A0A061I7Y2_CRIGR Loading...

Endonuclease domain containing 1

AlphaFold DB , UniProt , Accession A0A061I7Y2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Endod1, Length 500 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	35.8	Very low	38.3	Very low	252 Å²	252	139.5 Å²	139.5	100%	1.241	81%	0.814	S	S	*	*				0	137	0	-61.5	146.6	73.5	0	0	107
2	G	40.1	Very low	38.1	Very low	69 Å²	69	138 Å²	138	71%	0.711	80%	0.799	S	S	*	*			cis	175.9	160.6	-4.5	0	0	0	0	0	109.7
3	C	39.9	Very low	38.1	Very low	143 Å²	143	138.4 Å²	138.4	97%	0.966	80%	0.795	S	S	*	*			trans	58.2	65.2	169	-60	0	0	0	0	118.8
4	A	39.1	Very low	38.1	Very low	98 Å²	98	133.9 Å²	133.9	81%	0.81	78%	0.783	S	S	*	*	S	Bend	trans	-153.7	41.7	165	0	0	0	0	0	114.7
5	R	39	Very low	38.1	Very low	230 Å²	230	133.1 Å²	133.1	87%	0.868	77%	0.773	S	S	*	*	S	Bend	trans	-155	17.3	-177.6	-128.8	173.7	-174.4	-169.4	-0.7	119.2
6	W	34.9	Very low	37.8	Very low	242 Å²	242	131.6 Å²	131.6	92%	0.917	77%	0.766	S	S	*	*	S	Bend	trans	-123.6	28.4	-171.1	-82.3	92.9	0	0	0	115.5
7	L	41.8	Very low	37.7	Very low	174 Å²	174	127.4 Å²	127.4	91%	0.911	76%	0.758	S	S	*	*	S	Bend	trans	-122.2	0.9	176.8	-74.2	172.4	0	0	0	114.9
8	A	41.9	Very low	37.7	Very low	84 Å²	84	127.4 Å²	127.4	69%	0.694	75%	0.753	S	S	*	*	S	Bend	trans	-99	2.2	-174.9	0	0	0	0	0	115.2
9	L	38.8	Very low	37.6	Very low	133 Å²	133	128.8 Å²	128.8	70%	0.696	76%	0.755	S	S	*	*	S	Bend	trans	-108.7	-15.2	-178	-88.3	140.5	0	0	0	114.3
10	G	33.9	Very low	37.8	Very low	63 Å²	63	130.9 Å²	130.9	65%	0.649	76%	0.757	S	S	*	*	H	α-helix	trans	-73.8	-34.9	175.8	0	0	0	0	0	113.8
11	G	35.9	Very low	38	Very low	47 Å²	47	126.2 Å²	126.2	49%	0.485	73%	0.734	S	S	.	*	H	α-helix	trans	-74.4	-24.2	-176.2	0	0	0	0	0	115
12	L	35.7	Very low	39.2	Very low	121 Å²	121	117.7 Å²	117.7	63%	0.634	69%	0.688	S	S	*	*	H	α-helix	trans	-81	-22.9	-176.5	-91.4	159.4	0	0	0	113.7
13	L	37.9	Very low	40.2	Very low	143 Å²	143	116.5 Å²	116.5	75%	0.749	67%	0.665	S	S	*	*	H	α-helix	trans	-80.1	-24.7	173.2	-76.1	165.6	0	0	0	112.6	L15	L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 2.75Å
14	A	38.4	Very low	41.3	Very low	76 Å²	76	110.5 Å²	110.5	63%	0.628	62%	0.624	S	S	*	*	H	α-helix	trans	-72.6	-20.4	174.7	0	0	0	0	0	113.5
15	L	37.7	Very low	42.3	Very low	122 Å²	122	111.7 Å²	111.7	64%	0.639	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-3.9	-178.5	-91.4	157.2	0	0	0	114.5	L13 L18	L13-L15 VanDerWaalsContact C-N 3.29Å; L13-L15 PolarHBondContact O-N 2.75Å; L15-L18 HydrophobicContact CD2-CD1 4.03Å
16	V	34	Very low	43.1	Very low	108 Å²	108	106 Å²	106	66%	0.655	61%	0.608	S	S	*	*	S	Bend	trans	-89.2	-17.1	176.4	175.7	0	0	0	0	112.3	L18	V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.98Å
17	G	35.3	Very low	44	Very low	61 Å²	61	103.7 Å²	103.7	63%	0.629	61%	0.608	S	S	*	*	S	Bend	trans	-76.8	-9.3	178.7	0	0	0	0	0	115.8	L19	G17-L19 VanDerWaalsContact C-N 3.28Å; G17-L19 PolarHBondContact O-N 3.04Å
18	L	37.9	Very low	45.1	Very low	127 Å²	127	99.2 Å²	99.2	67%	0.665	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	16.7	-169.5	-86.4	158.6	0	0	0	115.2	L15 V16	L15-L18 HydrophobicContact CD2-CD1 4.03Å; V16-L18 VanDerWaalsContact C-N 3.32Å; V16-L18 PolarHBondContact O-N 2.98Å
19	L	36.4	Very low	46.7	Very low	154 Å²	154	99.6 Å²	99.6	81%	0.806	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	13.5	-174.8	-99.8	162	0	0	0	114.3	G17	G17-L19 VanDerWaalsContact C-N 3.28Å; G17-L19 PolarHBondContact O-N 3.04Å
20	Q	41.4	Very low	49	Very low	170 Å²	170	93.9 Å²	93.9	79%	0.794	56%	0.559	S	S	*	*			trans	-133.7	79.9	179.3	-71.2	-167	-42.4	0	0	112.8
21	A	42.8	Very low	51.8	Low	33 Å²	33	91.1 Å²	91.1	27%	0.273	53%	0.529	S	S	.	.			trans	-122.7	14.7	163.3	0	0	0	0	0	112.9	L23	A21-L23 PolarHBondContact O-N 3.33Å
22	R	61.2	Low	54.4	Low	73 Å²	73	90.2 Å²	90.2	28%	0.275	52%	0.52	S	S	.	.	S	Bend	trans	-43.9	-58.6	-175.1	-73.7	-176.8	175.9	153.7	4.2	111.8	Q100 S106 N107	R22-Q100 HydrophobicContact CB-CB 3.99Å; R22-Q100 HydrophobicContact CB-CG 4.1Å; R22-Q100 WeakPolarHBondContact O-CG 3.28Å; R22-Q100 PolarHBondContact O-NE2 2.93Å; R22-S106 PolarHBondContact NE-O 3.44Å; R22-S106 PolarHBondContact NH1-O 2.86Å; R22-N107 PolarHBondContact NH1-OD1 2.76Å
23	L	60.8	Low	57	Low	44 Å²	44	89 Å²	89	23%	0.23	51%	0.51	C	S	.	.	S	Bend	trans	-128.8	141.8	164.1	-66.8	-175.4	0	0	0	108.5	A21 V53 I55 Q100 I101	A21-L23 PolarHBondContact O-N 3.33Å; L23-V53 HydrophobicContact CD1-CG1 3.88Å; L23-V53 HydrophobicContact CD2-CG1 3.37Å; L23-V53 HydrophobicContact CG-CG1 4.16Å; L23-I55 HydrophobicContact CD2-CG1 4.27Å; L23-Q100 WeakPolarHBondContact CD1-O 3.39Å; L23-Q100 HydrophobicContact CD2-CG 3.67Å; L23-Q100 HydrophobicContact CG-CB 4.22Å; L23-Q100 HydrophobicContact CG-CG 3.7Å; L23-I101 HydrophobicContact CD2-CG1 4.38Å
24	L	63.6	Low	59.7	Low	18 Å²	18	82.1 Å²	82.1	9%	0.094	48%	0.475	C	S	.	.			trans	-76.4	136.9	175.4	-60.2	167.6	0	0	0	109.7	F31 R54	L24-F31 VanDerWaalsContact CD1-C 3.49Å; L24-F31 VanDerWaalsContact CD1-CA 3.42Å; L24-F31 HydrophobicContact CD1-CB 4.33Å; L24-F31 HydrophobicContact CD1-CD1 4.47Å; L24-R54 HydrophobicContact CB-CB 4.22Å; L24-R54 HydrophobicContact CD1-CB 4Å; L24-R54 PolarHBondContact N-O 3.26Å
25	L	59.8	Low	62.4	Low	122 Å²	122	80 Å²	80	64%	0.639	45%	0.453	S	S	*	.			trans	-62.4	146	-178.6	-80.5	71.4	0	0	0	110	H27 Q28	L25-H27 PolarHBondContact O-N 3Å; L25-Q28 WeakPolarHBondContact O-CB 3.38Å; L25-Q28 PolarHBondContact O-N 3.36Å
26	P	55.7	Low	65.1	Low	110 Å²	110	79.8 Å²	79.8	71%	0.714	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.4	-178.2	-29	35.4	0	0	0	114.2	R54	P26-R54 PolarHBondContact O-NH1 2.72Å
27	H	53.8	Low	68.1	Low	194 Å²	194	75.6 Å²	75.6	90%	0.898	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.8	-179.9	-128.4	71.4	0	0	0	114.9	L25	L25-H27 PolarHBondContact O-N 3Å
28	Q	64.8	Low	71	Confident	81 Å²	81	72.8 Å²	72.8	38%	0.379	39%	0.387	S	S	.	.			trans	-82.7	124.7	175.8	-173.6	167.5	-7.5	0	0	109.7	L25 R54	L25-Q28 WeakPolarHBondContact O-CB 3.38Å; L25-Q28 PolarHBondContact O-N 3.36Å; Q28-R54 PolarHBondContact O-NH1 3.36Å
29	A	74.9	Confident	73.7	Confident	91 Å²	91	68.5 Å²	68.5	75%	0.752	36%	0.362	S	S	*	.			trans	-74.6	147.7	170.4	0	0	0	0	0	110.4
30	G	87.2	Confident	76.4	Confident	14 Å²	14	64 Å²	64	14%	0.144	35%	0.347	C	S	.	.	S	Bend	trans	78.3	-167.9	-179.6	0	0	0	0	0	114.6	D35 R54	G30-D35 WeakPolarHBondContact CA-OD1 3.36Å; G30-D35 WeakPolarHBondContact CA-OD2 3.5Å; G30-R54 WeakPolarHBondContact O-CD 3.25Å
31	F	93.1	Very high	78.8	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.018	33%	0.326	C	S	.	.			trans	-113.4	11.3	173.2	-73.5	-96.7	0	0	0	112.3	L24 E33 C34 D35 F38 P43 R54 A66 T67 L68 F78	L24-F31 VanDerWaalsContact CD1-C 3.49Å; L24-F31 VanDerWaalsContact CD1-CA 3.42Å; L24-F31 HydrophobicContact CD1-CB 4.33Å; L24-F31 HydrophobicContact CD1-CD1 4.47Å; F31-E33 PolarHBondContact O-N 2.89Å; F31-C34 HydrophobicContact CB-CB 4.04Å; F31-C34 PolarHBondContact O-N 3.19Å; F31-D35 PolarHBondContact N-OD1 3.19Å; F31-D35 PolarHBondContact N-OD2 3.48Å; F31-F38 HydrophobicContact CB-CE2 3.92Å; F31-F38 HydrophobicContact CD2-CD2 4.44Å; F31-F38 AromaticContact CD2-CE2 3.38Å; F31-F38 HydrophobicContact CD2-CE2 3.38Å; F31-F38 AromaticContact CD2-CZ 3.48Å; F31-F38 HydrophobicContact CD2-CZ 3.48Å; F31-F38 VanDerWaalsContact CD2-CZ 3.48Å; F31-F38 HydrophobicContact CE2-CE2 4.06Å; F31-F38 AromaticContact CE2-CZ 3.65Å; F31-F38 HydrophobicContact CE2-CZ 3.65Å; F31-F38 AromaticContact CG-CE2 3.72Å; F31-F38 HydrophobicContact CG-CE2 3.72Å; F31-F38 AromaticContact CG-CZ 3.99Å; F31-F38 HydrophobicContact CG-CZ 3.99Å; F31-F38 HydrophobicContact CZ-CZ 4.28Å; F31-P43 HydrophobicContact CD2-CB 3.74Å; F31-P43 HydrophobicContact CD2-CG 4.03Å; F31-P43 HydrophobicContact CE2-CB 3.6Å; F31-P43 HydrophobicContact CE2-CG 4.12Å; F31-R54 HydrophobicContact CD1-CB 4.02Å; F31-R54 HydrophobicContact CE1-CB 3.64Å; F31-R54 HydrophobicContact CE1-CG 3.94Å; F31-R54 HydrophobicContact CZ-CB 4.16Å; F31-R54 HydrophobicContact CZ-CG 3.93Å; F31-A66 HydrophobicContact CB-CB 4.22Å; F31-A66 HydrophobicContact CD1-CB 3.89Å; F31-A66 HydrophobicContact CE1-CB 4.46Å; F31-A66 HydrophobicContact CG-CB 4.01Å; F31-T67 WeakPolarHBondContact CE1-O 3.36Å; F31-L68 HydrophobicContact CZ-CB 4.17Å; F31-L68 HydrophobicContact CZ-CD1 4.4Å; F31-F78 HydrophobicContact CE2-CE2 4.47Å; F31-F78 HydrophobicContact CE2-CZ 4.08Å; F31-F78 HydrophobicContact CZ-CE2 4.18Å; F31-F78 AromaticContact CZ-CZ 3.88Å; F31-F78 HydrophobicContact CZ-CZ 3.88Å
32	G	90.7	Very high	81.3	Confident	29 Å²	29	58.8 Å²	58.8	30%	0.299	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	68.9	-125.3	175.3	0	0	0	0	0	111.3	C34 D35	G32-C34 PolarHBondContact O-N 2.95Å; G32-C34 VanDerWaalsContact O-N 3.1Å; G32-D35 PolarHBondContact N-OD2 2.83Å; G32-D35 WeakPolarHBondContact O-CB 3.49Å; G32-D35 PolarHBondContact O-N 3.46Å
33	E	90.4	Very high	82.9	Confident	94 Å²	94	56.9 Å²	56.9	44%	0.439	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-60.9	-23	178.9	-65.5	-175.8	151.4	0	0	112.7	F31 R36 R58 E63	F31-E33 PolarHBondContact O-N 2.89Å; E33-R36 VanDerWaalsContact O-CZ 3.24Å; E33-R36 PolarHBondContact O-NE 2.99Å; E33-R36 PolarHBondContact O-NH2 3.18Å; E33-R58 IonicContact OE2-CZ 3.38Å; E33-R58 VanDerWaalsContact OE2-CZ 3.23Å; E33-R58 IonicContact OE2-NH1 2.7Å; E33-R58 PolarHBondContact OE2-NH1 2.97Å; E33-R58 IonicContact OE2-NH2 3.38Å; E33-R58 PolarHBondContact OE2-NH2 2.81Å; E33-E63 HydrophobicContact CB-CG 4.08Å
34	C	94.9	Very high	84.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-83.5	-1.4	174.6	-73.9	0	0	0	0	115.1	F31 G32 R36 F37 C56 F65 A66	F31-C34 HydrophobicContact CB-CB 4.04Å; F31-C34 PolarHBondContact O-N 3.19Å; G32-C34 PolarHBondContact O-N 2.95Å; G32-C34 VanDerWaalsContact O-N 3.1Å; C34-R36 PolarHBondContact O-N 3.26Å; C34-F37 HydrophobicContact CB-CD2 3.83Å; C34-F37 HydrophobicContact CB-CE2 4.14Å; C34-F37 VanDerWaalsContact O-CD2 3.28Å; C34-F37 WeakPolarHBondContact O-CD2 3.08Å; C34-F37 PolarHBondContact O-N 3.19Å; C34-C56 HydrophobicContact CB-CB 3.61Å; C34-C56 WeakPolarHBondContact CB-SG 3.34Å; C34-C56 PolarHBondContact N-SG 2.89Å; C34-C56 VanDerWaalsContact N-SG 3.41Å; C34-C56 VanDerWaalsContact SG-C 3.57Å; C34-C56 WeakPolarHBondContact SG-CA 3.36Å; C34-C56 WeakPolarHBondContact SG-CB 3.39Å; C34-C56 CovalentContact SG-SG 2.03Å; C34-C56 PolarHBondContact SG-SG 2.81Å; C34-F65 PolarHBondContact SG-O 3.38Å; C34-F65 VanDerWaalsContact SG-O 3.37Å; C34-A66 HydrophobicContact CB-CB 4.07Å
35	D	95.1	Very high	85.8	Confident	32 Å²	32	57.1 Å²	57.1	17%	0.171	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.7	175.3	-78.3	-48	0	0	0	112.3	G30 F31 G32 F37 F38 G41	G30-D35 WeakPolarHBondContact CA-OD1 3.36Å; G30-D35 WeakPolarHBondContact CA-OD2 3.5Å; F31-D35 PolarHBondContact N-OD1 3.19Å; F31-D35 PolarHBondContact N-OD2 3.48Å; G32-D35 PolarHBondContact N-OD2 2.83Å; G32-D35 WeakPolarHBondContact O-CB 3.49Å; G32-D35 PolarHBondContact O-N 3.46Å; D35-F37 PolarHBondContact O-N 2.99Å; D35-F38 PolarHBondContact O-N 3.02Å; D35-F38 VanDerWaalsContact O-N 3.07Å; D35-G41 WeakPolarHBondContact O-CA 3.19Å
36	R	94.3	Very high	87.2	Confident	116 Å²	116	53.5 Å²	53.5	44%	0.438	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-55.3	-18.7	172.4	78.9	-177.1	73.1	159.6	5.2	115.5	E33 C34 E63	E33-R36 VanDerWaalsContact O-CZ 3.24Å; E33-R36 PolarHBondContact O-NE 2.99Å; E33-R36 PolarHBondContact O-NH2 3.18Å; C34-R36 PolarHBondContact O-N 3.26Å; R36-E63 VanDerWaalsContact CZ-CD 3.44Å; R36-E63 IonicContact CZ-OE1 2.7Å; R36-E63 IonicContact CZ-OE2 3.97Å; R36-E63 IonicContact NH1-OE1 3.14Å; R36-E63 IonicContact NH1-OE2 3.32Å; R36-E63 PolarHBondContact NH1-OE2 3.3Å; R36-E63 IonicContact NH2-OE1 2.69Å; R36-E63 PolarHBondContact NH2-OE1 2.86Å; R36-E63 IonicContact NH2-OE2 3.27Å; R36-E63 PolarHBondContact NH2-OE2 3.1Å
37	F	95.9	Very high	88.8	Confident	21 Å²	21	48.9 Å²	48.9	9%	0.092	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-89.8	-3.6	-179	-60.6	-64.7	0	0	0	113.4	C34 D35 E63 R64 A80 R82	C34-F37 HydrophobicContact CB-CD2 3.83Å; C34-F37 HydrophobicContact CB-CE2 4.14Å; C34-F37 VanDerWaalsContact O-CD2 3.28Å; C34-F37 WeakPolarHBondContact O-CD2 3.08Å; C34-F37 PolarHBondContact O-N 3.19Å; D35-F37 PolarHBondContact O-N 2.99Å; F37-E63 HydrophobicContact CE2-CB 3.99Å; F37-E63 HydrophobicContact CZ-CB 4.3Å; F37-R64 WeakPolarHBondContact CE1-O 3.45Å; F37-R64 WeakPolarHBondContact CZ-O 3.49Å; F37-A80 WeakPolarHBondContact CB-O 3.43Å; F37-R82 HydrophobicContact CD1-CB 4.14Å
38	F	96.1	Very high	90.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	27%	0.273	C	S	.	.	S	Bend	trans	-105.2	150	175	-58.5	-84.9	0	0	0	111.9	F31 D35 A40 G41 T42 P43 A66 F78 A80 Y197 I199	F31-F38 HydrophobicContact CB-CE2 3.92Å; F31-F38 HydrophobicContact CD2-CD2 4.44Å; F31-F38 AromaticContact CD2-CE2 3.38Å; F31-F38 HydrophobicContact CD2-CE2 3.38Å; F31-F38 AromaticContact CD2-CZ 3.48Å; F31-F38 HydrophobicContact CD2-CZ 3.48Å; F31-F38 VanDerWaalsContact CD2-CZ 3.48Å; F31-F38 HydrophobicContact CE2-CE2 4.06Å; F31-F38 AromaticContact CE2-CZ 3.65Å; F31-F38 HydrophobicContact CE2-CZ 3.65Å; F31-F38 AromaticContact CG-CE2 3.72Å; F31-F38 HydrophobicContact CG-CE2 3.72Å; F31-F38 AromaticContact CG-CZ 3.99Å; F31-F38 HydrophobicContact CG-CZ 3.99Å; F31-F38 HydrophobicContact CZ-CZ 4.28Å; D35-F38 PolarHBondContact O-N 3.02Å; D35-F38 VanDerWaalsContact O-N 3.07Å; F38-A40 PolarHBondContact O-N 2.9Å; F38-G41 PolarHBondContact O-N 2.99Å; F38-G41 VanDerWaalsContact O-N 3.08Å; F38-T42 WeakPolarHBondContact CB-O 3.06Å; F38-P43 HydrophobicContact CD1-CB 3.91Å; F38-P43 HydrophobicContact CD2-CB 4.12Å; F38-P43 HydrophobicContact CE1-CB 3.73Å; F38-P43 HydrophobicContact CE2-CB 4Å; F38-P43 HydrophobicContact CG-CB 4.08Å; F38-P43 HydrophobicContact CZ-CB 3.78Å; F38-A66 HydrophobicContact CE2-CB 3.45Å; F38-A66 VanDerWaalsContact CE2-CB 3.45Å; F38-A66 HydrophobicContact CZ-CB 3.49Å; F38-A66 VanDerWaalsContact CZ-CB 3.49Å; F38-F78 AromaticContact CE1-CE2 3.61Å; F38-F78 HydrophobicContact CE1-CE2 3.61Å; F38-F78 HydrophobicContact CE1-CZ 4.16Å; F38-F78 AromaticContact CZ-CE2 3.81Å; F38-F78 HydrophobicContact CZ-CE2 3.81Å; F38-F78 HydrophobicContact CZ-CZ 4.37Å; F38-A80 HydrophobicContact CD1-CB 3.68Å; F38-A80 HydrophobicContact CE1-CB 3.22Å; F38-A80 HydrophobicContact CE2-CB 4.47Å; F38-A80 HydrophobicContact CZ-CB 3.68Å; F38-Y197 VanDerWaalsContact C-CD1 3.41Å; F38-Y197 VanDerWaalsContact O-CE1 3.26Å; F38-Y197 WeakPolarHBondContact O-CE1 2.97Å; F38-I199 HydrophobicContact CD1-CD1 4.18Å
39	Y	94.6	Very high	91.4	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.141	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.4	133.7	171.3	176.6	-106.1	0	0	0	110.5	G41 T42 Y197 C224 D226 F265 Q266	Y39-G41 PolarHBondContact O-N 3Å; Y39-T42 PolarHBondContact O-N 3.16Å; Y39-Y197 HydrophobicContact CD2-CD2 4.17Å; Y39-Y197 HydrophobicContact CD2-CE2 4.2Å; Y39-C224 WeakPolarHBondContact CD2-SG 3.38Å; Y39-C224 VanDerWaalsContact CG-SG 3.57Å; Y39-D226 HydrophobicContact CD2-CB 4.05Å; Y39-D226 HydrophobicContact CE2-CB 3.83Å; Y39-D226 WeakPolarHBondContact CE2-OD1 3.46Å; Y39-F265 HydrophobicContact CD1-CB 4.47Å; Y39-Q266 HydrophobicContact CD1-CB 4.14Å; Y39-Q266 HydrophobicContact CE1-CB 4.28Å; Y39-Q266 VanDerWaalsContact CE1-O 3.26Å; Y39-Q266 WeakPolarHBondContact CE1-O 3.46Å
40	A	92.5	Very high	91.9	Very high	60 Å²	60	45.3 Å²	45.3	50%	0.496	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	52.7	15.3	-174.9	0	0	0	0	0	115.8	F38 T42	F38-A40 PolarHBondContact O-N 2.9Å; A40-T42 VanDerWaalsContact C-N 3.27Å
41	G	93.8	Very high	91.9	Very high	34 Å²	34	48.3 Å²	48.3	35%	0.351	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	73.2	13.8	-173.3	0	0	0	0	0	114.8	D35 F38 Y39	D35-G41 WeakPolarHBondContact O-CA 3.19Å; F38-G41 PolarHBondContact O-N 2.99Å; F38-G41 VanDerWaalsContact O-N 3.08Å; Y39-G41 PolarHBondContact O-N 3Å
42	T	93.7	Very high	91.9	Very high	60 Å²	60	49.9 Å²	49.9	37%	0.368	30%	0.301	S	S	.	.			trans	-114.3	114.3	-171.8	-60.9	0	0	0	0	110.9	F38 Y39 A40 Q266	F38-T42 WeakPolarHBondContact CB-O 3.06Å; Y39-T42 PolarHBondContact O-N 3.16Å; A40-T42 VanDerWaalsContact C-N 3.27Å; T42-Q266 HydrophobicContact CG2-CB 4.48Å; T42-Q266 PolarHBondContact OG1-OE1 3.39Å; T42-Q266 VanDerWaalsContact OG1-OE1 3.04Å
43	P	94.8	Very high	92	Very high	33 Å²	33	49.8 Å²	49.8	21%	0.214	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-75	162.9	178.5	31.4	-36.9	0	0	0	113.6	F31 F38 A45	F31-P43 HydrophobicContact CD2-CB 3.74Å; F31-P43 HydrophobicContact CD2-CG 4.03Å; F31-P43 HydrophobicContact CE2-CB 3.6Å; F31-P43 HydrophobicContact CE2-CG 4.12Å; F38-P43 HydrophobicContact CD1-CB 3.91Å; F38-P43 HydrophobicContact CD2-CB 4.12Å; F38-P43 HydrophobicContact CE1-CB 3.73Å; F38-P43 HydrophobicContact CE2-CB 4Å; F38-P43 HydrophobicContact CG-CB 4.08Å; F38-P43 HydrophobicContact CZ-CB 3.78Å; P43-A45 PolarHBondContact O-N 3.36Å
44	P	94.9	Very high	92.1	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.071	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-52.9	127.7	178.6	-30	35.3	0	0	0	114.5	L47 F78 I199 Q263 L264	P44-L47 HydrophobicContact CB-CD1 4.09Å; P44-F78 HydrophobicContact CB-CE1 4.15Å; P44-F78 HydrophobicContact CB-CZ 4.47Å; P44-F78 HydrophobicContact CG-CD1 4.49Å; P44-F78 HydrophobicContact CG-CE1 4.03Å; P44-F78 HydrophobicContact CG-CE2 4.42Å; P44-F78 HydrophobicContact CG-CZ 4Å; P44-I199 HydrophobicContact CG-CD1 3.64Å; P44-I199 HydrophobicContact CG-CG2 4.43Å; P44-Q263 CarbonylContact C-O 3.47Å; P44-Q263 WeakPolarHBondContact CA-O 3.43Å; P44-L264 HydrophobicContact CB-CD2 4.3Å; P44-L264 HydrophobicContact CG-CD2 4.42Å
45	A	91.9	Very high	92	Very high	55 Å²	55	47.7 Å²	47.7	46%	0.455	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-85.4	141.6	173.8	0	0	0	0	0	110.5	P43 P262 Q263	P43-A45 PolarHBondContact O-N 3.36Å; A45-P262 CarbonylContact O-C 3.53Å; A45-P262 WeakPolarHBondContact O-CA 3.39Å; A45-P262 WeakPolarHBondContact O-CB 3.4Å; A45-Q263 HydrophobicContact CB-CB 4.34Å; A45-Q263 PolarHBondContact N-O 3.4Å; A45-Q263 PolarHBondContact O-N 2.82Å
46	G	88.2	Confident	91.9	Very high	47 Å²	47	46.5 Å²	46.5	49%	0.485	28%	0.277	S	S	.	.	S	Bend	trans	90.6	-16.1	175.1	0	0	0	0	0	116.5
47	L	88.6	Confident	91.8	Very high	12 Å²	12	41 Å²	41	6%	0.063	26%	0.256	C	S	.	.	S	Bend	trans	-82.6	-24	176	-72.1	-179	0	0	0	114.5	P44 L68 V77 F78 W220 P262 L264	P44-L47 HydrophobicContact CB-CD1 4.09Å; L47-L68 HydrophobicContact CB-CD2 4.12Å; L47-V77 HydrophobicContact CB-CG1 4.21Å; L47-V77 HydrophobicContact CD1-CG1 4.41Å; L47-V77 HydrophobicContact CD2-CG1 4.31Å; L47-F78 HydrophobicContact CB-CD1 4.31Å; L47-F78 HydrophobicContact CB-CE1 4.18Å; L47-F78 HydrophobicContact CD1-CD1 3.56Å; L47-F78 HydrophobicContact CD1-CE1 4.03Å; L47-W220 HydrophobicContact CD1-CH2 4.23Å; L47-W220 HydrophobicContact CD1-CZ2 4.13Å; L47-P262 HydrophobicContact CD1-CB 4.42Å; L47-P262 HydrophobicContact CD1-CG 4.43Å; L47-P262 HydrophobicContact CD2-CB 3.96Å; L47-P262 HydrophobicContact CD2-CG 3.83Å; L47-P262 HydrophobicContact CG-CB 3.68Å; L47-P262 HydrophobicContact CG-CG 3.97Å; L47-L264 HydrophobicContact CD1-CD2 4.01Å
48	A	88.3	Confident	91.4	Very high	41 Å²	41	42 Å²	42	34%	0.339	26%	0.259	S	S	.	.			trans	-91.1	129.8	-175.4	0	0	0	0	0	112.6	L68	A48-L68 HydrophobicContact CB-CD1 4.04Å; A48-L68 HydrophobicContact CB-CD2 3.96Å
49	T	86.4	Confident	90.9	Very high	61 Å²	61	44.5 Å²	44.5	37%	0.374	27%	0.271	S	S	.	.			trans	-115.5	174.5	169.3	79.2	0	0	0	0	110.7	T51 H52	T49-T51 VanDerWaalsContact C-N 3.26Å; T49-T51 PolarHBondContact O-N 2.92Å; T49-T51 PolarHBondContact OG1-N 2.77Å; T49-T51 PolarHBondContact OG1-OG1 2.79Å; T49-H52 PolarHBondContact O-N 2.77Å; T49-H52 PolarHBondContact OG1-ND1 3.07Å
50	E	83.7	Confident	90.4	Very high	190 Å²	190	47.5 Å²	47.5	89%	0.888	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.9	-179	-59.6	-174.5	164	0	0	114.6
51	T	88.7	Confident	89.9	Confident	76 Å²	76	47.2 Å²	47.2	47%	0.466	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.2	175	67.1	0	0	0	0	113.3	T49 P71 D72	T49-T51 VanDerWaalsContact C-N 3.26Å; T49-T51 PolarHBondContact O-N 2.92Å; T49-T51 PolarHBondContact OG1-N 2.77Å; T49-T51 PolarHBondContact OG1-OG1 2.79Å; T51-P71 VanDerWaalsContact O-CD 3.28Å; T51-P71 WeakPolarHBondContact O-CD 3.11Å; T51-D72 WeakPolarHBondContact CB-OD2 3.29Å; T51-D72 PolarHBondContact OG1-OD2 3.39Å
52	H	92.9	Very high	89.6	Confident	37 Å²	37	47.9 Å²	47.9	17%	0.171	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.7	141.3	-179.3	-71.8	93	0	0	0	112.4	T49 L68 Y69 S70 V77	T49-H52 PolarHBondContact O-N 2.77Å; T49-H52 PolarHBondContact OG1-ND1 3.07Å; H52-L68 HydrophobicContact CB-CD1 3.79Å; H52-L68 HydrophobicContact CB-CG 4.2Å; H52-Y69 WeakPolarHBondContact CA-O 2.95Å; H52-Y69 PolarHBondContact CD2-O 3.29Å; H52-S70 VanDerWaalsContact CD2-CB 3.49Å; H52-S70 WeakPolarHBondContact CD2-CB 3.38Å; H52-S70 VanDerWaalsContact NE2-CB 3.33Å; H52-S70 WeakPolarHBondContact NE2-CB 3.39Å; H52-S70 PolarHBondContact NE2-OG 3.23Å; H52-S70 VanDerWaalsContact NE2-OG 3.11Å; H52-V77 WeakPolarHBondContact CD2-CG2 3.49Å; H52-V77 VanDerWaalsContact NE2-CG2 3.29Å; H52-V77 WeakPolarHBondContact NE2-CG2 3.41Å
53	V	92.8	Very high	89.5	Confident	27 Å²	27	46.8 Å²	46.8	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.9	-176.3	176.5	0	0	0	0	109.3	L23 I55 Y69 P71	L23-V53 HydrophobicContact CD1-CG1 3.88Å; L23-V53 HydrophobicContact CD2-CG1 3.37Å; L23-V53 HydrophobicContact CG-CG1 4.16Å; V53-I55 HydrophobicContact CG1-CG1 3.94Å; V53-Y69 PolarHBondContact N-O 2.64Å; V53-Y69 PolarHBondContact O-N 3.09Å; V53-P71 HydrophobicContact CG2-CG 3.59Å
54	R	92.9	Very high	89.3	Confident	50 Å²	50	48.2 Å²	48.2	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.7	174.9	-61.4	-176.8	-168	100.5	11.9	109.6	L24 P26 Q28 G30 F31 L68	L24-R54 HydrophobicContact CB-CB 4.22Å; L24-R54 HydrophobicContact CD1-CB 4Å; L24-R54 PolarHBondContact N-O 3.26Å; P26-R54 PolarHBondContact O-NH1 2.72Å; Q28-R54 PolarHBondContact O-NH1 3.36Å; G30-R54 WeakPolarHBondContact O-CD 3.25Å; F31-R54 HydrophobicContact CD1-CB 4.02Å; F31-R54 HydrophobicContact CE1-CB 3.64Å; F31-R54 HydrophobicContact CE1-CG 3.94Å; F31-R54 HydrophobicContact CZ-CB 4.16Å; F31-R54 HydrophobicContact CZ-CG 3.93Å; R54-L68 HydrophobicContact CG-CD1 3.91Å
55	I	92.3	Very high	89.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.3	-177.4	-45.9	174.4	0	0	0	108.9	L23 V53 Q57 T67 Y69 I101 T161	L23-I55 HydrophobicContact CD2-CG1 4.27Å; V53-I55 HydrophobicContact CG1-CG1 3.94Å; I55-Q57 HydrophobicContact CG2-CG 4.39Å; I55-T67 PolarHBondContact N-O 3.46Å; I55-T67 PolarHBondContact O-N 3.1Å; I55-Y69 HydrophobicContact CD1-CG 4.27Å; I55-I101 HydrophobicContact CD1-CD1 3.66Å; I55-I101 HydrophobicContact CD1-CG1 4.34Å; I55-T161 HydrophobicContact CD1-CG2 3.72Å
56	C	92.9	Very high	89.5	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	104.8	163	176.6	0	0	0	0	107.1	C34 R58	C34-C56 HydrophobicContact CB-CB 3.61Å; C34-C56 WeakPolarHBondContact CB-SG 3.34Å; C34-C56 PolarHBondContact N-SG 2.89Å; C34-C56 VanDerWaalsContact N-SG 3.41Å; C34-C56 VanDerWaalsContact SG-C 3.57Å; C34-C56 WeakPolarHBondContact SG-CA 3.36Å; C34-C56 WeakPolarHBondContact SG-CB 3.39Å; C34-C56 CovalentContact SG-SG 2.03Å; C34-C56 PolarHBondContact SG-SG 2.81Å; C56-R58 PolarHBondContact O-N 2.8Å
57	Q	91.5	Very high	89.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.5	-172	-52.3	-76.5	13.3	0	0	109.2	I55 R64 F65 T67 T161	I55-Q57 HydrophobicContact CG2-CG 4.39Å; Q57-R64 PolarHBondContact O-N 3.08Å; Q57-F65 HydrophobicContact CB-CD1 4.17Å; Q57-F65 HydrophobicContact CB-CD2 4.36Å; Q57-F65 HydrophobicContact CB-CE1 4.29Å; Q57-F65 HydrophobicContact CB-CE2 4.47Å; Q57-F65 HydrophobicContact CB-CG 4.21Å; Q57-F65 HydrophobicContact CB-CZ 4.43Å; Q57-F65 VanDerWaalsContact CB-O 3.25Å; Q57-F65 WeakPolarHBondContact CB-O 3.33Å; Q57-F65 HydrophobicContact CG-CD1 4.38Å; Q57-F65 HydrophobicContact CG-CD2 3.73Å; Q57-F65 HydrophobicContact CG-CE1 4.35Å; Q57-F65 HydrophobicContact CG-CE2 3.7Å; Q57-F65 HydrophobicContact CG-CG 4.09Å; Q57-F65 HydrophobicContact CG-CZ 4.02Å; Q57-F65 WeakPolarHBondContact CG-O 3.3Å; Q57-F65 PolarHBondContact N-O 3.44Å; Q57-T67 PolarHBondContact NE2-OG1 3.05Å; Q57-T161 PolarHBondContact NE2-OG1 3.13Å
58	R	88.2	Confident	90.3	Very high	42 Å²	42	42.3 Å²	42.3	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157.7	174.6	-44.3	177.9	88.8	94.7	6.4	110.9	E33 C56 G61 A62 E63 E110 V111	E33-R58 IonicContact OE2-CZ 3.38Å; E33-R58 VanDerWaalsContact OE2-CZ 3.23Å; E33-R58 IonicContact OE2-NH1 2.7Å; E33-R58 PolarHBondContact OE2-NH1 2.97Å; E33-R58 IonicContact OE2-NH2 3.38Å; E33-R58 PolarHBondContact OE2-NH2 2.81Å; C56-R58 PolarHBondContact O-N 2.8Å; R58-G61 PolarHBondContact NE-O 2.82Å; R58-G61 PolarHBondContact NH2-O 2.79Å; R58-G61 VanDerWaalsContact NH2-O 3.07Å; R58-A62 CarbonylContact C-O 3.59Å; R58-A62 WeakPolarHBondContact CA-O 3.37Å; R58-E63 IonicContact NH2-OE1 2.88Å; R58-E63 PolarHBondContact NH2-OE1 2.74Å; R58-E110 WeakPolarHBondContact CB-OE2 3.03Å; R58-E110 VanDerWaalsContact CD-OE2 3.25Å; R58-E110 WeakPolarHBondContact CD-OE2 3.21Å; R58-E110 WeakPolarHBondContact CG-OE2 3.03Å; R58-V111 WeakPolarHBondContact O-CG2 3.43Å
59	F	85.9	Confident	90.7	Very high	56 Å²	56	40.4 Å²	40.4	25%	0.246	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	132.6	166.6	-175.4	-106.7	0	0	0	108.9	G61 A62 R64 V111 L149 T157	F59-G61 PolarHBondContact O-N 3.4Å; F59-A62 PolarHBondContact N-O 2.68Å; F59-A62 PolarHBondContact O-N 3.42Å; F59-A62 VanDerWaalsContact O-N 3.1Å; F59-R64 HydrophobicContact CB-CG 3.84Å; F59-V111 HydrophobicContact CD2-CB 4.21Å; F59-V111 HydrophobicContact CD2-CG1 4.16Å; F59-L149 HydrophobicContact CB-CB 4.02Å; F59-L149 HydrophobicContact CB-CD2 4.32Å; F59-L149 HydrophobicContact CD1-CB 4.07Å; F59-L149 VanDerWaalsContact CD1-O 3.23Å; F59-L149 WeakPolarHBondContact CD1-O 3.39Å; F59-L149 HydrophobicContact CD2-CB 4.1Å; F59-L149 HydrophobicContact CD2-CD1 4.36Å; F59-L149 HydrophobicContact CG-CB 3.79Å; F59-T157 HydrophobicContact CD2-CG2 4.28Å; F59-T157 HydrophobicContact CE2-CG2 3.68Å; F59-T157 HydrophobicContact CZ-CG2 3.9Å
60	A	84.3	Confident	91.2	Very high	98 Å²	98	37.6 Å²	37.6	81%	0.81	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	39.7	-171	0	0	0	0	0	113.2	A62	A60-A62 PolarHBondContact O-N 2.96Å
61	G	81.9	Confident	91.7	Very high	54 Å²	54	29.5 Å²	29.5	56%	0.557	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-19.3	-178.9	0	0	0	0	0	116.1	R58 F59	R58-G61 PolarHBondContact NE-O 2.82Å; R58-G61 PolarHBondContact NH2-O 2.79Å; R58-G61 VanDerWaalsContact NH2-O 3.07Å; F59-G61 PolarHBondContact O-N 3.4Å
62	A	87.8	Confident	92	Very high	48 Å²	48	30 Å²	30	40%	0.397	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.4	179.9	0	0	0	0	0	112.1	R58 F59 A60	R58-A62 CarbonylContact C-O 3.59Å; R58-A62 WeakPolarHBondContact CA-O 3.37Å; F59-A62 PolarHBondContact N-O 2.68Å; F59-A62 PolarHBondContact O-N 3.42Å; F59-A62 VanDerWaalsContact O-N 3.1Å; A60-A62 PolarHBondContact O-N 2.96Å
63	E	90.5	Very high	92.2	Very high	38 Å²	38	30.9 Å²	30.9	18%	0.178	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140	-179.1	-42.9	85.8	153.1	0	0	110.9	E33 R36 F37 R58	E33-E63 HydrophobicContact CB-CG 4.08Å; R36-E63 VanDerWaalsContact CZ-CD 3.44Å; R36-E63 IonicContact CZ-OE1 2.7Å; R36-E63 IonicContact CZ-OE2 3.97Å; R36-E63 IonicContact NH1-OE1 3.14Å; R36-E63 IonicContact NH1-OE2 3.32Å; R36-E63 PolarHBondContact NH1-OE2 3.3Å; R36-E63 IonicContact NH2-OE1 2.69Å; R36-E63 PolarHBondContact NH2-OE1 2.86Å; R36-E63 IonicContact NH2-OE2 3.27Å; R36-E63 PolarHBondContact NH2-OE2 3.1Å; F37-E63 HydrophobicContact CE2-CB 3.99Å; F37-E63 HydrophobicContact CZ-CB 4.3Å; R58-E63 IonicContact NH2-OE1 2.88Å; R58-E63 PolarHBondContact NH2-OE1 2.74Å
64	R	91.6	Very high	92.4	Very high	63 Å²	63	31 Å²	31	24%	0.238	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-45.4	-169.1	-60.4	-60.8	-64.6	-160.2	-1.3	113	F37 Q57 F59 F147 L148 L149	F37-R64 WeakPolarHBondContact CE1-O 3.45Å; F37-R64 WeakPolarHBondContact CZ-O 3.49Å; Q57-R64 PolarHBondContact O-N 3.08Å; F59-R64 HydrophobicContact CB-CG 3.84Å; R64-F147 HydrophobicContact CB-CE1 4.2Å; R64-L148 PolarHBondContact NH2-O 3.16Å; R64-L149 HydrophobicContact CB-CD2 3.79Å; R64-L149 HydrophobicContact CG-CD2 3.8Å; R64-L149 PolarHBondContact NH1-O 2.82Å; R64-L149 PolarHBondContact NH2-O 2.99Å; R64-L149 VanDerWaalsContact NH2-O 3.08Å
65	F	94.8	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	174.3	174.1	59.3	-85.2	0	0	0	110.7	C34 Q57 T67 A80 F81 F147 L149 P159 N162	C34-F65 PolarHBondContact SG-O 3.38Å; C34-F65 VanDerWaalsContact SG-O 3.37Å; Q57-F65 HydrophobicContact CB-CD1 4.17Å; Q57-F65 HydrophobicContact CB-CD2 4.36Å; Q57-F65 HydrophobicContact CB-CE1 4.29Å; Q57-F65 HydrophobicContact CB-CE2 4.47Å; Q57-F65 HydrophobicContact CB-CG 4.21Å; Q57-F65 HydrophobicContact CB-CZ 4.43Å; Q57-F65 VanDerWaalsContact CB-O 3.25Å; Q57-F65 WeakPolarHBondContact CB-O 3.33Å; Q57-F65 HydrophobicContact CG-CD1 4.38Å; Q57-F65 HydrophobicContact CG-CD2 3.73Å; Q57-F65 HydrophobicContact CG-CE1 4.35Å; Q57-F65 HydrophobicContact CG-CE2 3.7Å; Q57-F65 HydrophobicContact CG-CG 4.09Å; Q57-F65 HydrophobicContact CG-CZ 4.02Å; Q57-F65 WeakPolarHBondContact CG-O 3.3Å; Q57-F65 PolarHBondContact N-O 3.44Å; F65-T67 WeakPolarHBondContact CE2-OG1 3.35Å; F65-A80 WeakPolarHBondContact CB-O 3.35Å; F65-F81 HydrophobicContact CB-CD1 3.43Å; F65-F81 VanDerWaalsContact CB-CD1 3.43Å; F65-F81 HydrophobicContact CB-CE1 3.55Å; F65-F81 HydrophobicContact CB-CG 4.08Å; F65-F81 HydrophobicContact CB-CZ 4.3Å; F65-F81 HydrophobicContact CD1-CD1 4.1Å; F65-F81 AromaticContact CD1-CE1 3.49Å; F65-F81 HydrophobicContact CD1-CE1 3.49Å; F65-F81 VanDerWaalsContact CD1-CE1 3.49Å; F65-F81 HydrophobicContact CD1-CZ 4.29Å; F65-F81 HydrophobicContact CD2-CD1 4.28Å; F65-F81 AromaticContact CD2-CE1 3.55Å; F65-F81 HydrophobicContact CD2-CE1 3.55Å; F65-F81 HydrophobicContact CD2-CE2 4.35Å; F65-F81 AromaticContact CD2-CZ 3.59Å; F65-F81 HydrophobicContact CD2-CZ 3.59Å; F65-F81 AromaticContact CE1-CE1 3.91Å; F65-F81 HydrophobicContact CE1-CE1 3.91Å; F65-F81 HydrophobicContact CE1-CZ 4.45Å; F65-F81 AromaticContact CE2-CE1 3.96Å; F65-F81 HydrophobicContact CE2-CE1 3.96Å; F65-F81 AromaticContact CE2-CZ 3.78Å; F65-F81 HydrophobicContact CE2-CZ 3.78Å; F65-F81 AromaticContact CG-CD1 3.75Å; F65-F81 HydrophobicContact CG-CD1 3.75Å; F65-F81 AromaticContact CG-CE1 3.28Å; F65-F81 HydrophobicContact CG-CE1 3.28Å; F65-F81 AromaticContact CG-CZ 3.86Å; F65-F81 HydrophobicContact CG-CZ 3.86Å; F65-F81 HydrophobicContact CZ-CE1 4.13Å; F65-F81 HydrophobicContact CZ-CZ 4.21Å; F65-F147 AromaticContact CD1-CD1 3.8Å; F65-F147 HydrophobicContact CD1-CD1 3.8Å; F65-F147 HydrophobicContact CD1-CE1 4.25Å; F65-F147 HydrophobicContact CE1-CD1 4.05Å; F65-L149 HydrophobicContact CD1-CD2 4.42Å; F65-L149 HydrophobicContact CE1-CD2 3.85Å; F65-P159 HydrophobicContact CE1-CG 4.21Å; F65-P159 HydrophobicContact CZ-CG 3.67Å; F65-N162 HydrophobicContact CE2-CB 3.85Å; F65-N162 HydrophobicContact CZ-CB 3.78Å
66	A	95.7	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.9	174	0	0	0	0	0	111.2	F31 C34 F38 S79 A80	F31-A66 HydrophobicContact CB-CB 4.22Å; F31-A66 HydrophobicContact CD1-CB 3.89Å; F31-A66 HydrophobicContact CE1-CB 4.46Å; F31-A66 HydrophobicContact CG-CB 4.01Å; C34-A66 HydrophobicContact CB-CB 4.07Å; F38-A66 HydrophobicContact CE2-CB 3.45Å; F38-A66 VanDerWaalsContact CE2-CB 3.45Å; F38-A66 HydrophobicContact CZ-CB 3.49Å; F38-A66 VanDerWaalsContact CZ-CB 3.49Å; A66-S79 CarbonylContact O-C 3.58Å; A66-S79 WeakPolarHBondContact O-CA 3.33Å; A66-A80 HydrophobicContact CB-CB 4.47Å; A66-A80 PolarHBondContact N-O 3.5Å; A66-A80 PolarHBondContact O-N 2.85Å
67	T	96.4	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128.8	174.5	-61.7	0	0	0	0	111.8	F31 I55 Q57 F65 P76 F78 S79 T161	F31-T67 WeakPolarHBondContact CE1-O 3.36Å; I55-T67 PolarHBondContact N-O 3.46Å; I55-T67 PolarHBondContact O-N 3.1Å; Q57-T67 PolarHBondContact NE2-OG1 3.05Å; F65-T67 WeakPolarHBondContact CE2-OG1 3.35Å; T67-P76 HydrophobicContact CG2-CB 4Å; T67-F78 WeakPolarHBondContact CA-O 3.23Å; T67-S79 PolarHBondContact OG1-OG 3.16Å; T67-T161 WeakPolarHBondContact CG2-O 3.46Å
68	L	96.4	Very high	93.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	108.9	162.7	-174.9	69.6	0	0	0	108.3	F31 L47 A48 H52 R54 V77 F78	F31-L68 HydrophobicContact CZ-CB 4.17Å; F31-L68 HydrophobicContact CZ-CD1 4.4Å; L47-L68 HydrophobicContact CB-CD2 4.12Å; A48-L68 HydrophobicContact CB-CD1 4.04Å; A48-L68 HydrophobicContact CB-CD2 3.96Å; H52-L68 HydrophobicContact CB-CD1 3.79Å; H52-L68 HydrophobicContact CB-CG 4.2Å; R54-L68 HydrophobicContact CG-CD1 3.91Å; L68-V77 HydrophobicContact CB-CB 4.4Å; L68-V77 HydrophobicContact CD2-CB 3.96Å; L68-V77 HydrophobicContact CD2-CG1 4.11Å; L68-V77 HydrophobicContact CD2-CG2 4.24Å; L68-V77 HydrophobicContact CG-CB 4.19Å; L68-V77 HydrophobicContact CG-CG2 4.31Å; L68-V77 PolarHBondContact O-N 2.79Å; L68-F78 HydrophobicContact CB-CD1 3.79Å; L68-F78 HydrophobicContact CB-CD2 4.37Å; L68-F78 HydrophobicContact CB-CE1 3.52Å; L68-F78 HydrophobicContact CB-CE2 4.07Å; L68-F78 HydrophobicContact CB-CG 4.23Å; L68-F78 HydrophobicContact CB-CZ 3.66Å; L68-F78 HydrophobicContact CD2-CD1 3.91Å; L68-F78 HydrophobicContact CD2-CE1 3.47Å; L68-F78 VanDerWaalsContact CD2-CE1 3.47Å; L68-F78 HydrophobicContact CD2-CZ 4.27Å; L68-F78 HydrophobicContact CG-CE1 4.12Å; L68-F78 PolarHBondContact N-O 3.49Å; L68-F78 PolarHBondContact O-N 3.5Å
