A0A077ZEU4_TRITR Loading...

Membrane lipoprotein tmpC

AlphaFold DB , UniProt , Accession A0A077ZEU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 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	40.9	Very low	40.8	Very low	243 Å²	243	159.1 Å²	159.1	100%	1.197	87%	0.867	S	S	*	*				0	105.5	0	-67.7	173	-170.8	0	0	109.2
2	K	40.2	Very low	41.4	Very low	218 Å²	218	157 Å²	157	95%	0.948	86%	0.863	S	S	*	*			trans	179.7	100.1	150.1	-101	173.1	-177	-176.2	0	105.8
3	K	38.6	Very low	41.3	Very low	207 Å²	207	152.3 Å²	152.3	90%	0.9	86%	0.857	S	S	*	*			trans	-101.5	137.9	179.1	-80.5	-176.4	172.3	-177.2	0	109.2
4	A	40.1	Very low	41.6	Very low	91 Å²	91	153.9 Å²	153.9	75%	0.752	86%	0.857	S	S	*	*			trans	49.6	122.8	140.4	0	0	0	0	0	121.7
5	K	45.9	Very low	41.8	Very low	208 Å²	208	149.9 Å²	149.9	90%	0.904	85%	0.853	S	S	*	*			trans	-155	99.3	136.9	-69.4	-163.2	177.9	-179.5	0	107.3
6	L	39.8	Very low	42.1	Very low	164 Å²	164	146.6 Å²	146.6	86%	0.859	85%	0.849	S	S	*	*				63.3	107.5	86.1	-134.1	95.6	0	0	0	115.8
7	F	39.6	Very low	42.3	Very low	181 Å²	181	147.6 Å²	147.6	79%	0.794	85%	0.85	S	S	*	*			trans	18.6	126.9	147.2	-87.6	-99.4	0	0	0	121.1	L9	F7-L9 HydrophobicContact CD1-CD1 4Å; F7-L9 HydrophobicContact CE1-CD1 3.93Å
8	G	39.2	Very low	42.7	Very low	82 Å²	82	148.3 Å²	148.3	85%	0.845	85%	0.849	S	S	*	*			trans	-139.7	94.9	153.1	0	0	0	0	0	109.7
9	L	40	Very low	43.2	Very low	149 Å²	149	146.6 Å²	146.6	78%	0.78	84%	0.842	S	S	*	*			trans	-79.7	116.4	167.8	-124.8	83.2	0	0	0	107.3	F7	F7-L9 HydrophobicContact CD1-CD1 4Å; F7-L9 HydrophobicContact CE1-CD1 3.93Å
10	G	42.3	Very low	43.1	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	85%	0.846	S	S	*	*			trans	-130.6	77.6	177.3	0	0	0	0	0	110.6	V12	G10-V12 PolarHBondContact O-N 2.83Å
11	T	42.8	Very low	43.3	Very low	137 Å²	137	144.9 Å²	144.9	84%	0.84	85%	0.845	S	S	*	*			trans	-71	108.1	165.9	21.3	0	0	0	0	109.1
12	V	47	Very low	43.4	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	83%	0.828	S	S	*	*			trans	-111.2	99.3	166.1	179	0	0	0	0	107.3	G10	G10-V12 PolarHBondContact O-N 2.83Å
13	A	41.2	Very low	43.7	Very low	96 Å²	96	134.5 Å²	134.5	79%	0.793	83%	0.829	S	S	*	*			trans	-94.5	114.2	164.5	0	0	0	0	0	107.5
14	M	45.7	Very low	43.8	Very low	174 Å²	174	128.4 Å²	128.4	86%	0.857	83%	0.825	S	S	*	*			trans	-142.4	109	163.6	-150.6	86.6	85.9	0	0	108.8
15	A	43.4	Very low	43.5	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	83%	0.832	S	S	*	*			trans	-68.4	128.5	174.1	0	0	0	0	0	110.1
16	A	47.6	Very low	43.2	Very low	97 Å²	97	122.1 Å²	122.1	80%	0.802	83%	0.828	S	S	*	*			trans	-113.2	94.9	169.1	0	0	0	0	0	109
17	L	44.5	Very low	42.9	Very low	163 Å²	163	120.9 Å²	120.9	85%	0.853	83%	0.833	S	S	*	*			trans	-86	111.9	164.5	-88.1	137.4	0	0	0	108.1
18	L	50.4	Low	42.8	Very low	160 Å²	160	115.8 Å²	115.8	84%	0.838	83%	0.831	S	S	*	*			trans	-135.6	94.1	166.9	-76.2	175	0	0	0	111.1
19	T	51.1	Low	42.4	Very low	117 Å²	117	116.2 Å²	116.2	72%	0.718	84%	0.836	S	S	*	*			trans	8	127.5	140.2	55.9	0	0	0	0	121.1
20	L	41.8	Very low	42.1	Very low	177 Å²	177	112.3 Å²	112.3	93%	0.927	83%	0.831	S	S	*	*				40.3	116.2	129.4	-87.1	70.4	0	0	0	120.1
21	G	47.8	Very low	41.6	Very low	80 Å²	80	115 Å²	115	83%	0.825	84%	0.839	S	S	*	*			trans	-172.5	140.9	152.2	0	0	0	0	0	108.1
22	A	42.7	Very low	41.2	Very low	101 Å²	101	114.3 Å²	114.3	84%	0.835	84%	0.835	S	S	*	*			cis	-158.2	144.5	1.9	0	0	0	0	0	107.2
23	C	47.3	Very low	40.5	Very low	142 Å²	142	115.9 Å²	115.9	96%	0.959	84%	0.838	S	S	*	*			trans	-65.7	132.5	163.7	-72.4	0	0	0	0	109.5
24	G	40.1	Very low	40.4	Very low	79 Å²	79	116.2 Å²	116.2	81%	0.814	84%	0.835	S	S	*	*			trans	-147.8	92.9	170.3	0	0	0	0	0	109.8
25	G	34.4	Very low	40.2	Very low	89 Å²	89	113.4 Å²	113.4	92%	0.918	83%	0.832	S	S	*	*			trans	-72.6	139.6	171.9	0	0	0	0	0	111.3
26	G	38.5	Very low	40.1	Very low	78 Å²	78	111.9 Å²	111.9	80%	0.804	83%	0.826	S	S	*	*			trans	-160.8	92.1	175.3	0	0	0	0	0	110.2
27	S	32.9	Very low	39.9	Very low	138 Å²	138	110.2 Å²	110.2	97%	0.965	82%	0.818	S	S	*	*			trans	-64.4	129.4	169.3	174.3	0	0	0	0	110.5
28	G	37.3	Very low	40.3	Very low	74 Å²	74	106.8 Å²	106.8	76%	0.763	81%	0.813	S	S	*	*			trans	177.5	108.6	173.4	0	0	0	0	0	112.5
29	G	31.5	Very low	40.3	Very low	91 Å²	91	100 Å²	100	94%	0.938	78%	0.781	S	S	*	*			trans	-66.2	142.9	-170.6	0	0	0	0	0	114.9
30	G	34.7	Very low	40.5	Very low	66 Å²	66	101 Å²	101	68%	0.68	78%	0.775	S	S	*	*			trans	-157.6	77.1	170.9	0	0	0	0	0	107.7	T32	G30-T32 PolarHBondContact O-N 3.19Å
31	S	30	Very low	41.3	Very low	128 Å²	128	97.5 Å²	97.5	90%	0.895	76%	0.757	S	S	*	*			trans	-66.9	94.1	171	48.6	0	0	0	0	108.9
32	T	35.4	Very low	42.1	Very low	122 Å²	122	95 Å²	95	75%	0.748	73%	0.725	S	S	*	*			trans	-117.2	95.7	161.7	-1.8	0	0	0	0	106.9	G30 S34	G30-T32 PolarHBondContact O-N 3.19Å; T32-S34 PolarHBondContact O-N 3.3Å
33	D	32.3	Very low	43.3	Very low	166 Å²	166	93.1 Å²	93.1	89%	0.888	71%	0.709	S	S	*	*			trans	-63.3	80	174.3	-136.1	-4.3	0	0	0	108.4
34	S	40.1	Very low	44.9	Very low	103 Å²	103	94.1 Å²	94.1	72%	0.72	70%	0.697	S	S	*	*			trans	-100.5	76.1	169.2	-65.8	0	0	0	0	107	T32 G36	T32-S34 PolarHBondContact O-N 3.3Å; S34-G36 PolarHBondContact O-N 3.44Å
35	S	40.8	Very low	47.3	Very low	115 Å²	115	91.6 Å²	91.6	80%	0.804	66%	0.664	S	S	*	*			trans	-65.6	58.4	164.2	169.9	0	0	0	0	110.1	G37	S35-G37 VanDerWaalsContact C-N 3.28Å; S35-G37 PolarHBondContact O-N 3.33Å
36	G	41.2	Very low	50.3	Low	64 Å²	64	87.4 Å²	87.4	66%	0.66	62%	0.621	S	S	*	*			trans	-80.9	86.7	154.4	0	0	0	0	0	105.8	S34 A38	S34-G36 PolarHBondContact O-N 3.44Å; G36-A38 PolarHBondContact O-N 3.5Å
37	G	43.5	Very low	53.2	Low	61 Å²	61	83.7 Å²	83.7	63%	0.629	58%	0.583	S	S	*	*			trans	-52	110.1	171.5	0	0	0	0	0	107.8	S35 A39	S35-G37 VanDerWaalsContact C-N 3.28Å; S35-G37 PolarHBondContact O-N 3.33Å; G37-A39 PolarHBondContact O-N 3.04Å; G37-A39 VanDerWaalsContact O-N 3.13Å
38	A	52.5	Low	56.3	Low	91 Å²	91	77.1 Å²	77.1	75%	0.752	54%	0.537	S	S	*	.			trans	-70	111.7	177.9	0	0	0	0	0	106.8	G36 K40	G36-A38 PolarHBondContact O-N 3.5Å; A38-K40 PolarHBondContact O-N 3.15Å
39	A	50.5	Low	59.3	Low	18 Å²	18	73.7 Å²	73.7	15%	0.149	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-49.9	134.6	179.2	0	0	0	0	0	111	G37 D77 K79	G37-A39 PolarHBondContact O-N 3.04Å; G37-A39 VanDerWaalsContact O-N 3.13Å; A39-D77 VanDerWaalsContact CA-OD2 3.27Å; A39-D77 WeakPolarHBondContact CA-OD2 3.44Å; A39-D77 WeakPolarHBondContact CB-O 3.27Å; A39-D77 WeakPolarHBondContact CB-OD1 3.36Å; A39-K79 HydrophobicContact CB-CD 4.12Å; A39-K79 HydrophobicContact CB-CG 3.91Å; A39-K79 PolarHBondContact O-NZ 3.22Å
40	K	55.7	Low	62.5	Low	138 Å²	138	69.3 Å²	69.3	60%	0.6	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-93.8	123.7	-163.7	-170.2	-174.9	176.1	-153.5	0	109.2	A38 D42 D77	A38-K40 PolarHBondContact O-N 3.15Å; K40-D42 IonicContact NZ-OD2 2.84Å; K40-D42 PolarHBondContact O-N 3.44Å; K40-D77 PolarHBondContact N-O 3.17Å
