 3.9Å; P621-L659 HydrophobicContact CB-CD1 4.38Å; P621-L659 HydrophobicContact CG-CD1 4.48Å; F622-L659 HydrophobicContact CZ-CD1 4.45Å; A635-L659 WeakPolarHBondContact CB-O 3.44Å; F637-L659 HydrophobicContact CD1-CD1 4.21Å; F637-L659 HydrophobicContact CD2-CD1 4.27Å; F637-L659 HydrophobicContact CE1-CB 3.58Å; F637-L659 HydrophobicContact CE1-CD1 3.83Å; F637-L659 HydrophobicContact CE1-CG 4.37Å; F637-L659 HydrophobicContact CE2-CD1 3.87Å; F637-L659 HydrophobicContact CG-CD1 4.43Å; F637-L659 HydrophobicContact CZ-CB 3.68Å; F637-L659 HydrophobicContact CZ-CD1 3.66Å; F637-L659 HydrophobicContact CZ-CG 4.27Å; I655-L659 HydrophobicContact CG2-CD1 3.64Å; I655-L659 HydrophobicContact CG2-CG 4.11Å; I655-L659 PolarHBondContact O-N 2.68Å
660	Q	93.2	Very high	95	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	28%	0.275	S	S	.	.			trans	-98.2	125.2	177.1	-68.9	-68.3	-39.4	0	0	111.1	Q656 L658 K665 R666	Q656-Q660 WeakPolarHBondContact O-CG 3.44Å; Q656-Q660 PolarHBondContact O-NE2 2.94Å; L658-Q660 PolarHBondContact O-N 2.72Å; Q660-K665 HydrophobicContact CB-CB 4.27Å; Q660-K665 HydrophobicContact CG-CB 4.25Å; Q660-R666 HydrophobicContact CB-CB 4.03Å; Q660-R666 HydrophobicContact CB-CG 4.41Å; Q660-R666 PolarHBondContact O-NE 3.06Å; Q660-R666 PolarHBondContact O-NH2 3.37Å
661	V	88.6	Confident	95	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	28%	0.282	S	S	.	.	S	Bend	trans	-63.6	-44	175.1	-176	0	0	0	0	111	P591 K633 A635 I663	P591-V661 HydrophobicContact CB-CG1 4.33Å; P591-V661 HydrophobicContact CG-CB 4.49Å; P591-V661 HydrophobicContact CG-CG1 4.15Å; K633-V661 VanDerWaalsContact O-CG1 3.32Å; K633-V661 WeakPolarHBondContact O-CG1 3.39Å; K633-V661 WeakPolarHBondContact O-CG2 3.31Å; A635-V661 HydrophobicContact CB-CG2 3.4Å; A635-V661 VanDerWaalsContact CB-CG2 3.4Å; V661-I663 PolarHBondContact O-N 3.37Å
662	K	87	Confident	95	Very high	135 Å²	135	55.9 Å²	55.9	59%	0.587	28%	0.282	S	S	*	.	S	Bend	trans	-74	110.8	175.5	-69.1	-172.7	179.6	-175.3	0	108.6	S664 K665 R666	K662-S664 PolarHBondContact O-N 3.01Å; K662-S664 VanDerWaalsContact O-N 3.14Å; K662-K665 HydrophobicContact CB-CB 4.2Å; K662-K665 HydrophobicContact CB-CD 4.41Å; K662-K665 HydrophobicContact CB-CG 4.1Å; K662-K665 HydrophobicContact CD-CD 4.31Å; K662-K665 PolarHBondContact O-N 2.84Å; K662-R666 PolarHBondContact O-N 3.23Å
663	I	89.3	Confident	95	Very high	66 Å²	66	55.7 Å²	55.7	34%	0.338	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-49.6	-40.7	176.4	-66.5	162.1	0	0	0	111.8	E592 S602 V661 K665 R666	E592-I663 HydrophobicContact CB-CD1 3.87Å; E592-I663 HydrophobicContact CG-CD1 3.91Å; E592-I663 HydrophobicContact CG-CG1 4.39Å; S602-I663 WeakPolarHBondContact OG-CG2 3.32Å; V661-I663 PolarHBondContact O-N 3.37Å; I663-K665 PolarHBondContact O-N 3.33Å; I663-R666 WeakPolarHBondContact O-CB 3.39Å; I663-R666 PolarHBondContact O-N 3.04Å; I663-R666 VanDerWaalsContact O-N 3.08Å
664	S	88.5	Confident	95	Very high	116 Å²	116	56.5 Å²	56.5	81%	0.811	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.9	-23	179.6	56.3	0	0	0	0	114.6	K662	K662-S664 PolarHBondContact O-N 3.01Å; K662-S664 VanDerWaalsContact O-N 3.14Å
665	K	93.3	Very high	95	Very high	137 Å²	137	58 Å²	58	60%	0.596	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-90.8	-15.7	173.9	-67.3	-166.7	171.6	-166	0	112.6	Q660 K662 I663	Q660-K665 HydrophobicContact CB-CB 4.27Å; Q660-K665 HydrophobicContact CG-CB 4.25Å; K662-K665 HydrophobicContact CB-CB 4.2Å; K662-K665 HydrophobicContact CB-CD 4.41Å; K662-K665 HydrophobicContact CB-CG 4.1Å; K662-K665 HydrophobicContact CD-CD 4.31Å; K662-K665 PolarHBondContact O-N 2.84Å; I663-K665 PolarHBondContact O-N 3.33Å
666	R	96.1	Very high	94.9	Very high	14 Å²	14	62.5 Å²	62.5	5%	0.053	32%	0.318	C	S	.	.	S	Bend	trans	-70.5	130.8	-179.5	-163.5	176.1	-57.7	153	4.4	109.9	E592 S602 M605 L658 Q660 K662 I663	E592-R666 IonicContact OE1-CZ 3.5Å; E592-R666 IonicContact OE1-NH1 2.61Å; E592-R666 PolarHBondContact OE1-NH1 3.42Å; E592-R666 IonicContact OE1-NH2 2.78Å; E592-R666 IonicContact OE2-CZ 3.71Å; E592-R666 IonicContact OE2-NH1 2.83Å; E592-R666 IonicContact OE2-NH2 3.59Å; E592-R666 PolarHBondContact OE2-NH2 3.24Å; S602-R666 VanDerWaalsContact C-NH1 3.29Å; S602-R666 VanDerWaalsContact O-CD 3.32Å; S602-R666 WeakPolarHBondContact O-CD 3.43Å; S602-R666 PolarHBondContact O-NH1 2.93Å; S602-R666 PolarHBondContact OG-NH1 3.26Å; M605-R666 HydrophobicContact CB-CG 4.42Å; L658-R666 WeakPolarHBondContact O-CD 3.46Å; L658-R666 VanDerWaalsContact O-CG 3.24Å; L658-R666 WeakPolarHBondContact O-CG 3.46Å; Q660-R666 HydrophobicContact CB-CB 4.03Å; Q660-R666 HydrophobicContact CB-CG 4.41Å; Q660-R666 PolarHBondContact O-NE 3.06Å; Q660-R666 PolarHBondContact O-NH2 3.37Å; K662-R666 PolarHBondContact O-N 3.23Å; I663-R666 WeakPolarHBondContact O-CB 3.39Å; I663-R666 PolarHBondContact O-N 3.04Å; I663-R666 VanDerWaalsContact O-N 3.08Å