69	Y	96.6	Very high	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.1	-175	-168.3	-106.6	0	0	0	112	H52 V53 I55 P71 R74 I75 I101 Q128 A129 T161	H52-Y69 WeakPolarHBondContact CA-O 2.95Å; H52-Y69 PolarHBondContact CD2-O 3.29Å; V53-Y69 PolarHBondContact N-O 2.64Å; V53-Y69 PolarHBondContact O-N 3.09Å; I55-Y69 HydrophobicContact CD1-CG 4.27Å; Y69-P71 WeakPolarHBondContact O-CD 3.39Å; Y69-R74 VanDerWaalsContact CZ-C 3.48Å; Y69-R74 WeakPolarHBondContact OH-CA 3.05Å; Y69-R74 PolarHBondContact OH-O 3.23Å; Y69-I75 VanDerWaalsContact CE2-C 3.46Å; Y69-I101 HydrophobicContact CD1-CD1 3.96Å; Y69-I101 HydrophobicContact CD1-CG2 4.43Å; Y69-I101 HydrophobicContact CE1-CD1 4.12Å; Y69-I101 HydrophobicContact CE1-CG2 4.29Å; Y69-I101 HydrophobicContact CG-CD1 4.5Å; Y69-Q128 HydrophobicContact CE1-CB 4.23Å; Y69-Q128 WeakPolarHBondContact OH-CA 3.48Å; Y69-A129 PolarHBondContact OH-N 2.7Å; Y69-T161 HydrophobicContact CD2-CG2 4.19Å; Y69-T161 HydrophobicContact CE2-CG2 4.27Å; Y69-T161 HydrophobicContact CG-CG2 4.47Å
70	S	96.6	Very high	94.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.3	176.3	-169.4	0	0	0	0	110.7	H52 D72 H73 R74 I75	H52-S70 VanDerWaalsContact CD2-CB 3.49Å; H52-S70 WeakPolarHBondContact CD2-CB 3.38Å; H52-S70 VanDerWaalsContact NE2-CB 3.33Å; H52-S70 WeakPolarHBondContact NE2-CB 3.39Å; H52-S70 PolarHBondContact NE2-OG 3.23Å; H52-S70 VanDerWaalsContact NE2-OG 3.11Å; S70-D72 PolarHBondContact O-N 3.47Å; S70-H73 PolarHBondContact O-N 2.84Å; S70-H73 PolarHBondContact OG-CD2 3.46Å; S70-R74 VanDerWaalsContact O-CA 3.29Å; S70-R74 WeakPolarHBondContact O-CA 3.16Å; S70-R74 PolarHBondContact O-N 3.37Å; S70-I75 WeakPolarHBondContact CB-O 3.29Å; S70-I75 PolarHBondContact N-O 2.87Å; S70-I75 PolarHBondContact O-N 3.01Å
71	P	95.6	Very high	95	Very high	20 Å²	20	20.5 Å²	20.5	13%	0.13	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.1	173.7	-26.4	36.8	0	0	0	113.2	T51 V53 Y69 H73 R74 K127	T51-P71 VanDerWaalsContact O-CD 3.28Å; T51-P71 WeakPolarHBondContact O-CD 3.11Å; V53-P71 HydrophobicContact CG2-CG 3.59Å; Y69-P71 WeakPolarHBondContact O-CD 3.39Å; P71-H73 PolarHBondContact O-N 3.29Å; P71-R74 WeakPolarHBondContact O-CG 3.25Å; P71-K127 WeakPolarHBondContact CA-O 2.9Å; P71-K127 HydrophobicContact CB-CB 4Å; P71-K127 HydrophobicContact CB-CG 4.19Å
72	D	95.3	Very high	95.6	Very high	85 Å²	85	22.4 Å²	22.4	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.9	-176.1	-58.6	-49.5	0	0	0	111.9	T51 S70 R208	T51-D72 WeakPolarHBondContact CB-OD2 3.29Å; T51-D72 PolarHBondContact OG1-OD2 3.39Å; S70-D72 PolarHBondContact O-N 3.47Å; D72-R208 VanDerWaalsContact O-CZ 3.26Å; D72-R208 PolarHBondContact O-NH1 3.26Å; D72-R208 PolarHBondContact O-NH2 3.35Å
73	H	96.8	Very high	95.5	Very high	56 Å²	56	22.2 Å²	22.2	26%	0.259	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-15	177.4	-68.5	-74.8	0	0	0	113.9	S70 P71 I75 T214	S70-H73 PolarHBondContact O-N 2.84Å; S70-H73 PolarHBondContact OG-CD2 3.46Å; P71-H73 PolarHBondContact O-N 3.29Å; H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 HydrophobicContact CB-CD1 4.24Å; H73-I75 HydrophobicContact CB-CG1 3.66Å; H73-I75 PolarHBondContact O-N 3.24Å; H73-T214 PolarHBondContact ND1-OG1 2.82Å; H73-T214 WeakPolarHBondContact O-CB 3.4Å; H73-T214 PolarHBondContact O-N 2.76Å
74	R	97.4	Very high	95	Very high	30 Å²	30	20.6 Å²	20.6	11%	0.113	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	30.4	-174.9	-53.7	179.6	174.1	-144.6	-6.1	114.6	Y69 S70 P71 G125 S126 Q128 A129 D133 V213	Y69-R74 VanDerWaalsContact CZ-C 3.48Å; Y69-R74 WeakPolarHBondContact OH-CA 3.05Å; Y69-R74 PolarHBondContact OH-O 3.23Å; S70-R74 VanDerWaalsContact O-CA 3.29Å; S70-R74 WeakPolarHBondContact O-CA 3.16Å; S70-R74 PolarHBondContact O-N 3.37Å; P71-R74 WeakPolarHBondContact O-CG 3.25Å; R74-G125 PolarHBondContact NH1-O 2.99Å; R74-G125 PolarHBondContact NH2-O 2.9Å; R74-S126 PolarHBondContact NH2-O 3.25Å; R74-Q128 PolarHBondContact NH1-O 3.08Å; R74-A129 HydrophobicContact CB-CB 4.31Å; R74-D133 IonicContact NH1-OD2 3.73Å; R74-V213 HydrophobicContact CB-CG1 4.27Å; R74-V213 HydrophobicContact CB-CG2 4.36Å
75	I	97.4	Very high	94.8	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.4	179.9	54.7	170.4	0	0	0	111	Y69 S70 H73 V164 A202 P204 V213 T214	Y69-I75 VanDerWaalsContact CE2-C 3.46Å; S70-I75 WeakPolarHBondContact CB-O 3.29Å; S70-I75 PolarHBondContact N-O 2.87Å; S70-I75 PolarHBondContact O-N 3.01Å; H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 HydrophobicContact CB-CD1 4.24Å; H73-I75 HydrophobicContact CB-CG1 3.66Å; H73-I75 PolarHBondContact O-N 3.24Å; I75-V164 HydrophobicContact CB-CG1 3.96Å; I75-V164 HydrophobicContact CG2-CB 4.25Å; I75-V164 HydrophobicContact CG2-CG1 3.91Å; I75-A202 HydrophobicContact CD1-CB 4.39Å; I75-P204 HydrophobicContact CD1-CB 4.34Å; I75-V213 HydrophobicContact CG2-CG1 3.82Å; I75-T214 HydrophobicContact CD1-CG2 4.19Å
76	P	97.2	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.9	165.2	24.6	-32.9	0	0	0	111.5	T67 L144 T161 S163 V164	T67-P76 HydrophobicContact CG2-CB 4Å; P76-L144 HydrophobicContact CB-CD1 3.98Å; P76-L144 HydrophobicContact CG-CD1 3.45Å; P76-L144 VanDerWaalsContact CG-CD1 3.45Å; P76-L144 HydrophobicContact CG-CG 4.04Å; P76-T161 WeakPolarHBondContact CB-O 3.44Å; P76-T161 VanDerWaalsContact CD-O 3.28Å; P76-T161 WeakPolarHBondContact CD-O 3.37Å; P76-T161 WeakPolarHBondContact CG-O 3.18Å; P76-S163 WeakPolarHBondContact CD-O 3.46Å; P76-V164 HydrophobicContact CG-CG1 4.15Å
77	V	97.1	Very high	93.6	Very high	25 Å²	25	24 Å²	24	15%	0.152	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-47.1	157.3	-176.6	0	0	0	0	108.5	L47 H52 L68 G201 A202	L47-V77 HydrophobicContact CB-CG1 4.21Å; L47-V77 HydrophobicContact CD1-CG1 4.41Å; L47-V77 HydrophobicContact CD2-CG1 4.31Å; H52-V77 WeakPolarHBondContact CD2-CG2 3.49Å; H52-V77 VanDerWaalsContact NE2-CG2 3.29Å; H52-V77 WeakPolarHBondContact NE2-CG2 3.41Å; L68-V77 HydrophobicContact CB-CB 4.4Å; L68-V77 HydrophobicContact CD2-CB 3.96Å; L68-V77 HydrophobicContact CD2-CG1 4.11Å; L68-V77 HydrophobicContact CD2-CG2 4.24Å; L68-V77 HydrophobicContact CG-CB 4.19Å; L68-V77 HydrophobicContact CG-CG2 4.31Å; L68-V77 PolarHBondContact O-N 2.79Å; V77-G201 WeakPolarHBondContact O-CA 3.49Å; V77-A202 PolarHBondContact O-N 3.04Å
78	F	97.8	Very high	92.4	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.8	168.8	69.8	-101.8	0	0	0	112.8	F31 F38 P44 L47 T67 L68 A80 I199 T200 W220	F31-F78 HydrophobicContact CE2-CE2 4.47Å; F31-F78 HydrophobicContact CE2-CZ 4.08Å; F31-F78 HydrophobicContact CZ-CE2 4.18Å; F31-F78 AromaticContact CZ-CZ 3.88Å; F31-F78 HydrophobicContact CZ-CZ 3.88Å; F38-F78 AromaticContact CE1-CE2 3.61Å; F38-F78 HydrophobicContact CE1-CE2 3.61Å; F38-F78 HydrophobicContact CE1-CZ 4.16Å; F38-F78 AromaticContact CZ-CE2 3.81Å; F38-F78 HydrophobicContact CZ-CE2 3.81Å; F38-F78 HydrophobicContact CZ-CZ 4.37Å; P44-F78 HydrophobicContact CB-CE1 4.15Å; P44-F78 HydrophobicContact CB-CZ 4.47Å; P44-F78 HydrophobicContact CG-CD1 4.49Å; P44-F78 HydrophobicContact CG-CE1 4.03Å; P44-F78 HydrophobicContact CG-CE2 4.42Å; P44-F78 HydrophobicContact CG-CZ 4Å; L47-F78 HydrophobicContact CB-CD1 4.31Å; L47-F78 HydrophobicContact CB-CE1 4.18Å; L47-F78 HydrophobicContact CD1-CD1 3.56Å; L47-F78 HydrophobicContact CD1-CE1 4.03Å; T67-F78 WeakPolarHBondContact CA-O 3.23Å; L68-F78 HydrophobicContact CB-CD1 3.79Å; L68-F78 HydrophobicContact CB-CD2 4.37Å; L68-F78 HydrophobicContact CB-CE1 3.52Å; L68-F78 HydrophobicContact CB-CE2 4.07Å; L68-F78 HydrophobicContact CB-CG 4.23Å; L68-F78 HydrophobicContact CB-CZ 3.66Å; L68-F78 HydrophobicContact CD2-CD1 3.91Å; L68-F78 HydrophobicContact CD2-CE1 3.47Å; L68-F78 VanDerWaalsContact CD2-CE1 3.47Å; L68-F78 HydrophobicContact CD2-CZ 4.27Å; L68-F78 HydrophobicContact CG-CE1 4.12Å; L68-F78 PolarHBondContact N-O 3.49Å; L68-F78 PolarHBondContact O-N 3.5Å; F78-A80 HydrophobicContact CD2-CB 4.38Å; F78-A80 HydrophobicContact CE2-CB 4.4Å; F78-I199 HydrophobicContact CB-CG2 3.9Å; F78-I199 HydrophobicContact CD2-CG2 3.92Å; F78-I199 HydrophobicContact CG-CG2 4.02Å; F78-T200 CarbonylContact C-O 3.46Å; F78-T200 WeakPolarHBondContact CA-O 3.15Å; F78-T200 VanDerWaalsContact CB-O 3.27Å; F78-T200 WeakPolarHBondContact CB-O 3.42Å; F78-W220 HydrophobicContact CB-CH2 4.05Å; F78-W220 HydrophobicContact CB-CZ2 4.11Å
79	S	97.6	Very high	91	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.5	160.4	-68	0	0	0	0	110.1	A66 T67 F81 N162 I199 T200	A66-S79 CarbonylContact O-C 3.58Å; A66-S79 WeakPolarHBondContact O-CA 3.33Å; T67-S79 PolarHBondContact OG1-OG 3.16Å; S79-F81 VanDerWaalsContact CB-CE2 3.5Å; S79-N162 WeakPolarHBondContact CB-OD1 3.44Å; S79-N162 PolarHBondContact OG-OD1 2.76Å; S79-I199 WeakPolarHBondContact O-CA 3.45Å; S79-T200 PolarHBondContact N-O 3.04Å; S79-T200 PolarHBondContact O-N 3.35Å
80	A	97.8	Very high	89.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.9	-176.6	0	0	0	0	0	112.4	F37 F38 F65 A66 F78 I198 I199	F37-A80 WeakPolarHBondContact CB-O 3.43Å; F38-A80 HydrophobicContact CD1-CB 3.68Å; F38-A80 HydrophobicContact CE1-CB 3.22Å; F38-A80 HydrophobicContact CE2-CB 4.47Å; F38-A80 HydrophobicContact CZ-CB 3.68Å; F65-A80 WeakPolarHBondContact CB-O 3.35Å; A66-A80 HydrophobicContact CB-CB 4.47Å; A66-A80 PolarHBondContact N-O 3.5Å; A66-A80 PolarHBondContact O-N 2.85Å; F78-A80 HydrophobicContact CD2-CB 4.38Å; F78-A80 HydrophobicContact CE2-CB 4.4Å; A80-I198 CarbonylContact C-O 3.59Å; A80-I198 WeakPolarHBondContact CA-O 3.4Å; A80-I199 HydrophobicContact CB-CG1 3.98Å
81	F	96.2	Very high	87.1	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.3	-169.8	-54.3	-98.9	0	0	0	110.8	F65 S79 A84 Y145 F147 I198 T200	F65-F81 HydrophobicContact CB-CD1 3.43Å; F65-F81 VanDerWaalsContact CB-CD1 3.43Å; F65-F81 HydrophobicContact CB-CE1 3.55Å; F65-F81 HydrophobicContact CB-CG 4.08Å; F65-F81 HydrophobicContact CB-CZ 4.3Å; F65-F81 HydrophobicContact CD1-CD1 4.1Å; F65-F81 AromaticContact CD1-CE1 3.49Å; F65-F81 HydrophobicContact CD1-CE1 3.49Å; F65-F81 VanDerWaalsContact CD1-CE1 3.49Å; F65-F81 HydrophobicContact CD1-CZ 4.29Å; F65-F81 HydrophobicContact CD2-CD1 4.28Å; F65-F81 AromaticContact CD2-CE1 3.55Å; F65-F81 HydrophobicContact CD2-CE1 3.55Å; F65-F81 HydrophobicContact CD2-CE2 4.35Å; F65-F81 AromaticContact CD2-CZ 3.59Å; F65-F81 HydrophobicContact CD2-CZ 3.59Å; F65-F81 AromaticContact CE1-CE1 3.91Å; F65-F81 HydrophobicContact CE1-CE1 3.91Å; F65-F81 HydrophobicContact CE1-CZ 4.45Å; F65-F81 AromaticContact CE2-CE1 3.96Å; F65-F81 HydrophobicContact CE2-CE1 3.96Å; F65-F81 AromaticContact CE2-CZ 3.78Å; F65-F81 HydrophobicContact CE2-CZ 3.78Å; F65-F81 AromaticContact CG-CD1 3.75Å; F65-F81 HydrophobicContact CG-CD1 3.75Å; F65-F81 AromaticContact CG-CE1 3.28Å; F65-F81 HydrophobicContact CG-CE1 3.28Å; F65-F81 AromaticContact CG-CZ 3.86Å; F65-F81 HydrophobicContact CG-CZ 3.86Å; F65-F81 HydrophobicContact CZ-CE1 4.13Å; F65-F81 HydrophobicContact CZ-CZ 4.21Å; S79-F81 VanDerWaalsContact CB-CE2 3.5Å; F81-A84 HydrophobicContact CB-CB 3.88Å; F81-A84 HydrophobicContact CD1-CB 4.38Å; F81-A84 HydrophobicContact CG-CB 4.39Å; F81-Y145 HydrophobicContact CE2-CG 4.32Å; F81-Y145 HydrophobicContact CZ-CD1 4.48Å; F81-F147 HydrophobicContact CD1-CB 4.1Å; F81-F147 HydrophobicContact CD1-CD1 4.21Å; F81-F147 HydrophobicContact CD1-CD2 4.28Å; F81-F147 AromaticContact CD1-CG 3.94Å; F81-F147 HydrophobicContact CD1-CG 3.94Å; F81-F147 HydrophobicContact CE1-CB 3.51Å; F81-F147 AromaticContact CE1-CD1 3.99Å; F81-F147 HydrophobicContact CE1-CD1 3.99Å; F81-F147 AromaticContact CE1-CG 3.76Å; F81-F147 HydrophobicContact CE1-CG 3.76Å; F81-F147 HydrophobicContact CZ-CB 4.29Å; F81-I198 HydrophobicContact CB-CB 4.48Å; F81-I198 PolarHBondContact N-O 2.76Å; F81-I198 PolarHBondContact O-N 3.34Å; F81-T200 HydrophobicContact CE2-CG2 4.02Å
82	R	94.4	Very high	85.3	Confident	95 Å²	95	46 Å²	46	36%	0.358	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	168	-177	-173.5	174.9	164	4.1	110.1	F37 A84 K194 D195 L196 Y197	F37-R82 HydrophobicContact CD1-CB 4.14Å; R82-A84 PolarHBondContact O-N 3.29Å; R82-K194 PolarHBondContact NE-O 3.04Å; R82-K194 PolarHBondContact NH2-O 3.42Å; R82-D195 IonicContact CZ-OD1 3.57Å; R82-D195 IonicContact NH2-OD1 3.23Å; R82-D195 PolarHBondContact NH2-OD1 3.18Å; R82-L196 WeakPolarHBondContact CA-O 3.45Å; R82-Y197 HydrophobicContact CB-CD1 4.09Å; R82-Y197 HydrophobicContact CB-CE1 4.25Å; R82-Y197 HydrophobicContact CG-CD1 4.03Å; R82-Y197 HydrophobicContact CG-CE1 3.9Å; R82-Y197 PolarHBondContact NH1-OH 2.96Å; R82-Y197 VanDerWaalsContact NH1-OH 3.15Å
83	A	86.5	Confident	83.8	Confident	43 Å²	43	43.4 Å²	43.4	36%	0.355	24%	0.238	S	C	.	.	S	Bend	trans	53.8	22.7	176.5	0	0	0	0	0	115.5	G193 L196	A83-G193 WeakPolarHBondContact CA-O 3.46Å; A83-G193 VanDerWaalsContact CB-O 3.27Å; A83-G193 WeakPolarHBondContact CB-O 3.14Å; A83-L196 PolarHBondContact N-O 3.07Å
84	A	80.7	Confident	82.8	Confident	4 Å²	4	49 Å²	49	3%	0.033	26%	0.256	C	S	.	.			trans	-71.8	150.5	177.3	0	0	0	0	0	111.5	F81 R82 Y145 F147	F81-A84 HydrophobicContact CB-CB 3.88Å; F81-A84 HydrophobicContact CD1-CB 4.38Å; F81-A84 HydrophobicContact CG-CB 4.39Å; R82-A84 PolarHBondContact O-N 3.29Å; A84-Y145 HydrophobicContact CB-CE1 3.78Å; A84-Y145 PolarHBondContact O-OH 3.2Å; A84-Y145 VanDerWaalsContact O-OH 3.06Å; A84-F147 HydrophobicContact CB-CD2 3.73Å; A84-F147 HydrophobicContact CB-CE2 3.8Å
85	R	86.5	Confident	82.1	Confident	109 Å²	109	47.7 Å²	47.7	41%	0.411	25%	0.253	S	S	.	.			trans	-118	145.4	162.9	-75.8	178.1	168.3	74.3	0.1	108.4	A87 Y145 E183 I187 D192	R85-A87 PolarHBondContact O-N 2.93Å; R85-Y145 VanDerWaalsContact C-OH 3.23Å; R85-Y145 WeakPolarHBondContact CA-OH 3.4Å; R85-Y145 PolarHBondContact N-OH 3.08Å; R85-E183 WeakPolarHBondContact CD-OE1 3.34Å; R85-E183 WeakPolarHBondContact CG-OE1 3.41Å; R85-E183 IonicContact NE-OE1 3.33Å; R85-E183 PolarHBondContact NE-OE1 2.85Å; R85-E183 IonicContact NE-OE2 2.88Å; R85-I187 HydrophobicContact CG-CD1 3.7Å; R85-I187 VanDerWaalsContact NH2-CG2 3.25Å; R85-D192 PolarHBondContact NH1-O 3.42Å; R85-D192 PolarHBondContact NH2-O 3.06Å
86	P	83.9	Confident	81.8	Confident	13 Å²	13	48.6 Å²	48.6	8%	0.084	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61.7	136	172.2	-21.6	35.4	0	0	0	109.9	Y145 P146 L178 M182	P86-Y145 VanDerWaalsContact CD-OH 3.29Å; P86-Y145 WeakPolarHBondContact CD-OH 3.32Å; P86-Y145 HydrophobicContact CG-CE1 4.43Å; P86-Y145 HydrophobicContact CG-CE2 4.28Å; P86-P146 HydrophobicContact CB-CG 4.11Å; P86-L178 HydrophobicContact CG-CB 4.37Å; P86-M182 HydrophobicContact CG-CB 4Å; P86-M182 HydrophobicContact CG-CG 3.65Å
87	A	80.6	Confident	81.6	Confident	12 Å²	12	48.6 Å²	48.6	10%	0.099	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-67	147.6	169.3	0	0	0	0	0	110.2	R85 P146 L148 F158	R85-A87 PolarHBondContact O-N 2.93Å; A87-P146 HydrophobicContact CB-CB 4.35Å; A87-P146 WeakPolarHBondContact CB-O 3.41Å; A87-P146 PolarHBondContact N-O 2.66Å; A87-L148 HydrophobicContact CB-CD1 3.78Å; A87-L148 HydrophobicContact CB-CG 3.7Å; A87-F158 HydrophobicContact CB-CE1 4.23Å; A87-F158 HydrophobicContact CB-CZ 4.19Å
88	P	72.9	Confident	81.3	Confident	101 Å²	101	47.4 Å²	47.4	66%	0.656	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-55.9	149.9	169.2	-23.3	33.8	0	0	0	111.5	S90	P88-S90 PolarHBondContact O-N 3.21Å; P88-S90 VanDerWaalsContact O-N 3.14Å
89	L	66.7	Low	81	Confident	101 Å²	101	47.3 Å²	47.3	53%	0.529	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-59.5	121	172	-72.9	83.4	0	0	0	109.1	E172 Y175	L89-E172 HydrophobicContact CD2-CG 4.47Å; L89-Y175 HydrophobicContact CD2-CD2 4.15Å; L89-Y175 HydrophobicContact CG-CD2 3.94Å; L89-Y175 HydrophobicContact CG-CG 4.49Å
90	S	58	Low	80.6	Confident	43 Å²	43	47.5 Å²	47.5	30%	0.301	25%	0.251	S	S	.	.			trans	-118.4	148.6	178.7	42.9	0	0	0	0	110	P88	P88-S90 PolarHBondContact O-N 3.21Å; P88-S90 VanDerWaalsContact O-N 3.14Å
91	A	53.7	Low	80.4	Confident	93 Å²	93	47.7 Å²	47.7	77%	0.769	25%	0.251	S	S	*	.	S	Bend	trans	-78.9	150.9	-179.8	0	0	0	0	0	112.1
92	E	56.5	Low	80.2	Confident	150 Å²	150	47.7 Å²	47.7	70%	0.701	25%	0.252	S	S	*	.	S	Bend	trans	47.1	68.2	174	-153.1	-175.6	150.5	0	0	115	R94	E92-R94 PolarHBondContact O-N 3.21Å; E92-R94 IonicContact OE1-CZ 3.77Å; E92-R94 IonicContact OE1-NE 3.49Å; E92-R94 PolarHBondContact OE1-NE 3.1Å; E92-R94 IonicContact OE1-NH2 3.1Å; E92-R94 PolarHBondContact OE1-NH2 2.92Å; E92-R94 VanDerWaalsContact OE1-NH2 3.1Å
93	Q	63.9	Low	80	Confident	29 Å²	29	44.3 Å²	44.3	14%	0.136	24%	0.241	C	C	.	.			trans	-66.9	103.8	173.6	-62.2	-172.3	14.8	0	0	111.1	F158	Q93-F158 HydrophobicContact CG-CD2 4.3Å; Q93-F158 HydrophobicContact CG-CE2 4.18Å
94	R	75.8	Confident	79.9	Confident	174 Å²	174	46.1 Å²	46.1	66%	0.657	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-83.7	119.9	162	-66.9	-174	-175.4	-176.3	2.8	108.8	E92	E92-R94 PolarHBondContact O-N 3.21Å; E92-R94 IonicContact OE1-CZ 3.77Å; E92-R94 IonicContact OE1-NE 3.49Å; E92-R94 PolarHBondContact OE1-NE 3.1Å; E92-R94 IonicContact OE1-NH2 3.1Å; E92-R94 PolarHBondContact OE1-NH2 2.92Å; E92-R94 VanDerWaalsContact OE1-NH2 3.1Å
95	G	84.2	Confident	80	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.5	-178.2	0	0	0	0	0	111.8	N131 L160	G95-N131 PolarHBondContact N-OD1 2.88Å; G95-N131 PolarHBondContact O-ND2 3.07Å; G95-N131 PolarHBondContact O-OD1 2.98Å; G95-L160 WeakPolarHBondContact O-CD1 3.35Å
96	L	90.5	Very high	79.9	Confident	21 Å²	21	43.3 Å²	43.3	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	151.3	-178.2	-57.1	168.2	0	0	0	110.7	V111 I112 E113 T157 F158 P159 L160	L96-V111 HydrophobicContact CB-CG1 3.61Å; L96-V111 HydrophobicContact CD1-CG1 3.55Å; L96-V111 HydrophobicContact CG-CG1 4.2Å; L96-I112 CarbonylContact C-O 3.57Å; L96-I112 WeakPolarHBondContact CA-O 3.32Å; L96-E113 HydrophobicContact CD2-CB 4.34Å; L96-E113 HydrophobicContact CD2-CG 3.74Å; L96-T157 HydrophobicContact CD1-CG2 3.33Å; L96-F158 WeakPolarHBondContact CB-O 3.28Å; L96-F158 PolarHBondContact N-O 3.43Å; L96-P159 CarbonylContact O-C 3.58Å; L96-P159 WeakPolarHBondContact O-CA 3.37Å; L96-L160 WeakPolarHBondContact O-CB 3.49Å; L96-L160 PolarHBondContact O-N 3.05Å
97	L	92.1	Very high	79.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-104.4	156.3	-170.9	-61.2	179.1	0	0	0	112.4	P99 V111 I112 E114 A117 L124 Q128 A129 L130 L160	L97-P99 WeakPolarHBondContact O-CD 3.29Å; L97-V111 WeakPolarHBondContact O-CA 3.47Å; L97-V111 PolarHBondContact O-N 3.16Å; L97-I112 PolarHBondContact N-O 3.31Å; L97-I112 PolarHBondContact O-N 2.86Å; L97-E114 HydrophobicContact CD1-CB 3.88Å; L97-E114 HydrophobicContact CD1-CG 4.01Å; L97-E114 HydrophobicContact CG-CB 4.45Å; L97-A117 HydrophobicContact CD1-CB 3.99Å; L97-L124 HydrophobicContact CD1-CD1 3.76Å; L97-Q128 HydrophobicContact CD2-CG 4.08Å; L97-A129 WeakPolarHBondContact CD2-O 3.19Å; L97-L130 HydrophobicContact CD1-CD2 3.78Å; L97-L130 HydrophobicContact CD2-CD2 3.9Å; L97-L160 HydrophobicContact CD2-CD1 3.47Å; L97-L160 VanDerWaalsContact CD2-CD1 3.47Å; L97-L160 HydrophobicContact CG-CD1 4.42Å
98	E	92.1	Very high	80	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.292	C	S	.	.			trans	-104.9	97	167	-66.6	-46.1	128.3	0	0	108.9	Q100 I101 E110 V111 Q128 T161	E98-Q100 PolarHBondContact O-N 2.8Å; E98-Q100 VanDerWaalsContact O-N 3.09Å; E98-Q100 PolarHBondContact OE2-NE2 2.77Å; E98-Q100 PolarHBondContact OE2-OE1 3.35Å; E98-I101 HydrophobicContact CB-CD1 3.66Å; E98-I101 HydrophobicContact CB-CG1 3.8Å; E98-I101 HydrophobicContact CG-CD1 4.29Å; E98-I101 PolarHBondContact O-N 2.99Å; E98-I101 VanDerWaalsContact O-N 3.08Å; E98-E110 WeakPolarHBondContact OE2-CB 3.45Å; E98-V111 WeakPolarHBondContact OE1-CA 3.33Å; E98-V111 WeakPolarHBondContact OE1-CG2 3.49Å; E98-V111 PolarHBondContact OE1-N 3.29Å; E98-V111 VanDerWaalsContact OE1-N 3.08Å; E98-V111 PolarHBondContact OE2-N 3.49Å; E98-Q128 PolarHBondContact O-NE2 3.16Å; E98-Q128 PolarHBondContact O-OE1 3.17Å; E98-T161 HydrophobicContact CB-CG2 4.19Å; E98-T161 HydrophobicContact CG-CG2 3.64Å
99	P	90.7	Very high	80.4	Confident	2 Å²	2	54 Å²	54	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-51.2	-36.7	-175.5	-31.9	40.1	0	0	0	114.2	L97 I101 D102 D103 L108 I112 V121	L97-P99 WeakPolarHBondContact O-CD 3.29Å; P99-I101 PolarHBondContact O-N 2.95Å; P99-D102 PolarHBondContact O-N 3.46Å; P99-D103 PolarHBondContact O-N 2.78Å; P99-L108 HydrophobicContact CB-CB 4.16Å; P99-L108 HydrophobicContact CB-CD1 4.28Å; P99-L108 HydrophobicContact CG-CB 3.89Å; P99-L108 HydrophobicContact CG-CD1 4.15Å; P99-I112 HydrophobicContact CG-CD1 3.48Å; P99-I112 VanDerWaalsContact CG-CD1 3.48Å; P99-I112 HydrophobicContact CG-CG1 3.66Å; P99-V121 HydrophobicContact CB-CG2 3.81Å; P99-V121 HydrophobicContact CG-CG2 4.42Å
100	Q	89.9	Confident	81.2	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-17.4	-176.9	69.7	-83.7	23.6	0	0	114.7	R22 L23 E98 D103 P104	R22-Q100 HydrophobicContact CB-CB 3.99Å; R22-Q100 HydrophobicContact CB-CG 4.1Å; R22-Q100 WeakPolarHBondContact O-CG 3.28Å; R22-Q100 PolarHBondContact O-NE2 2.93Å; L23-Q100 WeakPolarHBondContact CD1-O 3.39Å; L23-Q100 HydrophobicContact CD2-CG 3.67Å; L23-Q100 HydrophobicContact CG-CB 4.22Å; L23-Q100 HydrophobicContact CG-CG 3.7Å; E98-Q100 PolarHBondContact O-N 2.8Å; E98-Q100 VanDerWaalsContact O-N 3.09Å; E98-Q100 PolarHBondContact OE2-NE2 2.77Å; E98-Q100 PolarHBondContact OE2-OE1 3.35Å; Q100-D103 WeakPolarHBondContact CA-O 3.49Å; Q100-P104 WeakPolarHBondContact O-CA 3.18Å; Q100-P104 WeakPolarHBondContact O-CG 3.24Å
101	I	91.8	Very high	82.5	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-69.8	-55.3	176.1	-63	179.9	0	0	0	109.7	L23 I55 Y69 E98 P99 K127 Q128 T161	L23-I101 HydrophobicContact CD2-CG1 4.38Å; I55-I101 HydrophobicContact CD1-CD1 3.66Å; I55-I101 HydrophobicContact CD1-CG1 4.34Å; Y69-I101 HydrophobicContact CD1-CD1 3.96Å; Y69-I101 HydrophobicContact CD1-CG2 4.43Å; Y69-I101 HydrophobicContact CE1-CD1 4.12Å; Y69-I101 HydrophobicContact CE1-CG2 4.29Å; Y69-I101 HydrophobicContact CG-CD1 4.5Å; E98-I101 HydrophobicContact CB-CD1 3.66Å; E98-I101 HydrophobicContact CB-CG1 3.8Å; E98-I101 HydrophobicContact CG-CD1 4.29Å; E98-I101 PolarHBondContact O-N 2.99Å; E98-I101 VanDerWaalsContact O-N 3.08Å; P99-I101 PolarHBondContact O-N 2.95Å; I101-K127 HydrophobicContact CG2-CB 3.74Å; I101-K127 WeakPolarHBondContact O-CD 3.32Å; I101-K127 PolarHBondContact O-NZ 3.16Å; I101-Q128 HydrophobicContact CG2-CB 4.17Å; I101-T161 HydrophobicContact CD1-CG2 3.38Å
102	D	92.1	Very high	84	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-52.7	176.4	-69.9	-47.2	0	0	0	110.6	P99 V121 N123 G125 S126 K127 Q128	P99-D102 PolarHBondContact O-N 3.46Å; D102-V121 HydrophobicContact CB-CG1 3.9Å; D102-N123 WeakPolarHBondContact CB-O 3.45Å; D102-G125 VanDerWaalsContact CG-N 3.26Å; D102-G125 PolarHBondContact OD1-N 2.82Å; D102-G125 PolarHBondContact OD2-N 3.45Å; D102-S126 PolarHBondContact OD1-N 2.88Å; D102-S126 PolarHBondContact OD1-OG 2.8Å; D102-K127 PolarHBondContact O-NZ 2.82Å; D102-K127 PolarHBondContact OD1-N 2.88Å; D102-Q128 PolarHBondContact OD1-N 2.93Å; D102-Q128 WeakPolarHBondContact OD2-CG 3.49Å; D102-Q128 PolarHBondContact OD2-NE2 3.38Å
103	D	90.3	Very high	85.6	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.128	23%	0.231	C	C	.	.			trans	-123.3	92.2	-176.2	-175.5	-2.2	0	0	0	112.1	P99 Q100 G105 S106 V121 N122	P99-D103 PolarHBondContact O-N 2.78Å; Q100-D103 WeakPolarHBondContact CA-O 3.49Å; D103-G105 PolarHBondContact O-N 3.48Å; D103-G105 WeakPolarHBondContact OD1-CA 3.4Å; D103-G105 PolarHBondContact OD1-N 3.41Å; D103-S106 WeakPolarHBondContact O-CB 3.22Å; D103-S106 PolarHBondContact O-N 2.92Å; D103-S106 PolarHBondContact OD1-N 3.11Å; D103-V121 HydrophobicContact CB-CG1 3.94Å; D103-N122 HydrophobicContact CB-CB 4.27Å; D103-N122 WeakPolarHBondContact OD2-CB 3.42Å; D103-N122 PolarHBondContact OD2-N 3.11Å; D103-N122 PolarHBondContact OD2-ND2 3.21Å
104	P	85.3	Confident	86.8	Confident	80 Å²	80	45 Å²	45	52%	0.519	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.9	175.5	-25.7	34.9	0	0	0	115.1	Q100	Q100-P104 WeakPolarHBondContact O-CA 3.18Å; Q100-P104 WeakPolarHBondContact O-CG 3.24Å
105	G	82.1	Confident	87.3	Confident	49 Å²	49	40 Å²	40	51%	0.505	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.2	173.2	0	0	0	0	0	114.2	D103 N107	D103-G105 PolarHBondContact O-N 3.48Å; D103-G105 WeakPolarHBondContact OD1-CA 3.4Å; D103-G105 PolarHBondContact OD1-N 3.41Å; G105-N107 PolarHBondContact O-N 2.81Å
106	S	85	Confident	87.5	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.042	25%	0.253	C	S	.	.			trans	-57.7	135.7	-177.8	-173.1	0	0	0	0	111.6	R22 D103	R22-S106 PolarHBondContact NE-O 3.44Å; R22-S106 PolarHBondContact NH1-O 2.86Å; D103-S106 WeakPolarHBondContact O-CB 3.22Å; D103-S106 PolarHBondContact O-N 2.92Å; D103-S106 PolarHBondContact OD1-N 3.11Å
107	N	82.5	Confident	87.3	Confident	134 Å²	134	43.6 Å²	43.6	72%	0.717	25%	0.248	S	C	*	.			trans	-97	7	-179	-72.9	-45.4	0	0	0	114.4	R22 G105	R22-N107 PolarHBondContact NH1-OD1 2.76Å; G105-N107 PolarHBondContact O-N 2.81Å
108	L	84.1	Confident	87.1	Confident	53 Å²	53	48.2 Å²	48.2	28%	0.277	28%	0.276	S	S	.	.	S	Bend	trans	-69.9	164.9	175.3	-58	177.1	0	0	0	110.9	P99 I112 V121	P99-L108 HydrophobicContact CB-CB 4.16Å; P99-L108 HydrophobicContact CB-CD1 4.28Å; P99-L108 HydrophobicContact CG-CB 3.89Å; P99-L108 HydrophobicContact CG-CD1 4.15Å; L108-I112 HydrophobicContact CB-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CD1 3.45Å; L108-I112 VanDerWaalsContact CD1-CD1 3.45Å; L108-I112 HydrophobicContact CG-CD1 4.4Å; L108-V121 HydrophobicContact CD1-CG2 3.58Å
109	E	82.1	Confident	86.7	Confident	164 Å²	164	54.2 Å²	54.2	77%	0.766	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-75.5	167.5	170	-61.5	-173.2	167.7	0	0	110.7	I112	E109-I112 WeakPolarHBondContact O-CG2 3.46Å
110	E	82.1	Confident	86.5	Confident	43 Å²	43	56.9 Å²	56.9	20%	0.201	33%	0.332	C	S	.	.	S	Bend	trans	-76.4	154.5	175	-63.9	169.5	-155.6	0	0	110	R58 E98	R58-E110 WeakPolarHBondContact CB-OE2 3.03Å; R58-E110 VanDerWaalsContact CD-OE2 3.25Å; R58-E110 WeakPolarHBondContact CD-OE2 3.21Å; R58-E110 WeakPolarHBondContact CG-OE2 3.03Å; E98-E110 WeakPolarHBondContact OE2-CB 3.45Å
111	V	84.7	Confident	86.4	Confident	12 Å²	12	57.2 Å²	57.2	7%	0.073	33%	0.334	C	S	.	.	S	Bend	trans	53.9	72.7	-179.1	-168.3	0	0	0	0	114	R58 F59 L96 L97 E98 L149 T157	R58-V111 WeakPolarHBondContact O-CG2 3.43Å; F59-V111 HydrophobicContact CD2-CB 4.21Å; F59-V111 HydrophobicContact CD2-CG1 4.16Å; L96-V111 HydrophobicContact CB-CG1 3.61Å; L96-V111 HydrophobicContact CD1-CG1 3.55Å; L96-V111 HydrophobicContact CG-CG1 4.2Å; L97-V111 WeakPolarHBondContact O-CA 3.47Å; L97-V111 PolarHBondContact O-N 3.16Å; E98-V111 WeakPolarHBondContact OE1-CA 3.33Å; E98-V111 WeakPolarHBondContact OE1-CG2 3.49Å; E98-V111 PolarHBondContact OE1-N 3.29Å; E98-V111 VanDerWaalsContact OE1-N 3.08Å; E98-V111 PolarHBondContact OE2-N 3.49Å; V111-L149 HydrophobicContact CB-CD1 4.24Å; V111-L149 HydrophobicContact CG1-CD1 3.38Å; V111-L149 HydrophobicContact CG2-CD1 3.83Å; V111-T157 HydrophobicContact CG1-CG2 4.46Å
112	I	87.1	Confident	86.1	Confident	24 Å²	24	61.9 Å²	61.9	12%	0.123	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-113.8	158.3	179	70.7	167.9	0	0	0	114.7	L96 L97 P99 L108 E109 N116 A117	L96-I112 CarbonylContact C-O 3.57Å; L96-I112 WeakPolarHBondContact CA-O 3.32Å; L97-I112 PolarHBondContact N-O 3.31Å; L97-I112 PolarHBondContact O-N 2.86Å; P99-I112 HydrophobicContact CG-CD1 3.48Å; P99-I112 VanDerWaalsContact CG-CD1 3.48Å; P99-I112 HydrophobicContact CG-CG1 3.66Å; L108-I112 HydrophobicContact CB-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CD1 3.45Å; L108-I112 VanDerWaalsContact CD1-CD1 3.45Å; L108-I112 HydrophobicContact CG-CD1 4.4Å; E109-I112 WeakPolarHBondContact O-CG2 3.46Å; I112-N116 HydrophobicContact CD1-CB 4.41Å; I112-A117 HydrophobicContact CD1-CB 3.98Å
113	E	88.8	Confident	86.1	Confident	110 Å²	110	67.6 Å²	67.6	51%	0.514	39%	0.389	S	S	.	.			trans	-65.7	139.4	168.8	-67.3	-169.5	177.6	0	0	112.3	L96 A115 N116 A117	L96-E113 HydrophobicContact CD2-CB 4.34Å; L96-E113 HydrophobicContact CD2-CG 3.74Å; E113-A115 PolarHBondContact O-N 2.8Å; E113-N116 WeakPolarHBondContact O-CB 3.38Å; E113-N116 PolarHBondContact O-N 2.86Å; E113-A117 PolarHBondContact O-N 2.03Å
114	E	89.4	Confident	86.2	Confident	36 Å²	36	68.5 Å²	68.5	17%	0.168	39%	0.394	C	S	.	.	H	α-helix	trans	-53.6	-37.5	177.9	-178	169.6	143.9	0	0	113.1	L97 N116 A117 V118 L130 N131	L97-E114 HydrophobicContact CD1-CB 3.88Å; L97-E114 HydrophobicContact CD1-CG 4.01Å; L97-E114 HydrophobicContact CG-CB 4.45Å; E114-N116 PolarHBondContact O-N 3.45Å; E114-A117 WeakPolarHBondContact O-CB 3.4Å; E114-A117 PolarHBondContact O-N 3.41Å; E114-V118 VanDerWaalsContact O-CG2 3.28Å; E114-V118 WeakPolarHBondContact O-CG2 3.21Å; E114-V118 PolarHBondContact O-N 3.33Å; E114-L130 HydrophobicContact CG-CD2 4.46Å; E114-N131 VanDerWaalsContact OE2-CB 3.3Å; E114-N131 WeakPolarHBondContact OE2-CB 3.33Å; E114-N131 PolarHBondContact OE2-N 2.91Å; E114-N131 PolarHBondContact OE2-ND2 2.97Å
115	A	87	Confident	86.5	Confident	71 Å²	71	65 Å²	65	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-58.7	-33.8	177.5	0	0	0	0	0	113.4	E113	E113-A115 PolarHBondContact O-N 2.8Å
116	N	86.8	Confident	87	Confident	98 Å²	98	65.3 Å²	65.3	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-80.2	-22.7	176.9	-62.8	-35	0	0	0	112	I112 E113 E114	I112-N116 HydrophobicContact CD1-CB 4.41Å; E113-N116 WeakPolarHBondContact O-CB 3.38Å; E113-N116 PolarHBondContact O-N 2.86Å; E114-N116 PolarHBondContact O-N 3.45Å
117	A	86.9	Confident	87.5	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	38%	0.38	C	S	.	.	H	α-helix	trans	-76.5	-35.8	177.6	0	0	0	0	0	113	L97 I112 E113 E114 T119 S120 V121 L124	L97-A117 HydrophobicContact CD1-CB 3.99Å; I112-A117 HydrophobicContact CD1-CB 3.98Å; E113-A117 PolarHBondContact O-N 2.03Å; E114-A117 WeakPolarHBondContact O-CB 3.4Å; E114-A117 PolarHBondContact O-N 3.41Å; A117-T119 PolarHBondContact O-N 2.88Å; A117-S120 PolarHBondContact O-N 2.86Å; A117-V121 HydrophobicContact CB-CB 4.39Å; A117-V121 HydrophobicContact CB-CG2 3.81Å; A117-V121 PolarHBondContact O-N 2.89Å; A117-L124 HydrophobicContact CB-CD1 3.73Å; A117-L124 HydrophobicContact CB-CD2 3.89Å; A117-L124 HydrophobicContact CB-CG 4.48Å
118	V	87.4	Confident	88.1	Confident	96 Å²	96	62.2 Å²	62.2	58%	0.582	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-39.1	-169.9	-176.2	0	0	0	0	114.3	E114 L124	E114-V118 VanDerWaalsContact O-CG2 3.28Å; E114-V118 WeakPolarHBondContact O-CG2 3.21Å; E114-V118 PolarHBondContact O-N 3.33Å; V118-L124 HydrophobicContact CB-CD2 4.47Å; V118-L124 HydrophobicContact CG2-CD2 4.23Å
119	T	84.6	Confident	88.6	Confident	126 Å²	126	59.7 Å²	59.7	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.9	-175.6	55.8	0	0	0	0	114.1	A117	A117-T119 PolarHBondContact O-N 2.88Å
120	S	86	Confident	89.2	Confident	59 Å²	59	52.8 Å²	52.8	41%	0.413	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-8.6	-160.7	-60.2	0	0	0	0	114.7	A117	A117-S120 PolarHBondContact O-N 2.86Å
121	V	87.5	Confident	89.8	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	30%	0.3	C	S	.	.	S	Bend	trans	-112.4	119.1	177.7	178.9	0	0	0	0	109.9	P99 D102 D103 L108 A117 L124	P99-V121 HydrophobicContact CB-CG2 3.81Å; P99-V121 HydrophobicContact CG-CG2 4.42Å; D102-V121 HydrophobicContact CB-CG1 3.9Å; D103-V121 HydrophobicContact CB-CG1 3.94Å; L108-V121 HydrophobicContact CD1-CG2 3.58Å; A117-V121 HydrophobicContact CB-CB 4.39Å; A117-V121 HydrophobicContact CB-CG2 3.81Å; A117-V121 PolarHBondContact O-N 2.89Å; V121-L124 HydrophobicContact CB-CB 4.37Å; V121-L124 HydrophobicContact CB-CD1 4.21Å; V121-L124 HydrophobicContact CG1-CB 4.31Å; V121-L124 HydrophobicContact CG1-CD1 4.08Å
122	N	87.3	Confident	90.1	Very high	102 Å²	102	53.7 Å²	53.7	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	136.1	176.1	-64.5	-80.8	0	0	0	110.6	D103 L124	D103-N122 HydrophobicContact CB-CB 4.27Å; D103-N122 WeakPolarHBondContact OD2-CB 3.42Å; D103-N122 PolarHBondContact OD2-N 3.11Å; D103-N122 PolarHBondContact OD2-ND2 3.21Å; N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 2.95Å
123	N	90.2	Very high	90.5	Very high	122 Å²	122	52.7 Å²	52.7	65%	0.652	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	34.9	-180	-41.9	-75.4	0	0	0	114	D102 G125 S126	D102-N123 WeakPolarHBondContact CB-O 3.45Å; N123-G125 PolarHBondContact O-N 3.24Å; N123-S126 WeakPolarHBondContact O-CB 3.3Å; N123-S126 PolarHBondContact O-N 3.28Å; N123-S126 PolarHBondContact O-OG 3.49Å
124	L	92.9	Very high	90.6	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.22	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	129	176.6	-178	62.8	0	0	0	112.5	L97 A117 V118 V121 N122 S126 L130	L97-L124 HydrophobicContact CD1-CD1 3.76Å; A117-L124 HydrophobicContact CB-CD1 3.73Å; A117-L124 HydrophobicContact CB-CD2 3.89Å; A117-L124 HydrophobicContact CB-CG 4.48Å; V118-L124 HydrophobicContact CB-CD2 4.47Å; V118-L124 HydrophobicContact CG2-CD2 4.23Å; V121-L124 HydrophobicContact CB-CB 4.37Å; V121-L124 HydrophobicContact CB-CD1 4.21Å; V121-L124 HydrophobicContact CG1-CB 4.31Å; V121-L124 HydrophobicContact CG1-CD1 4.08Å; N122-L124 VanDerWaalsContact C-N 3.28Å; N122-L124 PolarHBondContact O-N 2.95Å; L124-S126 VanDerWaalsContact C-N 3.32Å; L124-L130 HydrophobicContact CD1-CD2 3.99Å; L124-L130 HydrophobicContact CG-CD1 4.39Å; L124-L130 HydrophobicContact CG-CD2 4.06Å