41	D	58.1	Low	65.5	Low	103 Å²	103	66.2 Å²	66.2	55%	0.551	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-71.7	122.1	161.7	-61.5	-28.5	0	0	0	107
42	D	64.1	Low	68.6	Low	29 Å²	29	60.4 Å²	60.4	16%	0.155	38%	0.382	C	S	.	.			trans	-114.2	76.3	173.6	-154.4	-28.8	0	0	0	110.1	K40 K44 H45 S46 G83	K40-D42 IonicContact NZ-OD2 2.84Å; K40-D42 PolarHBondContact O-N 3.44Å; D42-K44 PolarHBondContact O-N 3.07Å; D42-K44 WeakPolarHBondContact OD1-CB 3.36Å; D42-K44 PolarHBondContact OD1-N 3.24Å; D42-H45 CarbonylContact O-C 3.57Å; D42-H45 PolarHBondContact O-N 3.15Å; D42-H45 IonicContact OD1-CD2 3.7Å; D42-H45 PolarHBondContact OD1-CD2 3.12Å; D42-H45 IonicContact OD2-CD2 3.33Å; D42-S46 PolarHBondContact O-N 3.33Å; D42-G83 CarbonylContact C-O 3.6Å; D42-G83 PolarHBondContact N-O 3.31Å
43	A	68.6	Low	71.4	Confident	60 Å²	60	55.9 Å²	55.9	50%	0.496	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-10.1	-178.6	0	0	0	0	0	114	G83 K109	A43-G83 PolarHBondContact N-O 2.75Å; A43-K109 WeakPolarHBondContact O-CG 3.49Å
44	K	80.9	Confident	73.9	Confident	164 Å²	164	49.2 Å²	49.2	71%	0.713	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-20	173.4	-65	-175.1	177	-174.6	0	113.4	D42 K109	D42-K44 PolarHBondContact O-N 3.07Å; D42-K44 WeakPolarHBondContact OD1-CB 3.36Å; D42-K44 PolarHBondContact OD1-N 3.24Å; K44-K109 WeakPolarHBondContact O-CG 3.31Å
45	H	91	Very high	76.3	Confident	26 Å²	26	44.3 Å²	44.3	12%	0.12	29%	0.29	C	S	.	.	S	Bend	trans	-131.7	25.6	-175.9	-53.4	-78.1	0	0	0	112.2	D42 V47 A311 L312 D314	D42-H45 CarbonylContact O-C 3.57Å; D42-H45 PolarHBondContact O-N 3.15Å; D42-H45 IonicContact OD1-CD2 3.7Å; D42-H45 PolarHBondContact OD1-CD2 3.12Å; D42-H45 IonicContact OD2-CD2 3.33Å; H45-V47 WeakPolarHBondContact O-CG2 3.41Å; H45-A311 PolarHBondContact ND1-O 3.07Å; H45-A311 VanDerWaalsContact ND1-O 3.09Å; H45-L312 HydrophobicContact CB-CB 4.42Å; H45-L312 HydrophobicContact CB-CD1 3.5Å; H45-L312 VanDerWaalsContact CB-CD1 3.5Å; H45-L312 PolarHBondContact CE1-O 3.16Å; H45-D314 IonicContact CE1-OD1 2.81Å; H45-D314 PolarHBondContact CE1-OD1 2.9Å
46	S	97.5	Very high	78.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	26%	0.257	C	S	.	.			trans	-64.9	143.2	178.6	55.8	0	0	0	0	111.6	D42 G84 G107 F108 K109 T110	D42-S46 PolarHBondContact O-N 3.33Å; S46-G84 CarbonylContact C-O 3.5Å; S46-G84 WeakPolarHBondContact CA-O 3.47Å; S46-G84 WeakPolarHBondContact CB-O 3.5Å; S46-G107 PolarHBondContact OG-O 3.03Å; S46-F108 WeakPolarHBondContact OG-CA 3.28Å; S46-K109 PolarHBondContact O-N 3.36Å; S46-K109 PolarHBondContact OG-N 2.83Å; S46-T110 PolarHBondContact O-N 3.43Å
47	V	98.7	Very high	81.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.8	-172.8	-175.5	0	0	0	0	111.5	H45 L69 W72 G84 Y85 N86 F108 T110 F112	H45-V47 WeakPolarHBondContact O-CG2 3.41Å; V47-L69 HydrophobicContact CB-CD1 3.88Å; V47-L69 HydrophobicContact CG1-CD1 3.58Å; V47-L69 HydrophobicContact CG1-CD2 4.14Å; V47-W72 HydrophobicContact CB-CH2 4.32Å; V47-W72 HydrophobicContact CB-CZ3 4.33Å; V47-W72 HydrophobicContact CG2-CH2 3.57Å; V47-W72 HydrophobicContact CG2-CZ2 3.88Å; V47-W72 HydrophobicContact CG2-CZ3 4.02Å; V47-G84 PolarHBondContact N-O 2.87Å; V47-Y85 CarbonylContact O-C 3.57Å; V47-Y85 WeakPolarHBondContact O-CA 3.49Å; V47-N86 PolarHBondContact O-N 3.29Å; V47-F108 VanDerWaalsContact C-CD1 3.43Å; V47-F108 WeakPolarHBondContact O-CD1 3.26Å; V47-F108 WeakPolarHBondContact O-CE1 3.4Å; V47-T110 CarbonylContact C-O 3.46Å; V47-T110 VanDerWaalsContact CA-O 3.31Å; V47-T110 WeakPolarHBondContact CA-O 3.44Å; V47-F112 HydrophobicContact CG1-CD2 3.65Å; V47-F112 HydrophobicContact CG1-CE2 3.5Å; V47-F112 VanDerWaalsContact CG1-CE2 3.5Å
48	A	98.6	Very high	83.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.9	169.6	0	0	0	0	0	111.7	N86 A103 F108 T110 V111 F112	A48-N86 VanDerWaalsContact CA-O 3.31Å; A48-N86 WeakPolarHBondContact CA-O 3.08Å; A48-A103 HydrophobicContact CB-CB 3.97Å; A48-F108 HydrophobicContact CB-CB 3.84Å; A48-F108 HydrophobicContact CB-CD1 3.78Å; A48-F108 HydrophobicContact CB-CD2 3.61Å; A48-F108 HydrophobicContact CB-CE1 4.22Å; A48-F108 HydrophobicContact CB-CE2 4.07Å; A48-F108 HydrophobicContact CB-CG 3.45Å; A48-F108 VanDerWaalsContact CB-CG 3.45Å; A48-F108 HydrophobicContact CB-CZ 4.37Å; A48-T110 PolarHBondContact N-O 2.86Å; A48-V111 CarbonylContact O-C 3.58Å; A48-V111 WeakPolarHBondContact O-CA 3.47Å; A48-F112 PolarHBondContact O-N 3.36Å
49	I	98.8	Very high	85.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.3	163.6	-78.6	164.1	0	0	0	109.2	T51 A65 L69 N86 Y87 I88 F112 I114 V304	I49-T51 HydrophobicContact CG2-CG2 3.83Å; I49-A65 HydrophobicContact CD1-CB 4.1Å; I49-A65 VanDerWaalsContact CD1-O 3.32Å; I49-A65 WeakPolarHBondContact CD1-O 3.33Å; I49-L69 HydrophobicContact CB-CD2 4.46Å; I49-L69 HydrophobicContact CD1-CB 3.69Å; I49-L69 HydrophobicContact CD1-CD2 3.61Å; I49-L69 HydrophobicContact CD1-CG 4.27Å; I49-L69 HydrophobicContact CG1-CD2 3.85Å; I49-N86 PolarHBondContact N-O 2.94Å; I49-Y87 CarbonylContact O-C 3.54Å; I49-Y87 WeakPolarHBondContact O-CA 3.28Å; I49-I88 PolarHBondContact O-N 3.02Å; I49-F112 HydrophobicContact CG1-CB 3.98Å; I49-F112 HydrophobicContact CG1-CG 4.45Å; I49-I114 HydrophobicContact CB-CG1 4.36Å; I49-I114 HydrophobicContact CG1-CD1 4.27Å; I49-I114 HydrophobicContact CG1-CG1 4.2Å; I49-I114 HydrophobicContact CG2-CB 4.49Å; I49-I114 HydrophobicContact CG2-CD1 4.4Å; I49-I114 HydrophobicContact CG2-CG1 3.44Å; I49-I114 VanDerWaalsContact CG2-CG1 3.44Å; I49-V304 HydrophobicContact CD1-CG1 4.07Å
50	V	98.8	Very high	87.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118	159.5	-176.3	0	0	0	0	107.5	I88 N99 I100 A103 V111 F112 I114 L118	V50-I88 WeakPolarHBondContact CA-O 3.36Å; V50-N99 HydrophobicContact CG1-CB 3.63Å; V50-N99 HydrophobicContact CG2-CB 4.44Å; V50-I100 HydrophobicContact CB-CG1 4.18Å; V50-I100 HydrophobicContact CG1-CG1 4.22Å; V50-I100 HydrophobicContact CG2-CG1 3.89Å; V50-A103 HydrophobicContact CG2-CB 4.45Å; V50-V111 HydrophobicContact CG2-CG1 4.17Å; V50-F112 PolarHBondContact N-O 3.05Å; V50-I114 PolarHBondContact O-N 3.11Å; V50-L118 HydrophobicContact CB-CD2 4.07Å; V50-L118 HydrophobicContact CG1-CD2 3.74Å
51	T	98.3	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	157.3	-175.8	74	0	0	0	0	111.6	I49 V56 N62 I88 Q89 S90	I49-T51 HydrophobicContact CG2-CG2 3.83Å; T51-V56 HydrophobicContact CG2-CG1 3.69Å; T51-N62 WeakPolarHBondContact CB-OD1 3.4Å; T51-N62 HydrophobicContact CG2-CB 4.49Å; T51-I88 PolarHBondContact N-O 2.89Å; T51-I88 VanDerWaalsContact N-O 3.1Å; T51-Q89 WeakPolarHBondContact OG1-CA 3.49Å; T51-S90 VanDerWaalsContact O-CB 3.26Å; T51-S90 WeakPolarHBondContact O-CB 3.18Å; T51-S90 PolarHBondContact O-OG 3.48Å; T51-S90 PolarHBondContact OG1-N 3.22Å
52	D	95.5	Very high	91.8	Very high	6 Å²	6	30 Å²	30	3%	0.032	16%	0.156	C	C	.	.			trans	-66.4	179.6	155.5	-145.4	-52.4	0	0	0	109.8	N62 Y96 I114 L118	D52-N62 PolarHBondContact N-OD1 3.11Å; D52-N62 VanDerWaalsContact N-OD1 3.07Å; D52-Y96 PolarHBondContact OD1-OH 3.07Å; D52-I114 WeakPolarHBondContact CB-O 3.4Å; D52-I114 PolarHBondContact N-O 2.82Å; D52-L118 HydrophobicContact CB-CD1 4.25Å