667	I	96.9	Very high	95	Very high	22 Å²	22	58.4 Å²	58.4	11%	0.113	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.1	138.6	179.3	-162.2	167.8	0	0	0	111	M605 S657 L658 K671 A672	M605-I667 HydrophobicContact CE-CG2 4.46Å; S657-I667 PolarHBondContact O-N 3.22Å; S657-I667 WeakPolarHBondContact OG-CG2 3.31Å; L658-I667 HydrophobicContact CD2-CG2 3.35Å; L658-I667 HydrophobicContact CG-CG2 3.76Å; I667-K671 HydrophobicContact CD1-CB 3.94Å; I667-K671 HydrophobicContact CG1-CB 3.41Å; I667-K671 VanDerWaalsContact CG1-CB 3.41Å; I667-A672 HydrophobicContact CD1-CB 4.26Å; I667-A672 HydrophobicContact CG1-CB 4.35Å; I667-A672 HydrophobicContact CG2-CB 4.26Å
668	S	96.2	Very high	95	Very high	48 Å²	48	57.2 Å²	57.2	34%	0.336	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-82	162.7	173.4	66.7	0	0	0	0	110.8	Q670 K671 A672	S668-Q670 VanDerWaalsContact C-N 3.3Å; S668-Q670 PolarHBondContact O-N 3.07Å; S668-K671 PolarHBondContact O-N 3.47Å; S668-K671 VanDerWaalsContact O-N 3.14Å; S668-K671 PolarHBondContact OG-N 2.92Å; S668-A672 WeakPolarHBondContact O-CB 3.46Å; S668-A672 PolarHBondContact O-N 2.9Å
669	V	97.5	Very high	94.9	Very high	10 Å²	10	59 Å²	59	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-42.4	178.1	67.5	0	0	0	0	113.1	L530 L533 N534 M605 K671 A672 L673	L530-V669 HydrophobicContact CB-CG2 4.24Å; L530-V669 HydrophobicContact CD2-CG2 4.06Å; L530-V669 WeakPolarHBondContact O-CG2 3.35Å; L533-V669 HydrophobicContact CB-CG2 4.1Å; N534-V669 HydrophobicContact CB-CG1 4.13Å; N534-V669 HydrophobicContact CB-CG2 3.84Å; M605-V669 HydrophobicContact CE-CB 4.38Å; M605-V669 HydrophobicContact SD-CB 3.82Å; M605-V669 HydrophobicContact SD-CG2 4.39Å; V669-K671 PolarHBondContact O-N 3.28Å; V669-A672 PolarHBondContact O-N 3.42Å; V669-L673 WeakPolarHBondContact O-CG 3.29Å; V669-L673 PolarHBondContact O-N 2.88Å
670	Q	96.1	Very high	94.9	Very high	134 Å²	134	61 Å²	61	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-63.5	-42.4	177.7	-67.3	174.4	-23.8	0	0	112.1	S668	S668-Q670 VanDerWaalsContact C-N 3.3Å; S668-Q670 PolarHBondContact O-N 3.07Å
671	K	97.4	Very high	95	Very high	136 Å²	136	60.9 Å²	60.9	59%	0.591	31%	0.309	S	S	*	.	H	α-helix	trans	-70.7	-35.3	176.8	-72.3	-175.4	178.2	-174.4	0	111.8	I667 S668 V669 I674 H675	I667-K671 HydrophobicContact CD1-CB 3.94Å; I667-K671 HydrophobicContact CG1-CB 3.41Å; I667-K671 VanDerWaalsContact CG1-CB 3.41Å; S668-K671 PolarHBondContact O-N 3.47Å; S668-K671 VanDerWaalsContact O-N 3.14Å; S668-K671 PolarHBondContact OG-N 2.92Å; V669-K671 PolarHBondContact O-N 3.28Å; K671-I674 WeakPolarHBondContact O-CG1 3.34Å; K671-I674 PolarHBondContact O-N 2.82Å; K671-H675 PolarHBondContact O-N 3.09Å
672	A	98.2	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-43.2	177.1	0	0	0	0	0	111.1	L530 M605 F654 I667 S668 V669 I674 H675 L678	L530-A672 HydrophobicContact CD1-CB 3.93Å; L530-A672 HydrophobicContact CD2-CB 3.86Å; M605-A672 HydrophobicContact CE-CB 3.83Å; F654-A672 HydrophobicContact CE2-CB 4.02Å; F654-A672 HydrophobicContact CZ-CB 4.42Å; I667-A672 HydrophobicContact CD1-CB 4.26Å; I667-A672 HydrophobicContact CG1-CB 4.35Å; I667-A672 HydrophobicContact CG2-CB 4.26Å; S668-A672 WeakPolarHBondContact O-CB 3.46Å; S668-A672 PolarHBondContact O-N 2.9Å; V669-A672 PolarHBondContact O-N 3.42Å; A672-I674 PolarHBondContact O-N 3.46Å; A672-H675 VanDerWaalsContact O-CB 3.25Å; A672-H675 WeakPolarHBondContact O-CB 3.27Å; A672-H675 PolarHBondContact O-N 2.93Å; A672-L678 VanDerWaalsContact O-CD1 3.22Å; A672-L678 WeakPolarHBondContact O-CD1 3.3Å
673	L	97.4	Very high	95.8	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.12	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-32.2	177.6	-77.3	167.5	0	0	0	113.1	Y527 L530 V531 N534 V669 Q679	Y527-L673 HydrophobicContact CD2-CD2 4.17Å; Y527-L673 HydrophobicContact CE1-CD2 4.42Å; Y527-L673 HydrophobicContact CE2-CD2 3.94Å; L530-L673 HydrophobicContact CB-CD2 3.57Å; L530-L673 HydrophobicContact CB-CG 3.96Å; L530-L673 HydrophobicContact CD1-CD2 4.27Å; V531-L673 HydrophobicContact CG2-CD2 3.94Å; N534-L673 HydrophobicContact CB-CD1 4.28Å; V669-L673 WeakPolarHBondContact O-CG 3.29Å; V669-L673 PolarHBondContact O-N 2.88Å; L673-Q679 PolarHBondContact O-NE2 3.48Å
674	I	96.1	Very high	96.1	Very high	119 Å²	119	55.1 Å²	55.1	61%	0.61	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.9	179.2	64.9	171.3	0	0	0	114.2	K671 A672 Q679	K671-I674 WeakPolarHBondContact O-CG1 3.34Å; K671-I674 PolarHBondContact O-N 2.82Å; A672-I674 PolarHBondContact O-N 3.46Å; I674-Q679 WeakPolarHBondContact O-CG 3.42Å
675	H	98.2	Very high	96.5	Very high	32 Å²	32	50.9 Å²	50.9	15%	0.148	25%	0.248	C	C	.	.	S	Bend	trans	-67.1	139.6	179.7	-171.4	-88.1	0	0	0	111.6	K650 F654 K671 A672 W677 L678 Q679	K650-H675 PolarHBondContact O-CE1 2.91Å; F654-H675 HydrophobicContact CD2-CB 3.78Å; F654-H675 AromaticContact CD2-CD2 4Å; F654-H675 AromaticContact CD2-CG 3.51Å; F654-H675 AromaticContact CD2-ND1 3.53Å; F654-H675 HydrophobicContact CE2-CB 4.06Å; K671-H675 PolarHBondContact O-N 3.09Å; A672-H675 VanDerWaalsContact O-CB 3.25Å; A672-H675 WeakPolarHBondContact O-CB 3.27Å; A672-H675 PolarHBondContact O-N 2.93Å; H675-W677 WeakPolarHBondContact ND1-CB 3.5Å; H675-W677 PolarHBondContact ND1-N 3.34Å; H675-W677 VanDerWaalsContact ND1-N 3.18Å; H675-W677 PolarHBondContact O-N 3.09Å; H675-L678 WeakPolarHBondContact O-CA 3.44Å; H675-L678 PolarHBondContact O-N 3.4Å; H675-Q679 WeakPolarHBondContact O-CG 3.46Å; H675-Q679 PolarHBondContact O-N 2.62Å