125	G	92	Very high	90.8	Very high	8 Å²	8	51.4 Å²	51.4	8%	0.082	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	28.9	-177	0	0	0	0	0	113.8	R74 D102 N123	R74-G125 PolarHBondContact NH1-O 2.99Å; R74-G125 PolarHBondContact NH2-O 2.9Å; D102-G125 VanDerWaalsContact CG-N 3.26Å; D102-G125 PolarHBondContact OD1-N 2.82Å; D102-G125 PolarHBondContact OD2-N 3.45Å; N123-G125 PolarHBondContact O-N 3.24Å
126	S	93.5	Very high	90.9	Very high	54 Å²	54	56.2 Å²	56.2	38%	0.378	32%	0.32	S	S	.	.	S	Bend	trans	-86.2	-35.1	170.5	60.9	0	0	0	0	111.8	R74 D102 N123 L124	R74-S126 PolarHBondContact NH2-O 3.25Å; D102-S126 PolarHBondContact OD1-N 2.88Å; D102-S126 PolarHBondContact OD1-OG 2.8Å; N123-S126 WeakPolarHBondContact O-CB 3.3Å; N123-S126 PolarHBondContact O-N 3.28Å; N123-S126 PolarHBondContact O-OG 3.49Å; L124-S126 VanDerWaalsContact C-N 3.32Å
127	K	95	Very high	91.1	Very high	75 Å²	75	53.4 Å²	53.4	33%	0.326	31%	0.308	S	S	.	.	S	Bend	trans	-123	-22.6	-176.4	-69.2	163	-174.2	159.6	0	113.5	P71 I101 D102	P71-K127 WeakPolarHBondContact CA-O 2.9Å; P71-K127 HydrophobicContact CB-CB 4Å; P71-K127 HydrophobicContact CB-CG 4.19Å; I101-K127 HydrophobicContact CG2-CB 3.74Å; I101-K127 WeakPolarHBondContact O-CD 3.32Å; I101-K127 PolarHBondContact O-NZ 3.16Å; D102-K127 PolarHBondContact O-NZ 2.82Å; D102-K127 PolarHBondContact OD1-N 2.88Å
128	Q	95	Very high	91.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-107	166.9	171.6	77.3	-164.6	-57.5	0	0	113	Y69 R74 L97 E98 I101 D102	Y69-Q128 HydrophobicContact CE1-CB 4.23Å; Y69-Q128 WeakPolarHBondContact OH-CA 3.48Å; R74-Q128 PolarHBondContact NH1-O 3.08Å; L97-Q128 HydrophobicContact CD2-CG 4.08Å; E98-Q128 PolarHBondContact O-NE2 3.16Å; E98-Q128 PolarHBondContact O-OE1 3.17Å; I101-Q128 HydrophobicContact CG2-CB 4.17Å; D102-Q128 PolarHBondContact OD1-N 2.93Å; D102-Q128 WeakPolarHBondContact OD2-CG 3.49Å; D102-Q128 PolarHBondContact OD2-NE2 3.38Å
129	A	95.4	Very high	91.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.33	C	S	.	.			trans	-78.6	145.7	170.5	0	0	0	0	0	110.7	Y69 R74 L97 Y134 V213	Y69-A129 PolarHBondContact OH-N 2.7Å; R74-A129 HydrophobicContact CB-CB 4.31Å; L97-A129 WeakPolarHBondContact CD2-O 3.19Å; A129-Y134 HydrophobicContact CB-CE2 4.23Å; A129-V213 HydrophobicContact CB-CG1 4.2Å; A129-V213 HydrophobicContact CB-CG2 3.56Å
130	L	94.7	Very high	92	Very high	19 Å²	19	56.4 Å²	56.4	10%	0.099	31%	0.309	C	S	.	.			trans	-109.8	156.9	171.5	-60.4	-177.1	0	0	0	110.9	L97 E114 L124 A132 D133 Y134	L97-L130 HydrophobicContact CD1-CD2 3.78Å; L97-L130 HydrophobicContact CD2-CD2 3.9Å; E114-L130 HydrophobicContact CG-CD2 4.46Å; L124-L130 HydrophobicContact CD1-CD2 3.99Å; L124-L130 HydrophobicContact CG-CD1 4.39Å; L124-L130 HydrophobicContact CG-CD2 4.06Å; L130-A132 PolarHBondContact O-N 2.68Å; L130-D133 PolarHBondContact N-OD2 3.34Å; L130-D133 VanDerWaalsContact O-CB 3.29Å; L130-D133 WeakPolarHBondContact O-CB 3.26Å; L130-D133 PolarHBondContact O-N 2.83Å; L130-Y134 WeakPolarHBondContact O-CD2 3.46Å
131	N	92.7	Very high	92.3	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.171	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-39.2	171.9	-65.2	-90.8	0	0	0	110.6	G95 E114 D133 Y134 I141	G95-N131 PolarHBondContact N-OD1 2.88Å; G95-N131 PolarHBondContact O-ND2 3.07Å; G95-N131 PolarHBondContact O-OD1 2.98Å; E114-N131 VanDerWaalsContact OE2-CB 3.3Å; E114-N131 WeakPolarHBondContact OE2-CB 3.33Å; E114-N131 PolarHBondContact OE2-N 2.91Å; E114-N131 PolarHBondContact OE2-ND2 2.97Å; N131-D133 PolarHBondContact O-N 2.79Å; N131-D133 VanDerWaalsContact O-N 3.13Å; N131-Y134 PolarHBondContact O-N 2.7Å; N131-Y134 VanDerWaalsContact O-N 3.1Å; N131-I141 WeakPolarHBondContact OD1-CD1 3.29Å
132	A	92.3	Very high	92.5	Very high	42 Å²	42	53.8 Å²	53.8	35%	0.347	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-20.3	175.1	0	0	0	0	0	114.4	L130 Y134 K210	L130-A132 PolarHBondContact O-N 2.68Å; A132-Y134 VanDerWaalsContact C-N 3.32Å; A132-K210 PolarHBondContact O-NZ 3.42Å
133	D	94.3	Very high	92.8	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-73.6	-25.4	178	-62.8	-23.1	0	0	0	112.1	R74 L130 N131 V209 K210 K212 V213	R74-D133 IonicContact NH1-OD2 3.73Å; L130-D133 PolarHBondContact N-OD2 3.34Å; L130-D133 VanDerWaalsContact O-CB 3.29Å; L130-D133 WeakPolarHBondContact O-CB 3.26Å; L130-D133 PolarHBondContact O-N 2.83Å; N131-D133 PolarHBondContact O-N 2.79Å; N131-D133 VanDerWaalsContact O-N 3.13Å; D133-V209 WeakPolarHBondContact O-CG1 3.47Å; D133-K210 VanDerWaalsContact O-CD 3.25Å; D133-K210 WeakPolarHBondContact O-CD 3.24Å; D133-K210 WeakPolarHBondContact O-CE 3.49Å; D133-K212 HydrophobicContact CB-CD 4.36Å; D133-K212 WeakPolarHBondContact OD1-CD 3.26Å; D133-K212 WeakPolarHBondContact OD1-CE 3.4Å; D133-K212 IonicContact OD1-NZ 2.64Å; D133-K212 PolarHBondContact OD1-NZ 2.99Å; D133-K212 WeakPolarHBondContact OD2-CD 3.49Å; D133-K212 IonicContact OD2-NZ 3.88Å; D133-V213 HydrophobicContact CB-CG2 4.03Å
134	Y	92.8	Very high	93	Very high	13 Å²	13	43.1 Å²	43.1	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-91.5	-25.9	-178.8	-64.6	-93.3	0	0	0	114.1	A129 L130 N131 A132 S137 I141 L160 P165	A129-Y134 HydrophobicContact CB-CE2 4.23Å; L130-Y134 WeakPolarHBondContact O-CD2 3.46Å; N131-Y134 PolarHBondContact O-N 2.7Å; N131-Y134 VanDerWaalsContact O-N 3.1Å; A132-Y134 VanDerWaalsContact C-N 3.32Å; Y134-S137 VanDerWaalsContact O-CB 3.29Å; Y134-S137 WeakPolarHBondContact O-CB 3.36Å; Y134-S137 PolarHBondContact O-N 2.87Å; Y134-S137 PolarHBondContact O-OG 3.09Å; Y134-I141 HydrophobicContact CD1-CG1 4Å; Y134-I141 HydrophobicContact CD2-CD1 4.17Å; Y134-I141 HydrophobicContact CD2-CG1 3.57Å; Y134-I141 HydrophobicContact CE1-CG1 4.12Å; Y134-I141 HydrophobicContact CE2-CG1 3.73Å; Y134-I141 HydrophobicContact CG-CG1 3.72Å; Y134-L160 HydrophobicContact CE2-CD2 4.25Å; Y134-P165 HydrophobicContact CE1-CB 4.25Å; Y134-P165 HydrophobicContact CE1-CG 4.02Å
135	L	91.6	Very high	93	Very high	105 Å²	105	41.1 Å²	41.1	55%	0.55	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	147.3	177.8	-62.7	179.1	0	0	0	112	S137 K210	L135-S137 PolarHBondContact O-N 3.08Å; L135-S137 VanDerWaalsContact O-N 3.16Å; L135-K210 WeakPolarHBondContact O-CE 3.34Å; L135-K210 PolarHBondContact O-NZ 3.18Å
136	D	89.8	Confident	92.9	Very high	173 Å²	173	41 Å²	41	93%	0.925	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	31	179.4	-48.3	-50.9	0	0	0	114.2
137	S	91.5	Very high	92.5	Very high	39 Å²	39	40 Å²	40	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	-128.3	164.4	178.1	92.6	0	0	0	0	112.2	Y134 L135 Y139	Y134-S137 VanDerWaalsContact O-CB 3.29Å; Y134-S137 WeakPolarHBondContact O-CB 3.36Å; Y134-S137 PolarHBondContact O-N 2.87Å; Y134-S137 PolarHBondContact O-OG 3.09Å; L135-S137 PolarHBondContact O-N 3.08Å; L135-S137 VanDerWaalsContact O-N 3.16Å; S137-Y139 PolarHBondContact O-N 3.4Å; S137-Y139 PolarHBondContact OG-N 2.79Å; S137-Y139 PolarHBondContact OG-O 3Å
138	N	91.8	Very high	91.9	Very high	148 Å²	148	38.7 Å²	38.7	79%	0.791	21%	0.206	S	C	*	.	S	Bend	trans	-80.5	9.5	175.9	-63.3	-16	0	0	0	113.3
139	Y	93.5	Very high	91.2	Very high	64 Å²	64	38.8 Å²	38.8	25%	0.251	21%	0.206	S	C	.	.			trans	-122.8	131.5	-175.5	-67	-89.3	0	0	0	111.1	S137 P165 M166 T167 V209 I215	S137-Y139 PolarHBondContact O-N 3.4Å; S137-Y139 PolarHBondContact OG-N 2.79Å; S137-Y139 PolarHBondContact OG-O 3Å; Y139-P165 HydrophobicContact CD1-CB 3.79Å; Y139-P165 HydrophobicContact CG-CB 4.09Å; Y139-M166 CarbonylContact C-O 3.53Å; Y139-M166 WeakPolarHBondContact CA-O 3.38Å; Y139-T167 HydrophobicContact CD1-CG2 4.14Å; Y139-T167 HydrophobicContact CE1-CG2 3.81Å; Y139-V209 HydrophobicContact CD2-CG2 3.85Å; Y139-V209 HydrophobicContact CG-CG2 3.91Å; Y139-I215 HydrophobicContact CD1-CG1 4.49Å; Y139-I215 HydrophobicContact CD2-CD1 4.42Å; Y139-I215 HydrophobicContact CE1-CD1 4.17Å; Y139-I215 HydrophobicContact CE1-CG1 4.11Å; Y139-I215 HydrophobicContact CE1-CG2 3.85Å; Y139-I215 HydrophobicContact CE2-CD1 3.75Å; Y139-I215 HydrophobicContact CE2-CG1 4.41Å
140	E	91.8	Very high	90.2	Very high	73 Å²	73	40 Å²	40	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	165.5	172.1	-62.6	-176.2	-173.6	0	0	110.5	G142 M166 K168 Q171	E140-G142 PolarHBondContact O-N 3.14Å; E140-G142 VanDerWaalsContact O-N 3.16Å; E140-M166 PolarHBondContact N-O 3.49Å; E140-M166 PolarHBondContact O-N 3.46Å; E140-M166 VanDerWaalsContact O-N 3.16Å; E140-K168 WeakPolarHBondContact OE1-CD 3.43Å; E140-K168 IonicContact OE1-NZ 3.5Å; E140-Q171 PolarHBondContact OE2-NE2 3.4Å; E140-Q171 VanDerWaalsContact OE2-NE2 3.09Å
141	I	92.3	Very high	88.8	Confident	15 Å²	15	46 Å²	46	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	102.9	172	-62.4	162.3	0	0	0	107.9	N131 Y134 L160	N131-I141 WeakPolarHBondContact OD1-CD1 3.29Å; Y134-I141 HydrophobicContact CD1-CG1 4Å; Y134-I141 HydrophobicContact CD2-CD1 4.17Å; Y134-I141 HydrophobicContact CD2-CG1 3.57Å; Y134-I141 HydrophobicContact CE1-CG1 4.12Å; Y134-I141 HydrophobicContact CE2-CG1 3.73Å; Y134-I141 HydrophobicContact CG-CG1 3.72Å; I141-L160 HydrophobicContact CD1-CD2 4.06Å; I141-L160 HydrophobicContact CG1-CD2 4.13Å; I141-L160 HydrophobicContact CG2-CD2 3.76Å
142	G	92.5	Very high	87.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.7	178	0	0	0	0	0	111.9	E140 L144 S163 V164	E140-G142 PolarHBondContact O-N 3.14Å; E140-G142 VanDerWaalsContact O-N 3.16Å; G142-L144 PolarHBondContact O-N 2.8Å; G142-S163 CarbonylContact O-C 3.55Å; G142-S163 WeakPolarHBondContact O-CA 3.29Å; G142-V164 WeakPolarHBondContact CA-O 3.33Å; G142-V164 PolarHBondContact N-O 2.88Å; G142-V164 PolarHBondContact O-N 2.8Å
143	Q	93.1	Very high	86	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	135	168.9	-56.8	-59	-43.6	0	0	109.5	Y145 P146 F158 N162 S163 M166 Y175	Q143-Y145 VanDerWaalsContact C-N 3.28Å; Q143-Y145 PolarHBondContact O-N 3.06Å; Q143-P146 HydrophobicContact CB-CB 4.21Å; Q143-P146 HydrophobicContact CG-CB 4.42Å; Q143-F158 HydrophobicContact CG-CD1 4.34Å; Q143-F158 HydrophobicContact CG-CG 4.37Å; Q143-N162 PolarHBondContact OE1-ND2 3Å; Q143-S163 PolarHBondContact NE2-OG 2.91Å; Q143-S163 PolarHBondContact OE1-OG 3.46Å; Q143-M166 WeakPolarHBondContact O-CE 3.42Å; Q143-Y175 HydrophobicContact CB-CE1 4.24Å; Q143-Y175 PolarHBondContact N-OH 3.35Å; Q143-Y175 WeakPolarHBondContact O-CE1 3.49Å
144	L	94.3	Very high	84.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-62.3	-42.3	170.1	-74.2	-176.1	0	0	0	111	P76 G142 N162 V164 W174 T200 A202 V219	P76-L144 HydrophobicContact CB-CD1 3.98Å; P76-L144 HydrophobicContact CG-CD1 3.45Å; P76-L144 VanDerWaalsContact CG-CD1 3.45Å; P76-L144 HydrophobicContact CG-CG 4.04Å; G142-L144 PolarHBondContact O-N 2.8Å; L144-N162 PolarHBondContact N-O 2.81Å; L144-V164 HydrophobicContact CD2-CB 4.47Å; L144-V164 HydrophobicContact CD2-CG1 3.8Å; L144-V164 HydrophobicContact CD2-CG2 3.75Å; L144-V164 HydrophobicContact CG-CG1 4.07Å; L144-W174 PolarHBondContact O-NE1 3.46Å; L144-T200 HydrophobicContact CB-CG2 3.63Å; L144-T200 HydrophobicContact CD1-CG2 4.47Å; L144-A202 HydrophobicContact CD2-CB 4.17Å; L144-V219 HydrophobicContact CD2-CB 4.23Å; L144-V219 HydrophobicContact CD2-CG1 3.75Å
145	Y	93.3	Very high	82.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-135.8	119.9	167.9	-173.2	-74.7	0	0	0	107.7	F81 A84 R85 P86 Q143 F147 N162 L178 M182 I198 L221	F81-Y145 HydrophobicContact CE2-CG 4.32Å; F81-Y145 HydrophobicContact CZ-CD1 4.48Å; A84-Y145 HydrophobicContact CB-CE1 3.78Å; A84-Y145 PolarHBondContact O-OH 3.2Å; A84-Y145 VanDerWaalsContact O-OH 3.06Å; R85-Y145 VanDerWaalsContact C-OH 3.23Å; R85-Y145 WeakPolarHBondContact CA-OH 3.4Å; R85-Y145 PolarHBondContact N-OH 3.08Å; P86-Y145 VanDerWaalsContact CD-OH 3.29Å; P86-Y145 WeakPolarHBondContact CD-OH 3.32Å; P86-Y145 HydrophobicContact CG-CE1 4.43Å; P86-Y145 HydrophobicContact CG-CE2 4.28Å; Q143-Y145 VanDerWaalsContact C-N 3.28Å; Q143-Y145 PolarHBondContact O-N 3.06Å; Y145-F147 HydrophobicContact CD1-CB 4.07Å; Y145-F147 HydrophobicContact CE1-CB 4.44Å; Y145-F147 PolarHBondContact O-N 3.3Å; Y145-N162 PolarHBondContact O-ND2 3.01Å; Y145-L178 HydrophobicContact CD2-CD1 4.35Å; Y145-M182 HydrophobicContact CE2-CE 3.99Å; Y145-M182 HydrophobicContact CE2-CG 4.34Å; Y145-M182 HydrophobicContact CE2-SD 4.2Å; Y145-I198 HydrophobicContact CD2-CG2 4.16Å; Y145-I198 HydrophobicContact CE2-CD1 3.87Å; Y145-I198 HydrophobicContact CE2-CG2 4.14Å; Y145-L221 HydrophobicContact CD2-CD1 4.07Å; Y145-L221 HydrophobicContact CE2-CD1 4.44Å
146	P	89.8	Confident	81.6	Confident	4 Å²	4	60 Å²	60	3%	0.026	32%	0.324	C	S	.	.			trans	-73.7	99.2	-176.9	29.7	-33.6	0	0	0	109.5	P86 A87 Q143 Y175	P86-P146 HydrophobicContact CB-CG 4.11Å; A87-P146 HydrophobicContact CB-CB 4.35Å; A87-P146 WeakPolarHBondContact CB-O 3.41Å; A87-P146 PolarHBondContact N-O 2.66Å; Q143-P146 HydrophobicContact CB-CB 4.21Å; Q143-P146 HydrophobicContact CG-CB 4.42Å; P146-Y175 HydrophobicContact CB-CD1 4.44Å; P146-Y175 HydrophobicContact CB-CE1 4.15Å; P146-Y175 HydrophobicContact CG-CD1 3.82Å; P146-Y175 HydrophobicContact CG-CE1 3.98Å; P146-Y175 HydrophobicContact CG-CG 4.41Å
147	F	85.8	Confident	81	Confident	35 Å²	35	52.5 Å²	52.5	15%	0.154	28%	0.284	C	S	.	.			trans	-120.5	115.3	-179.6	-176.8	-102.8	0	0	0	110.9	R64 F65 F81 A84 Y145 L149 F158	R64-F147 HydrophobicContact CB-CE1 4.2Å; F65-F147 AromaticContact CD1-CD1 3.8Å; F65-F147 HydrophobicContact CD1-CD1 3.8Å; F65-F147 HydrophobicContact CD1-CE1 4.25Å; F65-F147 HydrophobicContact CE1-CD1 4.05Å; F81-F147 HydrophobicContact CD1-CB 4.1Å; F81-F147 HydrophobicContact CD1-CD1 4.21Å; F81-F147 HydrophobicContact CD1-CD2 4.28Å; F81-F147 AromaticContact CD1-CG 3.94Å; F81-F147 HydrophobicContact CD1-CG 3.94Å; F81-F147 HydrophobicContact CE1-CB 3.51Å; F81-F147 AromaticContact CE1-CD1 3.99Å; F81-F147 HydrophobicContact CE1-CD1 3.99Å; F81-F147 AromaticContact CE1-CG 3.76Å; F81-F147 HydrophobicContact CE1-CG 3.76Å; F81-F147 HydrophobicContact CZ-CB 4.29Å; A84-F147 HydrophobicContact CB-CD2 3.73Å; A84-F147 HydrophobicContact CB-CE2 3.8Å; Y145-F147 HydrophobicContact CD1-CB 4.07Å; Y145-F147 HydrophobicContact CE1-CB 4.44Å; Y145-F147 PolarHBondContact O-N 3.3Å; F147-L149 PolarHBondContact O-N 3.25Å; F147-F158 VanDerWaalsContact O-CD1 3.3Å; F147-F158 WeakPolarHBondContact O-CD1 3.2Å
148	L	81.9	Confident	80.8	Confident	46 Å²	46	50.7 Å²	50.7	24%	0.241	27%	0.272	C	S	.	.			trans	-68.8	128.6	-179	-81.5	165.9	0	0	0	111.5	R64 A87 S150 P156 F158	R64-L148 PolarHBondContact NH2-O 3.16Å; A87-L148 HydrophobicContact CB-CD1 3.78Å; A87-L148 HydrophobicContact CB-CG 3.7Å; L148-S150 WeakPolarHBondContact CB-O 3.28Å; L148-P156 HydrophobicContact CD2-CB 3.78Å; L148-F158 HydrophobicContact CD2-CE1 3.85Å; L148-F158 HydrophobicContact CD2-CE2 4.26Å; L148-F158 HydrophobicContact CD2-CZ 3.66Å; L148-F158 HydrophobicContact CG-CE1 3.95Å; L148-F158 HydrophobicContact CG-CZ 4.04Å
149	L	80.4	Confident	80.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-77.7	-36.5	171.5	-63.3	177.9	0	0	0	111.6	F59 R64 F65 V111 F147 T157 P159	F59-L149 HydrophobicContact CB-CB 4.02Å; F59-L149 HydrophobicContact CB-CD2 4.32Å; F59-L149 HydrophobicContact CD1-CB 4.07Å; F59-L149 VanDerWaalsContact CD1-O 3.23Å; F59-L149 WeakPolarHBondContact CD1-O 3.39Å; F59-L149 HydrophobicContact CD2-CB 4.1Å; F59-L149 HydrophobicContact CD2-CD1 4.36Å; F59-L149 HydrophobicContact CG-CB 3.79Å; R64-L149 HydrophobicContact CB-CD2 3.79Å; R64-L149 HydrophobicContact CG-CD2 3.8Å; R64-L149 PolarHBondContact NH1-O 2.82Å; R64-L149 PolarHBondContact NH2-O 2.99Å; R64-L149 VanDerWaalsContact NH2-O 3.08Å; F65-L149 HydrophobicContact CD1-CD2 4.42Å; F65-L149 HydrophobicContact CE1-CD2 3.85Å; V111-L149 HydrophobicContact CB-CD1 4.24Å; V111-L149 HydrophobicContact CG1-CD1 3.38Å; V111-L149 HydrophobicContact CG2-CD1 3.83Å; F147-L149 PolarHBondContact O-N 3.25Å; L149-T157 HydrophobicContact CB-CG2 3.79Å; L149-T157 WeakPolarHBondContact CB-O 3.25Å; L149-T157 HydrophobicContact CD1-CG2 4.14Å; L149-T157 PolarHBondContact N-O 3.1Å; L149-P159 HydrophobicContact CD1-CB 4.34Å; L149-P159 HydrophobicContact CD1-CG 4.07Å
150	S	73.9	Confident	80.6	Confident	27 Å²	27	40.6 Å²	40.6	19%	0.189	22%	0.222	C	C	.	.			trans	-112	145.2	175.2	-173	0	0	0	0	111.5	L148 D152 T157	L148-S150 WeakPolarHBondContact CB-O 3.28Å; S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 WeakPolarHBondContact OG-CB 3.38Å; S150-D152 PolarHBondContact OG-N 2.75Å; S150-D152 VanDerWaalsContact OG-N 3.16Å; S150-T157 WeakPolarHBondContact CB-OG1 3.17Å
151	N	66.2	Low	80.7	Confident	144 Å²	144	37.1 Å²	37.1	77%	0.77	21%	0.206	S	C	*	.			trans	-86.9	5.2	170.6	-68.3	5.5	0	0	0	112.5	P153	N151-P153 WeakPolarHBondContact O-CD 3.35Å
152	D	66.4	Low	80.8	Confident	75 Å²	75	36.4 Å²	36.4	40%	0.401	20%	0.202	S	C	.	.			trans	-70.4	119.1	175.7	-167.3	-32.6	0	0	0	110.4	S150 Q154	S150-D152 VanDerWaalsContact C-N 3.27Å; S150-D152 WeakPolarHBondContact OG-CB 3.38Å; S150-D152 PolarHBondContact OG-N 2.75Å; S150-D152 VanDerWaalsContact OG-N 3.16Å; D152-Q154 PolarHBondContact O-N 2.89Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.42Å; D152-Q154 PolarHBondContact OD1-N 2.81Å
153	P	58.7	Low	80.9	Confident	125 Å²	125	36.4 Å²	36.4	81%	0.812	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.7	-179.2	32	-37	0	0	0	114.1	N151	N151-P153 WeakPolarHBondContact O-CD 3.35Å
154	Q	57.5	Low	81.1	Confident	166 Å²	166	36.4 Å²	36.4	78%	0.776	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-29.4	-177.9	-61.2	-173.4	55	0	0	113.4	D152	D152-Q154 PolarHBondContact O-N 2.89Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.42Å; D152-Q154 PolarHBondContact OD1-N 2.81Å
155	V	64.3	Low	81.1	Confident	89 Å²	89	36.5 Å²	36.5	54%	0.539	20%	0.203	S	C	.	.	S	Bend	trans	-138.5	96.6	179.5	-174.3	0	0	0	0	110	T157	V155-T157 PolarHBondContact O-N 3.4Å; V155-T157 PolarHBondContact O-OG1 3.3Å
156	P	65	Low	81.1	Confident	36 Å²	36	36.6 Å²	36.6	23%	0.234	20%	0.203	C	C	.	.			trans	-68.5	104	-179.4	28.9	-34.6	0	0	0	110.6	L148 F158	L148-P156 HydrophobicContact CD2-CB 3.78Å; P156-F158 HydrophobicContact CB-CE2 3.8Å; P156-F158 HydrophobicContact CB-CZ 4.33Å; P156-F158 WeakPolarHBondContact O-CD2 3.22Å
157	T	78.1	Confident	81.3	Confident	14 Å²	14	38.4 Å²	38.4	9%	0.086	21%	0.214	C	C	.	.			trans	-88.9	114.6	-166.7	-53	0	0	0	0	111.2	F59 L96 V111 L149 S150 V155	F59-T157 HydrophobicContact CD2-CG2 4.28Å; F59-T157 HydrophobicContact CE2-CG2 3.68Å; F59-T157 HydrophobicContact CZ-CG2 3.9Å; L96-T157 HydrophobicContact CD1-CG2 3.33Å; V111-T157 HydrophobicContact CG1-CG2 4.46Å; L149-T157 HydrophobicContact CB-CG2 3.79Å; L149-T157 WeakPolarHBondContact CB-O 3.25Å; L149-T157 HydrophobicContact CD1-CG2 4.14Å; L149-T157 PolarHBondContact N-O 3.1Å; S150-T157 WeakPolarHBondContact CB-OG1 3.17Å; V155-T157 PolarHBondContact O-N 3.4Å; V155-T157 PolarHBondContact O-OG1 3.3Å
158	F	85.5	Confident	81.5	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.8	-180	-54.1	-75.2	0	0	0	112.9	A87 Q93 L96 Q143 F147 L148 P156	A87-F158 HydrophobicContact CB-CE1 4.23Å; A87-F158 HydrophobicContact CB-CZ 4.19Å; Q93-F158 HydrophobicContact CG-CD2 4.3Å; Q93-F158 HydrophobicContact CG-CE2 4.18Å; L96-F158 WeakPolarHBondContact CB-O 3.28Å; L96-F158 PolarHBondContact N-O 3.43Å; Q143-F158 HydrophobicContact CG-CD1 4.34Å; Q143-F158 HydrophobicContact CG-CG 4.37Å; F147-F158 VanDerWaalsContact O-CD1 3.3Å; F147-F158 WeakPolarHBondContact O-CD1 3.2Å; L148-F158 HydrophobicContact CD2-CE1 3.85Å; L148-F158 HydrophobicContact CD2-CE2 4.26Å; L148-F158 HydrophobicContact CD2-CZ 3.66Å; L148-F158 HydrophobicContact CG-CE1 3.95Å; L148-F158 HydrophobicContact CG-CZ 4.04Å; P156-F158 HydrophobicContact CB-CE2 3.8Å; P156-F158 HydrophobicContact CB-CZ 4.33Å; P156-F158 WeakPolarHBondContact O-CD2 3.22Å
159	P	89.5	Confident	81.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.4	179.2	37.7	-30.9	0	0	0	112.8	F65 L96 L149 T161 N162 S163	F65-P159 HydrophobicContact CE1-CG 4.21Å; F65-P159 HydrophobicContact CZ-CG 3.67Å; L96-P159 CarbonylContact O-C 3.58Å; L96-P159 WeakPolarHBondContact O-CA 3.37Å; L149-P159 HydrophobicContact CD1-CB 4.34Å; L149-P159 HydrophobicContact CD1-CG 4.07Å; P159-T161 PolarHBondContact O-N 2.97Å; P159-N162 HydrophobicContact CG-CB 4.19Å; P159-N162 PolarHBondContact O-N 3.37Å; P159-N162 VanDerWaalsContact O-N 3.11Å; P159-S163 PolarHBondContact O-OG 2.94Å
160	L	92.2	Very high	82.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-65.2	-22.7	179.5	-81.7	160.1	0	0	0	113.3	G95 L96 L97 Y134 I141 N162 S163	G95-L160 WeakPolarHBondContact O-CD1 3.35Å; L96-L160 WeakPolarHBondContact O-CB 3.49Å; L96-L160 PolarHBondContact O-N 3.05Å; L97-L160 HydrophobicContact CD2-CD1 3.47Å; L97-L160 VanDerWaalsContact CD2-CD1 3.47Å; L97-L160 HydrophobicContact CG-CD1 4.42Å; Y134-L160 HydrophobicContact CE2-CD2 4.25Å; I141-L160 HydrophobicContact CD1-CD2 4.06Å; I141-L160 HydrophobicContact CG1-CD2 4.13Å; I141-L160 HydrophobicContact CG2-CD2 3.76Å; L160-N162 PolarHBondContact O-N 2.94Å; L160-S163 VanDerWaalsContact O-CB 3.32Å; L160-S163 WeakPolarHBondContact O-CB 3.36Å; L160-S163 PolarHBondContact O-N 2.94Å
161	T	93.3	Very high	83.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-62.8	-19.6	173.4	48.2	0	0	0	0	113.7	I55 Q57 T67 Y69 P76 E98 I101 P159	I55-T161 HydrophobicContact CD1-CG2 3.72Å; Q57-T161 PolarHBondContact NE2-OG1 3.13Å; T67-T161 WeakPolarHBondContact CG2-O 3.46Å; Y69-T161 HydrophobicContact CD2-CG2 4.19Å; Y69-T161 HydrophobicContact CE2-CG2 4.27Å; Y69-T161 HydrophobicContact CG-CG2 4.47Å; P76-T161 WeakPolarHBondContact CB-O 3.44Å; P76-T161 VanDerWaalsContact CD-O 3.28Å; P76-T161 WeakPolarHBondContact CD-O 3.37Å; P76-T161 WeakPolarHBondContact CG-O 3.18Å; E98-T161 HydrophobicContact CB-CG2 4.19Å; E98-T161 HydrophobicContact CG-CG2 3.64Å; I101-T161 HydrophobicContact CD1-CG2 3.38Å; P159-T161 PolarHBondContact O-N 2.97Å
162	N	95.1	Very high	84.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-96.4	5.6	173.9	-172.9	58.2	0	0	0	113.4	F65 S79 Q143 L144 Y145 P159 L160	F65-N162 HydrophobicContact CE2-CB 3.85Å; F65-N162 HydrophobicContact CZ-CB 3.78Å; S79-N162 WeakPolarHBondContact CB-OD1 3.44Å; S79-N162 PolarHBondContact OG-OD1 2.76Å; Q143-N162 PolarHBondContact OE1-ND2 3Å; L144-N162 PolarHBondContact N-O 2.81Å; Y145-N162 PolarHBondContact O-ND2 3.01Å; P159-N162 HydrophobicContact CG-CB 4.19Å; P159-N162 PolarHBondContact O-N 3.37Å; P159-N162 VanDerWaalsContact O-N 3.11Å; L160-N162 PolarHBondContact O-N 2.94Å
163	S	94.6	Very high	85.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.4	-166.4	-52.1	0	0	0	0	113.6	P76 G142 Q143 P159 L160	P76-S163 WeakPolarHBondContact CD-O 3.46Å; G142-S163 CarbonylContact O-C 3.55Å; G142-S163 WeakPolarHBondContact O-CA 3.29Å; Q143-S163 PolarHBondContact NE2-OG 2.91Å; Q143-S163 PolarHBondContact OE1-OG 3.46Å; P159-S163 PolarHBondContact O-OG 2.94Å; L160-S163 VanDerWaalsContact O-CB 3.32Å; L160-S163 WeakPolarHBondContact O-CB 3.36Å; L160-S163 PolarHBondContact O-N 2.94Å
164	V	96.4	Very high	87.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.9	173.5	-58.6	0	0	0	0	110.6	I75 P76 G142 L144 M166 A202 P216 V219	I75-V164 HydrophobicContact CB-CG1 3.96Å; I75-V164 HydrophobicContact CG2-CB 4.25Å; I75-V164 HydrophobicContact CG2-CG1 3.91Å; P76-V164 HydrophobicContact CG-CG1 4.15Å; G142-V164 WeakPolarHBondContact CA-O 3.33Å; G142-V164 PolarHBondContact N-O 2.88Å; G142-V164 PolarHBondContact O-N 2.8Å; L144-V164 HydrophobicContact CD2-CB 4.47Å; L144-V164 HydrophobicContact CD2-CG1 3.8Å; L144-V164 HydrophobicContact CD2-CG2 3.75Å; L144-V164 HydrophobicContact CG-CG1 4.07Å; V164-M166 HydrophobicContact CG2-CE 3.59Å; V164-M166 HydrophobicContact CG2-CG 4.06Å; V164-M166 PolarHBondContact O-N 3.01Å; V164-A202 HydrophobicContact CG1-CB 3.95Å; V164-P216 HydrophobicContact CB-CG 4.05Å; V164-P216 HydrophobicContact CG2-CG 3.92Å; V164-V219 HydrophobicContact CG2-CG1 4.36Å
165	P	95.8	Very high	88.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	121.2	168.5	-24.9	35.3	0	0	0	112.2	Y134 Y139 V209 V213 T214 I215 P216	Y134-P165 HydrophobicContact CE1-CB 4.25Å; Y134-P165 HydrophobicContact CE1-CG 4.02Å; Y139-P165 HydrophobicContact CD1-CB 3.79Å; Y139-P165 HydrophobicContact CG-CB 4.09Å; P165-V209 HydrophobicContact CB-CG2 3.65Å; P165-V209 HydrophobicContact CG-CG2 3.69Å; P165-V213 HydrophobicContact CG-CB 4.21Å; P165-V213 HydrophobicContact CG-CG1 3.69Å; P165-T214 WeakPolarHBondContact CD-O 3.29Å; P165-T214 WeakPolarHBondContact CG-O 3.49Å; P165-I215 HydrophobicContact CB-CG1 3.97Å; P165-I215 HydrophobicContact CG-CG1 4.29Å; P165-P216 WeakPolarHBondContact O-CD 3.16Å
166	M	93.8	Very high	90.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.1	170.9	-65.3	-172.7	-171.5	0	0	109.8	Y139 E140 Q143 V164 F170 Q171 W174 V219	Y139-M166 CarbonylContact C-O 3.53Å; Y139-M166 WeakPolarHBondContact CA-O 3.38Å; E140-M166 PolarHBondContact N-O 3.49Å; E140-M166 PolarHBondContact O-N 3.46Å; E140-M166 VanDerWaalsContact O-N 3.16Å; Q143-M166 WeakPolarHBondContact O-CE 3.42Å; V164-M166 HydrophobicContact CG2-CE 3.59Å; V164-M166 HydrophobicContact CG2-CG 4.06Å; V164-M166 PolarHBondContact O-N 3.01Å; M166-F170 HydrophobicContact CB-CD1 4.12Å; M166-F170 HydrophobicContact CE-CE1 4.34Å; M166-F170 HydrophobicContact CG-CD1 3.88Å; M166-F170 HydrophobicContact CG-CE1 4.26Å; M166-F170 HydrophobicContact SD-CD1 3.81Å; M166-F170 HydrophobicContact SD-CE1 3.98Å; M166-Q171 HydrophobicContact CB-CB 3.92Å; M166-Q171 HydrophobicContact CB-CG 4.4Å; M166-Q171 HydrophobicContact SD-CB 4.04Å; M166-Q171 HydrophobicContact SD-CG 3.99Å; M166-W174 HydrophobicContact CE-CG 4.47Å; M166-V219 HydrophobicContact CE-CG1 4.37Å
167	T	92.6	Very high	91.6	Very high	43 Å²	43	22.9 Å²	22.9	26%	0.264	11%	0.112	S	C	.	.			trans	-70	148.9	163	60.3	0	0	0	0	108.7	Y139 S169 F170 Q171	Y139-T167 HydrophobicContact CD1-CG2 4.14Å; Y139-T167 HydrophobicContact CE1-CG2 3.81Å; T167-S169 VanDerWaalsContact C-N 3.35Å; T167-S169 PolarHBondContact O-N 2.91Å; T167-F170 WeakPolarHBondContact O-CB 3.3Å; T167-F170 PolarHBondContact O-N 3.19Å; T167-F170 VanDerWaalsContact OG1-CB 3.29Å; T167-F170 WeakPolarHBondContact OG1-CB 3.45Å; T167-Q171 PolarHBondContact O-N 3.03Å
168	K	90.6	Very high	92.4	Very high	110 Å²	110	22.2 Å²	22.2	48%	0.478	11%	0.108	S	C	.	.	H	α-helix	trans	-52.7	-48.7	-175.8	-176.5	175	-173.3	130.4	0	113.5	E140 F170 Q171 E172	E140-K168 WeakPolarHBondContact OE1-CD 3.43Å; E140-K168 IonicContact OE1-NZ 3.5Å; K168-F170 VanDerWaalsContact C-N 3.31Å; K168-F170 PolarHBondContact O-N 2.9Å; K168-Q171 WeakPolarHBondContact O-CB 3.32Å; K168-Q171 PolarHBondContact O-N 3.29Å; K168-E172 WeakPolarHBondContact CE-OE1 3.47Å; K168-E172 HydrophobicContact CG-CG 4.39Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 2.84Å
169	S	89.8	Confident	92.7	Very high	56 Å²	56	25.5 Å²	25.5	39%	0.392	13%	0.126	S	C	.	.	H	α-helix	trans	-66.9	-29.7	179.3	53.3	0	0	0	0	113.1	T167 R173	T167-S169 VanDerWaalsContact C-N 3.35Å; T167-S169 PolarHBondContact O-N 2.91Å; S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 WeakPolarHBondContact O-CG 3.08Å; S169-R173 PolarHBondContact O-N 2.91Å
170	F	92.1	Very high	92.9	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-46.8	170.1	-177.1	-90.3	0	0	0	111.3	M166 T167 K168 R173 W174 V219 K238 H239 T240	M166-F170 HydrophobicContact CB-CD1 4.12Å; M166-F170 HydrophobicContact CE-CE1 4.34Å; M166-F170 HydrophobicContact CG-CD1 3.88Å; M166-F170 HydrophobicContact CG-CE1 4.26Å; M166-F170 HydrophobicContact SD-CD1 3.81Å; M166-F170 HydrophobicContact SD-CE1 3.98Å; T167-F170 WeakPolarHBondContact O-CB 3.3Å; T167-F170 PolarHBondContact O-N 3.19Å; T167-F170 VanDerWaalsContact OG1-CB 3.29Å; T167-F170 WeakPolarHBondContact OG1-CB 3.45Å; K168-F170 VanDerWaalsContact C-N 3.31Å; K168-F170 PolarHBondContact O-N 2.9Å; F170-R173 PolarHBondContact O-N 3.4Å; F170-W174 HydrophobicContact CD1-CB 4.43Å; F170-W174 HydrophobicContact CE1-CB 4.12Å; F170-W174 HydrophobicContact CE1-CG 4.39Å; F170-W174 VanDerWaalsContact O-CB 3.27Å; F170-W174 WeakPolarHBondContact O-CB 3.14Å; F170-W174 PolarHBondContact O-N 3Å; F170-V219 HydrophobicContact CE1-CG2 4.12Å; F170-V219 HydrophobicContact CZ-CG2 3.83Å; F170-K238 HydrophobicContact CE2-CB 4.46Å; F170-K238 HydrophobicContact CE2-CD 3.95Å; F170-K238 HydrophobicContact CE2-CG 3.91Å; F170-K238 HydrophobicContact CZ-CB 4.28Å; F170-K238 HydrophobicContact CZ-CD 4.12Å; F170-K238 HydrophobicContact CZ-CG 4.17Å; F170-H239 VanDerWaalsContact CE2-O 3.31Å; F170-H239 WeakPolarHBondContact CE2-O 3.46Å; F170-T240 HydrophobicContact CE1-CG2 4.13Å; F170-T240 HydrophobicContact CE2-CG2 4.17Å; F170-T240 HydrophobicContact CZ-CG2 3.88Å
171	Q	91.8	Very high	93.1	Very high	17 Å²	17	26.2 Å²	26.2	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-49.2	-179.7	-167.2	-146.9	91.7	0	0	111.6	E140 M166 T167 K168 R173 W174 Y175	E140-Q171 PolarHBondContact OE2-NE2 3.4Å; E140-Q171 VanDerWaalsContact OE2-NE2 3.09Å; M166-Q171 HydrophobicContact CB-CB 3.92Å; M166-Q171 HydrophobicContact CB-CG 4.4Å; M166-Q171 HydrophobicContact SD-CB 4.04Å; M166-Q171 HydrophobicContact SD-CG 3.99Å; T167-Q171 PolarHBondContact O-N 3.03Å; K168-Q171 WeakPolarHBondContact O-CB 3.32Å; K168-Q171 PolarHBondContact O-N 3.29Å; Q171-R173 PolarHBondContact O-N 2.79Å; Q171-W174 PolarHBondContact O-N 2.97Å; Q171-Y175 HydrophobicContact CG-CD2 4Å; Q171-Y175 HydrophobicContact CG-CE1 4.34Å; Q171-Y175 HydrophobicContact CG-CE2 3.42Å; Q171-Y175 VanDerWaalsContact CG-CE2 3.42Å; Q171-Y175 PolarHBondContact O-N 3.47Å; Q171-Y175 VanDerWaalsContact OE1-CE2 3.26Å
172	E	90.2	Very high	93.1	Very high	90 Å²	90	26.2 Å²	26.2	42%	0.421	13%	0.131	S	C	.	.	H	α-helix	trans	-59.7	-45.6	177.9	-72.2	173.3	170.1	0	0	111.8	L89 K168 K176	L89-E172 HydrophobicContact CD2-CG 4.47Å; K168-E172 WeakPolarHBondContact CE-OE1 3.47Å; K168-E172 HydrophobicContact CG-CG 4.39Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 2.84Å; E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 3.37Å
173	R	91.6	Very high	93.1	Very high	43 Å²	43	30 Å²	30	16%	0.162	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-36.6	175.9	-68.1	-165.4	-53.8	-111.4	1.3	112.6	S169 F170 Q171 N177 E293 E300	S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 WeakPolarHBondContact O-CG 3.08Å; S169-R173 PolarHBondContact O-N 2.91Å; F170-R173 PolarHBondContact O-N 3.4Å; Q171-R173 PolarHBondContact O-N 2.79Å; R173-N177 WeakPolarHBondContact O-CB 3.16Å; R173-N177 PolarHBondContact O-N 3.32Å; R173-N177 PolarHBondContact O-OD1 2.92Å; R173-N177 VanDerWaalsContact O-OD1 3.12Å; R173-E293 WeakPolarHBondContact CD-OE1 3.39Å; R173-E293 IonicContact NE-OE1 3.51Å; R173-E300 IonicContact NH1-OE2 3.34Å
174	W	92.7	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-50.1	176.7	176.7	-118.2	0	0	0	111.4	L144 M166 F170 Q171 K176 N177 L178 V219 L221 K238 I246	L144-W174 PolarHBondContact O-NE1 3.46Å; M166-W174 HydrophobicContact CE-CG 4.47Å; F170-W174 HydrophobicContact CD1-CB 4.43Å; F170-W174 HydrophobicContact CE1-CB 4.12Å; F170-W174 HydrophobicContact CE1-CG 4.39Å; F170-W174 VanDerWaalsContact O-CB 3.27Å; F170-W174 WeakPolarHBondContact O-CB 3.14Å; F170-W174 PolarHBondContact O-N 3Å; Q171-W174 PolarHBondContact O-N 2.97Å; W174-K176 PolarHBondContact O-N 3.06Å; W174-N177 PolarHBondContact O-N 2.68Å; W174-L178 HydrophobicContact CD2-CD1 4.36Å; W174-L178 HydrophobicContact CD2-CG 4.19Å; W174-L178 HydrophobicContact CH2-CD2 4Å; W174-L178 HydrophobicContact CZ2-CD1 4Å; W174-L178 HydrophobicContact CZ2-CD2 3.81Å; W174-L178 HydrophobicContact CZ2-CG 4.05Å; W174-L178 WeakPolarHBondContact O-CG 3.23Å; W174-L178 PolarHBondContact O-N 3.02Å; W174-V219 HydrophobicContact CD2-CG2 3.92Å; W174-V219 HydrophobicContact CE3-CG2 3.86Å; W174-V219 HydrophobicContact CH2-CG2 3.77Å; W174-V219 HydrophobicContact CZ2-CB 4.43Å; W174-V219 HydrophobicContact CZ2-CG2 3.82Å; W174-V219 HydrophobicContact CZ3-CG2 3.78Å; W174-L221 HydrophobicContact CH2-CB 4.38Å; W174-K238 HydrophobicContact CE3-CB 4.18Å; W174-K238 HydrophobicContact CE3-CD 3.85Å; W174-K238 HydrophobicContact CZ3-CB 4.03Å; W174-K238 HydrophobicContact CZ3-CD 4.41Å; W174-I246 HydrophobicContact CE3-CD1 4.34Å; W174-I246 HydrophobicContact CZ3-CD1 3.74Å
175	Y	92.8	Very high	92.9	Very high	6 Å²	6	34.1 Å²	34.1	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-39	177.5	-64	-21.8	0	0	0	112.7	L89 Q143 P146 Q171 N177 L178 N179	L89-Y175 HydrophobicContact CD2-CD2 4.15Å; L89-Y175 HydrophobicContact CG-CD2 3.94Å; L89-Y175 HydrophobicContact CG-CG 4.49Å; Q143-Y175 HydrophobicContact CB-CE1 4.24Å; Q143-Y175 PolarHBondContact N-OH 3.35Å; Q143-Y175 WeakPolarHBondContact O-CE1 3.49Å; P146-Y175 HydrophobicContact CB-CD1 4.44Å; P146-Y175 HydrophobicContact CB-CE1 4.15Å; P146-Y175 HydrophobicContact CG-CD1 3.82Å; P146-Y175 HydrophobicContact CG-CE1 3.98Å; P146-Y175 HydrophobicContact CG-CG 4.41Å; Q171-Y175 HydrophobicContact CG-CD2 4Å; Q171-Y175 HydrophobicContact CG-CE1 4.34Å; Q171-Y175 HydrophobicContact CG-CE2 3.42Å; Q171-Y175 VanDerWaalsContact CG-CE2 3.42Å; Q171-Y175 PolarHBondContact O-N 3.47Å; Q171-Y175 VanDerWaalsContact OE1-CE2 3.26Å; Y175-N177 VanDerWaalsContact C-N 3.35Å; Y175-N177 PolarHBondContact O-N 2.76Å; Y175-L178 PolarHBondContact O-N 3.47Å; Y175-N179 WeakPolarHBondContact O-CB 3.35Å; Y175-N179 PolarHBondContact O-N 3.05Å