53	I	93.9	Very high	93.4	Very high	27 Å²	27	31 Å²	31	14%	0.138	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	149.6	169.6	-59.6	163.8	0	0	0	109.8	N62	I53-N62 PolarHBondContact O-ND2 3.45Å; I53-N62 VanDerWaalsContact O-ND2 3.13Å
54	G	85.2	Confident	94.8	Very high	26 Å²	26	28.8 Å²	28.8	27%	0.268	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.3	-26	177.8	0	0	0	0	0	112.9
55	G	90.1	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.			trans	81	166.2	175.7	0	0	0	0	0	114.5	D57 D58 N62 Q89	G55-D57 PolarHBondContact O-N 3.39Å; G55-D58 WeakPolarHBondContact O-CB 3.24Å; G55-D58 PolarHBondContact O-N 3.35Å; G55-D58 VanDerWaalsContact O-N 3.17Å; G55-N62 VanDerWaalsContact O-CB 3.23Å; G55-N62 WeakPolarHBondContact O-CB 3.45Å; G55-Q89 VanDerWaalsContact CA-OE1 3.27Å
56	V	93.7	Very high	96	Very high	19 Å²	19	20.7 Å²	20.7	12%	0.115	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.7	-175.9	-64.6	0	0	0	0	114.3	T51 Q63 W66 Y87	T51-V56 HydrophobicContact CG2-CG1 3.69Å; V56-Q63 VanDerWaalsContact O-CA 3.3Å; V56-Q63 WeakPolarHBondContact O-CA 3.49Å; V56-Q63 WeakPolarHBondContact O-CB 2.96Å; V56-Q63 WeakPolarHBondContact O-CG 3.48Å; V56-W66 HydrophobicContact CB-CB 4.12Å; V56-W66 HydrophobicContact CB-CG 4.15Å; V56-W66 HydrophobicContact CG1-CB 3.98Å; V56-W66 HydrophobicContact CG1-CG 4.13Å; V56-Y87 HydrophobicContact CG1-CD1 4.13Å; V56-Y87 HydrophobicContact CG1-CD2 3.6Å; V56-Y87 HydrophobicContact CG1-CE1 4.29Å; V56-Y87 HydrophobicContact CG1-CE2 3.8Å; V56-Y87 HydrophobicContact CG1-CG 3.78Å; V56-Y87 HydrophobicContact CG2-CD2 4.49Å; V56-Y87 HydrophobicContact CG2-CE1 4.06Å; V56-Y87 HydrophobicContact CG2-CE2 3.84Å
57	D	93.3	Very high	96.1	Very high	115 Å²	115	25.1 Å²	25.1	62%	0.615	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	19.9	176.6	65	-33.9	0	0	0	112.9	G55 R59	G55-D57 PolarHBondContact O-N 3.39Å; D57-R59 WeakPolarHBondContact O-CG 3.46Å; D57-R59 PolarHBondContact O-N 3.15Å; D57-R59 VanDerWaalsContact O-N 3.08Å
58	D	95.1	Very high	96.1	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	13%	0.128	C	C	.	.	S	Bend	trans	-64.1	-7.2	175.8	72.2	-4	0	0	0	114.7	G55 S60 F61 N62 Q63	G55-D58 WeakPolarHBondContact O-CB 3.24Å; G55-D58 PolarHBondContact O-N 3.35Å; G55-D58 VanDerWaalsContact O-N 3.17Å; D58-S60 PolarHBondContact O-N 2.96Å; D58-S60 PolarHBondContact OD1-N 3.09Å; D58-F61 PolarHBondContact OD1-N 3.43Å; D58-F61 PolarHBondContact OD2-N 2.9Å; D58-N62 PolarHBondContact OD1-N 3.34Å; D58-N62 WeakPolarHBondContact OD2-CB 3.45Å; D58-N62 PolarHBondContact OD2-N 2.91Å; D58-N62 PolarHBondContact OD2-ND2 3.2Å; D58-Q63 WeakPolarHBondContact OD1-CB 3.45Å; D58-Q63 PolarHBondContact OD1-N 3.3Å
59	R	94.8	Very high	96.1	Very high	128 Å²	128	25.4 Å²	25.4	48%	0.483	13%	0.128	S	C	.	.	S	Bend	trans	60.9	21.7	-178.8	-45.1	-170.1	177.6	-177.6	-0.6	114	D57 Q63 Q275 D278	D57-R59 WeakPolarHBondContact O-CG 3.46Å; D57-R59 PolarHBondContact O-N 3.15Å; D57-R59 VanDerWaalsContact O-N 3.08Å; R59-Q63 VanDerWaalsContact N-OE1 3.16Å; R59-Q275 WeakPolarHBondContact O-CG 3.41Å; R59-Q275 PolarHBondContact O-NE2 3.37Å; R59-D278 WeakPolarHBondContact CD-OD1 3.41Å; R59-D278 IonicContact CZ-OD1 2.8Å; R59-D278 IonicContact NE-OD1 3.85Å; R59-D278 IonicContact NH1-OD1 2.76Å; R59-D278 PolarHBondContact NH1-OD1 3Å
60	S	95.9	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-148	-105.8	-173.5	-176.5	0	0	0	0	109.8	D58 S64 V271 D272 S273	D58-S60 PolarHBondContact O-N 2.96Å; D58-S60 PolarHBondContact OD1-N 3.09Å; S60-S64 WeakPolarHBondContact O-CB 3.23Å; S60-S64 PolarHBondContact O-N 3.41Å; S60-V271 PolarHBondContact OG-O 2.84Å; S60-D272 PolarHBondContact OG-OD2 3.05Å; S60-S273 PolarHBondContact O-OG 3.4Å
61	F	97.8	Very high	96.1	Very high	19 Å²	19	30.7 Å²	30.7	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-76.4	-55.6	-166.5	-176.1	-115.1	0	0	0	113.7	D58 S64 A65 I114 I137 D138 D272 K298 V300	D58-F61 PolarHBondContact OD1-N 3.43Å; D58-F61 PolarHBondContact OD2-N 2.9Å; F61-S64 PolarHBondContact O-N 2.83Å; F61-A65 PolarHBondContact O-N 2.89Å; F61-I114 HydrophobicContact CD1-CG2 3.98Å; F61-I114 HydrophobicContact CE1-CG2 3.52Å; F61-I114 HydrophobicContact CZ-CG2 3.93Å; F61-I137 HydrophobicContact CE2-CG2 4.21Å; F61-I137 HydrophobicContact CZ-CG2 3.96Å; F61-D138 WeakPolarHBondContact CE2-OD2 3.32Å; F61-D138 WeakPolarHBondContact CZ-OD2 3.39Å; F61-D272 HydrophobicContact CB-CB 4.42Å; F61-K298 HydrophobicContact CD2-CD 4.2Å; F61-K298 HydrophobicContact CE2-CD 3.97Å; F61-V300 HydrophobicContact CD2-CG2 3.88Å; F61-V300 HydrophobicContact CE2-CG2 3.66Å
62	N	97.9	Very high	96.1	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-36.8	-177.7	-65.5	-67.8	0	0	0	111.2	T51 D52 I53 G55 D58 A65 W66	T51-N62 WeakPolarHBondContact CB-OD1 3.4Å; T51-N62 HydrophobicContact CG2-CB 4.49Å; D52-N62 PolarHBondContact N-OD1 3.11Å; D52-N62 VanDerWaalsContact N-OD1 3.07Å; I53-N62 PolarHBondContact O-ND2 3.45Å; I53-N62 VanDerWaalsContact O-ND2 3.13Å; G55-N62 VanDerWaalsContact O-CB 3.23Å; G55-N62 WeakPolarHBondContact O-CB 3.45Å; D58-N62 PolarHBondContact OD1-N 3.34Å; D58-N62 WeakPolarHBondContact OD2-CB 3.45Å; D58-N62 PolarHBondContact OD2-N 2.91Å; D58-N62 PolarHBondContact OD2-ND2 3.2Å; N62-A65 PolarHBondContact O-N 2.92Å; N62-W66 PolarHBondContact O-N 2.9Å; N62-W66 VanDerWaalsContact O-N 3.08Å
63	Q	97.8	Very high	96.2	Very high	50 Å²	50	30.5 Å²	30.5	23%	0.234	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-43.5	174.9	-174.1	169.9	-23.4	0	0	111.8	V56 D58 R59 A65 W66 E67	V56-Q63 VanDerWaalsContact O-CA 3.3Å; V56-Q63 WeakPolarHBondContact O-CA 3.49Å; V56-Q63 WeakPolarHBondContact O-CB 2.96Å; V56-Q63 WeakPolarHBondContact O-CG 3.48Å; D58-Q63 WeakPolarHBondContact OD1-CB 3.45Å; D58-Q63 PolarHBondContact OD1-N 3.3Å; R59-Q63 VanDerWaalsContact N-OE1 3.16Å; Q63-A65 VanDerWaalsContact C-N 3.33Å; Q63-A65 PolarHBondContact O-N 2.78Å; Q63-W66 PolarHBondContact O-N 3.31Å; Q63-W66 VanDerWaalsContact O-N 3.16Å; Q63-E67 HydrophobicContact CG-CG 4.15Å; Q63-E67 PolarHBondContact NE2-OE1 3.19Å; Q63-E67 WeakPolarHBondContact O-CB 3.35Å; Q63-E67 WeakPolarHBondContact O-CG 3.4Å; Q63-E67 PolarHBondContact O-N 3.22Å
64	S	98.2	Very high	96.4	Very high	15 Å²	15	37.9 Å²	37.9	11%	0.105	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-45.1	176.9	-179.8	0	0	0	0	112	S60 F61 W66 E67 G68 G301	S60-S64 WeakPolarHBondContact O-CB 3.23Å; S60-S64 PolarHBondContact O-N 3.41Å; F61-S64 PolarHBondContact O-N 2.83Å; S64-W66 PolarHBondContact O-N 3.47Å; S64-E67 PolarHBondContact O-N 3.36Å; S64-G68 PolarHBondContact O-N 3.29Å; S64-G301 WeakPolarHBondContact O-CA 3.49Å; S64-G301 PolarHBondContact OG-N 3.5Å