676	D	97.2	Very high	96.7	Very high	94 Å²	94	44.5 Å²	44.5	50%	0.503	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-50.6	-36.1	-176.2	-80.1	13.4	0	0	0	114.5	K650 L678 Q679	K650-D676 HydrophobicContact CD-CB 4.13Å; K650-D676 IonicContact NZ-OD2 3.74Å; D676-L678 VanDerWaalsContact C-N 3.26Å; D676-L678 PolarHBondContact O-N 3.18Å; D676-Q679 PolarHBondContact O-N 3.26Å
677	W	98.3	Very high	96.8	Very high	1 Å²	1	44 Å²	44	0%	0.004	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-55.7	-41.8	173.9	-173.6	60.4	0	0	0	111.8	E519 R523 I526 T612 L616 K650 A651 F654 H675	E519-W677 PolarHBondContact OE2-NE1 2.98Å; R523-W677 HydrophobicContact CB-CH2 4.28Å; R523-W677 HydrophobicContact CB-CZ2 4.13Å; R523-W677 VanDerWaalsContact CD-O 3.25Å; R523-W677 WeakPolarHBondContact CD-O 3.22Å; R523-W677 PolarHBondContact NE-O 3Å; I526-W677 HydrophobicContact CB-CZ3 4.22Å; I526-W677 HydrophobicContact CG1-CH2 4.22Å; I526-W677 HydrophobicContact CG1-CZ3 4.26Å; I526-W677 HydrophobicContact CG2-CZ3 4.11Å; T612-W677 HydrophobicContact CG2-CH2 3.65Å; T612-W677 HydrophobicContact CG2-CZ3 3.84Å; L616-W677 HydrophobicContact CD1-CH2 4.47Å; L616-W677 HydrophobicContact CD1-CZ2 4.07Å; L616-W677 HydrophobicContact CD2-CZ2 4.42Å; K650-W677 HydrophobicContact CB-CB 4.17Å; A651-W677 VanDerWaalsContact CA-CD1 3.49Å; A651-W677 HydrophobicContact CB-CD2 4.3Å; A651-W677 HydrophobicContact CB-CG 4.24Å; A651-W677 HydrophobicContact CB-CZ2 4.3Å; F654-W677 HydrophobicContact CB-CB 4.08Å; F654-W677 HydrophobicContact CB-CD2 4.38Å; F654-W677 HydrophobicContact CB-CE3 4.12Å; F654-W677 HydrophobicContact CB-CG 4.4Å; F654-W677 HydrophobicContact CD1-CD2 4.28Å; F654-W677 AromaticContact CD1-CE3 3.29Å; F654-W677 HydrophobicContact CD1-CE3 3.29Å; F654-W677 AromaticContact CD1-CZ3 3.48Å; F654-W677 HydrophobicContact CD1-CZ3 3.48Å; F654-W677 VanDerWaalsContact CD1-CZ3 3.48Å; F654-W677 HydrophobicContact CD2-CE3 4.27Å; F654-W677 AromaticContact CE1-CE3 3.65Å; F654-W677 HydrophobicContact CE1-CE3 3.65Å; F654-W677 AromaticContact CE1-CZ3 3.52Å; F654-W677 HydrophobicContact CE1-CZ3 3.52Å; F654-W677 HydrophobicContact CG-CB 4.45Å; F654-W677 HydrophobicContact CG-CD2 4.36Å; F654-W677 AromaticContact CG-CE3 3.63Å; F654-W677 HydrophobicContact CG-CE3 3.63Å; F654-W677 HydrophobicContact CG-CZ3 4.29Å; F654-W677 HydrophobicContact CZ-CE3 4.26Å; F654-W677 HydrophobicContact CZ-CZ3 4.35Å; H675-W677 WeakPolarHBondContact ND1-CB 3.5Å; H675-W677 PolarHBondContact ND1-N 3.34Å; H675-W677 VanDerWaalsContact ND1-N 3.18Å; H675-W677 PolarHBondContact O-N 3.09Å
678	L	97.7	Very high	96.7	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-87.6	-6.6	-179.2	-70.3	161.8	0	0	0	113.3	R523 I526 Y527 L530 F654 A672 H675 D676 T680 L683	R523-L678 HydrophobicContact CB-CD2 4.41Å; R523-L678 HydrophobicContact CG-CD2 3.44Å; R523-L678 VanDerWaalsContact CG-CD2 3.44Å; R523-L678 HydrophobicContact CG-CG 4.37Å; I526-L678 HydrophobicContact CG2-CD2 4.47Å; Y527-L678 HydrophobicContact CD2-CB 4.33Å; Y527-L678 HydrophobicContact CD2-CD2 4.17Å; L530-L678 HydrophobicContact CD1-CD1 3.42Å; L530-L678 VanDerWaalsContact CD1-CD1 3.42Å; F654-L678 HydrophobicContact CE2-CD1 3.68Å; F654-L678 HydrophobicContact CZ-CD1 3.72Å; A672-L678 VanDerWaalsContact O-CD1 3.22Å; A672-L678 WeakPolarHBondContact O-CD1 3.3Å; H675-L678 WeakPolarHBondContact O-CA 3.44Å; H675-L678 PolarHBondContact O-N 3.4Å; D676-L678 VanDerWaalsContact C-N 3.26Å; D676-L678 PolarHBondContact O-N 3.18Å; L678-T680 PolarHBondContact O-N 3.18Å; L678-L683 HydrophobicContact CB-CD2 4.4Å; L678-L683 HydrophobicContact CD2-CD2 4.22Å; L678-L683 WeakPolarHBondContact O-CD2 3.39Å
679	Q	95.1	Very high	96.7	Very high	38 Å²	38	47.7 Å²	47.7	18%	0.178	23%	0.23	C	C	.	.			trans	-98.9	60.6	-173.5	-66.2	-62.3	-45.7	0	0	111.9	L673 I674 H675 D676	L673-Q679 PolarHBondContact O-NE2 3.48Å; I674-Q679 WeakPolarHBondContact O-CG 3.42Å; H675-Q679 WeakPolarHBondContact O-CG 3.46Å; H675-Q679 PolarHBondContact O-N 2.62Å; D676-Q679 PolarHBondContact O-N 3.26Å
680	T	94.8	Very high	96.7	Very high	43 Å²	43	47.7 Å²	47.7	26%	0.264	23%	0.23	S	C	.	.			trans	-116.3	145.3	-179.4	67.7	0	0	0	0	112.5	L678 Q682 L683 W684	L678-T680 PolarHBondContact O-N 3.18Å; T680-Q682 VanDerWaalsContact C-N 3.29Å; T680-Q682 PolarHBondContact O-N 3.35Å; T680-L683 PolarHBondContact O-N 2.91Å; T680-L683 VanDerWaalsContact OG1-CB 3.31Å; T680-L683 WeakPolarHBondContact OG1-CB 3.37Å; T680-L683 PolarHBondContact OG1-N 3.2Å; T680-W684 PolarHBondContact O-N 3.39Å