176	K	92.1	Very high	92.9	Very high	86 Å²	86	34 Å²	34	37%	0.374	16%	0.164	S	C	.	.	H	α-helix	trans	-58.8	-47.1	173.2	-173.7	-174.1	174.8	-167.7	0	111.3	E172 W174 N179 S180	E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 PolarHBondContact O-N 3.37Å; W174-K176 PolarHBondContact O-N 3.06Å; K176-N179 PolarHBondContact O-N 3.07Å; K176-S180 PolarHBondContact O-N 3.02Å; K176-S180 PolarHBondContact O-OG 3.42Å
177	N	93.4	Very high	92.9	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.032	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-46.1	179.7	-69.1	8.3	0	0	0	111.4	R173 W174 Y175 N179 S180 L181 K238 I246 E293	R173-N177 WeakPolarHBondContact O-CB 3.16Å; R173-N177 PolarHBondContact O-N 3.32Å; R173-N177 PolarHBondContact O-OD1 2.92Å; R173-N177 VanDerWaalsContact O-OD1 3.12Å; W174-N177 PolarHBondContact O-N 2.68Å; Y175-N177 VanDerWaalsContact C-N 3.35Å; Y175-N177 PolarHBondContact O-N 2.76Å; N177-N179 PolarHBondContact O-N 2.81Å; N177-S180 PolarHBondContact O-N 2.92Å; N177-L181 WeakPolarHBondContact O-CB 3.46Å; N177-L181 WeakPolarHBondContact O-CG 3.48Å; N177-L181 PolarHBondContact O-N 3.07Å; N177-K238 PolarHBondContact ND2-NZ 3.2Å; N177-I246 HydrophobicContact CB-CD1 4.08Å; N177-I246 HydrophobicContact CB-CG2 4.16Å; N177-I246 WeakPolarHBondContact ND2-CB 3.28Å; N177-I246 WeakPolarHBondContact ND2-CG2 3.32Å; N177-E293 PolarHBondContact ND2-OE2 2.92Å
178	L	93.8	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-48.3	175.2	-75.6	-175.1	0	0	0	111.7	P86 Y145 W174 Y175 S180 L181 M182 L221	P86-L178 HydrophobicContact CG-CB 4.37Å; Y145-L178 HydrophobicContact CD2-CD1 4.35Å; W174-L178 HydrophobicContact CD2-CD1 4.36Å; W174-L178 HydrophobicContact CD2-CG 4.19Å; W174-L178 HydrophobicContact CH2-CD2 4Å; W174-L178 HydrophobicContact CZ2-CD1 4Å; W174-L178 HydrophobicContact CZ2-CD2 3.81Å; W174-L178 HydrophobicContact CZ2-CG 4.05Å; W174-L178 WeakPolarHBondContact O-CG 3.23Å; W174-L178 PolarHBondContact O-N 3.02Å; Y175-L178 PolarHBondContact O-N 3.47Å; L178-S180 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.03Å; L178-M182 WeakPolarHBondContact O-CB 3.45Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 2.97Å; L178-L221 HydrophobicContact CD2-CD1 3.52Å
179	N	93.6	Very high	93.1	Very high	70 Å²	70	32.7 Å²	32.7	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-45.1	178.9	-175.1	87.9	0	0	0	111.9	Y175 K176 N177 E183	Y175-N179 WeakPolarHBondContact O-CB 3.35Å; Y175-N179 PolarHBondContact O-N 3.05Å; K176-N179 PolarHBondContact O-N 3.07Å; N177-N179 PolarHBondContact O-N 2.81Å; N179-E183 PolarHBondContact O-N 2.78Å; N179-E183 VanDerWaalsContact O-N 3.09Å
180	S	93.6	Very high	93.2	Very high	16 Å²	16	30 Å²	30	11%	0.112	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-43.6	176.5	-75.8	0	0	0	0	113.3	K176 N177 L178 R184	K176-S180 PolarHBondContact O-N 3.02Å; K176-S180 PolarHBondContact O-OG 3.42Å; N177-S180 PolarHBondContact O-N 2.92Å; L178-S180 PolarHBondContact O-N 3.07Å; S180-R184 WeakPolarHBondContact O-CB 3.31Å; S180-R184 PolarHBondContact O-N 2.81Å
181	L	94.9	Very high	92.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.159	C	C	.	.	I	π-helix	trans	-62.8	-46.3	177.1	-73.7	-176.2	0	0	0	111.6	N177 L178 A185 L186 F236 I246 V286	N177-L181 WeakPolarHBondContact O-CB 3.46Å; N177-L181 WeakPolarHBondContact O-CG 3.48Å; N177-L181 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.03Å; L181-A185 CarbonylContact O-C 3.55Å; L181-A185 WeakPolarHBondContact O-CA 3.44Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.24Å; L181-A185 PolarHBondContact O-N 2.91Å; L181-L186 PolarHBondContact O-N 2.88Å; L181-F236 HydrophobicContact CD1-CD1 3.87Å; L181-F236 HydrophobicContact CD1-CD2 4.23Å; L181-F236 HydrophobicContact CD1-CE1 3.97Å; L181-F236 HydrophobicContact CD1-CE2 4.32Å; L181-F236 HydrophobicContact CD1-CG 4Å; L181-F236 HydrophobicContact CD1-CZ 4.19Å; L181-F236 HydrophobicContact CD2-CE1 4.2Å; L181-F236 HydrophobicContact CD2-CZ 4.43Å; L181-I246 HydrophobicContact CD1-CD1 3.56Å; L181-I246 HydrophobicContact CD1-CG1 4.43Å; L181-V286 HydrophobicContact CD2-CB 4.42Å; L181-V286 HydrophobicContact CD2-CG2 3.66Å
182	M	94.6	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-64.2	-56.3	-178	-65.9	-66.6	147.4	0	0	111.1	P86 Y145 L178 L186 I187 L196 I198 L221	P86-M182 HydrophobicContact CG-CB 4Å; P86-M182 HydrophobicContact CG-CG 3.65Å; Y145-M182 HydrophobicContact CE2-CE 3.99Å; Y145-M182 HydrophobicContact CE2-CG 4.34Å; Y145-M182 HydrophobicContact CE2-SD 4.2Å; L178-M182 WeakPolarHBondContact O-CB 3.45Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 2.97Å; M182-L186 HydrophobicContact CE-CD1 3.58Å; M182-L186 PolarHBondContact O-N 3.23Å; M182-L186 HydrophobicContact SD-CB 4.44Å; M182-L186 HydrophobicContact SD-CD1 3.96Å; M182-I187 HydrophobicContact CB-CD1 4.04Å; M182-I187 WeakPolarHBondContact O-CB 3.46Å; M182-I187 WeakPolarHBondContact O-CG1 3.49Å; M182-I187 PolarHBondContact O-N 2.79Å; M182-L196 HydrophobicContact SD-CD2 4.36Å; M182-I198 HydrophobicContact CE-CD1 3.97Å; M182-I198 HydrophobicContact SD-CD1 3.59Å; M182-I198 VanDerWaalsContact SD-CD1 3.59Å; M182-L221 HydrophobicContact CE-CD1 3.65Å; M182-L221 HydrophobicContact CE-CD2 3.96Å
183	E	94	Very high	92.5	Very high	80 Å²	80	31.3 Å²	31.3	37%	0.374	16%	0.163	S	C	.	.	I	π-helix	trans	-80.2	-30.1	-172.1	-66.2	-62.7	142.5	0	0	114.3	R85 N179 I187 P188	R85-E183 WeakPolarHBondContact CD-OE1 3.34Å; R85-E183 WeakPolarHBondContact CG-OE1 3.41Å; R85-E183 IonicContact NE-OE1 3.33Å; R85-E183 PolarHBondContact NE-OE1 2.85Å; R85-E183 IonicContact NE-OE2 2.88Å; N179-E183 PolarHBondContact O-N 2.78Å; N179-E183 VanDerWaalsContact O-N 3.09Å; E183-I187 WeakPolarHBondContact OE1-CD1 3.27Å; E183-P188 WeakPolarHBondContact O-CD 3.35Å; E183-P188 WeakPolarHBondContact O-CG 3.49Å
184	R	94.4	Very high	92.5	Very high	85 Å²	85	34.9 Å²	34.9	32%	0.321	18%	0.179	S	C	.	.	I	π-helix	trans	-91.2	-28.7	178.3	-61.3	162.4	63.1	171.6	-2.1	113.6	S180 V285 E292	S180-R184 WeakPolarHBondContact O-CB 3.31Å; S180-R184 PolarHBondContact O-N 2.81Å; R184-V285 HydrophobicContact CB-CG1 3.47Å; R184-V285 VanDerWaalsContact CB-CG1 3.47Å; R184-E292 IonicContact CZ-OE1 2.68Å; R184-E292 VanDerWaalsContact CZ-OE1 3.27Å; R184-E292 IonicContact NH1-OE1 3.87Å; R184-E292 PolarHBondContact NH1-OE1 3.28Å; R184-E292 IonicContact NH1-OE2 2.89Å; R184-E292 PolarHBondContact NH1-OE2 3.26Å; R184-E292 IonicContact NH2-OE1 2.8Å; R184-E292 PolarHBondContact NH2-OE1 3.47Å
185	A	93.9	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-119.1	-58.4	-168	0	0	0	0	0	113.6	L181 H189 I282 V285	L181-A185 CarbonylContact O-C 3.55Å; L181-A185 WeakPolarHBondContact O-CA 3.44Å; L181-A185 VanDerWaalsContact O-CB 3.26Å; L181-A185 WeakPolarHBondContact O-CB 3.24Å; L181-A185 PolarHBondContact O-N 2.91Å; A185-H189 PolarHBondContact O-CD2 2.85Å; A185-H189 VanDerWaalsContact O-CD2 3.25Å; A185-I282 HydrophobicContact CB-CG2 4.03Å; A185-V285 HydrophobicContact CB-CB 3.89Å; A185-V285 HydrophobicContact CB-CG1 3.72Å
186	L	95.1	Very high	92.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-79.3	-50.7	-167.6	-56	-160.8	0	0	0	112.7	L181 M182 H189 C190 L196 A223 W232 F236 I282	L181-L186 PolarHBondContact O-N 2.88Å; M182-L186 HydrophobicContact CE-CD1 3.58Å; M182-L186 PolarHBondContact O-N 3.23Å; M182-L186 HydrophobicContact SD-CB 4.44Å; M182-L186 HydrophobicContact SD-CD1 3.96Å; L186-H189 CarbonylContact O-C 3.54Å; L186-H189 PolarHBondContact O-N 3.46Å; L186-C190 WeakPolarHBondContact O-CB 3.29Å; L186-C190 PolarHBondContact O-N 3.24Å; L186-C190 VanDerWaalsContact O-N 3.14Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; L186-A223 HydrophobicContact CD1-CB 3.69Å; L186-W232 HydrophobicContact CB-CH2 3.88Å; L186-W232 HydrophobicContact CB-CZ2 4.47Å; L186-W232 HydrophobicContact CD1-CH2 4.41Å; L186-W232 HydrophobicContact CD2-CH2 3.71Å; L186-W232 HydrophobicContact CD2-CZ3 4.04Å; L186-W232 HydrophobicContact CG-CH2 4.18Å; L186-W232 WeakPolarHBondContact O-CZ2 3.48Å; L186-F236 HydrophobicContact CD1-CE2 4.24Å; L186-F236 HydrophobicContact CD2-CE2 4.31Å; L186-F236 HydrophobicContact CD2-CZ 4.24Å; L186-I282 HydrophobicContact CD2-CG2 3.67Å
187	I	94.5	Very high	92.9	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.036	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65	-45.4	-177.1	-68.6	173	0	0	0	112.2	R85 M182 E183 H189 C190 L196	R85-I187 HydrophobicContact CG-CD1 3.7Å; R85-I187 VanDerWaalsContact NH2-CG2 3.25Å; M182-I187 HydrophobicContact CB-CD1 4.04Å; M182-I187 WeakPolarHBondContact O-CB 3.46Å; M182-I187 WeakPolarHBondContact O-CG1 3.49Å; M182-I187 PolarHBondContact O-N 2.79Å; E183-I187 WeakPolarHBondContact OE1-CD1 3.27Å; I187-H189 PolarHBondContact O-N 3.46Å; I187-H189 VanDerWaalsContact O-N 3.14Å; I187-C190 PolarHBondContact O-N 2.92Å; I187-C190 VanDerWaalsContact O-N 3.07Å; I187-L196 HydrophobicContact CG1-CD2 3.99Å
188	P	93.3	Very high	93.1	Very high	75 Å²	75	33.1 Å²	33.1	49%	0.487	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-61.2	-21.6	176.8	-25	36	0	0	0	114.3	E183	E183-P188 WeakPolarHBondContact O-CD 3.35Å; E183-P188 WeakPolarHBondContact O-CG 3.49Å
189	H	92.3	Very high	93.3	Very high	45 Å²	45	33.2 Å²	33.2	21%	0.208	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-104.6	6.5	178.8	-64.7	-36.3	0	0	0	113.6	A185 L186 I187 W232 K278 K281 I282	A185-H189 PolarHBondContact O-CD2 2.85Å; A185-H189 VanDerWaalsContact O-CD2 3.25Å; L186-H189 CarbonylContact O-C 3.54Å; L186-H189 PolarHBondContact O-N 3.46Å; I187-H189 PolarHBondContact O-N 3.46Å; I187-H189 VanDerWaalsContact O-N 3.14Å; H189-W232 PolarHBondContact O-NE1 3.36Å; H189-K278 HydrophobicContact CB-CG 4.48Å; H189-K281 WeakPolarHBondContact NE2-CB 3.32Å; H189-I282 HydrophobicContact CB-CD1 4.08Å; H189-I282 HydrophobicContact CB-CG1 4.04Å
190	C	93.4	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	58.2	176.7	-159.7	0	0	0	0	114.9	L186 I187 D192 G193 L196 C225 W232	L186-C190 WeakPolarHBondContact O-CB 3.29Å; L186-C190 PolarHBondContact O-N 3.24Å; L186-C190 VanDerWaalsContact O-N 3.14Å; I187-C190 PolarHBondContact O-N 2.92Å; I187-C190 VanDerWaalsContact O-N 3.07Å; C190-D192 PolarHBondContact O-N 3.01Å; C190-G193 VanDerWaalsContact O-CA 3.27Å; C190-G193 WeakPolarHBondContact O-CA 3.4Å; C190-G193 PolarHBondContact O-N 2.96Å; C190-L196 HydrophobicContact CB-CB 4.2Å; C190-L196 HydrophobicContact CB-CD1 4.23Å; C190-C225 WeakPolarHBondContact CA-SG 3.34Å; C190-C225 HydrophobicContact CB-CB 3.85Å; C190-C225 WeakPolarHBondContact CB-SG 3.38Å; C190-C225 WeakPolarHBondContact SG-CA 3.19Å; C190-C225 WeakPolarHBondContact SG-CB 3.34Å; C190-C225 CovalentContact SG-SG 2.03Å; C190-C225 PolarHBondContact SG-SG 3.3Å; C190-W232 HydrophobicContact CB-CZ2 3.84Å
191	G	85.1	Confident	93.7	Very high	33 Å²	33	29.1 Å²	29.1	34%	0.34	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	59.9	46.5	163.5	0	0	0	0	0	114.4	G193 K194	G191-G193 PolarHBondContact O-N 3.45Å; G191-G193 VanDerWaalsContact O-N 3.14Å; G191-K194 WeakPolarHBondContact O-CD 3.2Å; G191-K194 PolarHBondContact O-N 3.12Å
192	D	85.8	Confident	93.8	Very high	102 Å²	102	29.3 Å²	29.3	55%	0.545	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	61	13.5	-172.4	-38.7	-48.2	0	0	0	114.7	R85 C190 K194	R85-D192 PolarHBondContact NH1-O 3.42Å; R85-D192 PolarHBondContact NH2-O 3.06Å; C190-D192 PolarHBondContact O-N 3.01Å; D192-K194 IonicContact OD2-NZ 3.86Å; D192-K194 PolarHBondContact OD2-NZ 3.1Å
193	G	88.8	Confident	93.8	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	94.7	-4.8	-179.1	0	0	0	0	0	115.1	A83 C190 G191 D195 L196	A83-G193 WeakPolarHBondContact CA-O 3.46Å; A83-G193 VanDerWaalsContact CB-O 3.27Å; A83-G193 WeakPolarHBondContact CB-O 3.14Å; C190-G193 VanDerWaalsContact O-CA 3.27Å; C190-G193 WeakPolarHBondContact O-CA 3.4Å; C190-G193 PolarHBondContact O-N 2.96Å; G191-G193 PolarHBondContact O-N 3.45Å; G191-G193 VanDerWaalsContact O-N 3.14Å; G193-D195 VanDerWaalsContact C-N 3.26Å; G193-D195 PolarHBondContact O-N 3.48Å; G193-L196 WeakPolarHBondContact O-CB 3.32Å; G193-L196 PolarHBondContact O-N 3.04Å; G193-L196 VanDerWaalsContact O-N 3.16Å
194	K	90.3	Very high	93.9	Very high	118 Å²	118	28.2 Å²	28.2	51%	0.513	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.4	-169.5	-66.6	161.1	-172.7	144.2	0	113.8	R82 G191 D192	R82-K194 PolarHBondContact NE-O 3.04Å; R82-K194 PolarHBondContact NH2-O 3.42Å; G191-K194 WeakPolarHBondContact O-CD 3.2Å; G191-K194 PolarHBondContact O-N 3.12Å; D192-K194 IonicContact OD2-NZ 3.86Å; D192-K194 PolarHBondContact OD2-NZ 3.1Å
195	D	93.1	Very high	94	Very high	48 Å²	48	24.9 Å²	24.9	26%	0.257	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	18.5	-175.8	-51.9	-54.2	0	0	0	111.6	R82 G193 Y197 D226 I227	R82-D195 IonicContact CZ-OD1 3.57Å; R82-D195 IonicContact NH2-OD1 3.23Å; R82-D195 PolarHBondContact NH2-OD1 3.18Å; G193-D195 VanDerWaalsContact C-N 3.26Å; G193-D195 PolarHBondContact O-N 3.48Å; D195-Y197 WeakPolarHBondContact O-CD2 3.13Å; D195-D226 HydrophobicContact CB-CB 4.35Å; D195-D226 PolarHBondContact O-N 3.18Å; D195-I227 HydrophobicContact CB-CG1 4.41Å
196	L	96.1	Very high	94	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.4	172.8	-173.9	64.8	0	0	0	109.7	R82 A83 M182 L186 I187 C190 G193 I198 A223 W232	R82-L196 WeakPolarHBondContact CA-O 3.45Å; A83-L196 PolarHBondContact N-O 3.07Å; M182-L196 HydrophobicContact SD-CD2 4.36Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; I187-L196 HydrophobicContact CG1-CD2 3.99Å; C190-L196 HydrophobicContact CB-CB 4.2Å; C190-L196 HydrophobicContact CB-CD1 4.23Å; G193-L196 WeakPolarHBondContact O-CB 3.32Å; G193-L196 PolarHBondContact O-N 3.04Å; G193-L196 VanDerWaalsContact O-N 3.16Å; L196-I198 HydrophobicContact CD2-CD1 4.09Å; L196-I198 HydrophobicContact CD2-CG1 4.32Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 4.05Å; L196-A223 HydrophobicContact CD1-CB 4.3Å; L196-W232 HydrophobicContact CD1-CH2 3.67Å; L196-W232 HydrophobicContact CD1-CZ2 4.19Å; L196-W232 HydrophobicContact CD1-CZ3 4.44Å
197	Y	97	Very high	94	Very high	13 Å²	13	39.3 Å²	39.3	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134	170.8	-60.2	-92.7	0	0	0	109	F38 Y39 R82 D195 A223 C224 D226	F38-Y197 VanDerWaalsContact C-CD1 3.41Å; F38-Y197 VanDerWaalsContact O-CE1 3.26Å; F38-Y197 WeakPolarHBondContact O-CE1 2.97Å; Y39-Y197 HydrophobicContact CD2-CD2 4.17Å; Y39-Y197 HydrophobicContact CD2-CE2 4.2Å; R82-Y197 HydrophobicContact CB-CD1 4.09Å; R82-Y197 HydrophobicContact CB-CE1 4.25Å; R82-Y197 HydrophobicContact CG-CD1 4.03Å; R82-Y197 HydrophobicContact CG-CE1 3.9Å; R82-Y197 PolarHBondContact NH1-OH 2.96Å; R82-Y197 VanDerWaalsContact NH1-OH 3.15Å; D195-Y197 WeakPolarHBondContact O-CD2 3.13Å; Y197-A223 WeakPolarHBondContact O-CA 3.07Å; Y197-C224 PolarHBondContact N-O 3.18Å; Y197-C224 PolarHBondContact O-N 2.95Å; Y197-D226 HydrophobicContact CD2-CB 4.18Å; Y197-D226 HydrophobicContact CE2-CB 3.62Å
198	I	97.4	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	-174.5	-59.7	169.5	0	0	0	108	A80 F81 Y145 M182 L196 L221 A222	A80-I198 CarbonylContact C-O 3.59Å; A80-I198 WeakPolarHBondContact CA-O 3.4Å; F81-I198 HydrophobicContact CB-CB 4.48Å; F81-I198 PolarHBondContact N-O 2.76Å; F81-I198 PolarHBondContact O-N 3.34Å; Y145-I198 HydrophobicContact CD2-CG2 4.16Å; Y145-I198 HydrophobicContact CE2-CD1 3.87Å; Y145-I198 HydrophobicContact CE2-CG2 4.14Å; M182-I198 HydrophobicContact CE-CD1 3.97Å; M182-I198 HydrophobicContact SD-CD1 3.59Å; M182-I198 VanDerWaalsContact SD-CD1 3.59Å; L196-I198 HydrophobicContact CD2-CD1 4.09Å; L196-I198 HydrophobicContact CD2-CG1 4.32Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 4.05Å; I198-L221 HydrophobicContact CG2-CD1 3.75Å; I198-L221 HydrophobicContact CG2-CD2 4.17Å; I198-L221 HydrophobicContact CG2-CG 3.89Å; I198-A222 WeakPolarHBondContact CA-O 3.16Å
199	I	97.8	Very high	94.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.5	171.2	-52.3	-176.9	0	0	0	107.1	F38 P44 F78 S79 A80 W220 L221 A222 L264 F265	F38-I199 HydrophobicContact CD1-CD1 4.18Å; P44-I199 HydrophobicContact CG-CD1 3.64Å; P44-I199 HydrophobicContact CG-CG2 4.43Å; F78-I199 HydrophobicContact CB-CG2 3.9Å; F78-I199 HydrophobicContact CD2-CG2 3.92Å; F78-I199 HydrophobicContact CG-CG2 4.02Å; S79-I199 WeakPolarHBondContact O-CA 3.45Å; A80-I199 HydrophobicContact CB-CG1 3.98Å; I199-W220 HydrophobicContact CB-CZ3 4.34Å; I199-W220 HydrophobicContact CG2-CH2 3.78Å; I199-W220 HydrophobicContact CG2-CZ3 3.9Å; I199-L221 CarbonylContact O-C 3.42Å; I199-L221 WeakPolarHBondContact O-CA 3.39Å; I199-A222 PolarHBondContact N-O 2.92Å; I199-A222 PolarHBondContact O-N 2.9Å; I199-L264 WeakPolarHBondContact CD1-O 3.21Å; I199-F265 HydrophobicContact CD1-CD1 4.09Å; I199-F265 HydrophobicContact CD1-CE1 3.61Å; I199-F265 HydrophobicContact CD1-CZ 4.33Å; I199-F265 HydrophobicContact CG1-CE1 3.85Å; I199-F265 HydrophobicContact CG1-CZ 4.28Å
200	T	97.8	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.7	175.1	-176.9	0	0	0	0	110	F78 S79 F81 L144 W220	F78-T200 CarbonylContact C-O 3.46Å; F78-T200 WeakPolarHBondContact CA-O 3.15Å; F78-T200 VanDerWaalsContact CB-O 3.27Å; F78-T200 WeakPolarHBondContact CB-O 3.42Å; S79-T200 PolarHBondContact N-O 3.04Å; S79-T200 PolarHBondContact O-N 3.35Å; F81-T200 HydrophobicContact CE2-CG2 4.02Å; L144-T200 HydrophobicContact CB-CG2 3.63Å; L144-T200 HydrophobicContact CD1-CG2 4.47Å; T200-W220 CarbonylContact C-O 3.57Å; T200-W220 VanDerWaalsContact CA-O 3.23Å; T200-W220 WeakPolarHBondContact CA-O 3.47Å; T200-W220 WeakPolarHBondContact CB-O 3.46Å; T200-W220 PolarHBondContact OG1-O 3.24Å
201	G	97.7	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	179.2	-178.1	0	0	0	0	0	113.4	V77 V219 W220	V77-G201 WeakPolarHBondContact O-CA 3.49Å; G201-V219 WeakPolarHBondContact O-CA 3.39Å; G201-W220 VanDerWaalsContact C-CD1 3.45Å; G201-W220 VanDerWaalsContact C-NE1 3.27Å; G201-W220 VanDerWaalsContact CA-CE2 3.41Å; G201-W220 PolarHBondContact N-O 2.93Å; G201-W220 PolarHBondContact O-N 3.48Å
202	A	97.1	Very high	94.9	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.3	175.3	0	0	0	0	0	110	I75 V77 L144 V164 P216	I75-A202 HydrophobicContact CD1-CB 4.39Å; V77-A202 PolarHBondContact O-N 3.04Å; L144-A202 HydrophobicContact CD2-CB 4.17Å; V164-A202 HydrophobicContact CG1-CB 3.95Å; A202-P216 HydrophobicContact CB-CB 3.94Å
203	V	96.2	Very high	95.5	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.6	163.6	175.8	0	0	0	0	108	P216 E217 F218 L258 P259	V203-P216 CarbonylContact O-C 3.49Å; V203-P216 VanDerWaalsContact O-CA 3.3Å; V203-P216 WeakPolarHBondContact O-CA 3.15Å; V203-E217 PolarHBondContact O-N 3.42Å; V203-F218 HydrophobicContact CB-CD1 3.99Å; V203-F218 HydrophobicContact CB-CE1 3.74Å; V203-F218 HydrophobicContact CB-CE2 4.4Å; V203-F218 HydrophobicContact CB-CG 4.44Å; V203-F218 HydrophobicContact CB-CZ 3.98Å; V203-F218 HydrophobicContact CG1-CD1 4.48Å; V203-F218 HydrophobicContact CG1-CE1 4.02Å; V203-F218 HydrophobicContact CG2-CD1 4.29Å; V203-F218 HydrophobicContact CG2-CD2 4.3Å; V203-F218 HydrophobicContact CG2-CE1 3.68Å; V203-F218 HydrophobicContact CG2-CE2 3.7Å; V203-F218 HydrophobicContact CG2-CZ 3.36Å; V203-F218 PolarHBondContact N-O 2.84Å; V203-L258 HydrophobicContact CG2-CD2 3.81Å; V203-P259 HydrophobicContact CG1-CG 4.02Å; V203-P259 HydrophobicContact CG2-CG 4.22Å
204	P	95.9	Very high	95.9	Very high	44 Å²	44	43.4 Å²	43.4	29%	0.286	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140.1	-178.1	26.6	-33.2	0	0	0	111.8	I75 T214	I75-P204 HydrophobicContact CD1-CB 4.34Å; P204-T214 HydrophobicContact CB-CG2 3.55Å
205	S	95.4	Very high	96.2	Very high	14 Å²	14	38.3 Å²	38.3	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	174	166	77.6	0	0	0	0	111.9	Y207 T214 I215	S205-Y207 PolarHBondContact O-N 3.43Å; S205-Y207 PolarHBondContact OG-N 3.49Å; S205-T214 WeakPolarHBondContact O-CG2 3.24Å; S205-I215 WeakPolarHBondContact CB-O 3.39Å; S205-I215 PolarHBondContact N-O 2.89Å; S205-I215 VanDerWaalsContact N-O 3.08Å; S205-I215 PolarHBondContact OG-O 2.9Å
206	D	94.8	Very high	96.4	Very high	161 Å²	161	36 Å²	36	86%	0.861	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-16.4	173	-66.3	-47.2	0	0	0	113.7
207	Y	95.1	Very high	96.3	Very high	142 Å²	142	40.3 Å²	40.3	56%	0.557	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.3	-174.4	-57.6	-78.3	0	0	0	112.3	S205 T214 I215	S205-Y207 PolarHBondContact O-N 3.43Å; S205-Y207 PolarHBondContact OG-N 3.49Å; Y207-T214 WeakPolarHBondContact O-CA 2.91Å; Y207-I215 PolarHBondContact O-N 2.9Å
208	R	96.9	Very high	96.2	Very high	96 Å²	96	40.4 Å²	40.4	36%	0.362	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.4	179.9	-66.2	-176.6	178.6	-116.4	2.6	113.3	D72 K210 G211 K212 V213	D72-R208 VanDerWaalsContact O-CZ 3.26Å; D72-R208 PolarHBondContact O-NH1 3.26Å; D72-R208 PolarHBondContact O-NH2 3.35Å; R208-K210 PolarHBondContact O-N 3.46Å; R208-G211 WeakPolarHBondContact CD-O 3.35Å; R208-G211 PolarHBondContact O-N 2.86Å; R208-K212 PolarHBondContact NH1-O 2.8Å; R208-V213 CarbonylContact C-O 3.44Å; R208-V213 WeakPolarHBondContact CA-O 3.22Å
209	V	96.3	Very high	96.2	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	122.3	168.6	-174.8	0	0	0	0	108.9	D133 Y139 P165 G211 K212 V213 I215	D133-V209 WeakPolarHBondContact O-CG1 3.47Å; Y139-V209 HydrophobicContact CD2-CG2 3.85Å; Y139-V209 HydrophobicContact CG-CG2 3.91Å; P165-V209 HydrophobicContact CB-CG2 3.65Å; P165-V209 HydrophobicContact CG-CG2 3.69Å; V209-G211 PolarHBondContact O-N 3.15Å; V209-K212 PolarHBondContact O-N 2.97Å; V209-V213 PolarHBondContact N-O 2.86Å; V209-V213 PolarHBondContact O-N 3.42Å; V209-I215 HydrophobicContact CG2-CD1 4.03Å; V209-I215 HydrophobicContact CG2-CG1 3.71Å
210	K	94.3	Very high	96.2	Very high	110 Å²	110	40.5 Å²	40.5	48%	0.478	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	26.6	-174.5	-57.6	-176.4	-170.3	177.6	0	114.4	A132 D133 L135 R208 K212	A132-K210 PolarHBondContact O-NZ 3.42Å; D133-K210 VanDerWaalsContact O-CD 3.25Å; D133-K210 WeakPolarHBondContact O-CD 3.24Å; D133-K210 WeakPolarHBondContact O-CE 3.49Å; L135-K210 WeakPolarHBondContact O-CE 3.34Å; L135-K210 PolarHBondContact O-NZ 3.18Å; R208-K210 PolarHBondContact O-N 3.46Å; K210-K212 PolarHBondContact O-N 3.08Å
211	G	94.8	Very high	96.2	Very high	58 Å²	58	40.5 Å²	40.5	60%	0.598	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	1.1	-174	0	0	0	0	0	115.2	R208 V209	R208-G211 WeakPolarHBondContact CD-O 3.35Å; R208-G211 PolarHBondContact O-N 2.86Å; V209-G211 PolarHBondContact O-N 3.15Å
212	K	95	Very high	96.2	Very high	78 Å²	78	40.5 Å²	40.5	34%	0.339	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-70.2	-176.7	-70.5	-179.5	174.4	-169.3	0	112.7	D133 R208 V209 K210	D133-K212 HydrophobicContact CB-CD 4.36Å; D133-K212 WeakPolarHBondContact OD1-CD 3.26Å; D133-K212 WeakPolarHBondContact OD1-CE 3.4Å; D133-K212 IonicContact OD1-NZ 2.64Å; D133-K212 PolarHBondContact OD1-NZ 2.99Å; D133-K212 WeakPolarHBondContact OD2-CD 3.49Å; D133-K212 IonicContact OD2-NZ 3.88Å; R208-K212 PolarHBondContact NH1-O 2.8Å; V209-K212 PolarHBondContact O-N 2.97Å; K210-K212 PolarHBondContact O-N 3.08Å
213	V	97.4	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.8	-168.9	-170	0	0	0	0	109.9	R74 I75 A129 D133 P165 R208 V209	R74-V213 HydrophobicContact CB-CG1 4.27Å; R74-V213 HydrophobicContact CB-CG2 4.36Å; I75-V213 HydrophobicContact CG2-CG1 3.82Å; A129-V213 HydrophobicContact CB-CG1 4.2Å; A129-V213 HydrophobicContact CB-CG2 3.56Å; D133-V213 HydrophobicContact CB-CG2 4.03Å; P165-V213 HydrophobicContact CG-CB 4.21Å; P165-V213 HydrophobicContact CG-CG1 3.69Å; R208-V213 CarbonylContact C-O 3.44Å; R208-V213 WeakPolarHBondContact CA-O 3.22Å; V209-V213 PolarHBondContact N-O 2.86Å; V209-V213 PolarHBondContact O-N 3.42Å
214	T	97.9	Very high	96.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.9	-179.5	-72.8	0	0	0	0	112	H73 I75 P165 P204 S205 Y207	H73-T214 PolarHBondContact ND1-OG1 2.82Å; H73-T214 WeakPolarHBondContact O-CB 3.4Å; H73-T214 PolarHBondContact O-N 2.76Å; I75-T214 HydrophobicContact CD1-CG2 4.19Å; P165-T214 WeakPolarHBondContact CD-O 3.29Å; P165-T214 WeakPolarHBondContact CG-O 3.49Å; P204-T214 HydrophobicContact CB-CG2 3.55Å; S205-T214 WeakPolarHBondContact O-CG2 3.24Å; Y207-T214 WeakPolarHBondContact O-CA 2.91Å
215	I	96.9	Very high	96.1	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.7	171.1	-62.2	156.8	0	0	0	107.5	Y139 P165 S205 Y207 V209	Y139-I215 HydrophobicContact CD1-CG1 4.49Å; Y139-I215 HydrophobicContact CD2-CD1 4.42Å; Y139-I215 HydrophobicContact CE1-CD1 4.17Å; Y139-I215 HydrophobicContact CE1-CG1 4.11Å; Y139-I215 HydrophobicContact CE1-CG2 3.85Å; Y139-I215 HydrophobicContact CE2-CD1 3.75Å; Y139-I215 HydrophobicContact CE2-CG1 4.41Å; P165-I215 HydrophobicContact CB-CG1 3.97Å; P165-I215 HydrophobicContact CG-CG1 4.29Å; S205-I215 WeakPolarHBondContact CB-O 3.39Å; S205-I215 PolarHBondContact N-O 2.89Å; S205-I215 VanDerWaalsContact N-O 3.08Å; S205-I215 PolarHBondContact OG-O 2.9Å; Y207-I215 PolarHBondContact O-N 2.9Å; V209-I215 HydrophobicContact CG2-CD1 4.03Å; V209-I215 HydrophobicContact CG2-CG1 3.71Å
216	P	96.8	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.5	176.8	26.4	-32.7	0	0	0	112	V164 P165 A202 V203 V219 T240	V164-P216 HydrophobicContact CB-CG 4.05Å; V164-P216 HydrophobicContact CG2-CG 3.92Å; P165-P216 WeakPolarHBondContact O-CD 3.16Å; A202-P216 HydrophobicContact CB-CB 3.94Å; V203-P216 CarbonylContact O-C 3.49Å; V203-P216 VanDerWaalsContact O-CA 3.3Å; V203-P216 WeakPolarHBondContact O-CA 3.15Å; P216-V219 HydrophobicContact CB-CG1 4.38Å; P216-V219 HydrophobicContact CG-CG1 4.32Å; P216-T240 HydrophobicContact CB-CG2 4.33Å; P216-T240 HydrophobicContact CG-CG2 3.98Å; P216-T240 WeakPolarHBondContact O-CG2 3.31Å; P216-T240 PolarHBondContact O-OG1 3.47Å
217	E	94.8	Very high	95.7	Very high	92 Å²	92	34.2 Å²	34.2	43%	0.43	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-46.5	168.2	-173.9	-176.4	162.2	0	0	110.5	V203 T240	V203-E217 PolarHBondContact O-N 3.42Å; E217-T240 PolarHBondContact O-N 3.4Å; E217-T240 PolarHBondContact O-OG1 3.43Å; E217-T240 VanDerWaalsContact O-OG1 3.06Å
218	F	94.9	Very high	95	Very high	15 Å²	15	33.4 Å²	33.4	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.6	169.5	65.5	-89.6	0	0	0	111.1	V203 W220 T237 K238 H239 L258	V203-F218 HydrophobicContact CB-CD1 3.99Å; V203-F218 HydrophobicContact CB-CE1 3.74Å; V203-F218 HydrophobicContact CB-CE2 4.4Å; V203-F218 HydrophobicContact CB-CG 4.44Å; V203-F218 HydrophobicContact CB-CZ 3.98Å; V203-F218 HydrophobicContact CG1-CD1 4.48Å; V203-F218 HydrophobicContact CG1-CE1 4.02Å; V203-F218 HydrophobicContact CG2-CD1 4.29Å; V203-F218 HydrophobicContact CG2-CD2 4.3Å; V203-F218 HydrophobicContact CG2-CE1 3.68Å; V203-F218 HydrophobicContact CG2-CE2 3.7Å; V203-F218 HydrophobicContact CG2-CZ 3.36Å; V203-F218 PolarHBondContact N-O 2.84Å; F218-W220 HydrophobicContact CD2-CB 4.49Å; F218-W220 HydrophobicContact CE2-CB 4.48Å; F218-T237 HydrophobicContact CD2-CG2 4.3Å; F218-T237 HydrophobicContact CE2-CG2 4.18Å; F218-K238 WeakPolarHBondContact CA-O 3.4Å; F218-K238 WeakPolarHBondContact CB-O 3.41Å; F218-H239 HydrophobicContact CB-CB 4.48Å; F218-H239 AromaticContact CD1-CE1 3.83Å; F218-L258 HydrophobicContact CE2-CD2 4.12Å; F218-L258 HydrophobicContact CZ-CD2 4.33Å
219	V	97.1	Very high	93.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.3	167.1	-58.7	0	0	0	0	109.6	L144 V164 M166 F170 W174 G201 P216 K238	L144-V219 HydrophobicContact CD2-CB 4.23Å; L144-V219 HydrophobicContact CD2-CG1 3.75Å; V164-V219 HydrophobicContact CG2-CG1 4.36Å; M166-V219 HydrophobicContact CE-CG1 4.37Å; F170-V219 HydrophobicContact CE1-CG2 4.12Å; F170-V219 HydrophobicContact CZ-CG2 3.83Å; W174-V219 HydrophobicContact CD2-CG2 3.92Å; W174-V219 HydrophobicContact CE3-CG2 3.86Å; W174-V219 HydrophobicContact CH2-CG2 3.77Å; W174-V219 HydrophobicContact CZ2-CB 4.43Å; W174-V219 HydrophobicContact CZ2-CG2 3.82Å; W174-V219 HydrophobicContact CZ3-CG2 3.78Å; G201-V219 WeakPolarHBondContact O-CA 3.39Å; P216-V219 HydrophobicContact CB-CG1 4.38Å; P216-V219 HydrophobicContact CG-CG1 4.32Å; V219-K238 HydrophobicContact CG2-CB 4.21Å; V219-K238 PolarHBondContact N-O 3.2Å; V219-K238 PolarHBondContact O-N 3.16Å
220	W	97.5	Very high	93.1	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.7	-178.2	58.9	-90.2	0	0	0	112.1	L47 F78 I199 T200 G201 F218 A222 F236 T237 L254 L258 L264	L47-W220 HydrophobicContact CD1-CH2 4.23Å; L47-W220 HydrophobicContact CD1-CZ2 4.13Å; F78-W220 HydrophobicContact CB-CH2 4.05Å; F78-W220 HydrophobicContact CB-CZ2 4.11Å; I199-W220 HydrophobicContact CB-CZ3 4.34Å; I199-W220 HydrophobicContact CG2-CH2 3.78Å; I199-W220 HydrophobicContact CG2-CZ3 3.9Å; T200-W220 CarbonylContact C-O 3.57Å; T200-W220 VanDerWaalsContact CA-O 3.23Å; T200-W220 WeakPolarHBondContact CA-O 3.47Å; T200-W220 WeakPolarHBondContact CB-O 3.46Å; T200-W220 PolarHBondContact OG1-O 3.24Å; G201-W220 VanDerWaalsContact C-CD1 3.45Å; G201-W220 VanDerWaalsContact C-NE1 3.27Å; G201-W220 VanDerWaalsContact CA-CE2 3.41Å; G201-W220 PolarHBondContact N-O 2.93Å; G201-W220 PolarHBondContact O-N 3.48Å; F218-W220 HydrophobicContact CD2-CB 4.49Å; F218-W220 HydrophobicContact CE2-CB 4.48Å; W220-A222 HydrophobicContact CZ3-CB 4.25Å; W220-F236 CarbonylContact C-O 3.55Å; W220-F236 WeakPolarHBondContact CA-O 3.47Å; W220-F236 WeakPolarHBondContact CB-O 3.42Å; W220-T237 HydrophobicContact CB-CG2 4.22Å; W220-L254 HydrophobicContact CB-CD1 3.91Å; W220-L254 HydrophobicContact CE3-CD2 4.02Å; W220-L254 HydrophobicContact CG-CD1 4.28Å; W220-L258 VanDerWaalsContact CD1-CD2 3.48Å; W220-L258 HydrophobicContact CD2-CD1 4.09Å; W220-L258 HydrophobicContact CD2-CD2 4.03Å; W220-L258 HydrophobicContact CE3-CD1 4.34Å; W220-L258 HydrophobicContact CG-CD2 3.88Å; W220-L258 HydrophobicContact CH2-CD1 4.08Å; W220-L258 HydrophobicContact CZ2-CD1 3.8Å; W220-L258 HydrophobicContact CZ2-CD2 4.41Å; W220-L258 HydrophobicContact CZ3-CD1 4.34Å; W220-L264 HydrophobicContact CH2-CD2 3.65Å; W220-L264 HydrophobicContact CZ3-CD1 4.11Å; W220-L264 HydrophobicContact CZ3-CD2 3.94Å
221	L	97.7	Very high	92.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.3	173.2	-174.4	150.7	0	0	0	109.7	Y145 W174 L178 M182 I198 I199 A223 G235 F236	Y145-L221 HydrophobicContact CD2-CD1 4.07Å; Y145-L221 HydrophobicContact CE2-CD1 4.44Å; W174-L221 HydrophobicContact CH2-CB 4.38Å; L178-L221 HydrophobicContact CD2-CD1 3.52Å; M182-L221 HydrophobicContact CE-CD1 3.65Å; M182-L221 HydrophobicContact CE-CD2 3.96Å; I198-L221 HydrophobicContact CG2-CD1 3.75Å; I198-L221 HydrophobicContact CG2-CD2 4.17Å; I198-L221 HydrophobicContact CG2-CG 3.89Å; I199-L221 CarbonylContact O-C 3.42Å; I199-L221 WeakPolarHBondContact O-CA 3.39Å; L221-A223 HydrophobicContact CD2-CB 4.12Å; L221-G235 CarbonylContact O-C 3.58Å; L221-G235 WeakPolarHBondContact O-CA 3.4Å; L221-F236 HydrophobicContact CD2-CD2 3.92Å; L221-F236 HydrophobicContact CD2-CE2 4.44Å; L221-F236 PolarHBondContact N-O 2.81Å; L221-F236 PolarHBondContact O-N 2.94Å
222	A	97.6	Very high	92.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.9	167.5	0	0	0	0	0	109.4	I198 I199 W220 M234 L254 L264 F265	I198-A222 WeakPolarHBondContact CA-O 3.16Å; I199-A222 PolarHBondContact N-O 2.92Å; I199-A222 PolarHBondContact O-N 2.9Å; W220-A222 HydrophobicContact CZ3-CB 4.25Å; A222-M234 CarbonylContact C-O 3.57Å; A222-M234 WeakPolarHBondContact CA-O 3.38Å; A222-L254 HydrophobicContact CB-CD2 3.91Å; A222-L264 HydrophobicContact CB-CD1 3.92Å; A222-F265 HydrophobicContact CB-CE2 3.76Å; A222-F265 HydrophobicContact CB-CZ 3.93Å
223	A	96.8	Very high	92.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.2	177.5	0	0	0	0	0	110.4	L186 L196 Y197 L221 W232 A233 M234	L186-A223 HydrophobicContact CD1-CB 3.69Å; L196-A223 HydrophobicContact CD1-CB 4.3Å; Y197-A223 WeakPolarHBondContact O-CA 3.07Å; L221-A223 HydrophobicContact CD2-CB 4.12Å; A223-W232 HydrophobicContact CB-CZ3 4.08Å; A223-A233 CarbonylContact O-C 3.39Å; A223-A233 WeakPolarHBondContact O-CA 3.39Å; A223-A233 VanDerWaalsContact O-CB 3.28Å; A223-A233 WeakPolarHBondContact O-CB 3.36Å; A223-M234 PolarHBondContact N-O 3.27Å; A223-M234 PolarHBondContact O-N 3.19Å
224	C	95.8	Very high	92.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.5	177.1	160.9	0	0	0	0	109.6	Y39 Y197 A233 F265 C269	Y39-C224 WeakPolarHBondContact CD2-SG 3.38Å; Y39-C224 VanDerWaalsContact CG-SG 3.57Å; Y197-C224 PolarHBondContact N-O 3.18Å; Y197-C224 PolarHBondContact O-N 2.95Å; C224-A233 HydrophobicContact CB-CB 4.41Å; C224-F265 HydrophobicContact CB-CD1 3.82Å; C224-F265 HydrophobicContact CB-CD2 3.75Å; C224-F265 HydrophobicContact CB-CE1 3.62Å; C224-F265 HydrophobicContact CB-CE2 3.55Å; C224-F265 HydrophobicContact CB-CG 3.89Å; C224-F265 HydrophobicContact CB-CZ 3.49Å; C224-F265 VanDerWaalsContact CB-CZ 3.49Å; C224-C269 WeakPolarHBondContact CA-SG 3.07Å; C224-C269 HydrophobicContact CB-CB 3.68Å; C224-C269 WeakPolarHBondContact CB-SG 3.42Å; C224-C269 WeakPolarHBondContact SG-CB 3.27Å; C224-C269 CovalentContact SG-SG 2.03Å; C224-C269 PolarHBondContact SG-SG 3.15Å