65	A	98.7	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-46.5	175.7	0	0	0	0	0	112.1	I49 F61 N62 Q63 G68 L69 I114 V300 V304	I49-A65 HydrophobicContact CD1-CB 4.1Å; I49-A65 VanDerWaalsContact CD1-O 3.32Å; I49-A65 WeakPolarHBondContact CD1-O 3.33Å; F61-A65 PolarHBondContact O-N 2.89Å; N62-A65 PolarHBondContact O-N 2.92Å; Q63-A65 VanDerWaalsContact C-N 3.33Å; Q63-A65 PolarHBondContact O-N 2.78Å; A65-G68 PolarHBondContact O-N 2.82Å; A65-L69 PolarHBondContact O-N 2.62Å; A65-L69 VanDerWaalsContact O-N 3.08Å; A65-I114 HydrophobicContact CB-CB 4.42Å; A65-I114 HydrophobicContact CB-CD1 3.69Å; A65-I114 HydrophobicContact CB-CG1 3.8Å; A65-I114 HydrophobicContact CB-CG2 3.75Å; A65-V300 HydrophobicContact CB-CG1 3.71Å; A65-V304 HydrophobicContact CB-CG2 4.21Å
66	W	98.5	Very high	97.3	Very high	19 Å²	19	44.9 Å²	44.9	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-43.4	-179.6	176.4	-125.3	0	0	0	112.4	V56 N62 Q63 S64 G68 L69 Q70 K80 Y85 Y87	V56-W66 HydrophobicContact CB-CB 4.12Å; V56-W66 HydrophobicContact CB-CG 4.15Å; V56-W66 HydrophobicContact CG1-CB 3.98Å; V56-W66 HydrophobicContact CG1-CG 4.13Å; N62-W66 PolarHBondContact O-N 2.9Å; N62-W66 VanDerWaalsContact O-N 3.08Å; Q63-W66 PolarHBondContact O-N 3.31Å; Q63-W66 VanDerWaalsContact O-N 3.16Å; S64-W66 PolarHBondContact O-N 3.47Å; W66-G68 VanDerWaalsContact C-N 3.32Å; W66-G68 PolarHBondContact O-N 3.35Å; W66-L69 HydrophobicContact CE3-CB 4.34Å; W66-L69 HydrophobicContact CE3-CD2 4.34Å; W66-L69 HydrophobicContact CZ3-CD2 4.1Å; W66-L69 HydrophobicContact CZ3-CG 4.5Å; W66-L69 PolarHBondContact O-N 3.3Å; W66-Q70 HydrophobicContact CD2-CG 3.96Å; W66-Q70 VanDerWaalsContact CE2-CD 3.43Å; W66-Q70 HydrophobicContact CE3-CG 4.36Å; W66-Q70 HydrophobicContact CH2-CG 4.03Å; W66-Q70 HydrophobicContact CZ2-CG 3.55Å; W66-Q70 HydrophobicContact CZ3-CG 4.41Å; W66-Q70 WeakPolarHBondContact O-CG 3.27Å; W66-Q70 PolarHBondContact O-N 3.49Å; W66-K80 HydrophobicContact CH2-CD 3.91Å; W66-K80 HydrophobicContact CH2-CG 4.28Å; W66-K80 HydrophobicContact CZ2-CD 4.05Å; W66-Y85 AromaticContact CH2-CD2 3.58Å; W66-Y85 HydrophobicContact CH2-CD2 3.58Å; W66-Y85 AromaticContact CH2-CE2 3.29Å; W66-Y85 HydrophobicContact CH2-CE2 3.29Å; W66-Y85 HydrophobicContact CZ2-CE2 4.11Å; W66-Y85 AromaticContact CZ3-CD2 3.54Å; W66-Y85 HydrophobicContact CZ3-CD2 3.54Å; W66-Y85 AromaticContact CZ3-CE2 3.67Å; W66-Y85 HydrophobicContact CZ3-CE2 3.67Å; W66-Y87 AromaticContact CD2-CD1 3.72Å; W66-Y87 HydrophobicContact CD2-CD1 3.72Å; W66-Y87 HydrophobicContact CD2-CE1 4.28Å; W66-Y87 AromaticContact CE2-CD1 3.78Å; W66-Y87 AromaticContact CE2-CE1 3.95Å; W66-Y87 AromaticContact CE3-CD1 3.69Å; W66-Y87 HydrophobicContact CE3-CD1 3.69Å; W66-Y87 HydrophobicContact CE3-CG 4.32Å; W66-Y87 HydrophobicContact CG-CD1 4.45Å; W66-Y87 AromaticContact CH2-CD1 3.84Å; W66-Y87 HydrophobicContact CH2-CD1 3.84Å; W66-Y87 HydrophobicContact CH2-CE1 4.41Å; W66-Y87 AromaticContact CZ2-CD1 3.87Å; W66-Y87 HydrophobicContact CZ2-CD1 3.87Å; W66-Y87 HydrophobicContact CZ2-CE1 4.05Å; W66-Y87 AromaticContact CZ3-CD1 3.74Å; W66-Y87 HydrophobicContact CZ3-CD1 3.74Å
67	E	98.5	Very high	97.3	Very high	94 Å²	94	48.2 Å²	48.2	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-39.3	176.4	-73.2	179.8	174.2	0	0	111.7	Q63 S64 Q70 A71	Q63-E67 HydrophobicContact CG-CG 4.15Å; Q63-E67 PolarHBondContact NE2-OE1 3.19Å; Q63-E67 WeakPolarHBondContact O-CB 3.35Å; Q63-E67 WeakPolarHBondContact O-CG 3.4Å; Q63-E67 PolarHBondContact O-N 3.22Å; S64-E67 PolarHBondContact O-N 3.36Å; E67-Q70 PolarHBondContact O-N 3.41Å; E67-A71 WeakPolarHBondContact O-CB 3.38Å; E67-A71 PolarHBondContact O-N 3.44Å
68	G	98.7	Very high	97.4	Very high	6 Å²	6	43.4 Å²	43.4	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-44.5	172.2	0	0	0	0	0	113	S64 A65 W66 A71 W72 G301	S64-G68 PolarHBondContact O-N 3.29Å; A65-G68 PolarHBondContact O-N 2.82Å; W66-G68 VanDerWaalsContact C-N 3.32Å; W66-G68 PolarHBondContact O-N 3.35Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.18Å; G68-W72 PolarHBondContact O-N 3.25Å; G68-G301 WeakPolarHBondContact CA-O 3.32Å
69	L	98.7	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-34	177.3	-170.4	59	0	0	0	112.5	V47 I49 A65 W66 W72 G73 Y85 V304	V47-L69 HydrophobicContact CB-CD1 3.88Å; V47-L69 HydrophobicContact CG1-CD1 3.58Å; V47-L69 HydrophobicContact CG1-CD2 4.14Å; I49-L69 HydrophobicContact CB-CD2 4.46Å; I49-L69 HydrophobicContact CD1-CB 3.69Å; I49-L69 HydrophobicContact CD1-CD2 3.61Å; I49-L69 HydrophobicContact CD1-CG 4.27Å; I49-L69 HydrophobicContact CG1-CD2 3.85Å; A65-L69 PolarHBondContact O-N 2.62Å; A65-L69 VanDerWaalsContact O-N 3.08Å; W66-L69 HydrophobicContact CE3-CB 4.34Å; W66-L69 HydrophobicContact CE3-CD2 4.34Å; W66-L69 HydrophobicContact CZ3-CD2 4.1Å; W66-L69 HydrophobicContact CZ3-CG 4.5Å; W66-L69 PolarHBondContact O-N 3.3Å; L69-W72 HydrophobicContact CD1-CD2 4.24Å; L69-W72 HydrophobicContact CD1-CE3 3.71Å; L69-W72 HydrophobicContact CD1-CZ3 4.32Å; L69-W72 PolarHBondContact O-N 2.87Å; L69-G73 PolarHBondContact O-N 2.86Å; L69-Y85 HydrophobicContact CD2-CD2 4.07Å; L69-Y85 HydrophobicContact CG-CD2 3.75Å; L69-Y85 HydrophobicContact CG-CG 4.19Å; L69-V304 HydrophobicContact CB-CG1 3.86Å; L69-V304 HydrophobicContact CD1-CG1 4.29Å
70	Q	98.6	Very high	97.5	Very high	75 Å²	75	47 Å²	47	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-40.7	171.4	-71.7	-179.9	-59.1	0	0	111.8	W66 E67 G73 K74 Y85	W66-Q70 HydrophobicContact CD2-CG 3.96Å; W66-Q70 VanDerWaalsContact CE2-CD 3.43Å; W66-Q70 HydrophobicContact CE3-CG 4.36Å; W66-Q70 HydrophobicContact CH2-CG 4.03Å; W66-Q70 HydrophobicContact CZ2-CG 3.55Å; W66-Q70 HydrophobicContact CZ3-CG 4.41Å; W66-Q70 WeakPolarHBondContact O-CG 3.27Å; W66-Q70 PolarHBondContact O-N 3.49Å; E67-Q70 PolarHBondContact O-N 3.41Å; Q70-G73 PolarHBondContact O-N 2.9Å; Q70-K74 WeakPolarHBondContact O-CB 3.31Å; Q70-K74 PolarHBondContact O-N 2.87Å; Q70-Y85 HydrophobicContact CB-CE2 4.45Å; Q70-Y85 HydrophobicContact CG-CE2 3.93Å
71	A	98.7	Very high	97.5	Very high	38 Å²	38	48 Å²	48	31%	0.314	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-45.6	175.5	0	0	0	0	0	111	E67 G68 K74 E75	E67-A71 WeakPolarHBondContact O-CB 3.38Å; E67-A71 PolarHBondContact O-N 3.44Å; G68-A71 WeakPolarHBondContact O-CB 3.41Å; G68-A71 PolarHBondContact O-N 3.18Å; A71-K74 PolarHBondContact O-N 2.82Å; A71-E75 WeakPolarHBondContact O-CB 3.31Å; A71-E75 PolarHBondContact O-N 2.83Å