681	Y	95	Very high	96.7	Very high	59 Å²	59	41.4 Å²	41.4	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-42.9	177	179.1	-117.5	0	0	0	111.8	L683 W684 C685 W708 V711 N712	Y681-L683 VanDerWaalsContact C-N 3.34Å; Y681-L683 PolarHBondContact O-N 3.49Å; Y681-W684 AromaticContact CD2-CE3 3.95Å; Y681-W684 HydrophobicContact CD2-CE3 3.95Å; Y681-W684 HydrophobicContact CD2-CZ3 4.36Å; Y681-W684 AromaticContact CE2-CE3 3.56Å; Y681-W684 HydrophobicContact CE2-CE3 3.56Å; Y681-W684 AromaticContact CE2-CZ3 3.53Å; Y681-W684 HydrophobicContact CE2-CZ3 3.53Å; Y681-W684 PolarHBondContact O-N 3.15Å; Y681-C685 PolarHBondContact O-N 2.77Å; Y681-C685 PolarHBondContact OH-SG 3.39Å; Y681-W708 HydrophobicContact CD2-CB 3.84Å; Y681-W708 AromaticContact CD2-CD2 3.88Å; Y681-W708 HydrophobicContact CD2-CD2 3.88Å; Y681-W708 AromaticContact CD2-CE3 3.65Å; Y681-W708 HydrophobicContact CD2-CE3 3.65Å; Y681-W708 AromaticContact CD2-CG 3.98Å; Y681-W708 HydrophobicContact CD2-CG 3.98Å; Y681-W708 HydrophobicContact CD2-CZ3 4.49Å; Y681-W708 HydrophobicContact CE2-CB 3.96Å; Y681-W708 HydrophobicContact CG-CE3 4.12Å; Y681-V711 HydrophobicContact CD1-CG1 4.38Å; Y681-V711 HydrophobicContact CD2-CB 4.49Å; Y681-V711 HydrophobicContact CD2-CG1 4.4Å; Y681-V711 HydrophobicContact CG-CG1 4.11Å; Y681-N712 VanDerWaalsContact CZ-OD1 3.23Å; Y681-N712 PolarHBondContact OH-ND2 3.26Å; Y681-N712 PolarHBondContact OH-OD1 3.18Å
682	Q	95.8	Very high	96.6	Very high	85 Å²	85	42 Å²	42	40%	0.397	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-41.3	178.7	-175	58.6	64.2	0	0	112.5	R520 T680 C685 D686	R520-Q682 HydrophobicContact CG-CG 4.34Å; T680-Q682 VanDerWaalsContact C-N 3.29Å; T680-Q682 PolarHBondContact O-N 3.35Å; Q682-C685 WeakPolarHBondContact O-CB 3.14Å; Q682-C685 PolarHBondContact O-N 3.03Å; Q682-D686 PolarHBondContact NE2-OD1 3.17Å; Q682-D686 PolarHBondContact NE2-OD2 3.42Å; Q682-D686 VanDerWaalsContact O-CG 3.23Å; Q682-D686 PolarHBondContact O-N 3.2Å
683	L	97.2	Very high	96.4	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-46.9	175.9	176.4	66.3	0	0	0	110.8	R523 F524 Y527 L678 T680 Y681 C685 D686 L687	R523-L683 HydrophobicContact CG-CD1 4.09Å; R523-L683 HydrophobicContact CG-CD2 3.75Å; R523-L683 HydrophobicContact CG-CG 4.32Å; F524-L683 VanDerWaalsContact CA-CD1 3.48Å; F524-L683 HydrophobicContact CB-CD1 3.97Å; F524-L683 HydrophobicContact CD2-CD1 4.29Å; Y527-L683 HydrophobicContact CD2-CD2 3.68Å; Y527-L683 HydrophobicContact CE2-CD2 4.36Å; Y527-L683 HydrophobicContact CG-CD2 4.1Å; L678-L683 HydrophobicContact CB-CD2 4.4Å; L678-L683 HydrophobicContact CD2-CD2 4.22Å; L678-L683 WeakPolarHBondContact O-CD2 3.39Å; T680-L683 PolarHBondContact O-N 2.91Å; T680-L683 VanDerWaalsContact OG1-CB 3.31Å; T680-L683 WeakPolarHBondContact OG1-CB 3.37Å; T680-L683 PolarHBondContact OG1-N 3.2Å; Y681-L683 VanDerWaalsContact C-N 3.34Å; Y681-L683 PolarHBondContact O-N 3.49Å; L683-C685 VanDerWaalsContact C-N 3.3Å; L683-C685 PolarHBondContact O-N 3.33Å; L683-D686 PolarHBondContact O-N 3.1Å; L683-D686 VanDerWaalsContact O-N 3.15Å; L683-L687 HydrophobicContact CD1-CD1 4.11Å; L683-L687 HydrophobicContact CD1-CD2 4.43Å; L683-L687 HydrophobicContact CD1-CG 4.05Å; L683-L687 HydrophobicContact CD2-CD1 4.25Å; L683-L687 HydrophobicContact CG-CD1 3.79Å; L683-L687 HydrophobicContact CG-CG 4.18Å; L683-L687 VanDerWaalsContact O-CG 3.27Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 2.95Å
684	W	96.1	Very high	96.2	Very high	38 Å²	38	51.4 Å²	51.4	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-44.9	177.8	173.4	85.7	0	0	0	111.3	T680 Y681 D686 L687 R688 D705 W708	T680-W684 PolarHBondContact O-N 3.39Å; Y681-W684 AromaticContact CD2-CE3 3.95Å; Y681-W684 HydrophobicContact CD2-CE3 3.95Å; Y681-W684 HydrophobicContact CD2-CZ3 4.36Å; Y681-W684 AromaticContact CE2-CE3 3.56Å; Y681-W684 HydrophobicContact CE2-CE3 3.56Å; Y681-W684 AromaticContact CE2-CZ3 3.53Å; Y681-W684 HydrophobicContact CE2-CZ3 3.53Å; Y681-W684 PolarHBondContact O-N 3.15Å; W684-D686 PolarHBondContact O-N 3.17Å; W684-L687 PolarHBondContact O-N 2.89Å; W684-R688 HydrophobicContact CD2-CG 4Å; W684-R688 HydrophobicContact CG-CG 4.38Å; W684-R688 HydrophobicContact CH2-CG 4.46Å; W684-R688 HydrophobicContact CZ2-CG 3.89Å; W684-R688 WeakPolarHBondContact O-CB 3.41Å; W684-R688 VanDerWaalsContact O-CG 3.28Å; W684-R688 WeakPolarHBondContact O-CG 3.46Å; W684-R688 PolarHBondContact O-N 2.88Å; W684-D705 HydrophobicContact CZ2-CB 4.44Å; W684-D705 VanDerWaalsContact CZ2-OD1 3.29Å; W684-D705 WeakPolarHBondContact CZ2-OD1 3.48Å; W684-W708 HydrophobicContact CB-CG 4.39Å; W684-W708 AromaticContact CD1-CD1 3.41Å; W684-W708 VanDerWaalsContact CD1-CD1 3.41Å; W684-W708 AromaticContact CD1-NE1 3.74Å; W684-W708 HydrophobicContact CD2-CB 4.08Å; W684-W708 AromaticContact CD2-CD1 3.48Å; W684-W708 VanDerWaalsContact CD2-CD1 3.48Å; W684-W708 AromaticContact CD2-CG 3.92Å; W684-W708 HydrophobicContact CD2-CG 3.92Å; W684-W708 AromaticContact CE2-CD1 3.78Å; W684-W708 HydrophobicContact CE3-CB 4.01Å; W684-W708 HydrophobicContact CE3-CG 4.17Å; W684-W708 AromaticContact CG-CD1 3.25Å; W684-W708 HydrophobicContact CG-CG 4.04Å; W684-W708 AromaticContact CG-NE1 3.57Å; W684-W708 HydrophobicContact CH2-CB 4.37Å; W684-W708 HydrophobicContact CZ2-CB 4.43Å; W684-W708 HydrophobicContact CZ3-CB 4.17Å; W684-W708 AromaticContact NE1-CD1 3.7Å