225	C	95.1	Very high	92.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.6	178.1	-175.5	0	0	0	0	111.6	C190 I227 G231 W232 C269	C190-C225 WeakPolarHBondContact CA-SG 3.34Å; C190-C225 HydrophobicContact CB-CB 3.85Å; C190-C225 WeakPolarHBondContact CB-SG 3.38Å; C190-C225 WeakPolarHBondContact SG-CA 3.19Å; C190-C225 WeakPolarHBondContact SG-CB 3.34Å; C190-C225 CovalentContact SG-SG 2.03Å; C190-C225 PolarHBondContact SG-SG 3.3Å; C225-I227 PolarHBondContact O-N 2.84Å; C225-G231 WeakPolarHBondContact O-CA 3.17Å; C225-W232 HydrophobicContact CB-CD2 3.75Å; C225-W232 VanDerWaalsContact CB-CE2 3.43Å; C225-W232 HydrophobicContact CB-CE3 4.37Å; C225-W232 HydrophobicContact CB-CG 4.03Å; C225-W232 HydrophobicContact CB-CH2 4.39Å; C225-W232 HydrophobicContact CB-CZ2 3.83Å; C225-W232 PolarHBondContact N-O 2.9Å; C225-W232 PolarHBondContact O-N 2.72Å; C225-C269 PolarHBondContact N-SG 3.23Å; C225-C269 VanDerWaalsContact N-SG 3.36Å
226	D	92.1	Very high	92.7	Very high	60 Å²	60	21 Å²	21	32%	0.321	14%	0.136	S	C	.	.			trans	-92.5	60.5	-175.4	-169.4	22.3	0	0	0	112.3	Y39 D195 Y197	Y39-D226 HydrophobicContact CD2-CB 4.05Å; Y39-D226 HydrophobicContact CE2-CB 3.83Å; Y39-D226 WeakPolarHBondContact CE2-OD1 3.46Å; D195-D226 HydrophobicContact CB-CB 4.35Å; D195-D226 PolarHBondContact O-N 3.18Å; Y197-D226 HydrophobicContact CD2-CB 4.18Å; Y197-D226 HydrophobicContact CE2-CB 3.62Å
227	I	88.2	Confident	92.6	Very high	43 Å²	43	21.3 Å²	21.3	22%	0.221	14%	0.138	C	C	.	.			trans	-104	119.3	176.4	-67.9	178.8	0	0	0	109.7	D195 C225 G229 G230 G231	D195-I227 HydrophobicContact CB-CG1 4.41Å; C225-I227 PolarHBondContact O-N 2.84Å; I227-G229 PolarHBondContact O-N 2.71Å; I227-G230 CarbonylContact O-C 3.54Å; I227-G230 PolarHBondContact O-N 3.22Å; I227-G231 PolarHBondContact O-N 2.67Å
228	P	80.6	Confident	92.6	Very high	126 Å²	126	16.9 Å²	16.9	82%	0.818	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	121.7	179.3	-29.4	36	0	0	0	113	G230	P228-G230 PolarHBondContact O-N 2.96Å
229	G	74.6	Confident	92.5	Very high	75 Å²	75	19.1 Å²	19.1	77%	0.773	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	15.3	-178.7	0	0	0	0	0	115.2	I227	I227-G229 PolarHBondContact O-N 2.71Å
230	G	80.3	Confident	91.9	Very high	5 Å²	5	20.2 Å²	20.2	5%	0.052	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.7	21.8	-178	0	0	0	0	0	114.4	I227 P228 K278	I227-G230 CarbonylContact O-C 3.54Å; I227-G230 PolarHBondContact O-N 3.22Å; P228-G230 PolarHBondContact O-N 2.96Å; G230-K278 PolarHBondContact O-NZ 2.91Å
231	G	89.4	Confident	90.7	Very high	9 Å²	9	25.9 Å²	25.9	9%	0.093	16%	0.161	C	C	.	.			trans	-75.5	171.8	177.9	0	0	0	0	0	112.9	C225 I227 Q274 D275	C225-G231 WeakPolarHBondContact O-CA 3.17Å; I227-G231 PolarHBondContact O-N 2.67Å; G231-Q274 CarbonylContact O-C 3.56Å; G231-Q274 VanDerWaalsContact O-CA 3.29Å; G231-Q274 WeakPolarHBondContact O-CA 3.41Å; G231-D275 PolarHBondContact O-N 2.96Å
232	W	93.6	Very high	88.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	161.1	178	51.8	-96.7	0	0	0	109.8	L186 H189 C190 L196 A223 C225 M234 C269 M279 I282	L186-W232 HydrophobicContact CB-CH2 3.88Å; L186-W232 HydrophobicContact CB-CZ2 4.47Å; L186-W232 HydrophobicContact CD1-CH2 4.41Å; L186-W232 HydrophobicContact CD2-CH2 3.71Å; L186-W232 HydrophobicContact CD2-CZ3 4.04Å; L186-W232 HydrophobicContact CG-CH2 4.18Å; L186-W232 WeakPolarHBondContact O-CZ2 3.48Å; H189-W232 PolarHBondContact O-NE1 3.36Å; C190-W232 HydrophobicContact CB-CZ2 3.84Å; L196-W232 HydrophobicContact CD1-CH2 3.67Å; L196-W232 HydrophobicContact CD1-CZ2 4.19Å; L196-W232 HydrophobicContact CD1-CZ3 4.44Å; A223-W232 HydrophobicContact CB-CZ3 4.08Å; C225-W232 HydrophobicContact CB-CD2 3.75Å; C225-W232 VanDerWaalsContact CB-CE2 3.43Å; C225-W232 HydrophobicContact CB-CE3 4.37Å; C225-W232 HydrophobicContact CB-CG 4.03Å; C225-W232 HydrophobicContact CB-CH2 4.39Å; C225-W232 HydrophobicContact CB-CZ2 3.83Å; C225-W232 PolarHBondContact N-O 2.9Å; C225-W232 PolarHBondContact O-N 2.72Å; W232-M234 HydrophobicContact CE3-CG 4.43Å; W232-C269 PolarHBondContact O-SG 3.42Å; W232-M279 HydrophobicContact CB-CG 3.66Å; W232-M279 HydrophobicContact CB-SD 4.2Å; W232-M279 HydrophobicContact CG-CG 4.49Å; W232-I282 HydrophobicContact CD2-CD1 3.56Å; W232-I282 VanDerWaalsContact CE2-CD1 3.46Å; W232-I282 HydrophobicContact CE3-CD1 3.85Å; W232-I282 HydrophobicContact CG-CD1 4.13Å; W232-I282 HydrophobicContact CH2-CD1 4.02Å; W232-I282 HydrophobicContact CZ2-CD1 3.69Å; W232-I282 HydrophobicContact CZ3-CD1 4.09Å
233	A	95.1	Very high	87.2	Confident	3 Å²	3	35 Å²	35	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.1	168.4	0	0	0	0	0	113.3	A223 C224 V251 F265 C269 M279	A223-A233 CarbonylContact O-C 3.39Å; A223-A233 WeakPolarHBondContact O-CA 3.39Å; A223-A233 VanDerWaalsContact O-CB 3.28Å; A223-A233 WeakPolarHBondContact O-CB 3.36Å; C224-A233 HydrophobicContact CB-CB 4.41Å; A233-V251 HydrophobicContact CB-CG2 3.76Å; A233-F265 HydrophobicContact CB-CD2 4.47Å; A233-C269 HydrophobicContact CB-CB 3.66Å; A233-M279 WeakPolarHBondContact O-CE 3.41Å
234	M	94.9	Very high	85.8	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.1	179.6	-69.2	-168.4	175.3	0	0	111.7	A222 A223 W232 F236 M279 I282 L283	A222-M234 CarbonylContact C-O 3.57Å; A222-M234 WeakPolarHBondContact CA-O 3.38Å; A223-M234 PolarHBondContact N-O 3.27Å; A223-M234 PolarHBondContact O-N 3.19Å; W232-M234 HydrophobicContact CE3-CG 4.43Å; M234-F236 HydrophobicContact CB-CE2 4.08Å; M234-F236 HydrophobicContact CB-CZ 4.14Å; M234-F236 HydrophobicContact SD-CZ 4.34Å; M234-M279 HydrophobicContact CE-CB 3.67Å; M234-M279 HydrophobicContact CE-CE 4.2Å; M234-M279 HydrophobicContact CE-CG 3.96Å; M234-M279 WeakPolarHBondContact CE-O 3.27Å; M234-I282 HydrophobicContact CE-CB 3.86Å; M234-I282 HydrophobicContact CE-CD1 4.3Å; M234-I282 HydrophobicContact CE-CG2 3.89Å; M234-I282 HydrophobicContact SD-CB 4.04Å; M234-I282 HydrophobicContact SD-CG2 3.36Å; M234-I282 WeakPolarHBondContact SD-CG2 3.47Å; M234-L283 HydrophobicContact CE-CD1 4.49Å; M234-L283 HydrophobicContact CE-CD2 4.13Å; M234-L283 HydrophobicContact CE-CG 3.86Å; M234-L283 HydrophobicContact SD-CD2 4.38Å
235	G	96.3	Very high	85.3	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154	168.8	0	0	0	0	0	111.5	L221 V249	L221-G235 CarbonylContact O-C 3.58Å; L221-G235 WeakPolarHBondContact O-CA 3.4Å; G235-V249 CarbonylContact C-O 3.6Å; G235-V249 WeakPolarHBondContact CA-O 3.33Å; G235-V249 PolarHBondContact N-O 3.47Å; G235-V249 PolarHBondContact O-N 3.36Å
236	F	96.8	Very high	85.1	Confident	1 Å²	1	37 Å²	37	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.4	175	-57.4	-80.4	0	0	0	109.4	L181 L186 W220 L221 M234 I246 D247 D248 V286	L181-F236 HydrophobicContact CD1-CD1 3.87Å; L181-F236 HydrophobicContact CD1-CD2 4.23Å; L181-F236 HydrophobicContact CD1-CE1 3.97Å; L181-F236 HydrophobicContact CD1-CE2 4.32Å; L181-F236 HydrophobicContact CD1-CG 4Å; L181-F236 HydrophobicContact CD1-CZ 4.19Å; L181-F236 HydrophobicContact CD2-CE1 4.2Å; L181-F236 HydrophobicContact CD2-CZ 4.43Å; L186-F236 HydrophobicContact CD1-CE2 4.24Å; L186-F236 HydrophobicContact CD2-CE2 4.31Å; L186-F236 HydrophobicContact CD2-CZ 4.24Å; W220-F236 CarbonylContact C-O 3.55Å; W220-F236 WeakPolarHBondContact CA-O 3.47Å; W220-F236 WeakPolarHBondContact CB-O 3.42Å; L221-F236 HydrophobicContact CD2-CD2 3.92Å; L221-F236 HydrophobicContact CD2-CE2 4.44Å; L221-F236 PolarHBondContact N-O 2.81Å; L221-F236 PolarHBondContact O-N 2.94Å; M234-F236 HydrophobicContact CB-CE2 4.08Å; M234-F236 HydrophobicContact CB-CZ 4.14Å; M234-F236 HydrophobicContact SD-CZ 4.34Å; F236-I246 HydrophobicContact CB-CD1 4.16Å; F236-I246 HydrophobicContact CB-CG1 4.1Å; F236-I246 HydrophobicContact CD1-CG1 4.5Å; F236-D247 CarbonylContact C-O 3.52Å; F236-D247 VanDerWaalsContact CA-O 3.26Å; F236-D247 WeakPolarHBondContact CA-O 3.37Å; F236-D248 HydrophobicContact CD1-CB 4.04Å; F236-D248 HydrophobicContact CE1-CB 3.98Å; F236-V286 HydrophobicContact CE1-CG1 4.22Å; F236-V286 HydrophobicContact CE1-CG2 3.73Å; F236-V286 HydrophobicContact CZ-CG2 4.12Å
237	T	95.7	Very high	85.1	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.1	179	45.2	0	0	0	0	111.1	F218 W220 D247 L254 L257	F218-T237 HydrophobicContact CD2-CG2 4.3Å; F218-T237 HydrophobicContact CE2-CG2 4.18Å; W220-T237 HydrophobicContact CB-CG2 4.22Å; T237-D247 PolarHBondContact N-O 2.99Å; T237-D247 PolarHBondContact O-N 2.93Å; T237-L254 HydrophobicContact CG2-CD1 3.72Å; T237-L257 HydrophobicContact CG2-CD1 4.34Å
238	K	94.8	Very high	85.4	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	114.3	174	-155.8	176.8	-171.1	174.6	0	112.1	F170 W174 N177 F218 V219 G244 I246 E293	F170-K238 HydrophobicContact CE2-CB 4.46Å; F170-K238 HydrophobicContact CE2-CD 3.95Å; F170-K238 HydrophobicContact CE2-CG 3.91Å; F170-K238 HydrophobicContact CZ-CB 4.28Å; F170-K238 HydrophobicContact CZ-CD 4.12Å; F170-K238 HydrophobicContact CZ-CG 4.17Å; W174-K238 HydrophobicContact CE3-CB 4.18Å; W174-K238 HydrophobicContact CE3-CD 3.85Å; W174-K238 HydrophobicContact CZ3-CB 4.03Å; W174-K238 HydrophobicContact CZ3-CD 4.41Å; N177-K238 PolarHBondContact ND2-NZ 3.2Å; F218-K238 WeakPolarHBondContact CA-O 3.4Å; F218-K238 WeakPolarHBondContact CB-O 3.41Å; V219-K238 HydrophobicContact CG2-CB 4.21Å; V219-K238 PolarHBondContact N-O 3.2Å; V219-K238 PolarHBondContact O-N 3.16Å; K238-G244 WeakPolarHBondContact CE-O 3.39Å; K238-I246 HydrophobicContact CD-CB 4.34Å; K238-E293 WeakPolarHBondContact CE-OE1 3.38Å; K238-E293 VanDerWaalsContact NZ-CD 3.32Å; K238-E293 IonicContact NZ-OE1 2.7Å; K238-E293 PolarHBondContact NZ-OE1 2.92Å; K238-E293 IonicContact NZ-OE2 2.69Å; K238-E293 PolarHBondContact NZ-OE2 3.14Å
239	H	92.1	Very high	86	Confident	62 Å²	62	33.6 Å²	33.6	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.5	177	-70.6	-92	0	0	0	111.7	F170 F218 D242	F170-H239 VanDerWaalsContact CE2-O 3.31Å; F170-H239 WeakPolarHBondContact CE2-O 3.46Å; F218-H239 HydrophobicContact CB-CB 4.48Å; F218-H239 AromaticContact CD1-CE1 3.83Å; H239-D242 HydrophobicContact CB-CB 4.33Å
240	T	85.5	Confident	86.9	Confident	23 Å²	23	34.5 Å²	34.5	14%	0.141	19%	0.191	C	C	.	.	S	Bend	trans	-91	-23.5	-168.4	61.8	0	0	0	0	113.9	F170 P216 E217	F170-T240 HydrophobicContact CE1-CG2 4.13Å; F170-T240 HydrophobicContact CE2-CG2 4.17Å; F170-T240 HydrophobicContact CZ-CG2 3.88Å; P216-T240 HydrophobicContact CB-CG2 4.33Å; P216-T240 HydrophobicContact CG-CG2 3.98Å; P216-T240 WeakPolarHBondContact O-CG2 3.31Å; P216-T240 PolarHBondContact O-OG1 3.47Å; E217-T240 PolarHBondContact O-N 3.4Å; E217-T240 PolarHBondContact O-OG1 3.43Å; E217-T240 VanDerWaalsContact O-OG1 3.06Å
241	Q	70.9	Confident	87.6	Confident	121 Å²	121	34.5 Å²	34.5	57%	0.565	19%	0.19	S	C	*	.	S	Bend	trans	-99.1	-28.1	-175.8	-55.8	-169.5	26.1	0	0	113.1
242	D	59	Low	87.7	Confident	107 Å²	107	40.2 Å²	40.2	57%	0.572	21%	0.209	S	C	*	.	S	Bend	trans	-77	171.9	176.2	-68.8	-64.5	0	0	0	112.6	H239 G244	H239-D242 HydrophobicContact CB-CB 4.33Å; D242-G244 PolarHBondContact O-N 2.82Å
243	S	62.6	Low	87.7	Confident	87 Å²	87	44.3 Å²	44.3	61%	0.608	23%	0.231	S	C	*	.			trans	-71.6	45.9	157.5	65.6	0	0	0	0	111.2	I245	S243-I245 PolarHBondContact O-N 3.44Å
244	G	67.3	Low	87.8	Confident	10 Å²	10	44.1 Å²	44.1	10%	0.103	23%	0.23	C	C	.	.			trans	-63.5	114.4	-171.1	0	0	0	0	0	111.1	K238 D242	K238-G244 WeakPolarHBondContact CE-O 3.39Å; D242-G244 PolarHBondContact O-N 2.82Å
245	I	86.2	Confident	87.8	Confident	32 Å²	32	44.5 Å²	44.5	16%	0.164	23%	0.231	C	C	.	.			trans	-73.2	159	163	-62	122	0	0	0	107.5	S243 D247 Q290 E293 R294 L297	S243-I245 PolarHBondContact O-N 3.44Å; I245-D247 PolarHBondContact O-N 3.49Å; I245-Q290 HydrophobicContact CG2-CB 3.77Å; I245-Q290 HydrophobicContact CG2-CG 3.78Å; I245-E293 WeakPolarHBondContact CA-OE2 3.46Å; I245-E293 HydrophobicContact CG1-CG 4.21Å; I245-R294 HydrophobicContact CD1-CG 3.62Å; I245-R294 HydrophobicContact CG1-CG 3.8Å; I245-L297 HydrophobicContact CD1-CD1 4.5Å; I245-L297 HydrophobicContact CG1-CD1 4.05Å
246	I	91.4	Very high	87.8	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.255	C	S	.	.			trans	-73	106.9	171.3	-169.7	158.7	0	0	0	110.9	W174 N177 L181 F236 K238 V289 Q290 E293	W174-I246 HydrophobicContact CE3-CD1 4.34Å; W174-I246 HydrophobicContact CZ3-CD1 3.74Å; N177-I246 HydrophobicContact CB-CD1 4.08Å; N177-I246 HydrophobicContact CB-CG2 4.16Å; N177-I246 WeakPolarHBondContact ND2-CB 3.28Å; N177-I246 WeakPolarHBondContact ND2-CG2 3.32Å; L181-I246 HydrophobicContact CD1-CD1 3.56Å; L181-I246 HydrophobicContact CD1-CG1 4.43Å; F236-I246 HydrophobicContact CB-CD1 4.16Å; F236-I246 HydrophobicContact CB-CG1 4.1Å; F236-I246 HydrophobicContact CD1-CG1 4.5Å; K238-I246 HydrophobicContact CD-CB 4.34Å; I246-V289 HydrophobicContact CG2-CG1 4.48Å; I246-Q290 HydrophobicContact CG2-CG 4.43Å; I246-Q290 VanDerWaalsContact O-CG 3.29Å; I246-Q290 WeakPolarHBondContact O-CG 3.46Å; I246-Q290 PolarHBondContact O-NE2 3.29Å; I246-E293 PolarHBondContact N-OE2 2.82Å
247	D	92.4	Very high	87.7	Confident	67 Å²	67	54 Å²	54	36%	0.358	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	140.9	178.8	-60.8	-51.5	0	0	0	110.3	F236 T237 I245	F236-D247 CarbonylContact C-O 3.52Å; F236-D247 VanDerWaalsContact CA-O 3.26Å; F236-D247 WeakPolarHBondContact CA-O 3.37Å; T237-D247 PolarHBondContact N-O 2.99Å; T237-D247 PolarHBondContact O-N 2.93Å; I245-D247 PolarHBondContact O-N 3.49Å
248	D	93.6	Very high	87.7	Confident	55 Å²	55	54 Å²	54	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.3	174.8	60.2	-68.8	0	0	0	112	F236 L283 V286 Q290	F236-D248 HydrophobicContact CD1-CB 4.04Å; F236-D248 HydrophobicContact CE1-CB 3.98Å; D248-L283 WeakPolarHBondContact OD2-CD2 3.29Å; D248-V286 HydrophobicContact CB-CG1 3.83Å; D248-Q290 PolarHBondContact OD1-NE2 3.11Å
249	V	94.1	Very high	87.5	Confident	34 Å²	34	56.7 Å²	56.7	21%	0.206	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.7	-176.2	-70	0	0	0	0	110.5	G235 D253 L254	G235-V249 CarbonylContact C-O 3.6Å; G235-V249 WeakPolarHBondContact CA-O 3.33Å; G235-V249 PolarHBondContact N-O 3.47Å; G235-V249 PolarHBondContact O-N 3.36Å; V249-D253 HydrophobicContact CB-CB 4.38Å; V249-L254 HydrophobicContact CG2-CB 3.83Å
250	M	92.4	Very high	87.3	Confident	94 Å²	94	61 Å²	61	46%	0.463	32%	0.315	S	S	.	.			trans	-67.8	150.3	166.5	-60.8	-66.6	-65.6	0	0	109.1	R252 D253 L254 M279	M250-R252 PolarHBondContact O-N 2.83Å; M250-D253 WeakPolarHBondContact CB-OD2 3.33Å; M250-D253 PolarHBondContact O-N 3.5Å; M250-L254 PolarHBondContact O-N 2.91Å; M250-M279 HydrophobicContact CE-CE 3.87Å; M250-M279 HydrophobicContact SD-CE 4.12Å
251	V	94.6	Very high	87.7	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-38.9	178.4	175.7	0	0	0	0	111.8	A233 D253 L254 E255 L264 F265	A233-V251 HydrophobicContact CB-CG2 3.76Å; V251-D253 VanDerWaalsContact C-N 3.26Å; V251-D253 PolarHBondContact O-N 2.98Å; V251-L254 WeakPolarHBondContact O-CB 3.4Å; V251-L254 PolarHBondContact O-N 3.03Å; V251-E255 HydrophobicContact CG1-CG 4.31Å; V251-E255 WeakPolarHBondContact O-CB 3.42Å; V251-E255 VanDerWaalsContact O-CG 3.25Å; V251-E255 WeakPolarHBondContact O-CG 3.5Å; V251-E255 PolarHBondContact O-N 2.99Å; V251-L264 HydrophobicContact CG1-CB 4.25Å; V251-L264 HydrophobicContact CG1-CD1 4.33Å; V251-F265 HydrophobicContact CG1-CD2 4.11Å; V251-F265 HydrophobicContact CG2-CD2 4.36Å; V251-F265 HydrophobicContact CG2-CE2 4.29Å
252	R	92.6	Very high	88.8	Confident	128 Å²	128	60.4 Å²	60.4	48%	0.483	31%	0.31	S	S	.	.	H	α-helix	trans	-56.4	-36.3	173.2	-75.5	-173.5	173.6	-75	-7.7	114	M250 E255 Q256 N268 E271	M250-R252 PolarHBondContact O-N 2.83Å; R252-E255 WeakPolarHBondContact O-CB 3.25Å; R252-Q256 WeakPolarHBondContact O-CG 3.23Å; R252-Q256 PolarHBondContact O-N 2.88Å; R252-N268 WeakPolarHBondContact CG-ND2 3.01Å; R252-N268 PolarHBondContact NH2-ND2 3.05Å; R252-E271 IonicContact CZ-OE1 3.5Å; R252-E271 IonicContact CZ-OE2 3.61Å; R252-E271 IonicContact NE-OE1 3.23Å; R252-E271 PolarHBondContact NE-OE1 3.32Å; R252-E271 IonicContact NE-OE2 2.62Å; R252-E271 PolarHBondContact NE-OE2 2.79Å; R252-E271 IonicContact NH2-OE1 2.67Å; R252-E271 PolarHBondContact NH2-OE1 3.13Å; R252-E271 IonicContact NH2-OE2 3.18Å; R252-E271 PolarHBondContact NH2-OE2 3.27Å
253	D	94.1	Very high	90.5	Very high	86 Å²	86	59.4 Å²	59.4	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-81	-39.3	-177	-60.1	-38.9	0	0	0	109.9	V249 M250 V251 E255 Q256 L257	V249-D253 HydrophobicContact CB-CB 4.38Å; M250-D253 WeakPolarHBondContact CB-OD2 3.33Å; M250-D253 PolarHBondContact O-N 3.5Å; V251-D253 VanDerWaalsContact C-N 3.26Å; V251-D253 PolarHBondContact O-N 2.98Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact O-N 3.09Å; D253-Q256 WeakPolarHBondContact O-CA 3.46Å; D253-Q256 WeakPolarHBondContact O-CB 3.48Å; D253-Q256 PolarHBondContact O-N 2.95Å; D253-L257 WeakPolarHBondContact O-CG 3.44Å; D253-L257 PolarHBondContact O-N 2.92Å; D253-L257 VanDerWaalsContact O-N 3.07Å
254	L	96.1	Very high	92.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-46.1	166.1	176.7	58.4	0	0	0	111.3	W220 A222 T237 V249 M250 V251 Q256 L257 L258 L264	W220-L254 HydrophobicContact CB-CD1 3.91Å; W220-L254 HydrophobicContact CE3-CD2 4.02Å; W220-L254 HydrophobicContact CG-CD1 4.28Å; A222-L254 HydrophobicContact CB-CD2 3.91Å; T237-L254 HydrophobicContact CG2-CD1 3.72Å; V249-L254 HydrophobicContact CG2-CB 3.83Å; M250-L254 PolarHBondContact O-N 2.91Å; V251-L254 WeakPolarHBondContact O-CB 3.4Å; V251-L254 PolarHBondContact O-N 3.03Å; L254-Q256 PolarHBondContact O-N 3.22Å; L254-L257 PolarHBondContact O-N 3.25Å; L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CD2 4.15Å; L254-L258 HydrophobicContact CD1-CG 3.98Å; L254-L258 HydrophobicContact CG-CD1 4.2Å; L254-L258 HydrophobicContact CG-CG 4.34Å; L254-L258 WeakPolarHBondContact O-CG 3.46Å; L254-L258 PolarHBondContact O-N 3.35Å; L254-L264 HydrophobicContact CD2-CD1 3.71Å; L254-L264 HydrophobicContact CG-CD1 3.91Å
255	E	95.8	Very high	93.4	Very high	13 Å²	13	55 Å²	55	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-27	174.1	-72.9	171.9	162.6	0	0	113.1	V251 R252 D253 K261 P262 Q263 L264	V251-E255 HydrophobicContact CG1-CG 4.31Å; V251-E255 WeakPolarHBondContact O-CB 3.42Å; V251-E255 VanDerWaalsContact O-CG 3.25Å; V251-E255 WeakPolarHBondContact O-CG 3.5Å; V251-E255 PolarHBondContact O-N 2.99Å; R252-E255 WeakPolarHBondContact O-CB 3.25Å; D253-E255 VanDerWaalsContact C-N 3.31Å; D253-E255 PolarHBondContact O-N 3.09Å; E255-K261 VanDerWaalsContact O-CA 3.29Å; E255-K261 WeakPolarHBondContact O-CA 3.48Å; E255-P262 WeakPolarHBondContact CB-O 3.24Å; E255-P262 VanDerWaalsContact CG-O 3.23Å; E255-P262 WeakPolarHBondContact CG-O 3.35Å; E255-Q263 WeakPolarHBondContact OE1-CA 3.38Å; E255-L264 HydrophobicContact CG-CB 4.39Å; E255-L264 HydrophobicContact CG-CD1 4.04Å; E255-L264 HydrophobicContact CG-CG 3.9Å; E255-L264 PolarHBondContact OE1-N 3.09Å
256	Q	95.4	Very high	93.5	Very high	105 Å²	105	57 Å²	57	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-80.8	-25.4	172.2	-64.2	-46.5	-75.9	0	0	113.9	R252 D253 L254	R252-Q256 WeakPolarHBondContact O-CG 3.23Å; R252-Q256 PolarHBondContact O-N 2.88Å; D253-Q256 WeakPolarHBondContact O-CA 3.46Å; D253-Q256 WeakPolarHBondContact O-CB 3.48Å; D253-Q256 PolarHBondContact O-N 2.95Å; L254-Q256 PolarHBondContact O-N 3.22Å
257	L	94.6	Very high	93.2	Very high	97 Å²	97	62.2 Å²	62.2	51%	0.508	31%	0.305	S	S	.	.	H	α-helix	trans	-80.4	-27.5	176.6	-65.7	172.3	0	0	0	112.7	T237 D253 L254	T237-L257 HydrophobicContact CG2-CD1 4.34Å; D253-L257 WeakPolarHBondContact O-CG 3.44Å; D253-L257 PolarHBondContact O-N 2.92Å; D253-L257 VanDerWaalsContact O-N 3.07Å; L254-L257 PolarHBondContact O-N 3.25Å
258	L	95.6	Very high	92.8	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	29%	0.292	C	S	.	.	S	Bend	trans	-78.4	145	-177.8	-67.6	-178.2	0	0	0	113.5	V203 F218 W220 L254 K261 P262 L264	V203-L258 HydrophobicContact CG2-CD2 3.81Å; F218-L258 HydrophobicContact CE2-CD2 4.12Å; F218-L258 HydrophobicContact CZ-CD2 4.33Å; W220-L258 VanDerWaalsContact CD1-CD2 3.48Å; W220-L258 HydrophobicContact CD2-CD1 4.09Å; W220-L258 HydrophobicContact CD2-CD2 4.03Å; W220-L258 HydrophobicContact CE3-CD1 4.34Å; W220-L258 HydrophobicContact CG-CD2 3.88Å; W220-L258 HydrophobicContact CH2-CD1 4.08Å; W220-L258 HydrophobicContact CZ2-CD1 3.8Å; W220-L258 HydrophobicContact CZ2-CD2 4.41Å; W220-L258 HydrophobicContact CZ3-CD1 4.34Å; L254-L258 HydrophobicContact CD1-CD1 4.24Å; L254-L258 HydrophobicContact CD1-CD2 4.15Å; L254-L258 HydrophobicContact CD1-CG 3.98Å; L254-L258 HydrophobicContact CG-CD1 4.2Å; L254-L258 HydrophobicContact CG-CG 4.34Å; L254-L258 WeakPolarHBondContact O-CG 3.46Å; L254-L258 PolarHBondContact O-N 3.35Å; L258-K261 PolarHBondContact O-N 3.49Å; L258-P262 HydrophobicContact CB-CG 3.94Å; L258-P262 HydrophobicContact CD1-CG 3.96Å; L258-L264 HydrophobicContact CD1-CD1 3.89Å; L258-L264 HydrophobicContact CD1-CD2 3.92Å; L258-L264 HydrophobicContact CD1-CG 4.31Å
259	P	90.9	Very high	92.5	Very high	57 Å²	57	57.3 Å²	57.3	37%	0.37	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	141	172.9	-27.9	35.2	0	0	0	112.8	V203 K261	V203-P259 HydrophobicContact CG1-CG 4.02Å; V203-P259 HydrophobicContact CG2-CG 4.22Å; P259-K261 PolarHBondContact O-N 3.11Å; P259-K261 VanDerWaalsContact O-N 3.07Å
260	H	88.5	Confident	91.9	Very high	152 Å²	152	56.9 Å²	56.9	70%	0.704	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	2.1	-178.2	-51.4	-73.5	0	0	0	116.8
261	K	93.4	Very high	91.1	Very high	126 Å²	126	56 Å²	56	55%	0.548	28%	0.276	S	S	.	.			trans	54.3	65.2	176.8	-61.3	-171.2	168.8	-157.2	0	113.1	E255 L258 P259	E255-K261 VanDerWaalsContact O-CA 3.29Å; E255-K261 WeakPolarHBondContact O-CA 3.48Å; L258-K261 PolarHBondContact O-N 3.49Å; P259-K261 PolarHBondContact O-N 3.11Å; P259-K261 VanDerWaalsContact O-N 3.07Å
262	P	94.6	Very high	90.1	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.045	32%	0.315	C	S	.	.			trans	-70.9	170.3	-172.4	34.8	-39.3	0	0	0	112.4	A45 L47 E255 L258 L264	A45-P262 CarbonylContact O-C 3.53Å; A45-P262 WeakPolarHBondContact O-CA 3.39Å; A45-P262 WeakPolarHBondContact O-CB 3.4Å; L47-P262 HydrophobicContact CD1-CB 4.42Å; L47-P262 HydrophobicContact CD1-CG 4.43Å; L47-P262 HydrophobicContact CD2-CB 3.96Å; L47-P262 HydrophobicContact CD2-CG 3.83Å; L47-P262 HydrophobicContact CG-CB 3.68Å; L47-P262 HydrophobicContact CG-CG 3.97Å; E255-P262 WeakPolarHBondContact CB-O 3.24Å; E255-P262 VanDerWaalsContact CG-O 3.23Å; E255-P262 WeakPolarHBondContact CG-O 3.35Å; L258-P262 HydrophobicContact CB-CG 3.94Å; L258-P262 HydrophobicContact CD1-CG 3.96Å; P262-L264 HydrophobicContact CG-CD2 4.12Å; P262-L264 HydrophobicContact CG-CG 4.38Å
263	Q	94.8	Very high	89.3	Confident	85 Å²	85	63.1 Å²	63.1	40%	0.397	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-102.9	115	158.5	-178.4	173.8	13	0	0	107.8	P44 A45 E255 F265	P44-Q263 CarbonylContact C-O 3.47Å; P44-Q263 WeakPolarHBondContact CA-O 3.43Å; A45-Q263 HydrophobicContact CB-CB 4.34Å; A45-Q263 PolarHBondContact N-O 3.4Å; A45-Q263 PolarHBondContact O-N 2.82Å; E255-Q263 WeakPolarHBondContact OE1-CA 3.38Å; Q263-F265 WeakPolarHBondContact CG-O 3.29Å; Q263-F265 PolarHBondContact NE2-O 3.22Å; Q263-F265 VanDerWaalsContact NE2-O 3.14Å
264	L	95.6	Very high	88.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.309	C	S	.	.			trans	-83.3	-35.8	-174.8	-68.5	177	0	0	0	112.7	P44 L47 I199 W220 A222 V251 L254 E255 L258 P262	P44-L264 HydrophobicContact CB-CD2 4.3Å; P44-L264 HydrophobicContact CG-CD2 4.42Å; L47-L264 HydrophobicContact CD1-CD2 4.01Å; I199-L264 WeakPolarHBondContact CD1-O 3.21Å; W220-L264 HydrophobicContact CH2-CD2 3.65Å; W220-L264 HydrophobicContact CZ3-CD1 4.11Å; W220-L264 HydrophobicContact CZ3-CD2 3.94Å; A222-L264 HydrophobicContact CB-CD1 3.92Å; V251-L264 HydrophobicContact CG1-CB 4.25Å; V251-L264 HydrophobicContact CG1-CD1 4.33Å; L254-L264 HydrophobicContact CD2-CD1 3.71Å; L254-L264 HydrophobicContact CG-CD1 3.91Å; E255-L264 HydrophobicContact CG-CB 4.39Å; E255-L264 HydrophobicContact CG-CD1 4.04Å; E255-L264 HydrophobicContact CG-CG 3.9Å; E255-L264 PolarHBondContact OE1-N 3.09Å; L258-L264 HydrophobicContact CD1-CD1 3.89Å; L258-L264 HydrophobicContact CD1-CD2 3.92Å; L258-L264 HydrophobicContact CD1-CG 4.31Å; P262-L264 HydrophobicContact CG-CD2 4.12Å; P262-L264 HydrophobicContact CG-CG 4.38Å
265	F	94.8	Very high	88.4	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	32%	0.321	C	S	.	.	S	Bend	trans	-130.1	139.8	175.5	-60.2	-59.2	0	0	0	110.6	Y39 I199 A222 C224 A233 V251 Q263 D267 N268	Y39-F265 HydrophobicContact CD1-CB 4.47Å; I199-F265 HydrophobicContact CD1-CD1 4.09Å; I199-F265 HydrophobicContact CD1-CE1 3.61Å; I199-F265 HydrophobicContact CD1-CZ 4.33Å; I199-F265 HydrophobicContact CG1-CE1 3.85Å; I199-F265 HydrophobicContact CG1-CZ 4.28Å; A222-F265 HydrophobicContact CB-CE2 3.76Å; A222-F265 HydrophobicContact CB-CZ 3.93Å; C224-F265 HydrophobicContact CB-CD1 3.82Å; C224-F265 HydrophobicContact CB-CD2 3.75Å; C224-F265 HydrophobicContact CB-CE1 3.62Å; C224-F265 HydrophobicContact CB-CE2 3.55Å; C224-F265 HydrophobicContact CB-CG 3.89Å; C224-F265 HydrophobicContact CB-CZ 3.49Å; C224-F265 VanDerWaalsContact CB-CZ 3.49Å; A233-F265 HydrophobicContact CB-CD2 4.47Å; V251-F265 HydrophobicContact CG1-CD2 4.11Å; V251-F265 HydrophobicContact CG2-CD2 4.36Å; V251-F265 HydrophobicContact CG2-CE2 4.29Å; Q263-F265 WeakPolarHBondContact CG-O 3.29Å; Q263-F265 PolarHBondContact NE2-O 3.22Å; Q263-F265 VanDerWaalsContact NE2-O 3.14Å; F265-D267 PolarHBondContact O-N 2.81Å; F265-N268 PolarHBondContact O-N 3Å
266	Q	88.6	Confident	88.1	Confident	76 Å²	76	67.4 Å²	67.4	36%	0.355	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-54.8	132.3	169.5	-178.9	174.6	-12.9	0	0	110.1	Y39 T42 N268 C269	Y39-Q266 HydrophobicContact CD1-CB 4.14Å; Y39-Q266 HydrophobicContact CE1-CB 4.28Å; Y39-Q266 VanDerWaalsContact CE1-O 3.26Å; Y39-Q266 WeakPolarHBondContact CE1-O 3.46Å; T42-Q266 HydrophobicContact CG2-CB 4.48Å; T42-Q266 PolarHBondContact OG1-OE1 3.39Å; T42-Q266 VanDerWaalsContact OG1-OE1 3.04Å; Q266-N268 PolarHBondContact O-N 3.14Å; Q266-C269 PolarHBondContact O-N 2.99Å
267	D	84.2	Confident	87.9	Confident	110 Å²	110	68.2 Å²	68.2	59%	0.588	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	46.5	30.1	-178.9	-59	-51.4	0	0	0	114.4	F265 C269 G270 E271	F265-D267 PolarHBondContact O-N 2.81Å; D267-C269 PolarHBondContact O-N 2.99Å; D267-G270 PolarHBondContact O-N 3.07Å; D267-G270 VanDerWaalsContact O-N 3.08Å; D267-E271 PolarHBondContact O-N 3.22Å
268	N	84	Confident	87.7	Confident	14 Å²	14	65.5 Å²	65.5	8%	0.075	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	51.8	38	-178.4	-67.5	-6.2	0	0	0	113.5	R252 F265 Q266 E271 Q274	R252-N268 WeakPolarHBondContact CG-ND2 3.01Å; R252-N268 PolarHBondContact NH2-ND2 3.05Å; F265-N268 PolarHBondContact O-N 3Å; Q266-N268 PolarHBondContact O-N 3.14Å; N268-E271 HydrophobicContact CB-CB 3.91Å; N268-E271 WeakPolarHBondContact CB-OE2 3.27Å; N268-E271 PolarHBondContact ND2-OE2 2.98Å; N268-Q274 PolarHBondContact O-NE2 3.14Å
269	C	87.4	Confident	87.6	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.027	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	50.3	-175.4	-159.9	0	0	0	0	111.7	C224 C225 W232 A233 Q266 D267 Q274	C224-C269 WeakPolarHBondContact CA-SG 3.07Å; C224-C269 HydrophobicContact CB-CB 3.68Å; C224-C269 WeakPolarHBondContact CB-SG 3.42Å; C224-C269 WeakPolarHBondContact SG-CB 3.27Å; C224-C269 CovalentContact SG-SG 2.03Å; C224-C269 PolarHBondContact SG-SG 3.15Å; C225-C269 PolarHBondContact N-SG 3.23Å; C225-C269 VanDerWaalsContact N-SG 3.36Å; W232-C269 PolarHBondContact O-SG 3.42Å; A233-C269 HydrophobicContact CB-CB 3.66Å; Q266-C269 PolarHBondContact O-N 2.99Å; D267-C269 PolarHBondContact O-N 2.99Å; C269-Q274 PolarHBondContact O-NE2 3.35Å
270	G	81.2	Confident	87.7	Confident	25 Å²	25	70.3 Å²	70.3	26%	0.258	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	42.9	177.2	0	0	0	0	0	114.3	D267 T272 E273 Q274	D267-G270 PolarHBondContact O-N 3.07Å; D267-G270 VanDerWaalsContact O-N 3.08Å; G270-T272 PolarHBondContact O-N 2.85Å; G270-E273 PolarHBondContact O-N 3.28Å; G270-Q274 PolarHBondContact O-N 3.18Å
271	E	76.9	Confident	87.9	Confident	76 Å²	76	67 Å²	67	36%	0.355	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-45.5	-37.7	-170.6	-177.5	-178.7	157.6	0	0	115.6	R252 D267 N268 E273	R252-E271 IonicContact CZ-OE1 3.5Å; R252-E271 IonicContact CZ-OE2 3.61Å; R252-E271 IonicContact NE-OE1 3.23Å; R252-E271 PolarHBondContact NE-OE1 3.32Å; R252-E271 IonicContact NE-OE2 2.62Å; R252-E271 PolarHBondContact NE-OE2 2.79Å; R252-E271 IonicContact NH2-OE1 2.67Å; R252-E271 PolarHBondContact NH2-OE1 3.13Å; R252-E271 IonicContact NH2-OE2 3.18Å; R252-E271 PolarHBondContact NH2-OE2 3.27Å; D267-E271 PolarHBondContact O-N 3.22Å; N268-E271 HydrophobicContact CB-CB 3.91Å; N268-E271 WeakPolarHBondContact CB-OE2 3.27Å; N268-E271 PolarHBondContact ND2-OE2 2.98Å; E271-E273 PolarHBondContact O-N 3.32Å
272	T	72.8	Confident	87.9	Confident	138 Å²	138	61 Å²	61	85%	0.847	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72	-9.8	179.8	47.8	0	0	0	0	114.8	G270	G270-T272 PolarHBondContact O-N 2.85Å
273	E	76.9	Confident	87.9	Confident	145 Å²	145	63.5 Å²	63.5	68%	0.678	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-124.2	11	-173.7	-54.9	-168.9	174.6	0	0	112.6	G270 E271	G270-E273 PolarHBondContact O-N 3.28Å; E271-E273 PolarHBondContact O-N 3.32Å
274	Q	84.3	Confident	87.9	Confident	29 Å²	29	65.1 Å²	65.1	14%	0.136	33%	0.332	C	S	.	.			trans	-71.2	141.6	-176.1	-68.1	-171.5	5.8	0	0	114.2	G231 N268 C269 G270 T276 M279	G231-Q274 CarbonylContact O-C 3.56Å; G231-Q274 VanDerWaalsContact O-CA 3.29Å; G231-Q274 WeakPolarHBondContact O-CA 3.41Å; N268-Q274 PolarHBondContact O-NE2 3.14Å; C269-Q274 PolarHBondContact O-NE2 3.35Å; G270-Q274 PolarHBondContact O-N 3.18Å; Q274-T276 PolarHBondContact O-N 3.02Å; Q274-M279 HydrophobicContact CB-SD 4.08Å
275	D	86.9	Confident	87.9	Confident	47 Å²	47	66.1 Å²	66.1	25%	0.251	34%	0.338	S	S	.	.			trans	-77.7	89.2	-179.1	-172.8	-26	0	0	0	111.4	G231 E277 K278 M279	G231-D275 PolarHBondContact O-N 2.96Å; D275-E277 PolarHBondContact O-N 3.49Å; D275-E277 VanDerWaalsContact O-N 3.14Å; D275-E277 WeakPolarHBondContact OD1-CA 3.35Å; D275-E277 WeakPolarHBondContact OD1-CB 3.42Å; D275-E277 PolarHBondContact OD1-N 2.87Å; D275-K278 HydrophobicContact CB-CB 4.07Å; D275-K278 HydrophobicContact CB-CD 3.94Å; D275-K278 HydrophobicContact CB-CG 4.18Å; D275-K278 PolarHBondContact O-N 3.27Å; D275-K278 PolarHBondContact OD1-N 3.49Å; D275-K278 WeakPolarHBondContact OD2-CD 3.48Å; D275-K278 WeakPolarHBondContact OD2-CE 3.43Å; D275-K278 VanDerWaalsContact OD2-CG 3.26Å; D275-K278 WeakPolarHBondContact OD2-CG 3.26Å; D275-K278 IonicContact OD2-NZ 3.97Å; D275-M279 WeakPolarHBondContact O-CG 3.29Å; D275-M279 PolarHBondContact O-N 2.89Å
276	T	89	Confident	87.9	Confident	113 Å²	113	66 Å²	66	69%	0.693	34%	0.337	S	S	*	.	H	α-helix	trans	-59.9	-19.7	177.6	58.3	0	0	0	0	114.5	Q274 K280	Q274-T276 PolarHBondContact O-N 3.02Å; T276-K280 WeakPolarHBondContact O-CB 3.41Å; T276-K280 PolarHBondContact O-N 3.42Å; T276-K280 VanDerWaalsContact O-N 3.09Å
277	E	90.7	Very high	88.1	Confident	122 Å²	122	65.7 Å²	65.7	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-79.8	-42.3	176.1	-162.7	-170.4	128	0	0	111.1	D275 K280 K281	D275-E277 PolarHBondContact O-N 3.49Å; D275-E277 VanDerWaalsContact O-N 3.14Å; D275-E277 WeakPolarHBondContact OD1-CA 3.35Å; D275-E277 WeakPolarHBondContact OD1-CB 3.42Å; D275-E277 PolarHBondContact OD1-N 2.87Å; E277-K280 PolarHBondContact O-N 3.41Å; E277-K281 WeakPolarHBondContact O-CG 3.34Å; E277-K281 PolarHBondContact O-N 2.96Å; E277-K281 VanDerWaalsContact O-N 3.16Å; E277-K281 VanDerWaalsContact OE1-CE 3.31Å; E277-K281 WeakPolarHBondContact OE1-CE 3.26Å; E277-K281 IonicContact OE1-NZ 2.81Å; E277-K281 PolarHBondContact OE1-NZ 2.84Å
278	K	91.2	Very high	88.6	Confident	40 Å²	40	64.2 Å²	64.2	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-47.1	168.5	-75.4	176.9	-168.3	178.6	0	111.2	H189 G230 D275 K280 K281 I282	H189-K278 HydrophobicContact CB-CG 4.48Å; G230-K278 PolarHBondContact O-NZ 2.91Å; D275-K278 HydrophobicContact CB-CB 4.07Å; D275-K278 HydrophobicContact CB-CD 3.94Å; D275-K278 HydrophobicContact CB-CG 4.18Å; D275-K278 PolarHBondContact O-N 3.27Å; D275-K278 PolarHBondContact OD1-N 3.49Å; D275-K278 WeakPolarHBondContact OD2-CD 3.48Å; D275-K278 WeakPolarHBondContact OD2-CE 3.43Å; D275-K278 VanDerWaalsContact OD2-CG 3.26Å; D275-K278 WeakPolarHBondContact OD2-CG 3.26Å; D275-K278 IonicContact OD2-NZ 3.97Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 3.42Å; K278-K281 PolarHBondContact O-N 2.84Å; K278-I282 WeakPolarHBondContact O-CG1 3.48Å; K278-I282 PolarHBondContact O-N 3.28Å
279	M	91.8	Very high	89.1	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-43.8	178.2	-67	177.9	82.4	0	0	111.3	W232 A233 M234 M250 Q274 D275 K281 I282 L283	W232-M279 HydrophobicContact CB-CG 3.66Å; W232-M279 HydrophobicContact CB-SD 4.2Å; W232-M279 HydrophobicContact CG-CG 4.49Å; A233-M279 WeakPolarHBondContact O-CE 3.41Å; M234-M279 HydrophobicContact CE-CB 3.67Å; M234-M279 HydrophobicContact CE-CE 4.2Å; M234-M279 HydrophobicContact CE-CG 3.96Å; M234-M279 WeakPolarHBondContact CE-O 3.27Å; M250-M279 HydrophobicContact CE-CE 3.87Å; M250-M279 HydrophobicContact SD-CE 4.12Å; Q274-M279 HydrophobicContact CB-SD 4.08Å; D275-M279 WeakPolarHBondContact O-CG 3.29Å; D275-M279 PolarHBondContact O-N 2.89Å; M279-K281 VanDerWaalsContact C-N 3.34Å; M279-K281 PolarHBondContact O-N 3.35Å; M279-I282 PolarHBondContact O-N 2.83Å; M279-L283 VanDerWaalsContact O-CG 3.29Å; M279-L283 WeakPolarHBondContact O-CG 2.97Å; M279-L283 PolarHBondContact O-N 3.47Å