72	W	98.4	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.9	-50.7	172	174.7	83.3	0	0	0	112.3	V47 G68 L69 K74 E75 H76 I78 Y85 Q305 S308 T309 L312	V47-W72 HydrophobicContact CB-CH2 4.32Å; V47-W72 HydrophobicContact CB-CZ3 4.33Å; V47-W72 HydrophobicContact CG2-CH2 3.57Å; V47-W72 HydrophobicContact CG2-CZ2 3.88Å; V47-W72 HydrophobicContact CG2-CZ3 4.02Å; G68-W72 PolarHBondContact O-N 3.25Å; L69-W72 HydrophobicContact CD1-CD2 4.24Å; L69-W72 HydrophobicContact CD1-CE3 3.71Å; L69-W72 HydrophobicContact CD1-CZ3 4.32Å; L69-W72 PolarHBondContact O-N 2.87Å; W72-K74 VanDerWaalsContact C-N 3.3Å; W72-K74 PolarHBondContact O-N 2.87Å; W72-E75 PolarHBondContact O-N 2.88Å; W72-H76 AromaticContact CD1-CD2 3.6Å; W72-H76 AromaticContact NE1-CD2 3.67Å; W72-H76 PolarHBondContact O-CD2 3.26Å; W72-H76 PolarHBondContact O-N 2.96Å; W72-I78 HydrophobicContact CH2-CB 4.47Å; W72-I78 HydrophobicContact CH2-CD1 3.26Å; W72-I78 HydrophobicContact CH2-CG1 4.42Å; W72-I78 HydrophobicContact CH2-CG2 4.19Å; W72-I78 HydrophobicContact CZ2-CD1 3.52Å; W72-I78 HydrophobicContact CZ3-CB 4.18Å; W72-I78 HydrophobicContact CZ3-CD1 3.78Å; W72-I78 HydrophobicContact CZ3-CG2 3.94Å; W72-Y85 HydrophobicContact CZ3-CD1 4.48Å; W72-Y85 HydrophobicContact CZ3-CG 4.46Å; W72-Q305 HydrophobicContact CB-CB 4.41Å; W72-Q305 HydrophobicContact CB-CG 4.03Å; W72-S308 VanDerWaalsContact CD1-CB 3.44Å; W72-S308 PolarHBondContact NE1-O 3.32Å; W72-T309 VanDerWaalsContact CD1-OG1 3.3Å; W72-L312 HydrophobicContact CZ2-CB 4.29Å; W72-L312 HydrophobicContact CZ2-CD2 4.34Å
73	G	97.4	Very high	96.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-40.4	-179.8	0	0	0	0	0	112.3	L69 Q70 D77 I78	L69-G73 PolarHBondContact O-N 2.86Å; Q70-G73 PolarHBondContact O-N 2.9Å; G73-D77 PolarHBondContact O-N 2.9Å; G73-D77 VanDerWaalsContact O-N 3.09Å; G73-I78 PolarHBondContact O-N 2.89Å
74	K	97.8	Very high	96.3	Very high	182 Å²	182	50 Å²	50	79%	0.791	26%	0.256	S	S	*	.	H	α-helix	trans	-66.8	-41.6	175.3	-178.2	-177.6	175.5	-173.6	0	112.6	Q70 A71 W72 H76	Q70-K74 WeakPolarHBondContact O-CB 3.31Å; Q70-K74 PolarHBondContact O-N 2.87Å; A71-K74 PolarHBondContact O-N 2.82Å; W72-K74 VanDerWaalsContact C-N 3.3Å; W72-K74 PolarHBondContact O-N 2.87Å; K74-H76 VanDerWaalsContact C-N 3.33Å
75	E	97.8	Very high	96.3	Very high	112 Å²	112	50.6 Å²	50.6	52%	0.523	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-39.1	-179.6	-174.5	-172.6	152	0	0	111.9	A71 W72 Q305	A71-E75 WeakPolarHBondContact O-CB 3.31Å; A71-E75 PolarHBondContact O-N 2.83Å; W72-E75 PolarHBondContact O-N 2.88Å; E75-Q305 PolarHBondContact OE2-NE2 3.05Å
76	H	96.3	Very high	96.3	Very high	61 Å²	61	52.7 Å²	52.7	28%	0.282	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	8	-174.9	-64.8	-71.1	0	0	0	114.3	W72 K74 I78 T309 L312	W72-H76 AromaticContact CD1-CD2 3.6Å; W72-H76 AromaticContact NE1-CD2 3.67Å; W72-H76 PolarHBondContact O-CD2 3.26Å; W72-H76 PolarHBondContact O-N 2.96Å; K74-H76 VanDerWaalsContact C-N 3.33Å; H76-I78 VanDerWaalsContact C-N 3.26Å; H76-I78 HydrophobicContact CB-CD1 3.86Å; H76-I78 HydrophobicContact CB-CG1 4.08Å; H76-I78 PolarHBondContact O-N 3.38Å; H76-T309 PolarHBondContact NE2-OG1 2.68Å; H76-L312 HydrophobicContact CB-CD2 3.83Å; H76-L312 VanDerWaalsContact CG-CD2 3.48Å
77	D	95.1	Very high	96.3	Very high	90 Å²	90	54.8 Å²	54.8	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.3	-177.8	-163.4	34.1	0	0	0	113.4	A39 K40 G73	A39-D77 VanDerWaalsContact CA-OD2 3.27Å; A39-D77 WeakPolarHBondContact CA-OD2 3.44Å; A39-D77 WeakPolarHBondContact CB-O 3.27Å; A39-D77 WeakPolarHBondContact CB-OD1 3.36Å; K40-D77 PolarHBondContact N-O 3.17Å; G73-D77 PolarHBondContact O-N 2.9Å; G73-D77 VanDerWaalsContact O-N 3.09Å
78	I	95.6	Very high	96.3	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.067	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-100.5	131.7	177.8	-61.5	172.8	0	0	0	108.3	W72 G73 H76 G84 Y85 L312	W72-I78 HydrophobicContact CH2-CB 4.47Å; W72-I78 HydrophobicContact CH2-CD1 3.26Å; W72-I78 HydrophobicContact CH2-CG1 4.42Å; W72-I78 HydrophobicContact CH2-CG2 4.19Å; W72-I78 HydrophobicContact CZ2-CD1 3.52Å; W72-I78 HydrophobicContact CZ3-CB 4.18Å; W72-I78 HydrophobicContact CZ3-CD1 3.78Å; W72-I78 HydrophobicContact CZ3-CG2 3.94Å; G73-I78 PolarHBondContact O-N 2.89Å; H76-I78 VanDerWaalsContact C-N 3.26Å; H76-I78 HydrophobicContact CB-CD1 3.86Å; H76-I78 HydrophobicContact CB-CG1 4.08Å; H76-I78 PolarHBondContact O-N 3.38Å; I78-G84 VanDerWaalsContact CG2-CA 3.46Å; I78-Y85 HydrophobicContact CG2-CD1 4.29Å; I78-Y85 WeakPolarHBondContact O-CE1 3.37Å; I78-L312 HydrophobicContact CD1-CD1 4.19Å; I78-L312 HydrophobicContact CD1-CD2 4.2Å
79	K	95.1	Very high	96.2	Very high	100 Å²	100	54 Å²	54	44%	0.435	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-83	154.4	-176.1	-76	171.8	171.2	130.6	0	113	A39 G84 Y85	A39-K79 HydrophobicContact CB-CD 4.12Å; A39-K79 HydrophobicContact CB-CG 3.91Å; A39-K79 PolarHBondContact O-NZ 3.22Å; K79-G84 VanDerWaalsContact O-CA 3.28Å; K79-G84 WeakPolarHBondContact O-CA 3.22Å; K79-Y85 VanDerWaalsContact C-CE1 3.5Å; K79-Y85 WeakPolarHBondContact O-CD1 3.31Å; K79-Y85 PolarHBondContact O-N 3.36Å
80	K	96.7	Very high	96.2	Very high	108 Å²	108	54 Å²	54	47%	0.47	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-69.4	129.9	166.6	-173.9	179	-179.6	175.1	0	110	W66 Y85 N86	W66-K80 HydrophobicContact CH2-CD 3.91Å; W66-K80 HydrophobicContact CH2-CG 4.28Å; W66-K80 HydrophobicContact CZ2-CD 4.05Å; K80-Y85 CarbonylContact C-O 3.52Å; K80-Y85 WeakPolarHBondContact CA-O 3.35Å; K80-Y85 HydrophobicContact CB-CE1 4.13Å; K80-Y85 HydrophobicContact CB-CE2 4.36Å; K80-Y85 WeakPolarHBondContact CG-O 3.46Å; K80-N86 WeakPolarHBondContact CE-OD1 3.41Å
81	G	94.6	Very high	95.9	Very high	23 Å²	23	55.2 Å²	55.2	24%	0.237	28%	0.28	C	S	.	.	S	Bend	trans	137.8	-177.6	177.6	0	0	0	0	0	113.2	G83 G84 Y85	G81-G83 PolarHBondContact O-N 3.34Å; G81-G84 CarbonylContact O-C 3.58Å; G81-G84 PolarHBondContact O-N 3.36Å; G81-G84 VanDerWaalsContact O-N 3.07Å; G81-Y85 PolarHBondContact N-O 2.91Å
82	T	85.5	Confident	95.7	Very high	103 Å²	103	57.3 Å²	57.3	63%	0.632	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	131.5	174.3	-55.1	0	0	0	0	110.3	G84 N106	T82-G84 VanDerWaalsContact C-N 3.25Å; T82-G84 PolarHBondContact O-N 2.87Å; T82-N106 WeakPolarHBondContact CG2-O 3.37Å
83	G	87.9	Confident	95.5	Very high	10 Å²	10	59.8 Å²	59.8	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-4.4	-176.1	0	0	0	0	0	114.7	D42 A43 G81	D42-G83 CarbonylContact C-O 3.6Å; D42-G83 PolarHBondContact N-O 3.31Å; A43-G83 PolarHBondContact N-O 2.75Å; G81-G83 PolarHBondContact O-N 3.34Å
84	G	95.9	Very high	95.4	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.01	34%	0.339	C	S	.	.	S	Bend	trans	-121.6	-120.5	169.6	0	0	0	0	0	110.4	S46 V47 I78 K79 G81 T82	S46-G84 CarbonylContact C-O 3.5Å; S46-G84 WeakPolarHBondContact CA-O 3.47Å; S46-G84 WeakPolarHBondContact CB-O 3.5Å; V47-G84 PolarHBondContact N-O 2.87Å; I78-G84 VanDerWaalsContact CG2-CA 3.46Å; K79-G84 VanDerWaalsContact O-CA 3.28Å; K79-G84 WeakPolarHBondContact O-CA 3.22Å; G81-G84 CarbonylContact O-C 3.58Å; G81-G84 PolarHBondContact O-N 3.36Å; G81-G84 VanDerWaalsContact O-N 3.07Å; T82-G84 VanDerWaalsContact C-N 3.25Å; T82-G84 PolarHBondContact O-N 2.87Å