685	C	95.8	Very high	96	Very high	27 Å²	27	50.5 Å²	50.5	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-47.7	173.9	-74	0	0	0	0	112.7	Y681 Q682 L683 L687 R688 L689	Y681-C685 PolarHBondContact O-N 2.77Å; Y681-C685 PolarHBondContact OH-SG 3.39Å; Q682-C685 WeakPolarHBondContact O-CB 3.14Å; Q682-C685 PolarHBondContact O-N 3.03Å; L683-C685 VanDerWaalsContact C-N 3.3Å; L683-C685 PolarHBondContact O-N 3.33Å; C685-L687 PolarHBondContact O-N 3.33Å; C685-R688 PolarHBondContact O-N 3.34Å; C685-L689 WeakPolarHBondContact O-CG 3.43Å; C685-L689 PolarHBondContact O-N 2.73Å
686	D	97.3	Very high	95.7	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-41.6	-179.2	-65.7	-25	0	0	0	111.5	R520 F524 F559 Q682 L683 W684 L689 L690	R520-D686 IonicContact CZ-OD1 2.97Å; R520-D686 IonicContact CZ-OD2 3Å; R520-D686 IonicContact NE-OD1 2.75Å; R520-D686 IonicContact NE-OD2 3.63Å; R520-D686 PolarHBondContact NE-OD2 2.93Å; R520-D686 IonicContact NH2-OD1 2.82Å; R520-D686 PolarHBondContact NH2-OD1 3.21Å; R520-D686 IonicContact NH2-OD2 3.75Å; R520-D686 PolarHBondContact NH2-OD2 3.34Å; F524-D686 HydrophobicContact CD2-CB 3.8Å; F524-D686 HydrophobicContact CE2-CB 4.08Å; F559-D686 HydrophobicContact CD1-CB 4.08Å; F559-D686 HydrophobicContact CE1-CB 4.25Å; F559-D686 WeakPolarHBondContact CE1-OD2 3.4Å; Q682-D686 PolarHBondContact NE2-OD1 3.17Å; Q682-D686 PolarHBondContact NE2-OD2 3.42Å; Q682-D686 VanDerWaalsContact O-CG 3.23Å; Q682-D686 PolarHBondContact O-N 3.2Å; L683-D686 PolarHBondContact O-N 3.1Å; L683-D686 VanDerWaalsContact O-N 3.15Å; W684-D686 PolarHBondContact O-N 3.17Å; D686-L689 PolarHBondContact O-N 3.3Å; D686-L690 PolarHBondContact O-N 3.17Å; D686-L690 VanDerWaalsContact O-N 3.1Å
687	L	97.7	Very high	95.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-44.4	175.3	-64.7	170.3	0	0	0	111.6	F524 Y527 Q528 L683 W684 C685 L689 L690 E691 L699 T700	F524-L687 HydrophobicContact CD2-CD2 3.81Å; F524-L687 HydrophobicContact CD2-CG 4.29Å; F524-L687 HydrophobicContact CE2-CD2 3.84Å; F524-L687 HydrophobicContact CE2-CG 4.43Å; Y527-L687 HydrophobicContact CD1-CD1 3.52Å; Y527-L687 HydrophobicContact CD1-CD2 3.92Å; Y527-L687 HydrophobicContact CD1-CG 4.41Å; Y527-L687 HydrophobicContact CD2-CD1 4.34Å; Y527-L687 HydrophobicContact CE1-CD1 3.58Å; Y527-L687 HydrophobicContact CE2-CD1 4.39Å; Y527-L687 HydrophobicContact CG-CD1 3.93Å; Y527-L687 HydrophobicContact CG-CD2 4.49Å; Q528-L687 HydrophobicContact CG-CD2 4.43Å; L683-L687 HydrophobicContact CD1-CD1 4.11Å; L683-L687 HydrophobicContact CD1-CD2 4.43Å; L683-L687 HydrophobicContact CD1-CG 4.05Å; L683-L687 HydrophobicContact CD2-CD1 4.25Å; L683-L687 HydrophobicContact CG-CD1 3.79Å; L683-L687 HydrophobicContact CG-CG 4.18Å; L683-L687 VanDerWaalsContact O-CG 3.27Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 2.95Å; W684-L687 PolarHBondContact O-N 2.89Å; C685-L687 PolarHBondContact O-N 3.33Å; L687-L689 VanDerWaalsContact C-N 3.31Å; L687-L689 PolarHBondContact O-N 3.06Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 2.9Å; L687-E691 WeakPolarHBondContact O-CG 3.37Å; L687-E691 PolarHBondContact O-N 3.18Å; L687-L699 HydrophobicContact CD2-CB 4.38Å; L687-L699 HydrophobicContact CD2-CD1 3.81Å; L687-T700 HydrophobicContact CB-CG2 3.75Å; L687-T700 HydrophobicContact CD1-CG2 4.13Å
688	R	95.9	Very high	95.3	Very high	51 Å²	51	55.4 Å²	55.4	19%	0.192	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-36.3	176.7	-68.9	-58.6	-65.7	134.7	-4	112.1	W684 C685 L690 E691 K692 T700	W684-R688 HydrophobicContact CD2-CG 4Å; W684-R688 HydrophobicContact CG-CG 4.38Å; W684-R688 HydrophobicContact CH2-CG 4.46Å; W684-R688 HydrophobicContact CZ2-CG 3.89Å; W684-R688 WeakPolarHBondContact O-CB 3.41Å; W684-R688 VanDerWaalsContact O-CG 3.28Å; W684-R688 WeakPolarHBondContact O-CG 3.46Å; W684-R688 PolarHBondContact O-N 2.88Å; C685-R688 PolarHBondContact O-N 3.34Å; R688-L690 VanDerWaalsContact C-N 3.35Å; R688-E691 WeakPolarHBondContact CD-OE2 3.48Å; R688-E691 IonicContact CZ-OE2 2.73Å; R688-E691 IonicContact NE-OE2 3.19Å; R688-E691 IonicContact NH1-OE2 3.61Å; R688-E691 PolarHBondContact NH1-OE2 3.12Å; R688-E691 PolarHBondContact O-N 3.07Å; R688-K692 WeakPolarHBondContact O-CB 3.4Å; R688-K692 VanDerWaalsContact O-CG 3.29Å; R688-K692 WeakPolarHBondContact O-CG 3.25Å; R688-K692 PolarHBondContact O-N 2.73Å; R688-T700 WeakPolarHBondContact CD-OG1 3.36Å; R688-T700 HydrophobicContact CG-CG2 4.48Å
689	L	96.5	Very high	95.2	Very high	96 Å²	96	55.8 Å²	55.8	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-40.1	174.2	-75.4	172	0	0	0	111.6	C685 D686 L687 K693	C685-L689 WeakPolarHBondContact O-CG 3.43Å; C685-L689 PolarHBondContact O-N 2.73Å; D686-L689 PolarHBondContact O-N 3.3Å; L687-L689 VanDerWaalsContact C-N 3.31Å; L687-L689 PolarHBondContact O-N 3.06Å; L689-K693 WeakPolarHBondContact O-CG 3.15Å; L689-K693 PolarHBondContact O-N 3.1Å