280	K	93.2	Very high	89.3	Confident	145 Å²	145	63.8 Å²	63.8	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-58.9	-42	174.8	-171.8	-173.1	173.7	-166.9	0	112.8	T276 E277 K278 L283 E284	T276-K280 WeakPolarHBondContact O-CB 3.41Å; T276-K280 PolarHBondContact O-N 3.42Å; T276-K280 VanDerWaalsContact O-N 3.09Å; E277-K280 PolarHBondContact O-N 3.41Å; K278-K280 VanDerWaalsContact C-N 3.28Å; K278-K280 PolarHBondContact O-N 3.42Å; K280-L283 PolarHBondContact O-N 2.94Å; K280-E284 PolarHBondContact O-N 3.43Å
281	K	93.8	Very high	89.9	Confident	83 Å²	83	68.6 Å²	68.6	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-39.5	178.6	-67.7	166.1	-173.2	166.7	0	112.3	H189 E277 K278 M279 E284 V285	H189-K281 WeakPolarHBondContact NE2-CB 3.32Å; E277-K281 WeakPolarHBondContact O-CG 3.34Å; E277-K281 PolarHBondContact O-N 2.96Å; E277-K281 VanDerWaalsContact O-N 3.16Å; E277-K281 VanDerWaalsContact OE1-CE 3.31Å; E277-K281 WeakPolarHBondContact OE1-CE 3.26Å; E277-K281 IonicContact OE1-NZ 2.81Å; E277-K281 PolarHBondContact OE1-NZ 2.84Å; K278-K281 PolarHBondContact O-N 2.84Å; M279-K281 VanDerWaalsContact C-N 3.34Å; M279-K281 PolarHBondContact O-N 3.35Å; K281-E284 PolarHBondContact O-N 2.03Å; K281-V285 PolarHBondContact O-N 2.98Å
282	I	93.8	Very high	90.5	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-49.9	172.4	-63.1	164.3	0	0	0	109.4	A185 L186 H189 W232 M234 K278 M279 E284 V285 V286	A185-I282 HydrophobicContact CB-CG2 4.03Å; L186-I282 HydrophobicContact CD2-CG2 3.67Å; H189-I282 HydrophobicContact CB-CD1 4.08Å; H189-I282 HydrophobicContact CB-CG1 4.04Å; W232-I282 HydrophobicContact CD2-CD1 3.56Å; W232-I282 VanDerWaalsContact CE2-CD1 3.46Å; W232-I282 HydrophobicContact CE3-CD1 3.85Å; W232-I282 HydrophobicContact CG-CD1 4.13Å; W232-I282 HydrophobicContact CH2-CD1 4.02Å; W232-I282 HydrophobicContact CZ2-CD1 3.69Å; W232-I282 HydrophobicContact CZ3-CD1 4.09Å; M234-I282 HydrophobicContact CE-CB 3.86Å; M234-I282 HydrophobicContact CE-CD1 4.3Å; M234-I282 HydrophobicContact CE-CG2 3.89Å; M234-I282 HydrophobicContact SD-CB 4.04Å; M234-I282 HydrophobicContact SD-CG2 3.36Å; M234-I282 WeakPolarHBondContact SD-CG2 3.47Å; K278-I282 WeakPolarHBondContact O-CG1 3.48Å; K278-I282 PolarHBondContact O-N 3.28Å; M279-I282 PolarHBondContact O-N 2.83Å; I282-E284 VanDerWaalsContact C-N 3.31Å; I282-E284 PolarHBondContact O-N 2.76Å; I282-V285 PolarHBondContact O-N 2.92Å; I282-V285 VanDerWaalsContact O-N 3.13Å; I282-V286 HydrophobicContact CG2-CG2 4.14Å; I282-V286 VanDerWaalsContact O-CG2 3.24Å; I282-V286 WeakPolarHBondContact O-CG2 3.47Å; I282-V286 PolarHBondContact O-N 2.84Å
283	L	94.7	Very high	91.4	Very high	60 Å²	60	61.6 Å²	61.6	31%	0.314	30%	0.299	S	S	.	.	H	α-helix	trans	-59.5	-38	177.8	-69	171.8	0	0	0	112.8	M234 D248 M279 K280 V285 V286 N287	M234-L283 HydrophobicContact CE-CD1 4.49Å; M234-L283 HydrophobicContact CE-CD2 4.13Å; M234-L283 HydrophobicContact CE-CG 3.86Å; M234-L283 HydrophobicContact SD-CD2 4.38Å; D248-L283 WeakPolarHBondContact OD2-CD2 3.29Å; M279-L283 VanDerWaalsContact O-CG 3.29Å; M279-L283 WeakPolarHBondContact O-CG 2.97Å; M279-L283 PolarHBondContact O-N 3.47Å; K280-L283 PolarHBondContact O-N 2.94Å; L283-V285 VanDerWaalsContact C-N 3.33Å; L283-V285 PolarHBondContact O-N 3.21Å; L283-V286 PolarHBondContact O-N 2.86Å; L283-N287 PolarHBondContact O-N 2.89Å; L283-N287 PolarHBondContact O-ND2 2.75Å
284	E	94.8	Very high	92	Very high	118 Å²	118	59.1 Å²	59.1	55%	0.551	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-41.3	175.6	-170.3	175.3	156.8	0	0	111.9	K280 K281 I282 Q288	K280-E284 PolarHBondContact O-N 3.43Å; K281-E284 PolarHBondContact O-N 2.03Å; I282-E284 VanDerWaalsContact C-N 3.31Å; I282-E284 PolarHBondContact O-N 2.76Å; E284-Q288 WeakPolarHBondContact O-CG 3.45Å; E284-Q288 PolarHBondContact O-N 3.44Å
285	V	94.4	Very high	92.1	Very high	22 Å²	22	60.3 Å²	60.3	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-71.9	-38.9	174.8	178.4	0	0	0	0	112	R184 A185 K281 I282 L283 N287 Q288 V289	R184-V285 HydrophobicContact CB-CG1 3.47Å; R184-V285 VanDerWaalsContact CB-CG1 3.47Å; A185-V285 HydrophobicContact CB-CB 3.89Å; A185-V285 HydrophobicContact CB-CG1 3.72Å; K281-V285 PolarHBondContact O-N 2.98Å; I282-V285 PolarHBondContact O-N 2.92Å; I282-V285 VanDerWaalsContact O-N 3.13Å; L283-V285 VanDerWaalsContact C-N 3.33Å; L283-V285 PolarHBondContact O-N 3.21Å; V285-N287 VanDerWaalsContact C-N 3.34Å; V285-N287 PolarHBondContact O-N 2.86Å; V285-Q288 WeakPolarHBondContact O-CB 3.42Å; V285-Q288 PolarHBondContact O-N 2.91Å; V285-V289 WeakPolarHBondContact O-CG2 3.48Å; V285-V289 PolarHBondContact O-N 2.93Å; V285-V289 VanDerWaalsContact O-N 3.08Å
286	V	94.3	Very high	92	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-46.3	175.7	169.5	0	0	0	0	110.9	L181 F236 D248 I282 L283 Q288 V289 Q290	L181-V286 HydrophobicContact CD2-CB 4.42Å; L181-V286 HydrophobicContact CD2-CG2 3.66Å; F236-V286 HydrophobicContact CE1-CG1 4.22Å; F236-V286 HydrophobicContact CE1-CG2 3.73Å; F236-V286 HydrophobicContact CZ-CG2 4.12Å; D248-V286 HydrophobicContact CB-CG1 3.83Å; I282-V286 HydrophobicContact CG2-CG2 4.14Å; I282-V286 VanDerWaalsContact O-CG2 3.24Å; I282-V286 WeakPolarHBondContact O-CG2 3.47Å; I282-V286 PolarHBondContact O-N 2.84Å; L283-V286 PolarHBondContact O-N 2.86Å; V286-Q288 VanDerWaalsContact C-N 3.3Å; V286-Q288 PolarHBondContact O-N 3.18Å; V286-V289 PolarHBondContact O-N 2.03Å; V286-V289 VanDerWaalsContact O-N 3.09Å; V286-Q290 HydrophobicContact CG1-CG 4.45Å; V286-Q290 WeakPolarHBondContact O-CG 3.46Å; V286-Q290 PolarHBondContact O-N 3.14Å
287	N	94.4	Very high	91.7	Very high	71 Å²	71	57.2 Å²	57.2	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-58.1	-41.1	177.2	-82.9	-84.2	0	0	0	111.8	L283 V285 Q290 E291	L283-N287 PolarHBondContact O-N 2.89Å; L283-N287 PolarHBondContact O-ND2 2.75Å; V285-N287 VanDerWaalsContact C-N 3.34Å; V285-N287 PolarHBondContact O-N 2.86Å; N287-Q290 PolarHBondContact O-N 2.88Å; N287-E291 WeakPolarHBondContact O-CG 3.26Å; N287-E291 PolarHBondContact O-N 3.28Å
288	Q	94.4	Very high	91.1	Very high	78 Å²	78	54.7 Å²	54.7	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.1	-62.9	166.5	16.2	0	0	112	E284 V285 V286 Q290 E291 E292	E284-Q288 WeakPolarHBondContact O-CG 3.45Å; E284-Q288 PolarHBondContact O-N 3.44Å; V285-Q288 WeakPolarHBondContact O-CB 3.42Å; V285-Q288 PolarHBondContact O-N 2.91Å; V286-Q288 VanDerWaalsContact C-N 3.3Å; V286-Q288 PolarHBondContact O-N 3.18Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 3.48Å; Q288-E291 PolarHBondContact O-N 3.27Å; Q288-E292 WeakPolarHBondContact O-CB 3.44Å; Q288-E292 WeakPolarHBondContact O-CG 3.41Å; Q288-E292 PolarHBondContact O-N 2.93Å
289	V	93.3	Very high	90.3	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-38.7	178.3	175	0	0	0	0	111.4	I246 V285 V286 E293	I246-V289 HydrophobicContact CG2-CG1 4.48Å; V285-V289 WeakPolarHBondContact O-CG2 3.48Å; V285-V289 PolarHBondContact O-N 2.93Å; V285-V289 VanDerWaalsContact O-N 3.08Å; V286-V289 PolarHBondContact O-N 2.03Å; V286-V289 VanDerWaalsContact O-N 3.09Å; V289-E293 PolarHBondContact O-N 3.28Å; V289-E293 VanDerWaalsContact O-N 3.07Å
290	Q	93.3	Very high	89.2	Confident	7 Å²	7	63.3 Å²	63.3	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-42.8	173.6	-68	179.5	-1.6	0	0	112.7	I245 I246 D248 V286 N287 Q288 E293 R294	I245-Q290 HydrophobicContact CG2-CB 3.77Å; I245-Q290 HydrophobicContact CG2-CG 3.78Å; I246-Q290 HydrophobicContact CG2-CG 4.43Å; I246-Q290 VanDerWaalsContact O-CG 3.29Å; I246-Q290 WeakPolarHBondContact O-CG 3.46Å; I246-Q290 PolarHBondContact O-NE2 3.29Å; D248-Q290 PolarHBondContact OD1-NE2 3.11Å; V286-Q290 HydrophobicContact CG1-CG 4.45Å; V286-Q290 WeakPolarHBondContact O-CG 3.46Å; V286-Q290 PolarHBondContact O-N 3.14Å; N287-Q290 PolarHBondContact O-N 2.88Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 3.48Å; Q290-E293 PolarHBondContact O-N 3.07Å; Q290-R294 WeakPolarHBondContact O-CB 3.45Å; Q290-R294 VanDerWaalsContact O-CG 3.26Å; Q290-R294 WeakPolarHBondContact O-CG 3.48Å; Q290-R294 PolarHBondContact O-N 3.44Å
291	E	92.1	Very high	87.6	Confident	126 Å²	126	61.1 Å²	61.1	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-64.4	-40.5	176.4	-75.4	-178.2	-179.2	0	0	112	N287 Q288 E293 R294 S295	N287-E291 WeakPolarHBondContact O-CG 3.26Å; N287-E291 PolarHBondContact O-N 3.28Å; Q288-E291 PolarHBondContact O-N 3.27Å; E291-E293 PolarHBondContact O-N 2.71Å; E291-R294 PolarHBondContact O-N 3.33Å; E291-S295 WeakPolarHBondContact O-CB 3.43Å; E291-S295 PolarHBondContact O-N 3.34Å
292	E	91.4	Very high	85.6	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.29	33%	0.326	S	S	.	.	H	α-helix	trans	-56.6	-46.6	170.9	-75.5	173.1	-138	0	0	111.1	R184 Q288 S295 L296	R184-E292 IonicContact CZ-OE1 2.68Å; R184-E292 VanDerWaalsContact CZ-OE1 3.27Å; R184-E292 IonicContact NH1-OE1 3.87Å; R184-E292 PolarHBondContact NH1-OE1 3.28Å; R184-E292 IonicContact NH1-OE2 2.89Å; R184-E292 PolarHBondContact NH1-OE2 3.26Å; R184-E292 IonicContact NH2-OE1 2.8Å; R184-E292 PolarHBondContact NH2-OE1 3.47Å; Q288-E292 WeakPolarHBondContact O-CB 3.44Å; Q288-E292 WeakPolarHBondContact O-CG 3.41Å; Q288-E292 PolarHBondContact O-N 2.93Å; E292-S295 PolarHBondContact O-N 3.07Å; E292-S295 PolarHBondContact O-OG 3.36Å; E292-L296 WeakPolarHBondContact O-CG 3.2Å; E292-L296 PolarHBondContact O-N 3.13Å
293	E	89.9	Confident	82.9	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.023	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-44.9	176.2	178.7	156.4	-134.4	0	0	113.1	R173 N177 K238 I245 I246 V289 Q290 E291 S295 L296 L297	R173-E293 WeakPolarHBondContact CD-OE1 3.39Å; R173-E293 IonicContact NE-OE1 3.51Å; N177-E293 PolarHBondContact ND2-OE2 2.92Å; K238-E293 WeakPolarHBondContact CE-OE1 3.38Å; K238-E293 VanDerWaalsContact NZ-CD 3.32Å; K238-E293 IonicContact NZ-OE1 2.7Å; K238-E293 PolarHBondContact NZ-OE1 2.92Å; K238-E293 IonicContact NZ-OE2 2.69Å; K238-E293 PolarHBondContact NZ-OE2 3.14Å; I245-E293 WeakPolarHBondContact CA-OE2 3.46Å; I245-E293 HydrophobicContact CG1-CG 4.21Å; I246-E293 PolarHBondContact N-OE2 2.82Å; V289-E293 PolarHBondContact O-N 3.28Å; V289-E293 VanDerWaalsContact O-N 3.07Å; Q290-E293 PolarHBondContact O-N 3.07Å; E291-E293 PolarHBondContact O-N 2.71Å; E293-S295 PolarHBondContact O-N 3.39Å; E293-L296 PolarHBondContact O-N 2.87Å; E293-L296 VanDerWaalsContact O-N 3.13Å; E293-L297 HydrophobicContact CG-CD1 4.1Å; E293-L297 PolarHBondContact O-N 2.91Å; E293-L297 VanDerWaalsContact O-N 3.11Å
294	R	89.4	Confident	80.4	Confident	93 Å²	93	69.1 Å²	69.1	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-57.3	-37.1	175.2	-71.2	170.3	-170.2	127.6	7.7	111.7	I245 Q290 E291 S298	I245-R294 HydrophobicContact CD1-CG 3.62Å; I245-R294 HydrophobicContact CG1-CG 3.8Å; Q290-R294 WeakPolarHBondContact O-CB 3.45Å; Q290-R294 VanDerWaalsContact O-CG 3.26Å; Q290-R294 WeakPolarHBondContact O-CG 3.48Å; Q290-R294 PolarHBondContact O-N 3.44Å; E291-R294 PolarHBondContact O-N 3.33Å; R294-S298 WeakPolarHBondContact O-CB 3.46Å; R294-S298 PolarHBondContact O-N 2.96Å; R294-S298 PolarHBondContact O-OG 2.7Å
295	S	87.2	Confident	77.5	Confident	54 Å²	54	71.6 Å²	71.6	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-36.9	177.9	81.3	0	0	0	0	113	E291 E292 E293 S298 Q299	E291-S295 WeakPolarHBondContact O-CB 3.43Å; E291-S295 PolarHBondContact O-N 3.34Å; E292-S295 PolarHBondContact O-N 3.07Å; E292-S295 PolarHBondContact O-OG 3.36Å; E293-S295 PolarHBondContact O-N 3.39Å; S295-S298 WeakPolarHBondContact O-CB 3.18Å; S295-S298 PolarHBondContact O-N 3.32Å; S295-Q299 WeakPolarHBondContact O-CG 3.2Å; S295-Q299 PolarHBondContact O-N 2.69Å; S295-Q299 VanDerWaalsContact O-N 3.13Å
296	L	84.4	Confident	74.5	Confident	65 Å²	65	77.2 Å²	77.2	34%	0.34	43%	0.428	S	S	.	.	H	α-helix	trans	-72.2	-46.7	-179.4	-69.5	163.9	0	0	0	111.5	E292 E293 S298 Q299 E300	E292-L296 WeakPolarHBondContact O-CG 3.2Å; E292-L296 PolarHBondContact O-N 3.13Å; E293-L296 PolarHBondContact O-N 2.87Å; E293-L296 VanDerWaalsContact O-N 3.13Å; L296-S298 PolarHBondContact O-N 2.88Å; L296-Q299 PolarHBondContact O-N 3.14Å; L296-E300 PolarHBondContact O-N 3.07Å
297	L	83.1	Confident	71.5	Confident	30 Å²	30	82.8 Å²	82.8	16%	0.157	47%	0.467	C	S	.	.	H	α-helix	trans	-56.3	-38.2	173.2	-68.6	168.9	0	0	0	111.6	I245 E293 S301	I245-L297 HydrophobicContact CD1-CD1 4.5Å; I245-L297 HydrophobicContact CG1-CD1 4.05Å; E293-L297 HydrophobicContact CG-CD1 4.1Å; E293-L297 PolarHBondContact O-N 2.91Å; E293-L297 VanDerWaalsContact O-N 3.11Å; L297-S301 PolarHBondContact O-N 3.4Å
298	S	78.9	Confident	68.6	Low	68 Å²	68	86.3 Å²	86.3	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-42	175.6	-58.8	0	0	0	0	111.9	R294 S295 L296 S301	R294-S298 WeakPolarHBondContact O-CB 3.46Å; R294-S298 PolarHBondContact O-N 2.96Å; R294-S298 PolarHBondContact O-OG 2.7Å; S295-S298 WeakPolarHBondContact O-CB 3.18Å; S295-S298 PolarHBondContact O-N 3.32Å; L296-S298 PolarHBondContact O-N 2.88Å; S298-S301 PolarHBondContact O-N 2.84Å; S298-S301 PolarHBondContact O-OG 3.31Å
299	Q	74.3	Confident	65.7	Low	123 Å²	123	92 Å²	92	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-67.7	-45.6	178.2	-70.8	175.5	18.2	0	0	112.2	S295 L296 S301 T302	S295-Q299 WeakPolarHBondContact O-CG 3.2Å; S295-Q299 PolarHBondContact O-N 2.69Å; S295-Q299 VanDerWaalsContact O-N 3.13Å; L296-Q299 PolarHBondContact O-N 3.14Å; Q299-S301 PolarHBondContact O-N 2.85Å; Q299-T302 PolarHBondContact O-N 2.88Å; Q299-T302 PolarHBondContact O-OG1 3.4Å
300	E	67.8	Low	62.5	Low	117 Å²	117	97.5 Å²	97.5	55%	0.547	56%	0.556	S	S	.	*	H	α-helix	trans	-52.7	-44	175.1	-71.2	-178.3	156.4	0	0	111.3	R173 L296 T302 S303	R173-E300 IonicContact NH1-OE2 3.34Å; L296-E300 PolarHBondContact O-N 3.07Å; E300-T302 PolarHBondContact O-N 2.86Å; E300-T302 VanDerWaalsContact O-N 3.1Å; E300-S303 PolarHBondContact O-N 3.26Å
301	S	60.3	Low	59.7	Low	98 Å²	98	105.7 Å²	105.7	69%	0.685	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-14.2	-179.4	79.9	0	0	0	0	115.6	L297 S298 Q299	L297-S301 PolarHBondContact O-N 3.4Å; S298-S301 PolarHBondContact O-N 2.84Å; S298-S301 PolarHBondContact O-OG 3.31Å; Q299-S301 PolarHBondContact O-N 2.85Å
302	T	52.3	Low	56.5	Low	105 Å²	105	111.7 Å²	111.7	64%	0.644	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-0.1	-175	58.6	0	0	0	0	114.9	Q299 E300 P304	Q299-T302 PolarHBondContact O-N 2.88Å; Q299-T302 PolarHBondContact O-OG1 3.4Å; E300-T302 PolarHBondContact O-N 2.86Å; E300-T302 VanDerWaalsContact O-N 3.1Å; T302-P304 WeakPolarHBondContact O-CD 3.37Å
303	S	36.4	Very low	53.6	Low	85 Å²	85	113.5 Å²	113.5	59%	0.594	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-92.7	116.2	-176.6	-64.6	0	0	0	0	112.5	E300	E300-S303 PolarHBondContact O-N 3.26Å
304	P	41.4	Very low	50.7	Low	122 Å²	122	117.8 Å²	117.8	79%	0.792	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-77.8	126.5	180	-11.7	28.2	0	0	0	112.1	T302 T306	T302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-T306 PolarHBondContact O-N 2.92Å
305	L	35.7	Very low	49.1	Very low	170 Å²	170	118.6 Å²	118.6	89%	0.89	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-70.1	123.5	167.3	-79.6	93.4	0	0	0	110.6
306	T	30.7	Very low	46.1	Very low	139 Å²	139	123.8 Å²	123.8	85%	0.853	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-81.9	122.5	167.2	40	0	0	0	0	110.4	P304	P304-T306 PolarHBondContact O-N 2.92Å
307	S	31.8	Very low	43.4	Very low	118 Å²	118	125.8 Å²	125.8	83%	0.825	73%	0.727	S	S	*	*			trans	-118.9	124.9	169.5	58.5	0	0	0	0	110.6
308	T	33.5	Very low	41.9	Very low	145 Å²	145	129.4 Å²	129.4	89%	0.89	75%	0.752	S	S	*	*			trans	-92.6	127	-176.7	-46.4	0	0	0	0	109.7
309	Q	33.1	Very low	39.4	Very low	197 Å²	197	134.6 Å²	134.6	92%	0.921	77%	0.769	S	S	*	*			trans	-122.2	145.9	174.3	-147.4	171.9	27.4	0	0	111.9
310	S	25.9	Very low	37.2	Very low	119 Å²	119	133 Å²	133	83%	0.832	78%	0.777	S	S	*	*			trans	-101.6	163.4	-159.3	-165.3	0	0	0	0	114.6
311	Q	35.1	Very low	35.3	Very low	178 Å²	178	132 Å²	132	83%	0.832	78%	0.783	S	S	*	*			trans	-77.7	151	179.1	-63.8	178.1	-22.8	0	0	113.4
312	R	23.2	Very low	33.8	Very low	252 Å²	252	135.8 Å²	135.8	95%	0.951	79%	0.789	S	S	*	*			trans	-155.2	162.1	144.1	-151.3	164.4	-178.7	158	1.7	111.5
313	S	31.4	Very low	32.6	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	80%	0.797	S	S	*	*			trans	-131.7	138	-158.5	-39.7	0	0	0	0	114.7
314	A	29.2	Very low	32.3	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	81%	0.809	S	S	*	*			trans	61	179.4	138.4	0	0	0	0	0	119.7
315	P	55.8	Low	32	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	80%	0.801	S	S	*	*				-133.1	172.4	-51.4	31.8	-14.8	0	0	0	114.2
316	L	23.1	Very low	32.2	Very low	164 Å²	164	127.9 Å²	127.9	86%	0.859	79%	0.791	S	S	*	*				177.5	164.7	127.7	-120.2	68.2	0	0	0	115.3
317	S	29.2	Very low	33.1	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	79%	0.788	S	S	*	*			trans	-129.8	-172.2	169.5	-45.3	0	0	0	0	108.2
318	P	51.6	Low	33.8	Very low	106 Å²	106	132 Å²	132	69%	0.688	79%	0.789	S	S	*	*			cis	-128.3	-141.1	15.7	32	-4.3	0	0	0	112.4
319	E	25.8	Very low	34.5	Very low	178 Å²	178	127.8 Å²	127.8	83%	0.832	78%	0.775	S	S	*	*			cis	-156.3	-131.9	9.6	-159.5	64.9	-81	0	0	112.5
320	A	27.5	Very low	35.3	Very low	90 Å²	90	124 Å²	124	74%	0.744	76%	0.755	S	S	*	*			trans	-124.2	-171.2	-171.8	0	0	0	0	0	111.9
321	S	28.1	Very low	36.5	Very low	95 Å²	95	123.4 Å²	123.4	66%	0.664	75%	0.746	S	S	*	*			cis	-158.9	-166.6	2.4	-153.6	0	0	0	0	107.5
322	E	29.7	Very low	37.2	Very low	177 Å²	177	121.3 Å²	121.3	83%	0.827	74%	0.74	S	S	*	*			cis	-160.8	167.4	1.1	-161.9	136.9	-61	0	0	111.7
323	G	27.2	Very low	38.5	Very low	78 Å²	78	110.9 Å²	110.9	80%	0.804	71%	0.711	S	S	*	*			trans	81.6	149.2	156.8	0	0	0	0	0	117.8
324	G	30.1	Very low	39.5	Very low	83 Å²	83	114.1 Å²	114.1	86%	0.856	71%	0.713	S	S	*	*			cis	179.4	156.1	-8.7	0	0	0	0	0	111.8
325	G	34.1	Very low	40.7	Very low	59 Å²	59	115.5 Å²	115.5	61%	0.608	71%	0.706	S	S	*	*			trans	117.7	163	165.6	0	0	0	0	0	119.1	K330	G325-K330 PolarHBondContact O-NZ 3.44Å
326	S	39.7	Very low	40.6	Very low	97 Å²	97	114.7 Å²	114.7	68%	0.678	70%	0.696	S	S	*	*			trans	53.4	136.7	176.9	-162.7	0	0	0	0	119	K330	S326-K330 WeakPolarHBondContact O-CD 3.47Å; S326-K330 VanDerWaalsContact O-CE 3.24Å; S326-K330 WeakPolarHBondContact O-CE 3.29Å; S326-K330 PolarHBondContact O-NZ 3.12Å
327	F	49.8	Very low	42.3	Very low	180 Å²	180	110.5 Å²	110.5	79%	0.789	68%	0.677	S	S	*	*	S	Bend	trans	-119.4	-22.3	-169.9	-166.3	-114.3	0	0	0	114.1
328	L	47.2	Very low	43.9	Very low	162 Å²	162	108.8 Å²	108.8	85%	0.848	66%	0.663	S	S	*	*	S	Bend	trans	-101.1	-6.4	-173.7	-80.3	166.9	0	0	0	115.8
329	G	47.3	Very low	44.7	Very low	58 Å²	58	109.8 Å²	109.8	60%	0.598	66%	0.657	S	S	*	*	S	Bend	trans	-82.2	-13.7	166.1	0	0	0	0	0	114
330	K	49.5	Very low	47	Very low	117 Å²	117	106.2 Å²	106.2	51%	0.509	64%	0.643	S	S	.	*	H	α-helix	trans	-84.6	-27	-164.2	-74.9	174.6	177.2	154	0	114.7	G325 S326 F334	G325-K330 PolarHBondContact O-NZ 3.44Å; S326-K330 WeakPolarHBondContact O-CD 3.47Å; S326-K330 VanDerWaalsContact O-CE 3.24Å; S326-K330 WeakPolarHBondContact O-CE 3.29Å; S326-K330 PolarHBondContact O-NZ 3.12Å; K330-F334 WeakPolarHBondContact O-CB 3.43Å; K330-F334 PolarHBondContact O-N 2.88Å
331	V	51.1	Low	49	Very low	106 Å²	106	108.6 Å²	108.6	64%	0.642	64%	0.636	S	S	*	*	H	α-helix	trans	-71.6	-47.5	-175.5	-176.6	0	0	0	0	112	G333 F334	V331-G333 VanDerWaalsContact C-N 3.34Å; V331-F334 PolarHBondContact O-N 3.48Å
332	L	49.9	Very low	51.4	Low	135 Å²	135	108.4 Å²	108.4	71%	0.707	63%	0.627	S	S	*	*	H	α-helix	trans	-72.4	-30	177.6	-166.2	61.7	0	0	0	112	L336	L332-L336 HydrophobicContact CD1-CD1 4.09Å; L332-L336 HydrophobicContact CG-CD1 4.37Å; L332-L336 WeakPolarHBondContact O-CD1 3.46Å
333	G	51.3	Low	53.8	Low	33 Å²	33	106.8 Å²	106.8	34%	0.34	62%	0.618	S	S	.	*	H	α-helix	trans	-65.3	-37.2	171.8	0	0	0	0	0	113.5	V331 L335 L336 T337	V331-G333 VanDerWaalsContact C-N 3.34Å; G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.26Å; G333-L336 PolarHBondContact O-N 3.02Å; G333-T337 WeakPolarHBondContact O-CB 3.44Å; G333-T337 PolarHBondContact O-N 3.38Å; G333-T337 PolarHBondContact O-OG1 3.08Å
334	F	52.3	Low	56.3	Low	168 Å²	168	107 Å²	107	74%	0.737	60%	0.598	S	S	*	*	H	α-helix	trans	-63.6	-33.2	-178	-123.2	-96.5	0	0	0	113.4	K330 V331 P338	K330-F334 WeakPolarHBondContact O-CB 3.43Å; K330-F334 PolarHBondContact O-N 2.88Å; V331-F334 PolarHBondContact O-N 3.48Å; F334-P338 VanDerWaalsContact O-CD 3.24Å; F334-P338 WeakPolarHBondContact O-CD 3.48Å
335	L	54.2	Low	58.7	Low	125 Å²	125	108.8 Å²	108.8	65%	0.654	59%	0.587	S	S	*	*	H	α-helix	trans	-85.9	-23.3	-179.1	-70.7	175.1	0	0	0	114.2	G333 F339	G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.26Å; L335-F339 WeakPolarHBondContact O-CD2 3.44Å
336	L	53.4	Low	61.1	Low	92 Å²	92	109.8 Å²	109.8	48%	0.482	58%	0.577	S	S	.	*	H	α-helix	trans	-101.6	-31.5	178.7	-77.4	89.4	0	0	0	114	L332 G333 F339 I340	L332-L336 HydrophobicContact CD1-CD1 4.09Å; L332-L336 HydrophobicContact CG-CD1 4.37Å; L332-L336 WeakPolarHBondContact O-CD1 3.46Å; G333-L336 PolarHBondContact O-N 3.02Å; L336-F339 PolarHBondContact O-N 2.88Å; L336-F339 VanDerWaalsContact O-N 3.15Å; L336-I340 HydrophobicContact CB-CD1 4.11Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3.24Å
337	T	59.6	Low	63.6	Low	75 Å²	75	112.1 Å²	112.1	46%	0.46	57%	0.573	S	S	.	*	H	α-helix	trans	-60	-38.3	-176	63.3	0	0	0	0	115.5	G333 I340 K341	G333-T337 WeakPolarHBondContact O-CB 3.44Å; G333-T337 PolarHBondContact O-N 3.38Å; G333-T337 PolarHBondContact O-OG1 3.08Å; T337-I340 PolarHBondContact O-N 3.31Å; T337-K341 WeakPolarHBondContact O-CG 3.48Å; T337-K341 PolarHBondContact O-N 3Å
338	P	63.2	Low	65.4	Low	71 Å²	71	110.3 Å²	110.3	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-67.4	-36.9	173.7	25.8	-33.4	0	0	0	112.2	F334 K341 L342	F334-P338 VanDerWaalsContact O-CD 3.24Å; F334-P338 WeakPolarHBondContact O-CD 3.48Å; P338-K341 PolarHBondContact O-N 3.06Å; P338-L342 WeakPolarHBondContact O-CB 3.49Å; P338-L342 PolarHBondContact O-N 2.85Å
339	F	68.4	Low	67.3	Low	126 Å²	126	108 Å²	108	55%	0.553	55%	0.55	S	S	*	.	H	α-helix	trans	-68.6	-40.6	176.3	-68.7	-92.6	0	0	0	111.8	L335 L336 K341 L342 F343	L335-F339 WeakPolarHBondContact O-CD2 3.44Å; L336-F339 PolarHBondContact O-N 2.88Å; L336-F339 VanDerWaalsContact O-N 3.15Å; F339-K341 VanDerWaalsContact C-N 3.33Å; F339-K341 PolarHBondContact O-N 2.92Å; F339-L342 PolarHBondContact O-N 3.26Å; F339-F343 WeakPolarHBondContact O-CB 3.33Å; F339-F343 VanDerWaalsContact O-CD2 3.24Å; F339-F343 WeakPolarHBondContact O-CD2 3.26Å; F339-F343 PolarHBondContact O-N 2.91Å
340	I	72.6	Confident	69.4	Low	104 Å²	104	109.5 Å²	109.5	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-60.8	-43.9	174.8	-68.4	164.3	0	0	0	110.4	L336 T337 F343 Q344	L336-I340 HydrophobicContact CB-CD1 4.11Å; L336-I340 WeakPolarHBondContact O-CG1 3.47Å; L336-I340 PolarHBondContact O-N 3.24Å; T337-I340 PolarHBondContact O-N 3.31Å; I340-F343 PolarHBondContact O-N 3.32Å; I340-Q344 VanDerWaalsContact O-CB 3.24Å; I340-Q344 WeakPolarHBondContact O-CB 3.28Å; I340-Q344 PolarHBondContact O-N 3.2Å
341	K	70.6	Confident	71.3	Confident	140 Å²	140	107.3 Å²	107.3	61%	0.609	54%	0.54	S	S	*	.	H	α-helix	trans	-61.8	-41.1	173.7	-77.3	-74.2	-174.2	177	0	112.4	T337 P338 F339 Q344 L345	T337-K341 WeakPolarHBondContact O-CG 3.48Å; T337-K341 PolarHBondContact O-N 3Å; P338-K341 PolarHBondContact O-N 3.06Å; F339-K341 VanDerWaalsContact C-N 3.33Å; F339-K341 PolarHBondContact O-N 2.92Å; K341-Q344 PolarHBondContact O-N 2.93Å; K341-L345 WeakPolarHBondContact O-CB 3.41Å; K341-L345 PolarHBondContact O-N 2.95Å
342	L	77.2	Confident	73	Confident	91 Å²	91	104.4 Å²	104.4	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-47.4	177.1	-177.5	63.2	0	0	0	112.1	P338 F339 Q344 L345 I346	P338-L342 WeakPolarHBondContact O-CB 3.49Å; P338-L342 PolarHBondContact O-N 2.85Å; F339-L342 PolarHBondContact O-N 3.26Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.38Å; L342-L345 WeakPolarHBondContact O-CB 3.28Å; L342-L345 PolarHBondContact O-N 2.92Å; L342-I346 HydrophobicContact CD1-CD1 4.19Å; L342-I346 HydrophobicContact CG-CD1 3.95Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.38Å; L342-I346 PolarHBondContact O-N 3.21Å
343	F	80.7	Confident	74.9	Confident	143 Å²	143	102.4 Å²	102.4	63%	0.627	52%	0.52	S	S	*	.	H	α-helix	trans	-61.5	-38.4	174.2	-84.2	-67.4	0	0	0	111.9	F339 I340 I346 Y347	F339-F343 WeakPolarHBondContact O-CB 3.33Å; F339-F343 VanDerWaalsContact O-CD2 3.24Å; F339-F343 WeakPolarHBondContact O-CD2 3.26Å; F339-F343 PolarHBondContact O-N 2.91Å; I340-F343 PolarHBondContact O-N 3.32Å; F343-I346 PolarHBondContact O-N 2.92Å; F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.4Å
344	Q	79.4	Confident	76.9	Confident	83 Å²	83	106 Å²	106	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-66.5	-39.3	175.9	-167.6	175.9	31.2	0	0	111.9	I340 K341 L342 Y347 Y348	I340-Q344 VanDerWaalsContact O-CB 3.24Å; I340-Q344 WeakPolarHBondContact O-CB 3.28Å; I340-Q344 PolarHBondContact O-N 3.2Å; K341-Q344 PolarHBondContact O-N 2.93Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.38Å; Q344-Y347 PolarHBondContact O-N 2.87Å; Q344-Y348 HydrophobicContact CG-CD2 4.06Å; Q344-Y348 HydrophobicContact CG-CE2 3.67Å; Q344-Y348 WeakPolarHBondContact O-CD2 3.28Å; Q344-Y348 PolarHBondContact O-N 3.35Å
345	L	80.8	Confident	78.6	Confident	119 Å²	119	105.8 Å²	105.8	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-47.2	173.2	-170.4	79	0	0	0	111.5	K341 L342 Y347 Y348 L349	K341-L345 WeakPolarHBondContact O-CB 3.41Å; K341-L345 PolarHBondContact O-N 2.95Å; L342-L345 WeakPolarHBondContact O-CB 3.28Å; L342-L345 PolarHBondContact O-N 2.92Å; L345-Y347 VanDerWaalsContact C-N 3.33Å; L345-Y347 PolarHBondContact O-N 3.4Å; L345-Y348 PolarHBondContact O-N 2.92Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.89Å
346	I	85.9	Confident	80.1	Confident	80 Å²	80	105 Å²	105	41%	0.41	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-42.1	177.2	-68.9	166	0	0	0	110.6	L342 F343 L349 V350	L342-I346 HydrophobicContact CD1-CD1 4.19Å; L342-I346 HydrophobicContact CG-CD1 3.95Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.38Å; L342-I346 PolarHBondContact O-N 3.21Å; F343-I346 PolarHBondContact O-N 2.92Å; I346-L349 PolarHBondContact O-N 3.34Å; I346-V350 HydrophobicContact CG2-CG2 4.31Å; I346-V350 WeakPolarHBondContact O-CB 3.26Å; I346-V350 VanDerWaalsContact O-CG2 3.29Å; I346-V350 WeakPolarHBondContact O-CG2 3.47Å; I346-V350 PolarHBondContact O-N 2.84Å
347	Y	90.2	Very high	81.9	Confident	147 Å²	147	103.1 Å²	103.1	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-61.1	-46.8	176.5	177.2	-102.2	0	0	0	112.2	F343 Q344 L345 V350 I351	F343-Y347 WeakPolarHBondContact O-CB 3.48Å; F343-Y347 PolarHBondContact O-N 3.4Å; Q344-Y347 PolarHBondContact O-N 2.87Å; L345-Y347 VanDerWaalsContact C-N 3.33Å; L345-Y347 PolarHBondContact O-N 3.4Å; Y347-V350 PolarHBondContact O-N 3.48Å; Y347-I351 HydrophobicContact CD1-CD1 4.03Å; Y347-I351 HydrophobicContact CD2-CD1 4.37Å; Y347-I351 HydrophobicContact CE1-CD1 3.48Å; Y347-I351 VanDerWaalsContact CE1-CD1 3.48Å; Y347-I351 HydrophobicContact CE2-CD1 3.87Å; Y347-I351 HydrophobicContact CG-CD1 4.45Å; Y347-I351 WeakPolarHBondContact O-CG1 3.14Å; Y347-I351 PolarHBondContact O-N 3.44Å
348	Y	88.1	Confident	83.5	Confident	142 Å²	142	104.6 Å²	104.6	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-38.3	174.5	-74.5	-53.5	0	0	0	112.6	Q344 L345 I351 A352	Q344-Y348 HydrophobicContact CG-CD2 4.06Å; Q344-Y348 HydrophobicContact CG-CE2 3.67Å; Q344-Y348 WeakPolarHBondContact O-CD2 3.28Å; Q344-Y348 PolarHBondContact O-N 3.35Å; L345-Y348 PolarHBondContact O-N 2.92Å; Y348-I351 PolarHBondContact O-N 3.06Å; Y348-A352 WeakPolarHBondContact O-CB 3.15Å; Y348-A352 PolarHBondContact O-N 2.98Å
349	L	88.1	Confident	84.8	Confident	114 Å²	114	106.1 Å²	106.1	60%	0.597	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-45.8	175.9	-174.5	67.7	0	0	0	111.5	L345 I346 I351 A352 V353	L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.89Å; I346-L349 PolarHBondContact O-N 3.34Å; L349-I351 PolarHBondContact O-N 2.87Å; L349-A352 PolarHBondContact O-N 3.46Å; L349-V353 WeakPolarHBondContact O-CG2 3.33Å; L349-V353 PolarHBondContact O-N 2.75Å
350	V	91.6	Very high	85.8	Confident	88 Å²	88	105.5 Å²	105.5	53%	0.533	53%	0.526	S	S	.	.	H	α-helix	trans	-62	-42.1	176.2	168.4	0	0	0	0	111.1	I346 Y347 V353 L354	I346-V350 HydrophobicContact CG2-CG2 4.31Å; I346-V350 WeakPolarHBondContact O-CB 3.26Å; I346-V350 VanDerWaalsContact O-CG2 3.29Å; I346-V350 WeakPolarHBondContact O-CG2 3.47Å; I346-V350 PolarHBondContact O-N 2.84Å; Y347-V350 PolarHBondContact O-N 3.48Å; V350-V353 PolarHBondContact O-N 2.84Å; V350-L354 VanDerWaalsContact O-CB 3.26Å; V350-L354 WeakPolarHBondContact O-CB 3.05Å; V350-L354 PolarHBondContact O-N 2.95Å
351	I	89.8	Confident	86.6	Confident	71 Å²	71	106.8 Å²	106.8	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-65.8	-40.3	175.4	-74.7	177.1	0	0	0	111.8	Y347 Y348 L349 L354 R355	Y347-I351 HydrophobicContact CD1-CD1 4.03Å; Y347-I351 HydrophobicContact CD2-CD1 4.37Å; Y347-I351 HydrophobicContact CE1-CD1 3.48Å; Y347-I351 VanDerWaalsContact CE1-CD1 3.48Å; Y347-I351 HydrophobicContact CE2-CD1 3.87Å; Y347-I351 HydrophobicContact CG-CD1 4.45Å; Y347-I351 WeakPolarHBondContact O-CG1 3.14Å; Y347-I351 PolarHBondContact O-N 3.44Å; Y348-I351 PolarHBondContact O-N 3.06Å; L349-I351 PolarHBondContact O-N 2.87Å; I351-L354 PolarHBondContact O-N 3.48Å; I351-R355 VanDerWaalsContact O-CB 3.24Å; I351-R355 WeakPolarHBondContact O-CB 2.97Å; I351-R355 PolarHBondContact O-N 3.36Å
352	A	86.8	Confident	87.7	Confident	46 Å²	46	108.8 Å²	108.8	38%	0.38	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176.1	0	0	0	0	0	111.6	Y348 L349 R355 N356	Y348-A352 WeakPolarHBondContact O-CB 3.15Å; Y348-A352 PolarHBondContact O-N 2.98Å; L349-A352 PolarHBondContact O-N 3.46Å; A352-R355 PolarHBondContact O-N 3.21Å; A352-N356 WeakPolarHBondContact O-CB 3.39Å; A352-N356 VanDerWaalsContact O-CG 3.24Å; A352-N356 PolarHBondContact O-N 2.94Å
353	V	89.9	Confident	88.3	Confident	93 Å²	93	110.5 Å²	110.5	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-62.7	-46.2	174.6	170.8	0	0	0	0	111.1	L349 V350 R355 N356 A357	L349-V353 WeakPolarHBondContact O-CG2 3.33Å; L349-V353 PolarHBondContact O-N 2.75Å; V350-V353 PolarHBondContact O-N 2.84Å; V353-R355 PolarHBondContact O-N 3.19Å; V353-N356 PolarHBondContact O-N 3.35Å; V353-A357 WeakPolarHBondContact O-CB 3.36Å; V353-A357 PolarHBondContact O-N 2.88Å
354	L	93	Very high	88.8	Confident	108 Å²	108	107.2 Å²	107.2	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-44.1	179	-167.6	77.6	0	0	0	111.6	V350 I351 A357 I358	V350-L354 VanDerWaalsContact O-CB 3.26Å; V350-L354 WeakPolarHBondContact O-CB 3.05Å; V350-L354 PolarHBondContact O-N 2.95Å; I351-L354 PolarHBondContact O-N 3.48Å; L354-A357 PolarHBondContact O-N 3.13Å; L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 VanDerWaalsContact O-CG1 3.28Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 3.46Å
355	R	87.8	Confident	89.3	Confident	163 Å²	163	105.2 Å²	105.2	62%	0.615	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-42	177.7	-173.3	175.3	-178.6	170.9	2.8	111.7	I351 A352 V353 I358 H359	I351-R355 VanDerWaalsContact O-CB 3.24Å; I351-R355 WeakPolarHBondContact O-CB 2.97Å; I351-R355 PolarHBondContact O-N 3.36Å; A352-R355 PolarHBondContact O-N 3.21Å; V353-R355 PolarHBondContact O-N 3.19Å; R355-I358 PolarHBondContact O-N 2.95Å; R355-H359 PolarHBondContact O-CD2 3.21Å; R355-H359 PolarHBondContact O-N 3.21Å
356	N	85.1	Confident	89.6	Confident	109 Å²	109	105.3 Å²	105.3	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-67.2	-38	175.5	-72.5	-7	0	0	0	112	A352 V353 H359 L360	A352-N356 WeakPolarHBondContact O-CB 3.39Å; A352-N356 VanDerWaalsContact O-CG 3.24Å; A352-N356 PolarHBondContact O-N 2.94Å; V353-N356 PolarHBondContact O-N 3.35Å; N356-H359 PolarHBondContact O-N 3.45Å; N356-L360 WeakPolarHBondContact O-CB 3.39Å; N356-L360 PolarHBondContact O-N 3.09Å
357	A	91.2	Very high	89.5	Confident	52 Å²	52	107.5 Å²	107.5	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-42.5	173.7	0	0	0	0	0	111.9	V353 L354 L360 L361	V353-A357 WeakPolarHBondContact O-CB 3.36Å; V353-A357 PolarHBondContact O-N 2.88Å; L354-A357 PolarHBondContact O-N 3.13Å; A357-L360 PolarHBondContact O-N 3.27Å; A357-L361 VanDerWaalsContact O-CB 3.28Å; A357-L361 WeakPolarHBondContact O-CB 3.24Å; A357-L361 PolarHBondContact O-N 3.25Å
358	I	93.6	Very high	89.5	Confident	107 Å²	107	104.5 Å²	104.5	55%	0.549	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-43.8	174.5	-69.4	163.8	0	0	0	111.1	L354 R355 L361 W362	L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 VanDerWaalsContact O-CG1 3.28Å; L354-I358 WeakPolarHBondContact O-CG1 3.44Å; L354-I358 PolarHBondContact O-N 3.46Å; R355-I358 PolarHBondContact O-N 2.95Å; I358-L361 PolarHBondContact O-N 3.29Å; I358-W362 WeakPolarHBondContact O-CB 3.42Å; I358-W362 PolarHBondContact O-N 3.08Å
359	H	89.1	Confident	89.5	Confident	102 Å²	102	102.7 Å²	102.7	47%	0.472	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-39.6	175.8	-77.1	-56.6	0	0	0	112.7	R355 N356 F363	R355-H359 PolarHBondContact O-CD2 3.21Å; R355-H359 PolarHBondContact O-N 3.21Å; N356-H359 PolarHBondContact O-N 3.45Å; H359-F363 WeakPolarHBondContact O-CB 3.33Å; H359-F363 PolarHBondContact O-N 3.43Å