85	Y	98.2	Very high	95.4	Very high	27 Å²	27	58.7 Å²	58.7	11%	0.106	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.2	173.9	71.4	-76.1	0	0	0	114.3	V47 W66 L69 Q70 W72 I78 K79 K80 G81	V47-Y85 CarbonylContact O-C 3.57Å; V47-Y85 WeakPolarHBondContact O-CA 3.49Å; W66-Y85 AromaticContact CH2-CD2 3.58Å; W66-Y85 HydrophobicContact CH2-CD2 3.58Å; W66-Y85 AromaticContact CH2-CE2 3.29Å; W66-Y85 HydrophobicContact CH2-CE2 3.29Å; W66-Y85 HydrophobicContact CZ2-CE2 4.11Å; W66-Y85 AromaticContact CZ3-CD2 3.54Å; W66-Y85 HydrophobicContact CZ3-CD2 3.54Å; W66-Y85 AromaticContact CZ3-CE2 3.67Å; W66-Y85 HydrophobicContact CZ3-CE2 3.67Å; L69-Y85 HydrophobicContact CD2-CD2 4.07Å; L69-Y85 HydrophobicContact CG-CD2 3.75Å; L69-Y85 HydrophobicContact CG-CG 4.19Å; Q70-Y85 HydrophobicContact CB-CE2 4.45Å; Q70-Y85 HydrophobicContact CG-CE2 3.93Å; W72-Y85 HydrophobicContact CZ3-CD1 4.48Å; W72-Y85 HydrophobicContact CZ3-CG 4.46Å; I78-Y85 HydrophobicContact CG2-CD1 4.29Å; I78-Y85 WeakPolarHBondContact O-CE1 3.37Å; K79-Y85 VanDerWaalsContact C-CE1 3.5Å; K79-Y85 WeakPolarHBondContact O-CD1 3.31Å; K79-Y85 PolarHBondContact O-N 3.36Å; K80-Y85 CarbonylContact C-O 3.52Å; K80-Y85 WeakPolarHBondContact CA-O 3.35Å; K80-Y85 HydrophobicContact CB-CE1 4.13Å; K80-Y85 HydrophobicContact CB-CE2 4.36Å; K80-Y85 WeakPolarHBondContact CG-O 3.46Å; G81-Y85 PolarHBondContact N-O 2.91Å
86	N	98.1	Very high	95.5	Very high	43 Å²	43	53.5 Å²	53.5	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	179.1	172.2	-151	2	0	0	0	112.1	V47 A48 I49 K80 F108	V47-N86 PolarHBondContact O-N 3.29Å; A48-N86 VanDerWaalsContact CA-O 3.31Å; A48-N86 WeakPolarHBondContact CA-O 3.08Å; I49-N86 PolarHBondContact N-O 2.94Å; K80-N86 WeakPolarHBondContact CE-OD1 3.41Å; N86-F108 HydrophobicContact CB-CE1 4.13Å; N86-F108 HydrophobicContact CB-CE2 4.38Å; N86-F108 HydrophobicContact CB-CZ 3.57Å
87	Y	98.3	Very high	95.6	Very high	64 Å²	64	57 Å²	57	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.9	165	70.3	-91.4	0	0	0	110.7	I49 V56 W66 Q89	I49-Y87 CarbonylContact O-C 3.54Å; I49-Y87 WeakPolarHBondContact O-CA 3.28Å; V56-Y87 HydrophobicContact CG1-CD1 4.13Å; V56-Y87 HydrophobicContact CG1-CD2 3.6Å; V56-Y87 HydrophobicContact CG1-CE1 4.29Å; V56-Y87 HydrophobicContact CG1-CE2 3.8Å; V56-Y87 HydrophobicContact CG1-CG 3.78Å; V56-Y87 HydrophobicContact CG2-CD2 4.49Å; V56-Y87 HydrophobicContact CG2-CE1 4.06Å; V56-Y87 HydrophobicContact CG2-CE2 3.84Å; W66-Y87 AromaticContact CD2-CD1 3.72Å; W66-Y87 HydrophobicContact CD2-CD1 3.72Å; W66-Y87 HydrophobicContact CD2-CE1 4.28Å; W66-Y87 AromaticContact CE2-CD1 3.78Å; W66-Y87 AromaticContact CE2-CE1 3.95Å; W66-Y87 AromaticContact CE3-CD1 3.69Å; W66-Y87 HydrophobicContact CE3-CD1 3.69Å; W66-Y87 HydrophobicContact CE3-CG 4.32Å; W66-Y87 HydrophobicContact CG-CD1 4.45Å; W66-Y87 AromaticContact CH2-CD1 3.84Å; W66-Y87 HydrophobicContact CH2-CD1 3.84Å; W66-Y87 HydrophobicContact CH2-CE1 4.41Å; W66-Y87 AromaticContact CZ2-CD1 3.87Å; W66-Y87 HydrophobicContact CZ2-CD1 3.87Å; W66-Y87 HydrophobicContact CZ2-CE1 4.05Å; W66-Y87 AromaticContact CZ3-CD1 3.74Å; W66-Y87 HydrophobicContact CZ3-CD1 3.74Å; Y87-Q89 HydrophobicContact CD2-CB 4.26Å; Y87-Q89 HydrophobicContact CE2-CB 4.16Å
88	I	98.4	Very high	95.8	Very high	22 Å²	22	59.1 Å²	59.1	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.3	167.4	-54.2	179.2	0	0	0	106	I49 V50 T51 N99 Q102 A103	I49-I88 PolarHBondContact O-N 3.02Å; V50-I88 WeakPolarHBondContact CA-O 3.36Å; T51-I88 PolarHBondContact N-O 2.89Å; T51-I88 VanDerWaalsContact N-O 3.1Å; I88-N99 HydrophobicContact CB-CB 4.42Å; I88-N99 WeakPolarHBondContact CD1-O 3.27Å; I88-N99 HydrophobicContact CG2-CB 3.69Å; I88-Q102 HydrophobicContact CD1-CB 4.06Å; I88-Q102 HydrophobicContact CD1-CG 3.98Å; I88-A103 HydrophobicContact CD1-CB 3.9Å
89	Q	97.2	Very high	95.9	Very high	61 Å²	61	58.9 Å²	58.9	29%	0.285	31%	0.313	S	S	.	.			trans	-89.8	136.7	-176.4	175.9	170.1	-41.2	0	0	110.6	T51 G55 Y87 N99	T51-Q89 WeakPolarHBondContact OG1-CA 3.49Å; G55-Q89 VanDerWaalsContact CA-OE1 3.27Å; Y87-Q89 HydrophobicContact CD2-CB 4.26Å; Y87-Q89 HydrophobicContact CE2-CB 4.16Å; Q89-N99 PolarHBondContact O-ND2 3.09Å
90	S	97.8	Very high	96.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.			trans	-101.6	134.2	172.3	-45.3	0	0	0	0	109.9	T51 E95 Y96 N99	T51-S90 VanDerWaalsContact O-CB 3.26Å; T51-S90 WeakPolarHBondContact O-CB 3.18Å; T51-S90 PolarHBondContact O-OG 3.48Å; T51-S90 PolarHBondContact OG1-N 3.22Å; S90-E95 WeakPolarHBondContact CA-OE2 3.42Å; S90-Y96 VanDerWaalsContact CB-CE1 3.41Å; S90-Y96 WeakPolarHBondContact OG-CD1 3.1Å; S90-N99 PolarHBondContact OG-ND2 2.9Å
91	N	93.9	Very high	96.2	Very high	101 Å²	101	52.1 Å²	52.1	54%	0.54	29%	0.292	S	S	.	.	S	Bend	trans	-101.5	-19.5	175.8	-52.5	-74	0	0	0	111.9	E95	N91-E95 PolarHBondContact N-OE2 3.21Å; N91-E95 PolarHBondContact ND2-OE2 3.32Å
92	D	93.7	Very high	96.4	Very high	82 Å²	82	55 Å²	55	44%	0.439	30%	0.299	S	S	.	.	S	Bend	trans	-147.7	153.2	178.1	-175.3	-91	0	0	0	109.7	S94 E95	D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.14Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 2.95Å; D92-E95 WeakPolarHBondContact O-CB 3.48Å; D92-E95 PolarHBondContact O-N 3.2Å
93	A	93.2	Very high	97	Very high	52 Å²	52	50.1 Å²	50.1	43%	0.43	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.4	-27.2	-179.5	0	0	0	0	0	113.3	E95 Y96	A93-E95 PolarHBondContact O-N 3.28Å; A93-Y96 VanDerWaalsContact CA-CE2 3.46Å; A93-Y96 HydrophobicContact CB-CD2 4.07Å; A93-Y96 HydrophobicContact CB-CE2 3.57Å; A93-Y96 VanDerWaalsContact O-CD2 3.28Å; A93-Y96 WeakPolarHBondContact O-CD2 3.43Å; A93-Y96 PolarHBondContact O-N 3.34Å
94	S	96.6	Very high	97.5	Very high	99 Å²	99	50.8 Å²	50.8	69%	0.692	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.9	-15	174	61.5	0	0	0	0	113.9	D92	D92-S94 PolarHBondContact O-N 2.96Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.14Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 2.95Å
95	E	98.4	Very high	97.5	Very high	60 Å²	60	56 Å²	56	28%	0.28	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-85.9	-14.8	178	-59.1	-176.2	160.8	0	0	113	S90 N91 D92 A93 E97 Q98 N99	S90-E95 WeakPolarHBondContact CA-OE2 3.42Å; N91-E95 PolarHBondContact N-OE2 3.21Å; N91-E95 PolarHBondContact ND2-OE2 3.32Å; D92-E95 WeakPolarHBondContact O-CB 3.48Å; D92-E95 PolarHBondContact O-N 3.2Å; A93-E95 PolarHBondContact O-N 3.28Å; E95-E97 PolarHBondContact O-N 3.47Å; E95-Q98 PolarHBondContact O-N 3.06Å; E95-N99 VanDerWaalsContact O-CB 3.32Å; E95-N99 WeakPolarHBondContact O-CB 3.5Å; E95-N99 PolarHBondContact O-N 2.89Å; E95-N99 PolarHBondContact O-ND2 2.92Å