690	L	96.9	Very high	95.1	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-49	173.9	179.1	62.7	0	0	0	111.5	F524 Q561 D686 L687 R688 K692 K693 L694 L699	F524-L690 HydrophobicContact CE2-CB 4.37Å; F524-L690 HydrophobicContact CE2-CD2 4.39Å; F524-L690 HydrophobicContact CZ-CB 4.16Å; F524-L690 HydrophobicContact CZ-CD2 3.73Å; F524-L690 HydrophobicContact CZ-CG 4.44Å; Q561-L690 HydrophobicContact CB-CD1 4.13Å; Q561-L690 HydrophobicContact CB-CD2 4.31Å; D686-L690 PolarHBondContact O-N 3.17Å; D686-L690 VanDerWaalsContact O-N 3.1Å; L687-L690 WeakPolarHBondContact O-CB 3.27Å; L687-L690 PolarHBondContact O-N 2.9Å; R688-L690 VanDerWaalsContact C-N 3.35Å; L690-K692 VanDerWaalsContact C-N 3.3Å; L690-K692 PolarHBondContact O-N 3.34Å; L690-K693 WeakPolarHBondContact O-CB 3.21Å; L690-K693 PolarHBondContact O-N 2.83Å; L690-K693 VanDerWaalsContact O-N 3.1Å; L690-L694 HydrophobicContact CD1-CD1 3.98Å; L690-L694 HydrophobicContact CD1-CG 4.29Å; L690-L694 HydrophobicContact CG-CD1 3.92Å; L690-L694 WeakPolarHBondContact O-CG 3.29Å; L690-L694 PolarHBondContact O-N 3.07Å; L690-L699 HydrophobicContact CD2-CD1 3.87Å
691	E	97.1	Very high	95	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-38.1	179.5	-71.3	178.1	136.9	0	0	112.6	L687 R688 L694 A695 C696 R697 Y698 L699 T700	L687-E691 WeakPolarHBondContact O-CG 3.37Å; L687-E691 PolarHBondContact O-N 3.18Å; R688-E691 WeakPolarHBondContact CD-OE2 3.48Å; R688-E691 IonicContact CZ-OE2 2.73Å; R688-E691 IonicContact NE-OE2 3.19Å; R688-E691 IonicContact NH1-OE2 3.61Å; R688-E691 PolarHBondContact NH1-OE2 3.12Å; R688-E691 PolarHBondContact O-N 3.07Å; E691-L694 CarbonylContact O-C 3.55Å; E691-L694 PolarHBondContact O-N 3.18Å; E691-A695 PolarHBondContact O-N 3.2Å; E691-C696 WeakPolarHBondContact CA-O 3Å; E691-C696 VanDerWaalsContact CB-O 3.31Å; E691-C696 WeakPolarHBondContact CB-O 3.42Å; E691-C696 PolarHBondContact O-N 2.79Å; E691-R697 WeakPolarHBondContact OE1-CA 3.28Å; E691-R697 WeakPolarHBondContact OE1-CG 3.29Å; E691-Y698 HydrophobicContact CG-CD1 4.42Å; E691-Y698 HydrophobicContact CG-CE1 4.43Å; E691-Y698 PolarHBondContact OE1-N 2.81Å; E691-L699 HydrophobicContact CG-CB 4.46Å; E691-L699 HydrophobicContact CG-CD1 4.48Å; E691-L699 WeakPolarHBondContact OE1-CA 3.43Å; E691-L699 PolarHBondContact OE1-N 3.29Å; E691-T700 PolarHBondContact OE1-N 3.19Å; E691-T700 PolarHBondContact OE2-OG1 3.28Å
692	K	95.1	Very high	94.8	Very high	148 Å²	148	61.8 Å²	61.8	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-62.6	-43	173.2	-77.5	176.2	-179.8	-178.9	0	112.1	R688 L690 L694 A695	R688-K692 WeakPolarHBondContact O-CB 3.4Å; R688-K692 VanDerWaalsContact O-CG 3.29Å; R688-K692 WeakPolarHBondContact O-CG 3.25Å; R688-K692 PolarHBondContact O-N 2.73Å; L690-K692 VanDerWaalsContact C-N 3.3Å; L690-K692 PolarHBondContact O-N 3.34Å; K692-L694 VanDerWaalsContact C-N 3.26Å; K692-L694 PolarHBondContact O-N 2.71Å; K692-A695 PolarHBondContact O-N 3Å
693	K	93.8	Very high	94.5	Very high	158 Å²	158	60.7 Å²	60.7	69%	0.687	31%	0.308	S	S	*	.	H	α-helix	trans	-63.5	-33.6	176.1	-72.4	173.5	-177.7	178.5	0	112.2	L689 L690	L689-K693 WeakPolarHBondContact O-CG 3.15Å; L689-K693 PolarHBondContact O-N 3.1Å; L690-K693 WeakPolarHBondContact O-CB 3.21Å; L690-K693 PolarHBondContact O-N 2.83Å; L690-K693 VanDerWaalsContact O-N 3.1Å
694	L	92.2	Very high	94.1	Very high	64 Å²	64	61.9 Å²	61.9	34%	0.335	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.5	179.5	-64.6	173.7	0	0	0	113.6	Q561 L690 E691 K692 C696 Y698	Q561-L694 HydrophobicContact CB-CD1 4.38Å; Q561-L694 HydrophobicContact CG-CD1 4.31Å; L690-L694 HydrophobicContact CD1-CD1 3.98Å; L690-L694 HydrophobicContact CD1-CG 4.29Å; L690-L694 HydrophobicContact CG-CD1 3.92Å; L690-L694 WeakPolarHBondContact O-CG 3.29Å; L690-L694 PolarHBondContact O-N 3.07Å; E691-L694 CarbonylContact O-C 3.55Å; E691-L694 PolarHBondContact O-N 3.18Å; K692-L694 VanDerWaalsContact C-N 3.26Å; K692-L694 PolarHBondContact O-N 2.71Å; L694-C696 PolarHBondContact O-N 2.84Å; L694-C696 VanDerWaalsContact O-N 3.1Å; L694-Y698 HydrophobicContact CD1-CE1 3.75Å
695	A	92.8	Very high	93.9	Very high	99 Å²	99	62.6 Å²	62.6	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	28.1	-173.1	0	0	0	0	0	114.1	E691 K692	E691-A695 PolarHBondContact O-N 3.2Å; K692-A695 PolarHBondContact O-N 3Å
696	C	91.7	Very high	93.5	Very high	71 Å²	71	69.2 Å²	69.2	48%	0.48	35%	0.347	S	S	.	.			trans	-146.9	130.5	-177.5	-176.8	0	0	0	0	110.2	E691 L694	E691-C696 WeakPolarHBondContact CA-O 3Å; E691-C696 VanDerWaalsContact CB-O 3.31Å; E691-C696 WeakPolarHBondContact CB-O 3.42Å; E691-C696 PolarHBondContact O-N 2.79Å; L694-C696 PolarHBondContact O-N 2.84Å; L694-C696 VanDerWaalsContact O-N 3.1Å
697	R	93.3	Very high	93	Very high	72 Å²	72	74.4 Å²	74.4	27%	0.272	37%	0.366	S	S	.	.			trans	-96.5	118.7	175.3	-172.3	179.8	-166.8	149.7	15.5	109.3	E691 T700 H701 D705	E691-R697 WeakPolarHBondContact OE1-CA 3.28Å; E691-R697 WeakPolarHBondContact OE1-CG 3.29Å; R697-T700 WeakPolarHBondContact CG-O 3.14Å; R697-T700 PolarHBondContact NE-O 3.44Å; R697-T700 PolarHBondContact NE-OG1 2.8Å; R697-T700 VanDerWaalsContact NE-OG1 3.1Å; R697-T700 PolarHBondContact NH2-OG1 3.47Å; R697-H701 VanDerWaalsContact CZ-C 3.46Å; R697-H701 PolarHBondContact NH2-O 2.72Å; R697-D705 IonicContact CZ-OD1 3.55Å; R697-D705 IonicContact CZ-OD2 2.79Å; R697-D705 IonicContact NH1-OD1 3.44Å; R697-D705 IonicContact NH1-OD2 3.59Å; R697-D705 PolarHBondContact NH1-OD2 3.45Å; R697-D705 IonicContact NH2-OD1 2.72Å; R697-D705 PolarHBondContact NH2-OD1 2.97Å; R697-D705 IonicContact NH2-OD2 3.99Å; R697-D705 PolarHBondContact NH2-OD2 3.45Å