360	L	89.7	Confident	89.1	Confident	114 Å²	114	101.3 Å²	101.3	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-44.8	175.2	-178.9	64.3	0	0	0	111.5	N356 A357 W362 F363 V364	N356-L360 WeakPolarHBondContact O-CB 3.39Å; N356-L360 PolarHBondContact O-N 3.09Å; A357-L360 PolarHBondContact O-N 3.27Å; L360-W362 PolarHBondContact O-N 3.34Å; L360-F363 WeakPolarHBondContact O-CB 3.42Å; L360-F363 PolarHBondContact O-N 2.9Å; L360-V364 WeakPolarHBondContact O-CG2 3.34Å; L360-V364 PolarHBondContact O-N 3.45Å
361	L	90.9	Very high	88.7	Confident	130 Å²	130	99.1 Å²	99.1	68%	0.681	52%	0.518	S	S	*	.	H	α-helix	trans	-67.3	-37	-179.5	-160.5	150.1	0	0	0	111.3	A357 I358 A365	A357-L361 VanDerWaalsContact O-CB 3.28Å; A357-L361 WeakPolarHBondContact O-CB 3.24Å; A357-L361 PolarHBondContact O-N 3.25Å; I358-L361 PolarHBondContact O-N 3.29Å; L361-A365 VanDerWaalsContact O-CB 3.3Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.49Å
362	W	92.9	Very high	88.4	Confident	182 Å²	182	100.2 Å²	100.2	69%	0.689	52%	0.524	S	S	*	.	H	α-helix	trans	-63.8	-42.9	169.2	175.5	-102.2	0	0	0	112.8	I358 L360 A365 K366	I358-W362 WeakPolarHBondContact O-CB 3.42Å; I358-W362 PolarHBondContact O-N 3.08Å; L360-W362 PolarHBondContact O-N 3.34Å; W362-A365 PolarHBondContact O-N 2.93Å; W362-K366 WeakPolarHBondContact O-CB 3.39Å; W362-K366 PolarHBondContact O-N 2.86Å
363	F	89.8	Confident	88	Confident	128 Å²	128	104.2 Å²	104.2	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-62.2	-47.6	177.3	-179.4	-90	0	0	0	111.6	H359 L360 K366 Q367	H359-F363 WeakPolarHBondContact O-CB 3.33Å; H359-F363 PolarHBondContact O-N 3.43Å; L360-F363 WeakPolarHBondContact O-CB 3.42Å; L360-F363 PolarHBondContact O-N 2.9Å; F363-K366 PolarHBondContact O-N 3.48Å; F363-Q367 WeakPolarHBondContact O-CB 3.47Å; F363-Q367 PolarHBondContact O-N 2.83Å
364	V	91.6	Very high	87.3	Confident	73 Å²	73	102.2 Å²	102.2	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-45.3	175.9	172.4	0	0	0	0	110.9	L360 K366 Q367 V368	L360-V364 WeakPolarHBondContact O-CG2 3.34Å; L360-V364 PolarHBondContact O-N 3.45Å; V364-K366 PolarHBondContact O-N 2.81Å; V364-Q367 PolarHBondContact O-N 3.36Å; V364-V368 HydrophobicContact CG1-CG2 4.44Å; V364-V368 WeakPolarHBondContact O-CG2 3.33Å; V364-V368 PolarHBondContact O-N 2.74Å
365	A	89.7	Confident	86.6	Confident	41 Å²	41	100.7 Å²	100.7	34%	0.339	52%	0.522	S	S	.	.	H	α-helix	trans	-58.9	-44.7	176.7	0	0	0	0	0	112.1	L361 W362 V368 I369	L361-A365 VanDerWaalsContact O-CB 3.3Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.49Å; W362-A365 PolarHBondContact O-N 2.93Å; A365-V368 PolarHBondContact O-N 2.93Å; A365-I369 VanDerWaalsContact O-CG1 3.28Å; A365-I369 WeakPolarHBondContact O-CG1 3.21Å; A365-I369 PolarHBondContact O-N 3.09Å
366	K	87.8	Confident	86.1	Confident	121 Å²	121	98.4 Å²	98.4	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-42.1	175.6	-173.3	175.7	-179.5	-179.6	0	112	W362 F363 V364 V368 I369 N370	W362-K366 WeakPolarHBondContact O-CB 3.39Å; W362-K366 PolarHBondContact O-N 2.86Å; F363-K366 PolarHBondContact O-N 3.48Å; V364-K366 PolarHBondContact O-N 2.81Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.93Å; K366-I369 PolarHBondContact O-N 3.13Å; K366-N370 WeakPolarHBondContact O-CB 3.26Å; K366-N370 PolarHBondContact O-N 3.49Å; K366-N370 PolarHBondContact O-OD1 3.31Å; K366-N370 VanDerWaalsContact O-OD1 3.05Å
367	Q	83.4	Confident	85.7	Confident	127 Å²	127	102 Å²	102	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-64.7	-38.6	178.3	-166.5	173.5	17.2	0	0	112	F363 V364 G371	F363-Q367 WeakPolarHBondContact O-CB 3.47Å; F363-Q367 PolarHBondContact O-N 2.83Å; V364-Q367 PolarHBondContact O-N 3.36Å; Q367-G371 PolarHBondContact O-N 2.81Å
368	V	90.1	Very high	84.9	Confident	83 Å²	83	107.9 Å²	107.9	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-45	174.3	170.4	0	0	0	0	111.6	V364 A365 K366 G371 I372	V364-V368 HydrophobicContact CG1-CG2 4.44Å; V364-V368 WeakPolarHBondContact O-CG2 3.33Å; V364-V368 PolarHBondContact O-N 2.74Å; A365-V368 PolarHBondContact O-N 2.93Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.93Å; V368-G371 PolarHBondContact O-N 2.7Å; V368-I372 HydrophobicContact CG1-CD1 3.75Å; V368-I372 HydrophobicContact CG1-CG1 4.45Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.25Å
369	I	87.2	Confident	84.1	Confident	105 Å²	105	108.4 Å²	108.4	54%	0.538	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-52.4	177.7	-69.8	163.6	0	0	0	110.7	A365 K366 G371 I372 E373	A365-I369 VanDerWaalsContact O-CG1 3.28Å; A365-I369 WeakPolarHBondContact O-CG1 3.21Å; A365-I369 PolarHBondContact O-N 3.09Å; K366-I369 PolarHBondContact O-N 3.13Å; I369-G371 PolarHBondContact O-N 3.04Å; I369-I372 PolarHBondContact O-N 2.69Å; I369-I372 VanDerWaalsContact O-N 3.16Å; I369-E373 WeakPolarHBondContact O-CB 3.47Å; I369-E373 PolarHBondContact O-N 3.45Å
370	N	80.4	Confident	83.4	Confident	84 Å²	84	105.2 Å²	105.2	45%	0.449	54%	0.537	S	S	.	.	H	α-helix	trans	-59.6	-35	177.5	-74.5	42.8	0	0	0	112.3	K366 S374	K366-N370 WeakPolarHBondContact O-CB 3.26Å; K366-N370 PolarHBondContact O-N 3.49Å; K366-N370 PolarHBondContact O-OD1 3.31Å; K366-N370 VanDerWaalsContact O-OD1 3.05Å; N370-S374 WeakPolarHBondContact O-CB 3.46Å; N370-S374 PolarHBondContact O-N 2.98Å
371	G	81.9	Confident	82.6	Confident	42 Å²	42	102.1 Å²	102.1	43%	0.433	53%	0.528	S	S	.	.	H	α-helix	trans	-67.2	-43.4	175.3	0	0	0	0	0	113.1	Q367 V368 I369 C375	Q367-G371 PolarHBondContact O-N 2.81Å; V368-G371 PolarHBondContact O-N 2.7Å; I369-G371 PolarHBondContact O-N 3.04Å; G371-C375 VanDerWaalsContact O-CB 3.28Å; G371-C375 WeakPolarHBondContact O-CB 3.29Å; G371-C375 PolarHBondContact O-N 3.42Å
372	I	84	Confident	81.9	Confident	95 Å²	95	98.9 Å²	98.9	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-65	-44.8	175.8	-68.9	166.6	0	0	0	110.4	V368 I369 C375 L376	V368-I372 HydrophobicContact CG1-CD1 3.75Å; V368-I372 HydrophobicContact CG1-CG1 4.45Å; V368-I372 WeakPolarHBondContact O-CG1 3.4Å; V368-I372 PolarHBondContact O-N 3.25Å; I369-I372 PolarHBondContact O-N 2.69Å; I369-I372 VanDerWaalsContact O-N 3.16Å; I372-C375 WeakPolarHBondContact O-CB 3.38Å; I372-C375 PolarHBondContact O-N 3.28Å; I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.34Å; I372-L376 WeakPolarHBondContact O-CB 3.41Å; I372-L376 WeakPolarHBondContact O-CG 3.3Å; I372-L376 PolarHBondContact O-N 3.33Å
373	E	78.8	Confident	81.1	Confident	129 Å²	129	94 Å²	94	60%	0.603	51%	0.511	S	S	*	.	H	α-helix	trans	-60.8	-47.5	177.4	-173.7	175.2	-164.8	0	0	111.7	I369 C375 L376 Y377	I369-E373 WeakPolarHBondContact O-CB 3.47Å; I369-E373 PolarHBondContact O-N 3.45Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.24Å; E373-L376 PolarHBondContact O-N 2.89Å; E373-Y377 WeakPolarHBondContact O-CB 3.34Å; E373-Y377 PolarHBondContact O-N 3.01Å
374	S	76.4	Confident	80.6	Confident	51 Å²	51	92.1 Å²	92.1	36%	0.357	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-36.1	175.4	-166.6	0	0	0	0	112.5	N370 R378	N370-S374 WeakPolarHBondContact O-CB 3.46Å; N370-S374 PolarHBondContact O-N 2.98Å; S374-R378 WeakPolarHBondContact O-CB 3.3Å; S374-R378 VanDerWaalsContact O-CG 3.23Å; S374-R378 WeakPolarHBondContact O-CG 3.37Å; S374-R378 PolarHBondContact O-N 3.48Å; S374-R378 PolarHBondContact OG-NE 2.8Å
375	C	76.7	Confident	79.9	Confident	77 Å²	77	92.4 Å²	92.4	52%	0.52	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-49.3	176	-171	0	0	0	0	111.6	G371 I372 E373 Y377 R378 L379	G371-C375 VanDerWaalsContact O-CB 3.28Å; G371-C375 WeakPolarHBondContact O-CB 3.29Å; G371-C375 PolarHBondContact O-N 3.42Å; I372-C375 WeakPolarHBondContact O-CB 3.38Å; I372-C375 PolarHBondContact O-N 3.28Å; E373-C375 VanDerWaalsContact C-N 3.31Å; E373-C375 PolarHBondContact O-N 3.24Å; C375-Y377 VanDerWaalsContact C-N 3.35Å; C375-Y377 PolarHBondContact O-N 3.05Å; C375-R378 PolarHBondContact O-N 3.36Å; C375-L379 WeakPolarHBondContact O-CB 3.08Å; C375-L379 PolarHBondContact O-N 2.92Å
376	L	78	Confident	79.5	Confident	115 Å²	115	98.3 Å²	98.3	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-61.5	-41.2	177	-71.3	171.8	0	0	0	111.8	I372 E373 L379 G380	I372-L376 HydrophobicContact CG2-CD1 3.85Å; I372-L376 HydrophobicContact CG2-CG 4.34Å; I372-L376 WeakPolarHBondContact O-CB 3.41Å; I372-L376 WeakPolarHBondContact O-CG 3.3Å; I372-L376 PolarHBondContact O-N 3.33Å; E373-L376 PolarHBondContact O-N 2.89Å; L376-L379 PolarHBondContact O-N 3.21Å; L376-G380 PolarHBondContact O-N 2.96Å
377	Y	77.3	Confident	79	Confident	183 Å²	183	97.9 Å²	97.9	72%	0.718	53%	0.533	S	S	*	.	H	α-helix	trans	-62.1	-45.3	175.8	-172.3	-93.7	0	0	0	112	E373 C375 G380 A381	E373-Y377 WeakPolarHBondContact O-CB 3.34Å; E373-Y377 PolarHBondContact O-N 3.01Å; C375-Y377 VanDerWaalsContact C-N 3.35Å; C375-Y377 PolarHBondContact O-N 3.05Å; Y377-G380 PolarHBondContact O-N 3Å; Y377-A381 VanDerWaalsContact O-CB 3.28Å; Y377-A381 WeakPolarHBondContact O-CB 3.26Å; Y377-A381 PolarHBondContact O-N 2.99Å
378	R	74	Confident	78.8	Confident	177 Å²	177	95.6 Å²	95.6	67%	0.668	53%	0.527	S	S	*	.	H	α-helix	trans	-63	-42.6	175.6	-71	170.1	-164.8	-118.6	3.9	112.1	S374 C375 A381 A382	S374-R378 WeakPolarHBondContact O-CB 3.3Å; S374-R378 VanDerWaalsContact O-CG 3.23Å; S374-R378 WeakPolarHBondContact O-CG 3.37Å; S374-R378 PolarHBondContact O-N 3.48Å; S374-R378 PolarHBondContact OG-NE 2.8Å; C375-R378 PolarHBondContact O-N 3.36Å; R378-A381 PolarHBondContact O-N 3.42Å; R378-A382 WeakPolarHBondContact O-CB 3.29Å; R378-A382 PolarHBondContact O-N 2.94Å
379	L	76.9	Confident	78.1	Confident	117 Å²	117	94 Å²	94	61%	0.613	52%	0.523	S	S	*	.	H	α-helix	trans	-65.2	-41.9	178.8	-142.2	82.2	0	0	0	111.6	C375 L376 T383	C375-L379 WeakPolarHBondContact O-CB 3.08Å; C375-L379 PolarHBondContact O-N 2.92Å; L376-L379 PolarHBondContact O-N 3.21Å; L379-T383 WeakPolarHBondContact O-CB 3.19Å; L379-T383 PolarHBondContact O-N 2.95Å; L379-T383 PolarHBondContact O-OG1 3.37Å
380	G	74.4	Confident	77.5	Confident	35 Å²	35	92.8 Å²	92.8	36%	0.361	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-49.7	174.5	0	0	0	0	0	112.1	L376 Y377 A382 T383 V384	L376-G380 PolarHBondContact O-N 2.96Å; Y377-G380 PolarHBondContact O-N 3Å; G380-A382 PolarHBondContact O-N 3.41Å; G380-T383 PolarHBondContact O-N 2.91Å; G380-V384 WeakPolarHBondContact O-CG2 3.45Å; G380-V384 PolarHBondContact O-N 3.5Å
381	A	73.4	Confident	77.4	Confident	49 Å²	49	90.4 Å²	90.4	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-60.1	-43.6	178.6	0	0	0	0	0	112.7	Y377 R378 V384 S385	Y377-A381 VanDerWaalsContact O-CB 3.28Å; Y377-A381 WeakPolarHBondContact O-CB 3.26Å; Y377-A381 PolarHBondContact O-N 2.99Å; R378-A381 PolarHBondContact O-N 3.42Å; A381-V384 PolarHBondContact O-N 2.83Å; A381-S385 VanDerWaalsContact O-CB 3.3Å; A381-S385 WeakPolarHBondContact O-CB 3.35Å; A381-S385 PolarHBondContact O-N 2.97Å
382	A	74.6	Confident	77	Confident	63 Å²	63	95 Å²	95	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.1	0	0	0	0	0	112	R378 G380 S385 Y386	R378-A382 WeakPolarHBondContact O-CB 3.29Å; R378-A382 PolarHBondContact O-N 2.94Å; G380-A382 PolarHBondContact O-N 3.41Å; A382-S385 PolarHBondContact O-N 2.84Å; A382-Y386 WeakPolarHBondContact O-CB 3.41Å; A382-Y386 PolarHBondContact O-N 3.21Å
383	T	76.5	Confident	76.5	Confident	79 Å²	79	95.6 Å²	95.6	49%	0.485	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-43.8	178.4	-57.2	0	0	0	0	111.8	L379 G380 Y386 L387	L379-T383 WeakPolarHBondContact O-CB 3.19Å; L379-T383 PolarHBondContact O-N 2.95Å; L379-T383 PolarHBondContact O-OG1 3.37Å; G380-T383 PolarHBondContact O-N 2.91Å; T383-Y386 PolarHBondContact O-N 2.94Å; T383-L387 HydrophobicContact CG2-CD1 4.23Å; T383-L387 WeakPolarHBondContact O-CG 3.47Å; T383-L387 PolarHBondContact O-N 3.39Å
384	V	78.6	Confident	76.4	Confident	88 Å²	88	95.5 Å²	95.5	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-44.4	175.8	170.3	0	0	0	0	110.8	G380 A381 Y386 L387 V388	G380-V384 WeakPolarHBondContact O-CG2 3.45Å; G380-V384 PolarHBondContact O-N 3.5Å; A381-V384 PolarHBondContact O-N 2.83Å; V384-Y386 VanDerWaalsContact C-N 3.34Å; V384-Y386 PolarHBondContact O-N 3.32Å; V384-L387 PolarHBondContact O-N 3.27Å; V384-V388 HydrophobicContact CG1-CG2 4.33Å; V384-V388 WeakPolarHBondContact O-CG2 3.28Å; V384-V388 PolarHBondContact O-N 3.5Å
385	S	76.9	Confident	76.3	Confident	80 Å²	80	98 Å²	98	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-58.1	-44.9	175.9	-175.7	0	0	0	0	111.9	A381 A382 L387 V388 A389	A381-S385 VanDerWaalsContact O-CB 3.3Å; A381-S385 WeakPolarHBondContact O-CB 3.35Å; A381-S385 PolarHBondContact O-N 2.97Å; A382-S385 PolarHBondContact O-N 2.84Å; S385-L387 PolarHBondContact O-N 2.94Å; S385-V388 PolarHBondContact O-N 3.14Å; S385-A389 WeakPolarHBondContact O-CB 3.21Å; S385-A389 PolarHBondContact O-N 2.94Å
386	Y	81.8	Confident	76.1	Confident	164 Å²	164	95.1 Å²	95.1	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177.2	-166.2	-111	0	0	0	112.8	A382 T383 V384 A389 I390	A382-Y386 WeakPolarHBondContact O-CB 3.41Å; A382-Y386 PolarHBondContact O-N 3.21Å; T383-Y386 PolarHBondContact O-N 2.94Å; V384-Y386 VanDerWaalsContact C-N 3.34Å; V384-Y386 PolarHBondContact O-N 3.32Å; Y386-A389 PolarHBondContact O-N 2.79Å; Y386-I390 HydrophobicContact CD1-CD1 3.76Å; Y386-I390 HydrophobicContact CE1-CD1 3.5Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.5Å; Y386-I390 WeakPolarHBondContact O-CG1 3.41Å; Y386-I390 PolarHBondContact O-N 3.26Å
387	L	78	Confident	76	Confident	113 Å²	113	94.5 Å²	94.5	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-67.1	-37.7	175	-70.9	170.7	0	0	0	112.6	T383 V384 S385 G391	T383-L387 HydrophobicContact CG2-CD1 4.23Å; T383-L387 WeakPolarHBondContact O-CG 3.47Å; T383-L387 PolarHBondContact O-N 3.39Å; V384-L387 PolarHBondContact O-N 3.27Å; S385-L387 PolarHBondContact O-N 2.94Å; L387-G391 PolarHBondContact O-N 2.89Å
388	V	78.6	Confident	76.2	Confident	79 Å²	79	89.6 Å²	89.6	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-66.4	-44	175	169.6	0	0	0	0	111	V384 S385 G391 Q392	V384-V388 HydrophobicContact CG1-CG2 4.33Å; V384-V388 WeakPolarHBondContact O-CG2 3.28Å; V384-V388 PolarHBondContact O-N 3.5Å; S385-V388 PolarHBondContact O-N 3.14Å; V388-G391 PolarHBondContact O-N 3.04Å; V388-G391 VanDerWaalsContact O-N 3.16Å; V388-Q392 WeakPolarHBondContact O-CG 3.38Å; V388-Q392 PolarHBondContact O-N 3.4Å
389	A	75.7	Confident	76.3	Confident	50 Å²	50	89.2 Å²	89.2	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-44.4	176.5	0	0	0	0	0	112.2	S385 Y386 G391 Q392 E393	S385-A389 WeakPolarHBondContact O-CB 3.21Å; S385-A389 PolarHBondContact O-N 2.94Å; Y386-A389 PolarHBondContact O-N 2.79Å; A389-G391 VanDerWaalsContact C-N 3.34Å; A389-G391 PolarHBondContact O-N 3.33Å; A389-Q392 PolarHBondContact O-N 3.4Å; A389-E393 PolarHBondContact O-N 2.97Å
390	I	75.8	Confident	76.6	Confident	79 Å²	79	89.3 Å²	89.3	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-59	-46.3	172.1	-71.8	169.4	0	0	0	110.4	Y386 Q392 E393 L394	Y386-I390 HydrophobicContact CD1-CD1 3.76Å; Y386-I390 HydrophobicContact CE1-CD1 3.5Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.5Å; Y386-I390 WeakPolarHBondContact O-CG1 3.41Å; Y386-I390 PolarHBondContact O-N 3.26Å; I390-Q392 PolarHBondContact O-N 3.31Å; I390-E393 PolarHBondContact O-N 2.98Å; I390-L394 WeakPolarHBondContact O-CB 3.28Å; I390-L394 PolarHBondContact O-N 2.73Å
391	G	77.4	Confident	77.1	Confident	34 Å²	34	91.8 Å²	91.8	35%	0.351	51%	0.51	S	S	.	.	H	α-helix	trans	-59.1	-42.1	178.2	0	0	0	0	0	113.4	L387 V388 A389 L394 V395	L387-G391 PolarHBondContact O-N 2.89Å; V388-G391 PolarHBondContact O-N 3.04Å; V388-G391 VanDerWaalsContact O-N 3.16Å; A389-G391 VanDerWaalsContact C-N 3.34Å; A389-G391 PolarHBondContact O-N 3.33Å; G391-L394 PolarHBondContact O-N 2.89Å; G391-V395 WeakPolarHBondContact O-CB 3.23Å; G391-V395 WeakPolarHBondContact O-CG2 3.34Å; G391-V395 PolarHBondContact O-N 3.16Å
392	Q	72.6	Confident	77.8	Confident	137 Å²	137	94.1 Å²	94.1	64%	0.64	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-45.3	178.2	-76.7	-179.9	-39.7	0	0	112.4	V388 A389 I390 G396	V388-Q392 WeakPolarHBondContact O-CG 3.38Å; V388-Q392 PolarHBondContact O-N 3.4Å; A389-Q392 PolarHBondContact O-N 3.4Å; I390-Q392 PolarHBondContact O-N 3.31Å; Q392-G396 WeakPolarHBondContact O-CA 3.35Å; Q392-G396 PolarHBondContact O-N 3.08Å
393	E	73.9	Confident	78.4	Confident	109 Å²	109	97.8 Å²	97.8	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-72	-36.2	176.6	-75.3	-56.8	148.9	0	0	112.9	A389 I390 V395 G396 I397 K400	A389-E393 PolarHBondContact O-N 2.97Å; I390-E393 PolarHBondContact O-N 2.98Å; E393-V395 VanDerWaalsContact C-N 3.28Å; E393-V395 PolarHBondContact O-N 3.27Å; E393-G396 PolarHBondContact O-N 2.96Å; E393-I397 WeakPolarHBondContact O-CG1 3.47Å; E393-I397 PolarHBondContact O-N 3.32Å; E393-K400 IonicContact OE2-NZ 2.99Å; E393-K400 PolarHBondContact OE2-NZ 3.43Å
394	L	76.4	Confident	79	Confident	126 Å²	126	98.3 Å²	98.3	66%	0.66	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-31.9	177.2	-139.3	81.6	0	0	0	112.7	I390 G391 P398	I390-L394 WeakPolarHBondContact O-CB 3.28Å; I390-L394 PolarHBondContact O-N 2.73Å; G391-L394 PolarHBondContact O-N 2.89Å; L394-P398 WeakPolarHBondContact O-CD 3.46Å; L394-P398 WeakPolarHBondContact O-CG 3.28Å
395	V	74.5	Confident	79.5	Confident	105 Å²	105	97.4 Å²	97.4	64%	0.636	52%	0.517	S	S	*	.	H	α-helix	trans	-83.5	-34.2	172.4	173.5	0	0	0	0	111.5	G391 E393 I397 P398 W399	G391-V395 WeakPolarHBondContact O-CB 3.23Å; G391-V395 WeakPolarHBondContact O-CG2 3.34Å; G391-V395 PolarHBondContact O-N 3.16Å; E393-V395 VanDerWaalsContact C-N 3.28Å; E393-V395 PolarHBondContact O-N 3.27Å; V395-I397 VanDerWaalsContact C-N 3.35Å; V395-I397 PolarHBondContact O-N 3.12Å; V395-P398 WeakPolarHBondContact O-CD 3.48Å; V395-W399 WeakPolarHBondContact O-CB 3.47Å; V395-W399 PolarHBondContact O-N 3.5Å; V395-W399 VanDerWaalsContact O-N 3.16Å
396	G	73.4	Confident	80.1	Confident	16 Å²	16	95.8 Å²	95.8	17%	0.165	51%	0.508	C	S	.	.	H	α-helix	trans	-60.8	-38.5	178.9	0	0	0	0	0	113.4	Q392 E393 W399 K400	Q392-G396 WeakPolarHBondContact O-CA 3.35Å; Q392-G396 PolarHBondContact O-N 3.08Å; E393-G396 PolarHBondContact O-N 2.96Å; G396-W399 PolarHBondContact O-N 2.93Å; G396-K400 WeakPolarHBondContact O-CB 3.49Å; G396-K400 VanDerWaalsContact O-CD 3.28Å; G396-K400 WeakPolarHBondContact O-CD 3.47Å; G396-K400 WeakPolarHBondContact O-CG 3.31Å; G396-K400 PolarHBondContact O-N 3.28Å
397	I	75.2	Confident	80.5	Confident	102 Å²	102	94.8 Å²	94.8	52%	0.523	51%	0.508	S	S	.	.	H	α-helix	trans	-65.3	-54.8	-179.6	-67.4	163.5	0	0	0	112.2	E393 V395 W399 K400 V401	E393-I397 WeakPolarHBondContact O-CG1 3.47Å; E393-I397 PolarHBondContact O-N 3.32Å; V395-I397 VanDerWaalsContact C-N 3.35Å; V395-I397 PolarHBondContact O-N 3.12Å; I397-W399 VanDerWaalsContact C-N 3.28Å; I397-W399 PolarHBondContact O-N 2.95Å; I397-K400 PolarHBondContact O-N 3.04Å; I397-V401 WeakPolarHBondContact O-CG2 3.48Å; I397-V401 PolarHBondContact O-N 2.87Å
398	P	81.5	Confident	81.1	Confident	79 Å²	79	93.1 Å²	93.1	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-55.5	-39.2	172	-27	34.6	0	0	0	113.6	L394 V395 V401 L402	L394-P398 WeakPolarHBondContact O-CD 3.46Å; L394-P398 WeakPolarHBondContact O-CG 3.28Å; V395-P398 WeakPolarHBondContact O-CD 3.48Å; P398-V401 PolarHBondContact O-N 3.36Å; P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.45Å
399	W	77.2	Confident	81.7	Confident	170 Å²	170	94.3 Å²	94.3	64%	0.644	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-41.4	179	-170	-114.5	0	0	0	112.6	V395 G396 I397 L402 K403	V395-W399 WeakPolarHBondContact O-CB 3.47Å; V395-W399 PolarHBondContact O-N 3.5Å; V395-W399 VanDerWaalsContact O-N 3.16Å; G396-W399 PolarHBondContact O-N 2.93Å; I397-W399 VanDerWaalsContact C-N 3.28Å; I397-W399 PolarHBondContact O-N 2.95Å; W399-L402 HydrophobicContact CE3-CD2 4Å; W399-L402 HydrophobicContact CZ3-CD2 3.98Å; W399-L402 PolarHBondContact O-N 3.49Å; W399-K403 WeakPolarHBondContact O-CB 3.39Å; W399-K403 PolarHBondContact O-N 3.04Å
400	K	81.4	Confident	82.3	Confident	119 Å²	119	99.8 Å²	99.8	52%	0.517	51%	0.514	S	S	.	.	H	α-helix	trans	-59.7	-44.6	172.7	-71.2	158.8	-170.1	167.7	0	110.4	E393 G396 I397 K403 V404	E393-K400 IonicContact OE2-NZ 2.99Å; E393-K400 PolarHBondContact OE2-NZ 3.43Å; G396-K400 WeakPolarHBondContact O-CB 3.49Å; G396-K400 VanDerWaalsContact O-CD 3.28Å; G396-K400 WeakPolarHBondContact O-CD 3.47Å; G396-K400 WeakPolarHBondContact O-CG 3.31Å; G396-K400 PolarHBondContact O-N 3.28Å; I397-K400 PolarHBondContact O-N 3.04Å; K400-K403 PolarHBondContact O-N 2.96Å; K400-V404 PolarHBondContact O-N 2.91Å
401	V	85.2	Confident	83	Confident	86 Å²	86	98.3 Å²	98.3	52%	0.521	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-47.4	175.8	174.4	0	0	0	0	111.9	I397 P398 K403 V404 V405	I397-V401 WeakPolarHBondContact O-CG2 3.48Å; I397-V401 PolarHBondContact O-N 2.87Å; P398-V401 PolarHBondContact O-N 3.36Å; V401-K403 VanDerWaalsContact C-N 3.29Å; V401-K403 PolarHBondContact O-N 3.23Å; V401-V404 WeakPolarHBondContact O-CB 3.41Å; V401-V404 PolarHBondContact O-N 2.9Å; V401-V405 HydrophobicContact CG1-CG2 4.33Å; V401-V405 WeakPolarHBondContact O-CG2 3.46Å; V401-V405 PolarHBondContact O-N 2.87Å
402	L	88.9	Confident	83.7	Confident	99 Å²	99	101.8 Å²	101.8	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-58.8	-40.1	178.5	-175.8	64.1	0	0	0	111.8	P398 W399 V404 V405 A406	P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.45Å; W399-L402 HydrophobicContact CE3-CD2 4Å; W399-L402 HydrophobicContact CZ3-CD2 3.98Å; W399-L402 PolarHBondContact O-N 3.49Å; L402-V404 VanDerWaalsContact C-N 3.3Å; L402-V404 PolarHBondContact O-N 3.4Å; L402-V405 PolarHBondContact O-N 3.16Å; L402-A406 WeakPolarHBondContact O-CB 3.33Å; L402-A406 PolarHBondContact O-N 2.92Å
403	K	86.7	Confident	84.5	Confident	139 Å²	139	100.8 Å²	100.8	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-32	175.7	-165.3	173.1	-174.3	176.3	0	112.5	W399 K400 V401 K407	W399-K403 WeakPolarHBondContact O-CB 3.39Å; W399-K403 PolarHBondContact O-N 3.04Å; K400-K403 PolarHBondContact O-N 2.96Å; V401-K403 VanDerWaalsContact C-N 3.29Å; V401-K403 PolarHBondContact O-N 3.23Å; K403-K407 WeakPolarHBondContact O-CG 3.4Å; K403-K407 PolarHBondContact O-N 3.38Å
404	V	89.9	Confident	85.3	Confident	90 Å²	90	104.4 Å²	104.4	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-74.2	-47.8	172.6	174.5	0	0	0	0	111	K400 V401 L402 A406 K407 V408	K400-V404 PolarHBondContact O-N 2.91Å; V401-V404 WeakPolarHBondContact O-CB 3.41Å; V401-V404 PolarHBondContact O-N 2.9Å; L402-V404 VanDerWaalsContact C-N 3.3Å; L402-V404 PolarHBondContact O-N 3.4Å; V404-A406 VanDerWaalsContact C-N 3.3Å; V404-A406 PolarHBondContact O-N 3.05Å; V404-K407 WeakPolarHBondContact O-CA 3.37Å; V404-K407 WeakPolarHBondContact O-CB 3.49Å; V404-K407 PolarHBondContact O-N 3.09Å; V404-V408 HydrophobicContact CG1-CG2 4.49Å; V404-V408 PolarHBondContact O-N 2.62Å
405	V	89.7	Confident	85.9	Confident	69 Å²	69	103 Å²	103	42%	0.418	52%	0.524	S	S	.	.	H	α-helix	trans	-57.1	-43.6	177.4	172.2	0	0	0	0	111.1	V401 L402 K407 V408 I409	V401-V405 HydrophobicContact CG1-CG2 4.33Å; V401-V405 WeakPolarHBondContact O-CG2 3.46Å; V401-V405 PolarHBondContact O-N 2.87Å; L402-V405 PolarHBondContact O-N 3.16Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 3Å; V405-V408 PolarHBondContact O-N 3.32Å; V405-I409 HydrophobicContact CG1-CD1 3.73Å; V405-I409 HydrophobicContact CG1-CG1 4.34Å; V405-I409 WeakPolarHBondContact O-CG1 3.47Å; V405-I409 PolarHBondContact O-N 2.95Å
406	A	89.3	Confident	86.8	Confident	46 Å²	46	103.3 Å²	103.3	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-34.4	175.7	0	0	0	0	0	113.4	L402 V404 R410	L402-A406 WeakPolarHBondContact O-CB 3.33Å; L402-A406 PolarHBondContact O-N 2.92Å; V404-A406 VanDerWaalsContact C-N 3.3Å; V404-A406 PolarHBondContact O-N 3.05Å; A406-R410 WeakPolarHBondContact O-CB 3.36Å; A406-R410 PolarHBondContact O-N 3.32Å; A406-R410 VanDerWaalsContact O-N 3.13Å
407	K	88.6	Confident	87.5	Confident	144 Å²	144	106.3 Å²	106.3	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-67.5	-43.5	172.1	-77.5	-179.4	175.8	-172.8	0	111.5	K403 V404 V405 R410 A411	K403-K407 WeakPolarHBondContact O-CG 3.4Å; K403-K407 PolarHBondContact O-N 3.38Å; V404-K407 WeakPolarHBondContact O-CA 3.37Å; V404-K407 WeakPolarHBondContact O-CB 3.49Å; V404-K407 PolarHBondContact O-N 3.09Å; V405-K407 VanDerWaalsContact C-N 3.33Å; V405-K407 PolarHBondContact O-N 3Å; K407-R410 PolarHBondContact O-N 2.76Å; K407-A411 PolarHBondContact O-N 3.36Å
408	V	91.3	Very high	88.1	Confident	77 Å²	77	105.4 Å²	105.4	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-47.7	178.4	174.8	0	0	0	0	111.1	V404 V405 R410 A411 L412	V404-V408 HydrophobicContact CG1-CG2 4.49Å; V404-V408 PolarHBondContact O-N 2.62Å; V405-V408 PolarHBondContact O-N 3.32Å; V408-R410 VanDerWaalsContact C-N 3.3Å; V408-R410 PolarHBondContact O-N 2.96Å; V408-A411 WeakPolarHBondContact O-CB 3.46Å; V408-A411 PolarHBondContact O-N 2.94Å; V408-A411 VanDerWaalsContact O-N 3.09Å; V408-L412 HydrophobicContact CG1-CD1 4.05Å; V408-L412 HydrophobicContact CG1-CG 4.42Å; V408-L412 WeakPolarHBondContact O-CG 3.3Å; V408-L412 PolarHBondContact O-N 2.96Å
409	I	90.3	Very high	88.4	Confident	104 Å²	104	106 Å²	106	53%	0.533	54%	0.539	S	S	.	.	H	α-helix	trans	-57.7	-43.6	175.8	-67.8	169.1	0	0	0	110.8	V405 A411 L412 L413	V405-I409 HydrophobicContact CG1-CD1 3.73Å; V405-I409 HydrophobicContact CG1-CG1 4.34Å; V405-I409 WeakPolarHBondContact O-CG1 3.47Å; V405-I409 PolarHBondContact O-N 2.95Å; I409-A411 VanDerWaalsContact C-N 3.33Å; I409-A411 PolarHBondContact O-N 3.4Å; I409-L412 PolarHBondContact O-N 3.1Å; I409-L413 WeakPolarHBondContact O-CB 3.35Å; I409-L413 PolarHBondContact O-N 3.2Å
410	R	89	Confident	89	Confident	166 Å²	166	103 Å²	103	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-63.6	-35.2	176.9	-168.9	-175.9	-61.1	-179.2	-0.9	112.8	A406 K407 V408 R414	A406-R410 WeakPolarHBondContact O-CB 3.36Å; A406-R410 PolarHBondContact O-N 3.32Å; A406-R410 VanDerWaalsContact O-N 3.13Å; K407-R410 PolarHBondContact O-N 2.76Å; V408-R410 VanDerWaalsContact C-N 3.3Å; V408-R410 PolarHBondContact O-N 2.96Å; R410-R414 WeakPolarHBondContact O-CG 3.27Å; R410-R414 PolarHBondContact O-N 3.41Å
411	A	89.8	Confident	89.1	Confident	48 Å²	48	103.5 Å²	103.5	40%	0.397	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-46.4	174.8	0	0	0	0	0	111.7	K407 V408 I409 L413 R414 I415	K407-A411 PolarHBondContact O-N 3.36Å; V408-A411 WeakPolarHBondContact O-CB 3.46Å; V408-A411 PolarHBondContact O-N 2.94Å; V408-A411 VanDerWaalsContact O-N 3.09Å; I409-A411 VanDerWaalsContact C-N 3.33Å; I409-A411 PolarHBondContact O-N 3.4Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.05Å; A411-R414 WeakPolarHBondContact O-CB 3.46Å; A411-R414 PolarHBondContact O-N 3Å; A411-I415 WeakPolarHBondContact O-CG1 3.49Å; A411-I415 PolarHBondContact O-N 3.11Å
412	L	92.1	Very high	89.1	Confident	106 Å²	106	103.3 Å²	103.3	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-60	-41.3	175.5	-68.1	172.5	0	0	0	111.9	V408 I409 R414 I415 L416	V408-L412 HydrophobicContact CG1-CD1 4.05Å; V408-L412 HydrophobicContact CG1-CG 4.42Å; V408-L412 WeakPolarHBondContact O-CG 3.3Å; V408-L412 PolarHBondContact O-N 2.96Å; I409-L412 PolarHBondContact O-N 3.1Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.45Å; L412-I415 PolarHBondContact O-N 3.08Å; L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 PolarHBondContact O-N 3.38Å
413	L	90.4	Very high	89	Confident	117 Å²	117	103 Å²	103	61%	0.613	53%	0.534	S	S	*	.	H	α-helix	trans	-63.6	-37.5	176.6	-162.6	76.2	0	0	0	112.3	I409 A411 C417	I409-L413 WeakPolarHBondContact O-CB 3.35Å; I409-L413 PolarHBondContact O-N 3.2Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.05Å; L413-C417 VanDerWaalsContact O-CB 3.28Å; L413-C417 WeakPolarHBondContact O-CB 3.45Å; L413-C417 PolarHBondContact O-N 3.42Å
414	R	89.8	Confident	88.8	Confident	184 Å²	184	99.9 Å²	99.9	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-44.9	172	-76.1	178.2	174.9	-172.2	-2.1	111.7	R410 A411 L412 C417 C418	R410-R414 WeakPolarHBondContact O-CG 3.27Å; R410-R414 PolarHBondContact O-N 3.41Å; A411-R414 WeakPolarHBondContact O-CB 3.46Å; A411-R414 PolarHBondContact O-N 3Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 3.45Å; R414-C417 PolarHBondContact O-N 3.4Å; R414-C418 PolarHBondContact O-N 3.48Å; R414-C418 PolarHBondContact O-SG 2.9Å; R414-C418 VanDerWaalsContact O-SG 3.37Å
415	I	90.6	Very high	88.4	Confident	97 Å²	97	103.7 Å²	103.7	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-61.4	-46.7	178	-66.4	164.5	0	0	0	110.4	A411 L412 C417 C418 L419	A411-I415 WeakPolarHBondContact O-CG1 3.49Å; A411-I415 PolarHBondContact O-N 3.11Å; L412-I415 PolarHBondContact O-N 3.08Å; I415-C417 PolarHBondContact O-N 3Å; I415-C418 WeakPolarHBondContact O-CB 3.32Å; I415-C418 PolarHBondContact O-N 2.92Å; I415-L419 HydrophobicContact CG2-CD1 4.04Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 2.88Å
416	L	91.6	Very high	88	Confident	112 Å²	112	103.5 Å²	103.5	59%	0.586	54%	0.539	S	S	*	.	H	α-helix	trans	-61.9	-41.1	176.9	-175.7	62.8	0	0	0	112.1	L412 L419 L420	L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 PolarHBondContact O-N 3.38Å; L416-L419 PolarHBondContact O-N 3.24Å; L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 PolarHBondContact O-N 2.85Å
417	C	89.9	Confident	87.5	Confident	79 Å²	79	106.4 Å²	106.4	53%	0.534	55%	0.547	S	S	.	.	H	α-helix	trans	-63.7	-40.6	174.8	-173.8	0	0	0	0	112.1	L413 R414 I415 L420 K421	L413-C417 VanDerWaalsContact O-CB 3.28Å; L413-C417 WeakPolarHBondContact O-CB 3.45Å; L413-C417 PolarHBondContact O-N 3.42Å; R414-C417 PolarHBondContact O-N 3.4Å; I415-C417 PolarHBondContact O-N 3Å; C417-L420 PolarHBondContact O-N 3.29Å; C417-K421 VanDerWaalsContact O-CB 3.28Å; C417-K421 WeakPolarHBondContact O-CB 3.37Å; C417-K421 PolarHBondContact O-N 3.19Å
418	C	86.2	Confident	86.7	Confident	82 Å²	82	102.4 Å²	102.4	55%	0.554	54%	0.538	S	S	*	.	H	α-helix	trans	-63.5	-44.4	173.8	-73.1	0	0	0	0	112.3	R414 I415 K421 T422	R414-C418 PolarHBondContact O-N 3.48Å; R414-C418 PolarHBondContact O-SG 2.9Å; R414-C418 VanDerWaalsContact O-SG 3.37Å; I415-C418 WeakPolarHBondContact O-CB 3.32Å; I415-C418 PolarHBondContact O-N 2.92Å; C418-K421 PolarHBondContact O-N 3.06Å; C418-T422 PolarHBondContact O-N 2.96Å; C418-T422 PolarHBondContact O-OG1 3.45Å
419	L	88.7	Confident	85.9	Confident	93 Å²	93	104.4 Å²	104.4	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-63.6	-43.1	176.3	-72.2	169.5	0	0	0	112.1	I415 L416 K421 T422 I423	I415-L419 HydrophobicContact CG2-CD1 4.04Å; I415-L419 WeakPolarHBondContact O-CG 3.39Å; I415-L419 PolarHBondContact O-N 2.88Å; L416-L419 PolarHBondContact O-N 3.24Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.44Å; L419-T422 PolarHBondContact O-N 3.48Å; L419-T422 PolarHBondContact O-OG1 3.47Å; L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 WeakPolarHBondContact O-CD1 3.41Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.46Å; L419-I423 PolarHBondContact O-N 2.73Å
420	L	89.4	Confident	85.3	Confident	106 Å²	106	102.8 Å²	102.8	56%	0.555	54%	0.541	S	S	*	.	H	α-helix	trans	-60.9	-42.3	173.8	-175.8	62.2	0	0	0	110.7	L416 C417 T422 I423 C424	L416-L420 WeakPolarHBondContact O-CB 3.42Å; L416-L420 PolarHBondContact O-N 2.85Å; C417-L420 PolarHBondContact O-N 3.29Å; L420-T422 PolarHBondContact O-N 2.88Å; L420-I423 PolarHBondContact O-N 3.37Å; L420-C424 WeakPolarHBondContact O-CB 3.12Å; L420-C424 PolarHBondContact O-N 3.05Å; L420-C424 PolarHBondContact O-SG 3.38Å
421	K	84.1	Confident	84.5	Confident	130 Å²	130	100.6 Å²	100.6	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-67.5	-31.8	179.1	-166.4	171	-173.2	172.6	0	113.3	C417 C418 L419 R425	C417-K421 VanDerWaalsContact O-CB 3.28Å; C417-K421 WeakPolarHBondContact O-CB 3.37Å; C417-K421 PolarHBondContact O-N 3.19Å; C418-K421 PolarHBondContact O-N 3.06Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.44Å; K421-R425 WeakPolarHBondContact O-CB 3.37Å; K421-R425 VanDerWaalsContact O-CG 3.3Å; K421-R425 WeakPolarHBondContact O-CG 3.49Å; K421-R425 PolarHBondContact O-N 3.24Å
422	T	85.1	Confident	83.7	Confident	82 Å²	82	106.7 Å²	106.7	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-75.1	-41.3	172.2	53.2	0	0	0	0	111.8	C418 L419 L420 R425 A426	C418-T422 PolarHBondContact O-N 2.96Å; C418-T422 PolarHBondContact O-OG1 3.45Å; L419-T422 PolarHBondContact O-N 3.48Å; L419-T422 PolarHBondContact O-OG1 3.47Å; L420-T422 PolarHBondContact O-N 2.88Å; T422-R425 PolarHBondContact O-N 3.25Å; T422-A426 WeakPolarHBondContact O-CB 3.35Å; T422-A426 PolarHBondContact O-N 3.14Å
423	I	87.4	Confident	83	Confident	93 Å²	93	105.6 Å²	105.6	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-61.1	-48.3	175	-68.8	165	0	0	0	110.9	L419 L420 R425 A426 L427	L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 WeakPolarHBondContact O-CD1 3.41Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.46Å; L419-I423 PolarHBondContact O-N 2.73Å; L420-I423 PolarHBondContact O-N 3.37Å; I423-R425 VanDerWaalsContact C-N 3.29Å; I423-R425 PolarHBondContact O-N 2.92Å; I423-A426 PolarHBondContact O-N 3.36Å; I423-L427 HydrophobicContact CG2-CD1 3.79Å; I423-L427 HydrophobicContact CG2-CG 4.42Å; I423-L427 WeakPolarHBondContact O-CB 3.34Å; I423-L427 WeakPolarHBondContact O-CG 3.28Å; I423-L427 PolarHBondContact O-N 3.3Å