96	Y	98.7	Very high	97.4	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-51.6	-171.5	-63.9	-24.5	0	0	0	113.5	D52 S90 A93 Q98 N99 I100 L117 L118 P121	D52-Y96 PolarHBondContact OD1-OH 3.07Å; S90-Y96 VanDerWaalsContact CB-CE1 3.41Å; S90-Y96 WeakPolarHBondContact OG-CD1 3.1Å; A93-Y96 VanDerWaalsContact CA-CE2 3.46Å; A93-Y96 HydrophobicContact CB-CD2 4.07Å; A93-Y96 HydrophobicContact CB-CE2 3.57Å; A93-Y96 VanDerWaalsContact O-CD2 3.28Å; A93-Y96 WeakPolarHBondContact O-CD2 3.43Å; A93-Y96 PolarHBondContact O-N 3.34Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å; Y96-Q98 PolarHBondContact O-N 3.33Å; Y96-N99 PolarHBondContact O-N 3.28Å; Y96-I100 WeakPolarHBondContact O-CB 3.21Å; Y96-I100 WeakPolarHBondContact O-CD1 3.48Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.34Å; Y96-L117 HydrophobicContact CE2-CB 3.78Å; Y96-L118 HydrophobicContact CD1-CD1 4.31Å; Y96-L118 HydrophobicContact CD1-CD2 4.09Å; Y96-L118 HydrophobicContact CD1-CG 3.98Å; Y96-L118 HydrophobicContact CD2-CD1 4.41Å; Y96-L118 HydrophobicContact CD2-CG 3.99Å; Y96-L118 HydrophobicContact CE1-CD1 4.06Å; Y96-L118 HydrophobicContact CE1-CG 4.25Å; Y96-L118 HydrophobicContact CE2-CD1 4.15Å; Y96-L118 HydrophobicContact CE2-CG 4.24Å; Y96-L118 HydrophobicContact CG-CD2 4.28Å; Y96-L118 HydrophobicContact CG-CG 3.88Å; Y96-P121 HydrophobicContact CD2-CG 4.4Å
97	E	98.6	Very high	97.3	Very high	135 Å²	135	57.2 Å²	57.2	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-61.5	-43.2	179.9	-67.6	-175.5	174.7	0	0	111.7	E95 S101 P121	E95-E97 PolarHBondContact O-N 3.47Å; E97-S101 VanDerWaalsContact O-CB 3.25Å; E97-S101 WeakPolarHBondContact O-CB 3.28Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-P121 HydrophobicContact CG-CB 3.93Å; E97-P121 HydrophobicContact CG-CG 4.11Å
98	Q	98.4	Very high	97.3	Very high	133 Å²	133	54.4 Å²	54.4	62%	0.621	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-44.8	178.4	-177	-173.8	-58.3	0	0	111.1	E95 Y96 S101 Q102	E95-Q98 PolarHBondContact O-N 3.06Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å; Y96-Q98 PolarHBondContact O-N 3.33Å; Q98-S101 PolarHBondContact O-N 3.44Å; Q98-Q102 WeakPolarHBondContact O-CB 3.37Å; Q98-Q102 PolarHBondContact O-N 2.83Å
99	N	98.8	Very high	97.2	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.043	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-40.4	-178.3	-72.4	-13.9	0	0	0	111.5	V50 I88 Q89 S90 E95 Y96 Q102 A103	V50-N99 HydrophobicContact CG1-CB 3.63Å; V50-N99 HydrophobicContact CG2-CB 4.44Å; I88-N99 HydrophobicContact CB-CB 4.42Å; I88-N99 WeakPolarHBondContact CD1-O 3.27Å; I88-N99 HydrophobicContact CG2-CB 3.69Å; Q89-N99 PolarHBondContact O-ND2 3.09Å; S90-N99 PolarHBondContact OG-ND2 2.9Å; E95-N99 VanDerWaalsContact O-CB 3.32Å; E95-N99 WeakPolarHBondContact O-CB 3.5Å; E95-N99 PolarHBondContact O-N 2.89Å; E95-N99 PolarHBondContact O-ND2 2.92Å; Y96-N99 PolarHBondContact O-N 3.28Å; N99-Q102 PolarHBondContact O-N 2.95Å; N99-A103 PolarHBondContact O-N 3.35Å
100	I	98.9	Very high	97.3	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-47.2	173.3	-66.3	162	0	0	0	110.5	V50 Y96 Q102 A103 V104 V111 P121 I122 A125 F134	V50-I100 HydrophobicContact CB-CG1 4.18Å; V50-I100 HydrophobicContact CG1-CG1 4.22Å; V50-I100 HydrophobicContact CG2-CG1 3.89Å; Y96-I100 WeakPolarHBondContact O-CB 3.21Å; Y96-I100 WeakPolarHBondContact O-CD1 3.48Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.34Å; I100-Q102 VanDerWaalsContact C-N 3.26Å; I100-Q102 PolarHBondContact O-N 2.88Å; I100-A103 WeakPolarHBondContact O-CB 3.29Å; I100-A103 PolarHBondContact O-N 3.13Å; I100-A103 VanDerWaalsContact O-N 3.11Å; I100-V104 WeakPolarHBondContact O-CG2 3.29Å; I100-V104 PolarHBondContact O-N 2.94Å; I100-V111 HydrophobicContact CG2-CG1 4.38Å; I100-P121 HydrophobicContact CD1-CB 3.46Å; I100-P121 VanDerWaalsContact CD1-CB 3.46Å; I100-I122 HydrophobicContact CD1-CD1 3.75Å; I100-I122 HydrophobicContact CD1-CG1 3.89Å; I100-I122 HydrophobicContact CG1-CD1 4.1Å; I100-I122 HydrophobicContact CG2-CD1 4.39Å; I100-A125 HydrophobicContact CG2-CB 3.39Å; I100-F134 HydrophobicContact CG2-CE1 3.94Å
101	S	98.5	Very high	97.4	Very high	66 Å²	66	54.5 Å²	54.5	46%	0.462	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-37.9	176.4	-177.6	0	0	0	0	112.2	E97 Q98 V104 T105	E97-S101 VanDerWaalsContact O-CB 3.25Å; E97-S101 WeakPolarHBondContact O-CB 3.28Å; E97-S101 PolarHBondContact O-N 3.42Å; Q98-S101 PolarHBondContact O-N 3.44Å; S101-V104 PolarHBondContact O-N 3.36Å; S101-T105 VanDerWaalsContact O-CB 3.31Å; S101-T105 WeakPolarHBondContact O-CB 3.44Å; S101-T105 PolarHBondContact O-N 3.2Å; S101-T105 PolarHBondContact O-OG1 2.9Å
102	Q	98.5	Very high	97.6	Very high	83 Å²	83	49.7 Å²	49.7	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-42.1	174.5	-176.3	-178.3	4.3	0	0	111.8	I88 Q98 N99 I100 V104 T105 N106	I88-Q102 HydrophobicContact CD1-CB 4.06Å; I88-Q102 HydrophobicContact CD1-CG 3.98Å; Q98-Q102 WeakPolarHBondContact O-CB 3.37Å; Q98-Q102 PolarHBondContact O-N 2.83Å; N99-Q102 PolarHBondContact O-N 2.95Å; I100-Q102 VanDerWaalsContact C-N 3.26Å; I100-Q102 PolarHBondContact O-N 2.88Å; Q102-V104 VanDerWaalsContact C-N 3.34Å; Q102-V104 PolarHBondContact O-N 3.4Å; Q102-T105 PolarHBondContact O-N 3Å; Q102-N106 VanDerWaalsContact O-CB 3.27Å; Q102-N106 WeakPolarHBondContact O-CB 3.38Å; Q102-N106 PolarHBondContact O-N 2.89Å; Q102-N106 PolarHBondContact O-ND2 3.27Å
103	A	98.4	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-46.4	175.7	0	0	0	0	0	111.3	A48 V50 I88 N99 I100 N106 G107 F108 V111	A48-A103 HydrophobicContact CB-CB 3.97Å; V50-A103 HydrophobicContact CG2-CB 4.45Å; I88-A103 HydrophobicContact CD1-CB 3.9Å; N99-A103 PolarHBondContact O-N 3.35Å; I100-A103 WeakPolarHBondContact O-CB 3.29Å; I100-A103 PolarHBondContact O-N 3.13Å; I100-A103 VanDerWaalsContact O-N 3.11Å; A103-N106 PolarHBondContact O-N 2.79Å; A103-G107 PolarHBondContact O-N 2.95Å; A103-F108 HydrophobicContact CB-CD2 4.37Å; A103-F108 WeakPolarHBondContact O-CD2 3.28Å; A103-F108 PolarHBondContact O-N 3.33Å; A103-F108 VanDerWaalsContact O-N 3.17Å; A103-V111 HydrophobicContact CB-CG1 3.94Å; A103-V111 HydrophobicContact CB-CG2 3.9Å
104	V	98.2	Very high	98.1	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-47.9	176.1	176.2	0	0	0	0	111.3	I100 S101 Q102 N106 G107 V111 N129 T132 F134	I100-V104 WeakPolarHBondContact O-CG2 3.29Å; I100-V104 PolarHBondContact O-N 2.94Å; S101-V104 PolarHBondContact O-N 3.36Å; Q102-V104 VanDerWaalsContact C-N 3.34Å; Q102-V104 PolarHBondContact O-N 3.4Å; V104-N106 VanDerWaalsContact C-N 3.27Å; V104-N106 PolarHBondContact O-N 2.9Å; V104-G107 WeakPolarHBondContact O-CA 3.38Å; V104-G107 PolarHBondContact O-N 2.77Å; V104-V111 HydrophobicContact CG2-CG2 4.37Å; V104-N129 HydrophobicContact CG1-CB 4.41Å; V104-N129 WeakPolarHBondContact CG1-OD1 3.4Å; V104-T132 HydrophobicContact CG2-CG2 4.4Å; V104-F134 HydrophobicContact CG2-CE1 3.95Å; V104-F134 HydrophobicContact CG2-CZ 3.8Å
105	T	97.3	Very high	98.2	Very high	110 Å²	110	38.6 Å²	38.6	68%	0.675	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-35.4	179.7	-61.7	0	0	0	0	112.1	S101 Q102 G107	S101-T105 VanDerWaalsContact O-CB 3.31Å; S101-T105 WeakPolarHBondContact O-CB 3.44Å; S101-T105 PolarHBondContact O-N 3.2Å; S101-T105 PolarHBondContact O-OG1 2.9Å; Q102-T105 PolarHBondContact O-N 3Å; T105-G107 PolarHBondContact O-N 2.87Å