698	Y	93.3	Very high	92.7	Very high	87 Å²	87	75.4 Å²	75.4	34%	0.341	37%	0.37	S	S	.	.			trans	-150.6	-13.2	-175.7	72.1	-81.3	0	0	0	114.3	Q561 E691 L694	Q561-Y698 PolarHBondContact NE2-OH 2.89Å; Q561-Y698 VanDerWaalsContact NE2-OH 3.13Å; E691-Y698 HydrophobicContact CG-CD1 4.42Å; E691-Y698 HydrophobicContact CG-CE1 4.43Å; E691-Y698 PolarHBondContact OE1-N 2.81Å; L694-Y698 HydrophobicContact CD1-CE1 3.75Å
699	L	95.4	Very high	92	Very high	11 Å²	11	75.2 Å²	75.2	6%	0.058	38%	0.379	C	S	.	.	S	Bend	trans	-97.6	-40.5	177.4	-63.8	169.8	0	0	0	110.9	Y527 Q528 V531 L687 L690 E691	Y527-L699 HydrophobicContact CE1-CB 4.38Å; Y527-L699 WeakPolarHBondContact CE1-O 3.14Å; Y527-L699 PolarHBondContact OH-O 3.13Å; Q528-L699 HydrophobicContact CB-CD2 4.43Å; Q528-L699 HydrophobicContact CG-CD1 3.96Å; Q528-L699 HydrophobicContact CG-CD2 3.91Å; V531-L699 HydrophobicContact CB-CD2 4.08Å; V531-L699 HydrophobicContact CG1-CD2 4.09Å; V531-L699 HydrophobicContact CG2-CD2 4.09Å; L687-L699 HydrophobicContact CD2-CB 4.38Å; L687-L699 HydrophobicContact CD2-CD1 3.81Å; L690-L699 HydrophobicContact CD2-CD1 3.87Å; E691-L699 HydrophobicContact CG-CB 4.46Å; E691-L699 HydrophobicContact CG-CD1 4.48Å; E691-L699 WeakPolarHBondContact OE1-CA 3.43Å; E691-L699 PolarHBondContact OE1-N 3.29Å
700	T	94	Very high	91.1	Very high	12 Å²	12	78 Å²	78	7%	0.074	39%	0.39	C	S	.	.	S	Bend	trans	-110.3	159.7	-177.3	71.2	0	0	0	0	112	L687 R688 E691 R697	L687-T700 HydrophobicContact CB-CG2 3.75Å; L687-T700 HydrophobicContact CD1-CG2 4.13Å; R688-T700 WeakPolarHBondContact CD-OG1 3.36Å; R688-T700 HydrophobicContact CG-CG2 4.48Å; E691-T700 PolarHBondContact OE1-N 3.19Å; E691-T700 PolarHBondContact OE2-OG1 3.28Å; R697-T700 WeakPolarHBondContact CG-O 3.14Å; R697-T700 PolarHBondContact NE-O 3.44Å; R697-T700 PolarHBondContact NE-OG1 2.8Å; R697-T700 VanDerWaalsContact NE-OG1 3.1Å; R697-T700 PolarHBondContact NH2-OG1 3.47Å
701	H	91.9	Very high	90.1	Very high	119 Å²	119	80.2 Å²	80.2	55%	0.551	40%	0.403	S	S	*	.			trans	-116.3	152.3	178.2	-173.1	-99.9	0	0	0	111.7	R697 S703 D704	R697-H701 VanDerWaalsContact CZ-C 3.46Å; R697-H701 PolarHBondContact NH2-O 2.72Å; H701-S703 WeakPolarHBondContact ND1-CB 3.31Å; H701-S703 PolarHBondContact ND1-N 3.31Å; H701-S703 PolarHBondContact ND1-OG 2.99Å; H701-S703 PolarHBondContact O-N 3.43Å; H701-S703 VanDerWaalsContact O-N 3.07Å; H701-D704 PolarHBondContact N-OD2 3.23Å; H701-D704 WeakPolarHBondContact O-CB 3.5Å; H701-D704 PolarHBondContact O-N 3.37Å
702	E	90.2	Very high	88.5	Confident	135 Å²	135	83.8 Å²	83.8	63%	0.631	42%	0.422	S	S	*	.	H	α-helix	trans	-57.7	-25.7	-178.2	-65.9	-178.4	169	0	0	113.7	D704 D705	E702-D704 PolarHBondContact O-N 3.4Å; E702-D705 WeakPolarHBondContact O-CB 3.31Å; E702-D705 PolarHBondContact O-N 3.02Å
703	S	89.7	Confident	86.7	Confident	63 Å²	63	83.1 Å²	83.1	44%	0.441	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-30.1	171.7	57	0	0	0	0	113.1	H701 D705 K706 R707	H701-S703 WeakPolarHBondContact ND1-CB 3.31Å; H701-S703 PolarHBondContact ND1-N 3.31Å; H701-S703 PolarHBondContact ND1-OG 2.99Å; H701-S703 PolarHBondContact O-N 3.43Å; H701-S703 VanDerWaalsContact O-N 3.07Å; S703-D705 VanDerWaalsContact C-N 3.29Å; S703-K706 PolarHBondContact O-N 2.87Å; S703-R707 PolarHBondContact O-N 3.22Å; S703-R707 VanDerWaalsContact O-N 3.17Å
704	D	90.4	Very high	84.8	Confident	29 Å²	29	78.1 Å²	78.1	16%	0.155	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-33.5	177.1	-58.3	-40.6	0	0	0	110.9	H701 E702 K706 R707 W708	H701-D704 PolarHBondContact N-OD2 3.23Å; H701-D704 WeakPolarHBondContact O-CB 3.5Å; H701-D704 PolarHBondContact O-N 3.37Å; E702-D704 PolarHBondContact O-N 3.4Å; D704-K706 VanDerWaalsContact C-N 3.34Å; D704-K706 PolarHBondContact O-N 3.47Å; D704-R707 PolarHBondContact O-N 3.17Å; D704-W708 WeakPolarHBondContact O-CB 3.25Å; D704-W708 PolarHBondContact O-N 3.43Å
705	D	90.8	Very high	82.8	Confident	53 Å²	53	80.9 Å²	80.9	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-63.4	-43.9	178.4	-56.6	-14.2	0	0	0	110.2	W684 R697 E702 S703 R707 W708 A709	W684-D705 HydrophobicContact CZ2-CB 4.44Å; W684-D705 VanDerWaalsContact CZ2-OD1 3.29Å; W684-D705 WeakPolarHBondContact CZ2-OD1 3.48Å; R697-D705 IonicContact CZ-OD1 3.55Å; R697-D705 IonicContact CZ-OD2 2.79Å; R697-D705 IonicContact NH1-OD1 3.44Å; R697-D705 IonicContact NH1-OD2 3.59Å; R697-D705 PolarHBondContact NH1-OD2 3.45Å; R697-D705 IonicContact NH2-OD1 2.72Å; R697-D705 PolarHBondContact NH2-OD1 2.97Å; R697-D705 IonicContact NH2-OD2 3.99Å; R697-D705 PolarHBondContact NH2-OD2 3.45Å; E702-D705 WeakPolarHBondContact O-CB 3.31Å; E702-D705 PolarHBondContact O-N 3.02Å; S703-D705 VanDerWaalsContact C-N 3.29Å; D705-R707 VanDerWaalsContact C-N 3.33Å; D705-R707 PolarHBondContact O-N 3.47Å; D705-W708 PolarHBondContact O-N 2.88Å; D705-A709 VanDerWaalsContact O-CB 3.25Å; D705-A709 WeakPolarHBondContact O-CB 3.33Å; D705-A709 PolarHBondContact O-N 3.37Å