424	C	81.5	Confident	82.2	Confident	72 Å²	72	105.8 Å²	105.8	49%	0.486	55%	0.552	S	S	.	*	H	α-helix	trans	-60.4	-37.4	176.1	-68.8	0	0	0	0	112.4	L420 S428	L420-C424 WeakPolarHBondContact O-CB 3.12Å; L420-C424 PolarHBondContact O-N 3.05Å; L420-C424 PolarHBondContact O-SG 3.38Å; C424-S428 VanDerWaalsContact O-CB 3.26Å; C424-S428 WeakPolarHBondContact O-CB 3.33Å; C424-S428 PolarHBondContact O-N 3.37Å; C424-S428 PolarHBondContact O-OG 2.98Å
425	R	81.3	Confident	81.6	Confident	171 Å²	171	100.9 Å²	100.9	65%	0.645	54%	0.542	S	S	*	.	H	α-helix	trans	-66.1	-47.5	173.7	-81.2	174.8	166.8	-171.1	-6.3	111.9	K421 T422 I423 L427 S428	K421-R425 WeakPolarHBondContact O-CB 3.37Å; K421-R425 VanDerWaalsContact O-CG 3.3Å; K421-R425 WeakPolarHBondContact O-CG 3.49Å; K421-R425 PolarHBondContact O-N 3.24Å; T422-R425 PolarHBondContact O-N 3.25Å; I423-R425 VanDerWaalsContact C-N 3.29Å; I423-R425 PolarHBondContact O-N 2.92Å; R425-L427 VanDerWaalsContact C-N 3.32Å; R425-L427 PolarHBondContact O-N 3.26Å; R425-S428 PolarHBondContact O-N 3.38Å; R425-S428 PolarHBondContact O-OG 3.16Å
426	A	81.8	Confident	80.5	Confident	64 Å²	64	100.2 Å²	100.2	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-40.8	178.7	0	0	0	0	0	112.3	T422 I423 P430	T422-A426 WeakPolarHBondContact O-CB 3.35Å; T422-A426 PolarHBondContact O-N 3.14Å; I423-A426 PolarHBondContact O-N 3.36Å; A426-P430 WeakPolarHBondContact O-CD 3.37Å
427	L	78	Confident	79.6	Confident	107 Å²	107	99.6 Å²	99.6	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-74.3	-30.2	176.3	-68.4	172.2	0	0	0	113.3	I423 R425 I429 P430 L431	I423-L427 HydrophobicContact CG2-CD1 3.79Å; I423-L427 HydrophobicContact CG2-CG 4.42Å; I423-L427 WeakPolarHBondContact O-CB 3.34Å; I423-L427 WeakPolarHBondContact O-CG 3.28Å; I423-L427 PolarHBondContact O-N 3.3Å; R425-L427 VanDerWaalsContact C-N 3.32Å; R425-L427 PolarHBondContact O-N 3.26Å; L427-I429 PolarHBondContact O-N 3.41Å; L427-P430 VanDerWaalsContact O-CD 3.26Å; L427-P430 WeakPolarHBondContact O-CD 3.38Å; L427-P430 WeakPolarHBondContact O-CG 3.35Å; L427-L431 WeakPolarHBondContact O-CB 3.37Å; L427-L431 PolarHBondContact O-N 3.04Å; L427-L431 VanDerWaalsContact O-N 3.16Å
428	S	73.6	Confident	78.6	Confident	61 Å²	61	99 Å²	99	43%	0.427	54%	0.541	S	S	.	.	H	α-helix	trans	-64.7	-24.9	-178.9	70.5	0	0	0	0	114.2	C424 R425 R432	C424-S428 VanDerWaalsContact O-CB 3.26Å; C424-S428 WeakPolarHBondContact O-CB 3.33Å; C424-S428 PolarHBondContact O-N 3.37Å; C424-S428 PolarHBondContact O-OG 2.98Å; R425-S428 PolarHBondContact O-N 3.38Å; R425-S428 PolarHBondContact O-OG 3.16Å; S428-R432 VanDerWaalsContact O-CB 3.25Å; S428-R432 WeakPolarHBondContact O-CB 3.42Å; S428-R432 PolarHBondContact O-N 3.26Å
429	I	74.4	Confident	77.7	Confident	118 Å²	118	97.5 Å²	97.5	61%	0.605	53%	0.529	S	S	*	.	H	α-helix	trans	-68.7	-60.2	179.2	-62.2	167.6	0	0	0	111.1	L427 L431 R432 V433	L427-I429 PolarHBondContact O-N 3.41Å; I429-L431 VanDerWaalsContact C-N 3.29Å; I429-L431 PolarHBondContact O-N 3.46Å; I429-R432 PolarHBondContact O-N 2.91Å; I429-V433 WeakPolarHBondContact O-CG2 3.48Å; I429-V433 PolarHBondContact O-N 3.19Å; I429-V433 VanDerWaalsContact O-N 3.13Å
430	P	76	Confident	76.6	Confident	71 Å²	71	99.9 Å²	99.9	46%	0.461	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-31.7	176.3	25.7	-34.2	0	0	0	112.6	A426 L427 V433 L434	A426-P430 WeakPolarHBondContact O-CD 3.37Å; L427-P430 VanDerWaalsContact O-CD 3.26Å; L427-P430 WeakPolarHBondContact O-CD 3.38Å; L427-P430 WeakPolarHBondContact O-CG 3.35Å; P430-V433 PolarHBondContact O-N 2.83Å; P430-L434 WeakPolarHBondContact O-CB 3.37Å; P430-L434 PolarHBondContact O-N 3.39Å
431	L	73.7	Confident	75.4	Confident	119 Å²	119	98.1 Å²	98.1	62%	0.623	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-42	176.2	-138.6	85.8	0	0	0	112	L427 I429 L434 V435	L427-L431 WeakPolarHBondContact O-CB 3.37Å; L427-L431 PolarHBondContact O-N 3.04Å; L427-L431 VanDerWaalsContact O-N 3.16Å; I429-L431 VanDerWaalsContact C-N 3.29Å; I429-L431 PolarHBondContact O-N 3.46Å; L431-L434 WeakPolarHBondContact O-CB 3.25Å; L431-L434 PolarHBondContact O-N 3.2Å; L431-V435 WeakPolarHBondContact O-CG2 3.26Å; L431-V435 PolarHBondContact O-N 3.35Å
432	R	72.1	Confident	74.5	Confident	176 Å²	176	96.6 Å²	96.6	66%	0.664	53%	0.533	S	S	*	.	H	α-helix	trans	-63.2	-47	175.6	177.6	177.6	-70.7	-92.6	2.9	111	S428 I429 L434 V435 D436	S428-R432 VanDerWaalsContact O-CB 3.25Å; S428-R432 WeakPolarHBondContact O-CB 3.42Å; S428-R432 PolarHBondContact O-N 3.26Å; I429-R432 PolarHBondContact O-N 2.91Å; R432-L434 VanDerWaalsContact C-N 3.27Å; R432-L434 PolarHBondContact O-N 3.43Å; R432-V435 PolarHBondContact O-N 2.88Å; R432-D436 WeakPolarHBondContact CG-OD2 3.38Å; R432-D436 PolarHBondContact O-N 2.93Å
433	V	76.9	Confident	73.3	Confident	84 Å²	84	101.1 Å²	101.1	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-57.8	-40.3	175.7	174.7	0	0	0	0	111.5	I429 P430 D436 V437	I429-V433 WeakPolarHBondContact O-CG2 3.48Å; I429-V433 PolarHBondContact O-N 3.19Å; I429-V433 VanDerWaalsContact O-N 3.13Å; P430-V433 PolarHBondContact O-N 2.83Å; V433-D436 PolarHBondContact O-N 2.93Å; V433-V437 HydrophobicContact CG1-CG2 4.41Å; V433-V437 WeakPolarHBondContact O-CB 3.3Å; V433-V437 VanDerWaalsContact O-CG2 3.25Å; V433-V437 WeakPolarHBondContact O-CG2 3.44Å; V433-V437 PolarHBondContact O-N 3.02Å
434	L	74.5	Confident	72.1	Confident	120 Å²	120	99.9 Å²	99.9	63%	0.628	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-40.6	174.3	-105.8	158.7	0	0	0	113	P430 L431 R432 A438	P430-L434 WeakPolarHBondContact O-CB 3.37Å; P430-L434 PolarHBondContact O-N 3.39Å; L431-L434 WeakPolarHBondContact O-CB 3.25Å; L431-L434 PolarHBondContact O-N 3.2Å; R432-L434 VanDerWaalsContact C-N 3.27Å; R432-L434 PolarHBondContact O-N 3.43Å; L434-A438 VanDerWaalsContact O-CB 3.22Å; L434-A438 WeakPolarHBondContact O-CB 3.28Å; L434-A438 PolarHBondContact O-N 3.49Å
435	V	75.9	Confident	71.1	Confident	81 Å²	81	102.8 Å²	102.8	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-70.4	-40.2	176.7	171	0	0	0	0	111.8	L431 R432 A438 T439	L431-V435 WeakPolarHBondContact O-CG2 3.26Å; L431-V435 PolarHBondContact O-N 3.35Å; R432-V435 PolarHBondContact O-N 2.88Å; V435-A438 PolarHBondContact O-N 3.48Å; V435-T439 WeakPolarHBondContact O-CB 3.28Å; V435-T439 WeakPolarHBondContact O-CG2 3.38Å; V435-T439 PolarHBondContact O-N 3.16Å; V435-T439 PolarHBondContact O-OG1 3.45Å
436	D	67.6	Low	70.1	Confident	84 Å²	84	96.8 Å²	96.8	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-42	177.8	-63.1	-24.3	0	0	0	110.4	R432 V433 T439 F440	R432-D436 WeakPolarHBondContact CG-OD2 3.38Å; R432-D436 PolarHBondContact O-N 2.93Å; V433-D436 PolarHBondContact O-N 2.93Å; D436-T439 PolarHBondContact O-N 3.02Å; D436-T439 PolarHBondContact O-OG1 3.42Å; D436-F440 PolarHBondContact O-N 3.42Å; D436-F440 VanDerWaalsContact O-N 3.08Å
437	V	74.1	Confident	69.1	Low	99 Å²	99	96 Å²	96	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-39.8	172.3	169.9	0	0	0	0	111.9	V433 T439 P441	V433-V437 HydrophobicContact CG1-CG2 4.41Å; V433-V437 WeakPolarHBondContact O-CB 3.3Å; V433-V437 VanDerWaalsContact O-CG2 3.25Å; V433-V437 WeakPolarHBondContact O-CG2 3.44Å; V433-V437 PolarHBondContact O-N 3.02Å; V437-T439 VanDerWaalsContact C-N 3.33Å; V437-T439 PolarHBondContact O-N 3.23Å; V437-P441 WeakPolarHBondContact O-CD 3.49Å
438	A	68.8	Low	68.4	Low	66 Å²	66	95.3 Å²	95.3	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-71.7	-23.5	178.4	0	0	0	0	0	113.8	L434 V435	L434-A438 VanDerWaalsContact O-CB 3.22Å; L434-A438 WeakPolarHBondContact O-CB 3.28Å; L434-A438 PolarHBondContact O-N 3.49Å; V435-A438 PolarHBondContact O-N 3.48Å
439	T	66.3	Low	68	Low	50 Å²	50	96.5 Å²	96.5	31%	0.307	53%	0.533	S	S	.	.	H	α-helix	trans	-93.1	-18.8	177.9	50.2	0	0	0	0	113.7	V435 D436 V437 P441 V442 Y443	V435-T439 WeakPolarHBondContact O-CB 3.28Å; V435-T439 WeakPolarHBondContact O-CG2 3.38Å; V435-T439 PolarHBondContact O-N 3.16Å; V435-T439 PolarHBondContact O-OG1 3.45Å; D436-T439 PolarHBondContact O-N 3.02Å; D436-T439 PolarHBondContact O-OG1 3.42Å; V437-T439 VanDerWaalsContact C-N 3.33Å; V437-T439 PolarHBondContact O-N 3.23Å; T439-P441 VanDerWaalsContact C-CD 3.48Å; T439-V442 WeakPolarHBondContact O-CB 3.46Å; T439-V442 PolarHBondContact O-N 2.98Å; T439-Y443 WeakPolarHBondContact O-CD2 3.41Å; T439-Y443 PolarHBondContact O-N 2.81Å
440	F	65.7	Low	67.7	Low	143 Å²	143	95.8 Å²	95.8	63%	0.627	53%	0.53	S	S	*	.	H	α-helix	trans	-51.5	-41.7	175.4	-176.5	-93.3	0	0	0	114.8	D436 V442 T444	D436-F440 PolarHBondContact O-N 3.42Å; D436-F440 VanDerWaalsContact O-N 3.08Å; F440-V442 VanDerWaalsContact C-N 3.3Å; F440-V442 PolarHBondContact O-N 3.04Å; F440-T444 HydrophobicContact CE1-CG2 4.16Å; F440-T444 HydrophobicContact CZ-CG2 4.11Å; F440-T444 PolarHBondContact O-N 3.17Å; F440-T444 PolarHBondContact O-OG1 3.2Å
441	P	65.3	Low	67.4	Low	69 Å²	69	96.3 Å²	96.3	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-31.3	174.1	-21.8	34.5	0	0	0	113.5	V437 T439 T444 M445	V437-P441 WeakPolarHBondContact O-CD 3.49Å; T439-P441 VanDerWaalsContact C-CD 3.48Å; P441-T444 WeakPolarHBondContact CA-OG1 3.43Å; P441-T444 PolarHBondContact O-OG1 3.21Å; P441-M445 WeakPolarHBondContact O-CB 3.47Å; P441-M445 WeakPolarHBondContact O-CG 3.5Å; P441-M445 PolarHBondContact O-N 3.41Å
442	V	64.2	Low	67.2	Low	99 Å²	99	94.3 Å²	94.3	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-71.8	-45	-177.1	-174.3	0	0	0	0	110.4	T439 F440 G446	T439-V442 WeakPolarHBondContact O-CB 3.46Å; T439-V442 PolarHBondContact O-N 2.98Å; F440-V442 VanDerWaalsContact C-N 3.3Å; F440-V442 PolarHBondContact O-N 3.04Å; V442-G446 PolarHBondContact O-N 3.08Å
443	Y	59.9	Low	67.1	Low	177 Å²	177	92.7 Å²	92.7	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-38.1	177.5	-72.1	-69.6	0	0	0	113	T439 G446 A447	T439-Y443 WeakPolarHBondContact O-CD2 3.41Å; T439-Y443 PolarHBondContact O-N 2.81Å; Y443-G446 PolarHBondContact O-N 2.83Å; Y443-A447 PolarHBondContact O-N 2.93Å
444	T	61.9	Low	66.9	Low	66 Å²	66	93.3 Å²	93.3	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-43.9	176.6	43.1	0	0	0	0	112	F440 P441 G446 A447	F440-T444 HydrophobicContact CE1-CG2 4.16Å; F440-T444 HydrophobicContact CZ-CG2 4.11Å; F440-T444 PolarHBondContact O-N 3.17Å; F440-T444 PolarHBondContact O-OG1 3.2Å; P441-T444 WeakPolarHBondContact CA-OG1 3.43Å; P441-T444 PolarHBondContact O-OG1 3.21Å; T444-G446 VanDerWaalsContact C-N 3.31Å; T444-G446 PolarHBondContact O-N 3.21Å; T444-A447 PolarHBondContact O-N 3.29Å
445	M	60.1	Low	66.8	Low	133 Å²	133	92.3 Å²	92.3	66%	0.655	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-33.8	173.9	-71	-65.5	-69	0	0	112.9	P441 A447 I448 P449	P441-M445 WeakPolarHBondContact O-CB 3.47Å; P441-M445 WeakPolarHBondContact O-CG 3.5Å; P441-M445 PolarHBondContact O-N 3.41Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 2.95Å; M445-I448 HydrophobicContact SD-CD1 4.11Å; M445-P449 WeakPolarHBondContact O-CD 3.36Å
446	G	60.4	Low	66.6	Low	46 Å²	46	91.4 Å²	91.4	47%	0.474	52%	0.52	S	S	.	.	H	α-helix	trans	-68.9	-23.7	176.8	0	0	0	0	0	115	V442 Y443 T444	V442-G446 PolarHBondContact O-N 3.08Å; Y443-G446 PolarHBondContact O-N 2.83Å; T444-G446 VanDerWaalsContact C-N 3.31Å; T444-G446 PolarHBondContact O-N 3.21Å
447	A	61.3	Low	66.9	Low	46 Å²	46	92 Å²	92	38%	0.38	53%	0.527	S	S	.	.	H	α-helix	trans	-82.1	-30.4	-178.8	0	0	0	0	0	113.7	Y443 T444 M445 I450 V451	Y443-A447 PolarHBondContact O-N 2.93Å; T444-A447 PolarHBondContact O-N 3.29Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 2.95Å; A447-I450 PolarHBondContact O-N 3.44Å; A447-I450 VanDerWaalsContact O-N 3.14Å; A447-V451 PolarHBondContact O-N 3.49Å
448	I	64.4	Low	66.9	Low	94 Å²	94	89.2 Å²	89.2	48%	0.482	52%	0.517	S	S	.	.	H	α-helix	trans	-55.5	-47.1	-174.2	-64	167	0	0	0	112.8	M445 I450 V451 C452	M445-I448 HydrophobicContact SD-CD1 4.11Å; I448-I450 VanDerWaalsContact C-N 3.25Å; I448-I450 PolarHBondContact O-N 2.84Å; I448-V451 PolarHBondContact O-N 3.22Å; I448-C452 PolarHBondContact O-N 3.25Å; I448-C452 PolarHBondContact O-SG 2.94Å; I448-C452 VanDerWaalsContact O-SG 3.36Å
449	P	65.1	Low	67.2	Low	85 Å²	85	91.1 Å²	91.1	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-29.9	-179.7	-23	34.9	0	0	0	114	M445 K453	M445-P449 WeakPolarHBondContact O-CD 3.36Å; P449-K453 WeakPolarHBondContact O-CB 3.49Å; P449-K453 PolarHBondContact O-N 3.47Å; P449-K453 VanDerWaalsContact O-N 3.11Å
450	I	66.5	Low	67.5	Low	103 Å²	103	90.7 Å²	90.7	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-72.7	-50.1	-179.3	-56	175.2	0	0	0	109.4	A447 I448 C452 K453 D454	A447-I450 PolarHBondContact O-N 3.44Å; A447-I450 VanDerWaalsContact O-N 3.14Å; I448-I450 VanDerWaalsContact C-N 3.25Å; I448-I450 PolarHBondContact O-N 2.84Å; I450-C452 VanDerWaalsContact C-N 3.32Å; I450-C452 PolarHBondContact O-N 2.73Å; I450-K453 WeakPolarHBondContact O-CB 3.48Å; I450-K453 PolarHBondContact O-N 3.33Å; I450-K453 VanDerWaalsContact O-N 3.08Å; I450-D454 PolarHBondContact O-N 3.43Å
451	V	71.2	Confident	67.9	Low	83 Å²	83	85.8 Å²	85.8	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-41.4	178.1	178.8	0	0	0	0	111.3	A447 I448 K453 D454 I455	A447-V451 PolarHBondContact O-N 3.49Å; I448-V451 PolarHBondContact O-N 3.22Å; V451-K453 VanDerWaalsContact C-N 3.34Å; V451-K453 PolarHBondContact O-N 3.24Å; V451-D454 PolarHBondContact O-N 2.94Å; V451-I455 HydrophobicContact CG1-CD1 3.8Å; V451-I455 HydrophobicContact CG1-CG1 4.47Å; V451-I455 WeakPolarHBondContact O-CB 3.38Å; V451-I455 VanDerWaalsContact O-CG1 3.27Å; V451-I455 WeakPolarHBondContact O-CG1 2.98Å; V451-I455 PolarHBondContact O-N 3.38Å
452	C	68.4	Low	68.2	Low	77 Å²	77	86.5 Å²	86.5	52%	0.52	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-37.7	174.7	-69.8	0	0	0	0	113	I448 I450 A456	I448-C452 PolarHBondContact O-N 3.25Å; I448-C452 PolarHBondContact O-SG 2.94Å; I448-C452 VanDerWaalsContact O-SG 3.36Å; I450-C452 VanDerWaalsContact C-N 3.32Å; I450-C452 PolarHBondContact O-N 2.73Å; C452-A456 WeakPolarHBondContact O-CB 3.46Å; C452-A456 PolarHBondContact O-N 3.21Å; C452-A456 VanDerWaalsContact O-N 3.1Å
453	K	70.8	Confident	68.7	Low	142 Å²	142	86 Å²	86	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-65.1	-47.3	176.2	-178.8	-171.8	174	-168.8	0	111.5	P449 I450 V451 A456 V457	P449-K453 WeakPolarHBondContact O-CB 3.49Å; P449-K453 PolarHBondContact O-N 3.47Å; P449-K453 VanDerWaalsContact O-N 3.11Å; I450-K453 WeakPolarHBondContact O-CB 3.48Å; I450-K453 PolarHBondContact O-N 3.33Å; I450-K453 VanDerWaalsContact O-N 3.08Å; V451-K453 VanDerWaalsContact C-N 3.34Å; V451-K453 PolarHBondContact O-N 3.24Å; K453-A456 PolarHBondContact O-N 2.92Å; K453-V457 WeakPolarHBondContact O-CG2 3.4Å; K453-V457 PolarHBondContact O-N 3.5Å
454	D	72.6	Confident	69.1	Low	96 Å²	96	80.6 Å²	80.6	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-36.5	-176.2	-64.7	-19.7	0	0	0	111.6	I450 V451 V457 G458	I450-D454 PolarHBondContact O-N 3.43Å; V451-D454 PolarHBondContact O-N 2.94Å; D454-V457 PolarHBondContact O-N 3.46Å; D454-G458 PolarHBondContact O-N 3.31Å
455	I	72.9	Confident	69.8	Low	100 Å²	100	83 Å²	83	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-44.5	170.2	-70.5	169.4	0	0	0	111.2	V451 G458 L459	V451-I455 HydrophobicContact CG1-CD1 3.8Å; V451-I455 HydrophobicContact CG1-CG1 4.47Å; V451-I455 WeakPolarHBondContact O-CB 3.38Å; V451-I455 VanDerWaalsContact O-CG1 3.27Å; V451-I455 WeakPolarHBondContact O-CG1 2.98Å; V451-I455 PolarHBondContact O-N 3.38Å; I455-G458 PolarHBondContact O-N 2.95Å; I455-L459 HydrophobicContact CG2-CD1 4.03Å; I455-L459 WeakPolarHBondContact O-CB 3.49Å; I455-L459 PolarHBondContact O-N 3.42Å
456	A	70.6	Confident	70.5	Confident	62 Å²	62	82 Å²	82	51%	0.512	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-39.1	178.6	0	0	0	0	0	112.5	C452 K453 G460	C452-A456 WeakPolarHBondContact O-CB 3.46Å; C452-A456 PolarHBondContact O-N 3.21Å; C452-A456 VanDerWaalsContact O-N 3.1Å; K453-A456 PolarHBondContact O-N 2.92Å; A456-G460 PolarHBondContact O-N 3.37Å
457	V	73.9	Confident	71.2	Confident	97 Å²	97	85.7 Å²	85.7	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-43.4	174.6	171.9	0	0	0	0	111.2	K453 D454 G460 G461	K453-V457 WeakPolarHBondContact O-CG2 3.4Å; K453-V457 PolarHBondContact O-N 3.5Å; D454-V457 PolarHBondContact O-N 3.46Å; V457-G460 PolarHBondContact O-N 3.01Å; V457-G461 PolarHBondContact O-N 3.18Å
458	G	73.8	Confident	71.8	Confident	39 Å²	39	88.1 Å²	88.1	40%	0.402	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.7	0	0	0	0	0	113.3	D454 I455 T462	D454-G458 PolarHBondContact O-N 3.31Å; I455-G458 PolarHBondContact O-N 2.95Å; G458-T462 WeakPolarHBondContact O-CB 3.46Å; G458-T462 PolarHBondContact O-N 3.44Å; G458-T462 PolarHBondContact O-OG1 3.21Å
459	L	75.9	Confident	72.3	Confident	106 Å²	106	88 Å²	88	56%	0.555	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-43.2	173.6	-92.1	158.4	0	0	0	112	I455 T462 L463	I455-L459 HydrophobicContact CG2-CD1 4.03Å; I455-L459 WeakPolarHBondContact O-CB 3.49Å; I455-L459 PolarHBondContact O-N 3.42Å; L459-T462 PolarHBondContact O-N 2.89Å; L459-L463 WeakPolarHBondContact O-CB 3.21Å; L459-L463 PolarHBondContact O-N 3.35Å
460	G	72.6	Confident	72.7	Confident	41 Å²	41	86.3 Å²	86.3	42%	0.423	51%	0.511	S	S	.	.	H	α-helix	trans	-60.3	-46.3	176.5	0	0	0	0	0	113.1	A456 V457 T462 L463 S464	A456-G460 PolarHBondContact O-N 3.37Å; V457-G460 PolarHBondContact O-N 3.01Å; G460-T462 PolarHBondContact O-N 3.21Å; G460-L463 PolarHBondContact O-N 2.92Å; G460-S464 PolarHBondContact O-N 3.42Å
461	G	73.4	Confident	72.8	Confident	40 Å²	40	87.6 Å²	87.6	41%	0.412	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-39.7	175.6	0	0	0	0	0	113.1	V457 S464 L465	V457-G461 PolarHBondContact O-N 3.18Å; G461-S464 PolarHBondContact O-N 3.09Å; G461-L465 PolarHBondContact O-N 3.34Å; G461-L465 VanDerWaalsContact O-N 3.08Å
462	T	72.8	Confident	72.6	Confident	84 Å²	84	86 Å²	86	52%	0.515	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-40	177.1	-52.7	0	0	0	0	111.7	G458 L459 G460 L465 L466	G458-T462 WeakPolarHBondContact O-CB 3.46Å; G458-T462 PolarHBondContact O-N 3.44Å; G458-T462 PolarHBondContact O-OG1 3.21Å; L459-T462 PolarHBondContact O-N 2.89Å; G460-T462 PolarHBondContact O-N 3.21Å; T462-L465 PolarHBondContact O-N 3.13Å; T462-L466 PolarHBondContact O-N 3.17Å; T462-L466 VanDerWaalsContact O-N 3.12Å
463	L	73.6	Confident	72.8	Confident	90 Å²	90	86.6 Å²	86.6	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-40	174	-80.7	163.7	0	0	0	112.2	L459 G460 L466 F467	L459-L463 WeakPolarHBondContact O-CB 3.21Å; L459-L463 PolarHBondContact O-N 3.35Å; G460-L463 PolarHBondContact O-N 2.92Å; L463-L466 PolarHBondContact O-N 2.98Å; L463-F467 WeakPolarHBondContact O-CD2 3.4Å; L463-F467 PolarHBondContact O-N 3.38Å
464	S	69.8	Low	72.6	Confident	62 Å²	62	84.4 Å²	84.4	43%	0.434	51%	0.508	S	S	.	.	H	α-helix	trans	-58.2	-51	174.4	-163.8	0	0	0	0	111	G460 G461 L466 F467 D468	G460-S464 PolarHBondContact O-N 3.42Å; G461-S464 PolarHBondContact O-N 3.09Å; S464-L466 VanDerWaalsContact C-N 3.26Å; S464-L466 PolarHBondContact O-N 2.99Å; S464-F467 CarbonylContact O-C 3.59Å; S464-F467 PolarHBondContact O-N 3.35Å; S464-D468 PolarHBondContact O-N 2.89Å; S464-D468 VanDerWaalsContact O-OD2 3.05Å; S464-D468 PolarHBondContact OG-OD2 3.34Å
465	L	76.3	Confident	72.1	Confident	117 Å²	117	81.8 Å²	81.8	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-59.3	-35.4	178.4	-72.5	169.4	0	0	0	112.9	G461 T462 T469	G461-L465 PolarHBondContact O-N 3.34Å; G461-L465 VanDerWaalsContact O-N 3.08Å; T462-L465 PolarHBondContact O-N 3.13Å; L465-T469 VanDerWaalsContact O-CB 3.3Å; L465-T469 WeakPolarHBondContact O-CB 3.22Å; L465-T469 PolarHBondContact O-N 2.92Å; L465-T469 PolarHBondContact O-OG1 2.89Å
466	L	75.4	Confident	71.8	Confident	112 Å²	112	78.5 Å²	78.5	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-66.1	-43.8	173.4	-83.5	165.4	0	0	0	112.1	T462 L463 S464 T469 A470	T462-L466 PolarHBondContact O-N 3.17Å; T462-L466 VanDerWaalsContact O-N 3.12Å; L463-L466 PolarHBondContact O-N 2.98Å; S464-L466 VanDerWaalsContact C-N 3.26Å; S464-L466 PolarHBondContact O-N 2.99Å; L466-T469 PolarHBondContact O-N 3.33Å; L466-A470 WeakPolarHBondContact O-CB 3.42Å; L466-A470 PolarHBondContact O-N 3.44Å
467	F	74.7	Confident	71.5	Confident	124 Å²	124	81 Å²	81	54%	0.544	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-45.1	174.6	-79.2	-64.6	0	0	0	112.2	L463 S464 T469 A470 F471	L463-F467 WeakPolarHBondContact O-CD2 3.4Å; L463-F467 PolarHBondContact O-N 3.38Å; S464-F467 CarbonylContact O-C 3.59Å; S464-F467 PolarHBondContact O-N 3.35Å; F467-T469 VanDerWaalsContact C-N 3.28Å; F467-T469 PolarHBondContact O-N 3.03Å; F467-A470 PolarHBondContact O-N 3.34Å; F467-A470 VanDerWaalsContact O-N 3.13Å; F467-F471 HydrophobicContact CB-CD2 4.4Å; F467-F471 HydrophobicContact CD1-CE2 4.25Å; F467-F471 VanDerWaalsContact O-CD2 3.26Å; F467-F471 WeakPolarHBondContact O-CD2 3.25Å; F467-F471 PolarHBondContact O-N 3.04Å
468	D	73.4	Confident	71	Confident	97 Å²	97	83.1 Å²	83.1	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-59.8	-40	177.1	-68	-45.4	0	0	0	111.4	S464 G472	S464-D468 PolarHBondContact O-N 2.89Å; S464-D468 VanDerWaalsContact O-OD2 3.05Å; S464-D468 PolarHBondContact OG-OD2 3.34Å; D468-G472 PolarHBondContact O-N 2.85Å
469	T	74.7	Confident	70.4	Confident	90 Å²	90	88.5 Å²	88.5	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-40.6	174.6	-55.6	0	0	0	0	111.9	L465 L466 F467 T473	L465-T469 VanDerWaalsContact O-CB 3.3Å; L465-T469 WeakPolarHBondContact O-CB 3.22Å; L465-T469 PolarHBondContact O-N 2.92Å; L465-T469 PolarHBondContact O-OG1 2.89Å; L466-T469 PolarHBondContact O-N 3.33Å; F467-T469 VanDerWaalsContact C-N 3.28Å; F467-T469 PolarHBondContact O-N 3.03Å; T469-T473 WeakPolarHBondContact O-CB 3.37Å; T469-T473 WeakPolarHBondContact O-CG2 3.47Å; T469-T473 PolarHBondContact O-N 3.31Å; T469-T473 PolarHBondContact O-OG1 3.43Å
470	A	73.1	Confident	70	Confident	50 Å²	50	87.5 Å²	87.5	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-44.4	177.3	0	0	0	0	0	112.4	L466 F467 T473 M474	L466-A470 WeakPolarHBondContact O-CB 3.42Å; L466-A470 PolarHBondContact O-N 3.44Å; F467-A470 PolarHBondContact O-N 3.34Å; F467-A470 VanDerWaalsContact O-N 3.13Å; A470-T473 PolarHBondContact O-OG1 3.42Å; A470-T473 VanDerWaalsContact O-OG1 3.09Å; A470-M474 WeakPolarHBondContact O-CB 3.46Å; A470-M474 PolarHBondContact O-N 3.32Å
471	F	69.7	Low	69.7	Low	131 Å²	131	88.3 Å²	88.3	58%	0.575	51%	0.51	S	S	*	.	H	α-helix	trans	-68.8	-38.8	175.3	-79	-67.4	0	0	0	112.1	F467 M474 G475	F467-F471 HydrophobicContact CB-CD2 4.4Å; F467-F471 HydrophobicContact CD1-CE2 4.25Å; F467-F471 VanDerWaalsContact O-CD2 3.26Å; F467-F471 WeakPolarHBondContact O-CD2 3.25Å; F467-F471 PolarHBondContact O-N 3.04Å; F471-M474 HydrophobicContact CD1-CE 3.91Å; F471-M474 HydrophobicContact CE1-CE 4Å; F471-M474 PolarHBondContact O-N 3.35Å; F471-G475 PolarHBondContact O-N 3.25Å
472	G	67.6	Low	69.2	Low	49 Å²	49	94 Å²	94	51%	0.505	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-46.5	175	0	0	0	0	0	112.9	D468 G475 G476	D468-G472 PolarHBondContact O-N 2.85Å; G472-G475 PolarHBondContact O-N 3.07Å; G472-G476 PolarHBondContact O-N 3.48Å
473	T	70.6	Confident	68.6	Low	90 Å²	90	93 Å²	93	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-66.4	-42.7	175.6	48.7	0	0	0	0	112	T469 A470 G475 G476 L477	T469-T473 WeakPolarHBondContact O-CB 3.37Å; T469-T473 WeakPolarHBondContact O-CG2 3.47Å; T469-T473 PolarHBondContact O-N 3.31Å; T469-T473 PolarHBondContact O-OG1 3.43Å; A470-T473 PolarHBondContact O-OG1 3.42Å; A470-T473 VanDerWaalsContact O-OG1 3.09Å; T473-G475 PolarHBondContact O-N 3.06Å; T473-G476 PolarHBondContact O-N 3.39Å; T473-L477 WeakPolarHBondContact O-CB 3.49Å; T473-L477 PolarHBondContact O-N 2.94Å
474	M	66.6	Low	68	Low	96 Å²	96	92 Å²	92	47%	0.473	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-38.9	176.3	-169.2	167.5	66.4	0	0	112.1	A470 F471 L477 F478	A470-M474 WeakPolarHBondContact O-CB 3.46Å; A470-M474 PolarHBondContact O-N 3.32Å; F471-M474 HydrophobicContact CD1-CE 3.91Å; F471-M474 HydrophobicContact CE1-CE 4Å; F471-M474 PolarHBondContact O-N 3.35Å; M474-L477 PolarHBondContact O-N 2.93Å; M474-F478 HydrophobicContact CG-CD2 4.04Å; M474-F478 HydrophobicContact CG-CE2 4.01Å; M474-F478 WeakPolarHBondContact O-CD2 3.26Å; M474-F478 PolarHBondContact O-N 3.03Å
475	G	63.2	Low	67.6	Low	41 Å²	41	96.8 Å²	96.8	42%	0.423	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.3	0	0	0	0	0	112.9	F471 G472 T473 L477 F478 Q479	F471-G475 PolarHBondContact O-N 3.25Å; G472-G475 PolarHBondContact O-N 3.07Å; T473-G475 PolarHBondContact O-N 3.06Å; G475-L477 VanDerWaalsContact C-N 3.33Å; G475-L477 PolarHBondContact O-N 3.06Å; G475-F478 PolarHBondContact O-N 3.31Å; G475-Q479 PolarHBondContact O-N 2.96Å
476	G	65.6	Low	66.6	Low	31 Å²	31	99.9 Å²	99.9	32%	0.32	54%	0.539	S	S	.	.	H	α-helix	trans	-61.3	-40.3	171.9	0	0	0	0	0	112.6	G472 T473 Q479 V480	G472-G476 PolarHBondContact O-N 3.48Å; T473-G476 PolarHBondContact O-N 3.39Å; G476-Q479 WeakPolarHBondContact O-CB 3.14Å; G476-Q479 PolarHBondContact O-N 3.43Å; G476-Q479 VanDerWaalsContact O-N 3.12Å; G476-V480 WeakPolarHBondContact O-CG2 3.41Å; G476-V480 PolarHBondContact O-N 3.29Å
477	L	65.3	Low	65.7	Low	114 Å²	114	104.8 Å²	104.8	60%	0.597	55%	0.55	S	S	*	*	H	α-helix	trans	-67.3	-39.5	178.3	-146.1	156.9	0	0	0	111.4	T473 M474 G475 Q479 V480 V481	T473-L477 WeakPolarHBondContact O-CB 3.49Å; T473-L477 PolarHBondContact O-N 2.94Å; M474-L477 PolarHBondContact O-N 2.93Å; G475-L477 VanDerWaalsContact C-N 3.33Å; G475-L477 PolarHBondContact O-N 3.06Å; L477-Q479 VanDerWaalsContact C-N 3.31Å; L477-Q479 PolarHBondContact O-N 3.13Å; L477-V480 PolarHBondContact O-N 3.01Å; L477-V481 HydrophobicContact CD2-CG2 3.99Å; L477-V481 WeakPolarHBondContact O-CB 3.37Å; L477-V481 WeakPolarHBondContact O-CG2 3.47Å; L477-V481 PolarHBondContact O-N 3.16Å
478	F	63.5	Low	65	Low	141 Å²	141	106.9 Å²	106.9	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-60	-38.8	168.4	-91.8	-72.6	0	0	0	112.5	M474 G475 V481 F482	M474-F478 HydrophobicContact CG-CD2 4.04Å; M474-F478 HydrophobicContact CG-CE2 4.01Å; M474-F478 WeakPolarHBondContact O-CD2 3.26Å; M474-F478 PolarHBondContact O-N 3.03Å; G475-F478 PolarHBondContact O-N 3.31Å; F478-V481 PolarHBondContact O-N 3.33Å; F478-F482 VanDerWaalsContact O-CB 3.31Å; F478-F482 WeakPolarHBondContact O-CB 3.41Å; F478-F482 PolarHBondContact O-N 3.25Å
479	Q	61.6	Low	63.9	Low	152 Å²	152	105.2 Å²	105.2	71%	0.71	56%	0.564	S	S	*	*	H	α-helix	trans	-67.5	-37.7	177.3	-147.3	177.7	27.4	0	0	112.2	G475 G476 L477 S483	G475-Q479 PolarHBondContact O-N 2.96Å; G476-Q479 WeakPolarHBondContact O-CB 3.14Å; G476-Q479 PolarHBondContact O-N 3.43Å; G476-Q479 VanDerWaalsContact O-N 3.12Å; L477-Q479 VanDerWaalsContact C-N 3.31Å; L477-Q479 PolarHBondContact O-N 3.13Å; Q479-S483 WeakPolarHBondContact O-CB 3.4Å; Q479-S483 PolarHBondContact O-N 2.94Å; Q479-S483 VanDerWaalsContact O-N 3.09Å; Q479-S483 PolarHBondContact O-OG 2.85Å
480	V	66.6	Low	62.5	Low	85 Å²	85	111.3 Å²	111.3	52%	0.515	58%	0.579	S	S	.	*	H	α-helix	trans	-65.7	-48.5	171.3	173	0	0	0	0	110.7	G476 L477 F482 S483 V484	G476-V480 WeakPolarHBondContact O-CG2 3.41Å; G476-V480 PolarHBondContact O-N 3.29Å; L477-V480 PolarHBondContact O-N 3.01Å; V480-F482 PolarHBondContact O-N 3.22Å; V480-S483 WeakPolarHBondContact CA-OG 3.45Å; V480-S483 PolarHBondContact O-N 2.91Å; V480-S483 PolarHBondContact O-OG 3.22Å; V480-V484 HydrophobicContact CG1-CG2 4.21Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 VanDerWaalsContact O-CG2 3.29Å; V480-V484 WeakPolarHBondContact O-CG2 3.49Å; V480-V484 PolarHBondContact O-N 3.35Å
481	V	67.6	Low	60.9	Low	59 Å²	59	118.4 Å²	118.4	36%	0.358	60%	0.6	S	S	.	*	H	α-helix	trans	-58.9	-45.8	177.8	167.9	0	0	0	0	111.2	L477 F478 S483 V484 F485	L477-V481 HydrophobicContact CD2-CG2 3.99Å; L477-V481 WeakPolarHBondContact O-CB 3.37Å; L477-V481 WeakPolarHBondContact O-CG2 3.47Å; L477-V481 PolarHBondContact O-N 3.16Å; F478-V481 PolarHBondContact O-N 3.33Å; V481-S483 VanDerWaalsContact C-N 3.33Å; V481-S483 PolarHBondContact O-N 3.42Å; V481-V484 PolarHBondContact O-N 3.38Å; V481-F485 HydrophobicContact CG1-CD2 3.67Å; V481-F485 HydrophobicContact CG1-CE2 3.73Å; V481-F485 WeakPolarHBondContact O-CD2 3.26Å; V481-F485 PolarHBondContact O-N 3.23Å
482	F	61.8	Low	59.5	Low	158 Å²	158	117.9 Å²	117.9	69%	0.693	61%	0.608	S	S	*	*	H	α-helix	trans	-64.1	-36.6	179.1	-160.4	-94.4	0	0	0	112.5	F478 V480 K486	F478-F482 VanDerWaalsContact O-CB 3.31Å; F478-F482 WeakPolarHBondContact O-CB 3.41Å; F478-F482 PolarHBondContact O-N 3.25Å; V480-F482 PolarHBondContact O-N 3.22Å; F482-K486 WeakPolarHBondContact O-CB 3.45Å; F482-K486 PolarHBondContact O-N 2.87Å; F482-K486 VanDerWaalsContact O-N 3.11Å
483	S	59.7	Low	58	Low	65 Å²	65	122.5 Å²	122.5	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-77.2	-28.3	175.8	53.7	0	0	0	0	113.6	Q479 V480 V481 K486 R487	Q479-S483 WeakPolarHBondContact O-CB 3.4Å; Q479-S483 PolarHBondContact O-N 2.94Å; Q479-S483 VanDerWaalsContact O-N 3.09Å; Q479-S483 PolarHBondContact O-OG 2.85Å; V480-S483 WeakPolarHBondContact CA-OG 3.45Å; V480-S483 PolarHBondContact O-N 2.91Å; V480-S483 PolarHBondContact O-OG 3.22Å; V481-S483 VanDerWaalsContact C-N 3.33Å; V481-S483 PolarHBondContact O-N 3.42Å; S483-K486 PolarHBondContact O-N 3.35Å; S483-R487 WeakPolarHBondContact O-CB 3.41Å; S483-R487 PolarHBondContact O-N 2.94Å
484	V	62.4	Low	56.4	Low	68 Å²	68	126.1 Å²	126.1	41%	0.412	64%	0.635	S	S	.	*	H	α-helix	trans	-70.3	-45.1	170.8	168.7	0	0	0	0	111.2	V480 V481 K486 R487 F488	V480-V484 HydrophobicContact CG1-CG2 4.21Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 VanDerWaalsContact O-CG2 3.29Å; V480-V484 WeakPolarHBondContact O-CG2 3.49Å; V480-V484 PolarHBondContact O-N 3.35Å; V481-V484 PolarHBondContact O-N 3.38Å; V484-K486 VanDerWaalsContact C-N 3.26Å; V484-K486 PolarHBondContact O-N 2.96Å; V484-R487 WeakPolarHBondContact O-CA 3.36Å; V484-R487 PolarHBondContact O-N 2.87Å; V484-F488 HydrophobicContact CG1-CD2 3.91Å; V484-F488 HydrophobicContact CG1-CE2 4.37Å; V484-F488 PolarHBondContact O-N 2.91Å
485	F	59.7	Low	55	Low	163 Å²	163	128.8 Å²	128.8	72%	0.715	65%	0.651	S	S	*	*	H	α-helix	trans	-58.2	-39.4	171.6	-90.7	-72.9	0	0	0	111.8	V481 R487	V481-F485 HydrophobicContact CG1-CD2 3.67Å; V481-F485 HydrophobicContact CG1-CE2 3.73Å; V481-F485 WeakPolarHBondContact O-CD2 3.26Å; V481-F485 PolarHBondContact O-N 3.23Å; F485-R487 PolarHBondContact O-N 3.36Å
486	K	56.4	Low	53.8	Low	182 Å²	182	132.8 Å²	132.8	79%	0.791	66%	0.663	S	S	*	*	H	α-helix	trans	-68.7	-9.7	174.2	-157.9	173.5	-175.3	179.8	0	114	F482 S483 V484	F482-K486 WeakPolarHBondContact O-CB 3.45Å; F482-K486 PolarHBondContact O-N 2.87Å; F482-K486 VanDerWaalsContact O-N 3.11Å; S483-K486 PolarHBondContact O-N 3.35Å; V484-K486 VanDerWaalsContact C-N 3.26Å; V484-K486 PolarHBondContact O-N 2.96Å
487	R	56	Low	52.6	Low	215 Å²	215	137.2 Å²	137.2	81%	0.811	69%	0.689	S	S	*	*	H	α-helix	trans	-111.5	-27.8	-176.7	-167.9	171.5	-175.1	169.2	1.4	114.5	S483 V484 F485	S483-R487 WeakPolarHBondContact O-CB 3.41Å; S483-R487 PolarHBondContact O-N 2.94Å; V484-R487 WeakPolarHBondContact O-CA 3.36Å; V484-R487 PolarHBondContact O-N 2.87Å; F485-R487 PolarHBondContact O-N 3.36Å
488	F	59.3	Low	51.3	Low	168 Å²	168	135.5 Å²	135.5	74%	0.737	70%	0.699	S	S	*	*	H	α-helix	trans	-98.5	1.2	179.9	-82.9	-86.7	0	0	0	114.9	V484 Y490	V484-F488 HydrophobicContact CG1-CD2 3.91Å; V484-F488 HydrophobicContact CG1-CE2 4.37Å; V484-F488 PolarHBondContact O-N 2.91Å; F488-Y490 PolarHBondContact O-N 2.88Å
489	G	52.1	Low	50.3	Low	61 Å²	61	137.8 Å²	137.8	63%	0.629	71%	0.711	S	S	*	*			trans	-69.7	29	178.3	0	0	0	0	0	116.8
490	Y	44	Very low	49.1	Very low	219 Å²	219	142.2 Å²	142.2	86%	0.859	74%	0.739	S	S	*	*	S	Bend	trans	-155.9	139	170.6	-111.7	-74.6	0	0	0	114.6	F488	F488-Y490 PolarHBondContact O-N 2.88Å
491	K	40.2	Very low	48.2	Very low	198 Å²	198	145.1 Å²	145.1	86%	0.861	75%	0.75	S	S	*	*			trans	66.8	93.8	170.6	-80.2	-174.7	173.3	-177	0	118.9
492	V	40.5	Very low	47.2	Very low	121 Å²	121	149.6 Å²	149.6	73%	0.733	77%	0.77	S	S	*	*			trans	-69.8	142.6	156.7	172.8	0	0	0	0	111.7	F494	V492-F494 HydrophobicContact CG1-CD2 3.99Å; V492-F494 HydrophobicContact CG1-CE2 4.5Å
493	T	35.6	Very low	46.4	Very low	146 Å²	146	149.2 Å²	149.2	90%	0.896	78%	0.775	S	S	*	*			trans	-152.7	140.4	139.7	16.7	0	0	0	0	108.5
494	F	36.9	Very low	45.6	Very low	166 Å²	166	154.1 Å²	154.1	73%	0.728	79%	0.794	S	S	*	*			trans	-116.2	147.8	-176.2	-99.6	-101.4	0	0	0	110.7	V492	V492-F494 HydrophobicContact CG1-CD2 3.99Å; V492-F494 HydrophobicContact CG1-CE2 4.5Å
495	D	36.4	Very low	44.6	Very low	151 Å²	151	159.5 Å²	159.5	81%	0.807	82%	0.817	S	S	*	*			trans	-172.4	150	132	-91.3	-31.5	0	0	0	107.8
496	N	39.3	Very low	43.5	Very low	126 Å²	126	159.3 Å²	159.3	67%	0.674	82%	0.824	S	S	*	*			cis	143.7	74.2	-13.8	-95.5	-29.8	0	0	0	108.9
497	S	40.3	Very low	42.6	Very low	124 Å²	124	157.6 Å²	157.6	87%	0.867	83%	0.827	S	S	*	*			trans	-173.9	130.2	154.6	56.4	0	0	0	0	109
498	G	38.3	Very low	41.6	Very low	78 Å²	78	153.2 Å²	153.2	80%	0.804	83%	0.828	S	S	*	*			cis	122.8	82.5	-6.2	0	0	0	0	0	113.2
499	E	40.9	Very low	40.1	Very low	188 Å²	188	152 Å²	152	88%	0.879	84%	0.835	S	S	*	*			trans	-160.8	134.1	156	-122.3	172.3	-164.7	0	0	110.7
500	L	37.1	Very low	39	Very low	246 Å²	246	160.3 Å²	160.3	100%	1.288	85%	0.854	S	S	*	*			trans	50	0	170.5	-72.8	139.5	0	0	0	118.3

Retrieved 500 of 500 residues in 286.3 ms (Link to these results)

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