706	K	87.5	Confident	80.2	Confident	167 Å²	167	79.2 Å²	79.2	73%	0.726	43%	0.432	S	S	*	.	H	α-helix	trans	-62.4	-40.9	175.3	-65	-175.9	-179	179.8	0	111.9	S703 D704	S703-K706 PolarHBondContact O-N 2.87Å; D704-K706 VanDerWaalsContact C-N 3.34Å; D704-K706 PolarHBondContact O-N 3.47Å
707	R	87.9	Confident	77.5	Confident	112 Å²	112	85 Å²	85	42%	0.423	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-45	179.3	179.4	179.9	173.3	-169	-4.4	111.9	S703 D704 D705	S703-R707 PolarHBondContact O-N 3.22Å; S703-R707 VanDerWaalsContact O-N 3.17Å; D704-R707 PolarHBondContact O-N 3.17Å; D705-R707 VanDerWaalsContact C-N 3.33Å; D705-R707 PolarHBondContact O-N 3.47Å
708	W	90	Very high	76.7	Confident	25 Å²	25	85.7 Å²	85.7	10%	0.095	48%	0.475	C	S	.	.	H	α-helix	trans	-87.2	-15.9	-175.2	-65.2	118.8	0	0	0	113.9	Y681 W684 D704 D705 Q710 V711 N712	Y681-W708 HydrophobicContact CD2-CB 3.84Å; Y681-W708 AromaticContact CD2-CD2 3.88Å; Y681-W708 HydrophobicContact CD2-CD2 3.88Å; Y681-W708 AromaticContact CD2-CE3 3.65Å; Y681-W708 HydrophobicContact CD2-CE3 3.65Å; Y681-W708 AromaticContact CD2-CG 3.98Å; Y681-W708 HydrophobicContact CD2-CG 3.98Å; Y681-W708 HydrophobicContact CD2-CZ3 4.49Å; Y681-W708 HydrophobicContact CE2-CB 3.96Å; Y681-W708 HydrophobicContact CG-CE3 4.12Å; W684-W708 HydrophobicContact CB-CG 4.39Å; W684-W708 AromaticContact CD1-CD1 3.41Å; W684-W708 VanDerWaalsContact CD1-CD1 3.41Å; W684-W708 AromaticContact CD1-NE1 3.74Å; W684-W708 HydrophobicContact CD2-CB 4.08Å; W684-W708 AromaticContact CD2-CD1 3.48Å; W684-W708 VanDerWaalsContact CD2-CD1 3.48Å; W684-W708 AromaticContact CD2-CG 3.92Å; W684-W708 HydrophobicContact CD2-CG 3.92Å; W684-W708 AromaticContact CE2-CD1 3.78Å; W684-W708 HydrophobicContact CE3-CB 4.01Å; W684-W708 HydrophobicContact CE3-CG 4.17Å; W684-W708 AromaticContact CG-CD1 3.25Å; W684-W708 HydrophobicContact CG-CG 4.04Å; W684-W708 AromaticContact CG-NE1 3.57Å; W684-W708 HydrophobicContact CH2-CB 4.37Å; W684-W708 HydrophobicContact CZ2-CB 4.43Å; W684-W708 HydrophobicContact CZ3-CB 4.17Å; W684-W708 AromaticContact NE1-CD1 3.7Å; D704-W708 WeakPolarHBondContact O-CB 3.25Å; D704-W708 PolarHBondContact O-N 3.43Å; D705-W708 PolarHBondContact O-N 2.88Å; W708-Q710 PolarHBondContact O-N 2.6Å; W708-V711 HydrophobicContact CE3-CB 4.23Å; W708-V711 HydrophobicContact CE3-CG2 3.69Å; W708-V711 HydrophobicContact CZ3-CG2 4.01Å; W708-V711 PolarHBondContact O-N 3.22Å; W708-V711 VanDerWaalsContact O-N 3.07Å; W708-N712 PolarHBondContact O-N 2.92Å
709	A	82.8	Confident	75.9	Confident	47 Å²	47	85.6 Å²	85.6	39%	0.388	48%	0.482	S	S	.	.	H	α-helix	trans	-53.9	-41.6	169.3	0	0	0	0	0	111.7	D705 V711 N712 D713	D705-A709 VanDerWaalsContact O-CB 3.25Å; D705-A709 WeakPolarHBondContact O-CB 3.33Å; D705-A709 PolarHBondContact O-N 3.37Å; A709-V711 PolarHBondContact O-N 3.32Å; A709-N712 PolarHBondContact O-N 3.33Å; A709-D713 PolarHBondContact O-N 3.07Å
710	Q	76.4	Confident	74.8	Confident	155 Å²	155	89.8 Å²	89.8	72%	0.724	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-25.2	178.6	-62.3	179.7	-5	0	0	113.7	W708	W708-Q710 PolarHBondContact O-N 2.6Å
711	V	76.5	Confident	73.6	Confident	55 Å²	55	94.4 Å²	94.4	33%	0.333	53%	0.531	S	S	.	.	H	α-helix	trans	-82.7	-33.2	178.6	178.8	0	0	0	0	111	Y681 W708 A709 G714	Y681-V711 HydrophobicContact CD1-CG1 4.38Å; Y681-V711 HydrophobicContact CD2-CB 4.49Å; Y681-V711 HydrophobicContact CD2-CG1 4.4Å; Y681-V711 HydrophobicContact CG-CG1 4.11Å; W708-V711 HydrophobicContact CE3-CB 4.23Å; W708-V711 HydrophobicContact CE3-CG2 3.69Å; W708-V711 HydrophobicContact CZ3-CG2 4.01Å; W708-V711 PolarHBondContact O-N 3.22Å; W708-V711 VanDerWaalsContact O-N 3.07Å; A709-V711 PolarHBondContact O-N 3.32Å; V711-G714 PolarHBondContact O-N 3.31Å
712	N	62.5	Low	72.5	Confident	77 Å²	77	92.8 Å²	92.8	41%	0.412	53%	0.529	S	S	.	.	H	α-helix	trans	-66.8	-36.3	175.9	-91.8	-26.2	0	0	0	113	Y681 W708 A709 G714 V715	Y681-N712 VanDerWaalsContact CZ-OD1 3.23Å; Y681-N712 PolarHBondContact OH-ND2 3.26Å; Y681-N712 PolarHBondContact OH-OD1 3.18Å; W708-N712 PolarHBondContact O-N 2.92Å; A709-N712 PolarHBondContact O-N 3.33Å; N712-G714 PolarHBondContact O-N 3.37Å; N712-V715 PolarHBondContact O-N 3.31Å
713	D	58	Low	71.3	Confident	134 Å²	134	90 Å²	90	72%	0.717	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.4	177.8	-67.9	-22.4	0	0	0	112.5	A709	A709-D713 PolarHBondContact O-N 3.07Å
714	G	53.2	Low	70	Confident	54 Å²	54	91.9 Å²	91.9	56%	0.557	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.3	179.6	0	0	0	0	0	116	V711 N712	V711-G714 PolarHBondContact O-N 3.31Å; N712-G714 PolarHBondContact O-N 3.37Å
715	V	50	Low	68.4	Low	121 Å²	121	96.8 Å²	96.8	73%	0.733	56%	0.557	S	S	*	*	S	Bend	trans	-99	2.2	177.5	-175.4	0	0	0	0	111.4	N712	N712-V715 PolarHBondContact O-N 3.31Å
716	G	39.8	Very low	66.6	Low	65 Å²	65	100.4 Å²	100.4	67%	0.67	58%	0.58	S	S	*	*			trans	-99.9	10.8	179.8	0	0	0	0	0	116.5
717	T	34.2	Very low	64.7	Low	193 Å²	193	94.4 Å²	94.4	100%	1.184	57%	0.567	S	S	*	*			trans	-117.4	0	172.9	58.5	0	0	0	0	111.7

Retrieved 717 of 717 residues in 117.6 ms (Link to these results)

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