106	N	96.1	Very high	98.1	Very high	66 Å²	66	37.6 Å²	37.6	35%	0.353	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2	174.1	-71.8	-17	0	0	0	113.2	T82 Q102 A103 V104 F108	T82-N106 WeakPolarHBondContact CG2-O 3.37Å; Q102-N106 VanDerWaalsContact O-CB 3.27Å; Q102-N106 WeakPolarHBondContact O-CB 3.38Å; Q102-N106 PolarHBondContact O-N 2.89Å; Q102-N106 PolarHBondContact O-ND2 3.27Å; A103-N106 PolarHBondContact O-N 2.79Å; V104-N106 VanDerWaalsContact C-N 3.27Å; V104-N106 PolarHBondContact O-N 2.9Å; N106-F108 HydrophobicContact CB-CD2 3.97Å; N106-F108 HydrophobicContact CB-CE2 3.97Å
107	G	95	Very high	98	Very high	31 Å²	31	40 Å²	40	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	19	173.8	0	0	0	0	0	114.6	S46 A103 V104 T105	S46-G107 PolarHBondContact OG-O 3.03Å; A103-G107 PolarHBondContact O-N 2.95Å; V104-G107 WeakPolarHBondContact O-CA 3.38Å; V104-G107 PolarHBondContact O-N 2.77Å; T105-G107 PolarHBondContact O-N 2.87Å
108	F	98	Very high	97.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	18%	0.183	C	C	.	.			trans	-65.5	134.1	170.2	-70.4	-77.1	0	0	0	110.3	S46 V47 A48 N86 A103 N106 V111	S46-F108 WeakPolarHBondContact OG-CA 3.28Å; V47-F108 VanDerWaalsContact C-CD1 3.43Å; V47-F108 WeakPolarHBondContact O-CD1 3.26Å; V47-F108 WeakPolarHBondContact O-CE1 3.4Å; A48-F108 HydrophobicContact CB-CB 3.84Å; A48-F108 HydrophobicContact CB-CD1 3.78Å; A48-F108 HydrophobicContact CB-CD2 3.61Å; A48-F108 HydrophobicContact CB-CE1 4.22Å; A48-F108 HydrophobicContact CB-CE2 4.07Å; A48-F108 HydrophobicContact CB-CG 3.45Å; A48-F108 VanDerWaalsContact CB-CG 3.45Å; A48-F108 HydrophobicContact CB-CZ 4.37Å; N86-F108 HydrophobicContact CB-CE1 4.13Å; N86-F108 HydrophobicContact CB-CE2 4.38Å; N86-F108 HydrophobicContact CB-CZ 3.57Å; A103-F108 HydrophobicContact CB-CD2 4.37Å; A103-F108 WeakPolarHBondContact O-CD2 3.28Å; A103-F108 PolarHBondContact O-N 3.33Å; A103-F108 VanDerWaalsContact O-N 3.17Å; N106-F108 HydrophobicContact CB-CD2 3.97Å; N106-F108 HydrophobicContact CB-CE2 3.97Å; F108-V111 HydrophobicContact CB-CG2 4.21Å
109	K	97.6	Very high	97.9	Very high	84 Å²	84	27.7 Å²	27.7	37%	0.365	16%	0.157	S	C	.	.	S	Bend	trans	-94	-26.2	-173.8	-66.1	-63	179	-168.7	0	113.8	A43 K44 S46 N133	A43-K109 WeakPolarHBondContact O-CG 3.49Å; K44-K109 WeakPolarHBondContact O-CG 3.31Å; S46-K109 PolarHBondContact O-N 3.36Å; S46-K109 PolarHBondContact OG-N 2.83Å; K109-N133 WeakPolarHBondContact O-CB 3.38Å; K109-N133 PolarHBondContact O-N 3.46Å
110	T	98.8	Very high	97.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.2	166.3	-51.7	0	0	0	0	109.2	S46 V47 A48 F112 N133 V135 A311 F316	S46-T110 PolarHBondContact O-N 3.43Å; V47-T110 CarbonylContact C-O 3.46Å; V47-T110 VanDerWaalsContact CA-O 3.31Å; V47-T110 WeakPolarHBondContact CA-O 3.44Å; A48-T110 PolarHBondContact N-O 2.86Å; T110-F112 HydrophobicContact CG2-CD2 4.08Å; T110-F112 HydrophobicContact CG2-CE2 3.63Å; T110-F112 HydrophobicContact CG2-CZ 4.39Å; T110-N133 CarbonylContact C-O 3.24Å; T110-N133 VanDerWaalsContact CA-O 3.27Å; T110-N133 WeakPolarHBondContact CA-O 3.3Å; T110-N133 HydrophobicContact CG2-CB 4.11Å; T110-V135 HydrophobicContact CG2-CG2 3.98Å; T110-A311 WeakPolarHBondContact OG1-CB 3.47Å; T110-F316 HydrophobicContact CG2-CE2 4.14Å
111	V	98.9	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.2	179.2	-178	0	0	0	0	109.5	A48 V50 I100 A103 V104 F108 T132 N133 F134 V135	A48-V111 CarbonylContact O-C 3.58Å; A48-V111 WeakPolarHBondContact O-CA 3.47Å; V50-V111 HydrophobicContact CG2-CG1 4.17Å; I100-V111 HydrophobicContact CG2-CG1 4.38Å; A103-V111 HydrophobicContact CB-CG1 3.94Å; A103-V111 HydrophobicContact CB-CG2 3.9Å; V104-V111 HydrophobicContact CG2-CG2 4.37Å; F108-V111 HydrophobicContact CB-CG2 4.21Å; V111-T132 HydrophobicContact CG2-CG2 4.2Å; V111-N133 PolarHBondContact N-O 3.21Å; V111-F134 HydrophobicContact CB-CD1 3.91Å; V111-F134 HydrophobicContact CB-CE1 4.04Å; V111-F134 HydrophobicContact CG1-CD1 4.41Å; V111-F134 HydrophobicContact CG1-CE1 4.46Å; V111-F134 HydrophobicContact CG2-CE1 4.44Å; V111-F134 CarbonylContact O-C 3.51Å; V111-F134 VanDerWaalsContact O-CA 3.31Å; V111-F134 WeakPolarHBondContact O-CA 3.23Å; V111-V135 PolarHBondContact O-N 3.3Å
112	F	98.9	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.9	174.7	-71.9	-106.3	0	0	0	110	V47 A48 I49 V50 T110 I114 V135 I137 V304 I307 S308	V47-F112 HydrophobicContact CG1-CD2 3.65Å; V47-F112 HydrophobicContact CG1-CE2 3.5Å; V47-F112 VanDerWaalsContact CG1-CE2 3.5Å; A48-F112 PolarHBondContact O-N 3.36Å; I49-F112 HydrophobicContact CG1-CB 3.98Å; I49-F112 HydrophobicContact CG1-CG 4.45Å; V50-F112 PolarHBondContact N-O 3.05Å; T110-F112 HydrophobicContact CG2-CD2 4.08Å; T110-F112 HydrophobicContact CG2-CE2 3.63Å; T110-F112 HydrophobicContact CG2-CZ 4.39Å; F112-I114 HydrophobicContact CB-CD1 3.87Å; F112-I114 HydrophobicContact CB-CG1 4.46Å; F112-I114 HydrophobicContact CD1-CD1 4.38Å; F112-V135 CarbonylContact C-O 3.17Å; F112-V135 WeakPolarHBondContact CA-O 3.44Å; F112-V135 HydrophobicContact CB-CB 4.44Å; F112-V135 HydrophobicContact CD1-CB 3.43Å; F112-V135 VanDerWaalsContact CD1-CB 3.43Å; F112-V135 HydrophobicContact CD1-CG1 3.53Å; F112-V135 HydrophobicContact CD1-CG2 3.93Å; F112-V135 HydrophobicContact CD2-CB 4.41Å; F112-V135 HydrophobicContact CD2-CG2 4.3Å; F112-V135 HydrophobicContact CE1-CB 3.65Å; F112-V135 HydrophobicContact CE1-CG1 3.53Å; F112-V135 HydrophobicContact CE1-CG2 3.7Å; F112-V135 HydrophobicContact CE2-CG2 4.09Å; F112-V135 HydrophobicContact CG-CB 3.84Å; F112-V135 HydrophobicContact CG-CG1 4.42Å; F112-V135 HydrophobicContact CG-CG2 4.22Å; F112-V135 HydrophobicContact CZ-CB 4.24Å; F112-V135 HydrophobicContact CZ-CG1 4.43Å; F112-V135 HydrophobicContact CZ-CG2 3.79Å; F112-I137 HydrophobicContact CD1-CD1 4.36Å; F112-V304 HydrophobicContact CD1-CG2 3.95Å; F112-V304 HydrophobicContact CE1-CB 4.24Å; F112-V304 HydrophobicContact CE1-CG1 4.34Å; F112-V304 HydrophobicContact CE1-CG2 4Å; F112-V304 HydrophobicContact CZ-CG1 4.36Å; F112-I307 HydrophobicContact CE1-CB 4.12Å; F112-I307 HydrophobicContact CE1-CD1 4.35Å; F112-I307 HydrophobicContact CE1-CG2 4.14Å; F112-I307 HydrophobicContact CZ-CB 3.89Å; F112-I307 HydrophobicContact CZ-CG2 3.77Å; F112-S308 WeakPolarHBondContact CE2-OG 3.49Å; F112-S308 WeakPolarHBondContact CZ-OG 3.43Å
113	G	98.9	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.3	157.1	0	0	0	0	0	109.2	V135 I137	G113-V135 PolarHBondContact N-O 3.19Å; G113-I137 PolarHBondContact O-N 3.28Å
114	I	98.6	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	96.8	-177.2	-56.5	-58.8	0	0	0	108.5	I49 V50 D52 F61 A65 F112 L118 I137 V304	I49-I114 HydrophobicContact CB-CG1 4.36Å; I49-I114 HydrophobicContact CG1-CD1 4.27Å; I49-I114 HydrophobicContact CG1-CG1 4.2Å; I49-I114 HydrophobicContact CG2-CB 4.49Å; I49-I114 HydrophobicContact CG2-CD1 4.4Å; I49-I114 HydrophobicContact CG2-CG1 3.44Å; I49-I114 VanDerWaalsContact CG2-CG1 3.44Å; V50-I114 PolarHBondContact O-N 3.11Å; D52-I114 WeakPolarHBondContact CB-O 3.4Å; D52-I114 PolarHBondContact N-O 2.82Å; F61-I114 HydrophobicContact CD1-CG2 3.98Å; F61-I114 HydrophobicContact CE1-CG2 3.52Å; F61-I114 HydrophobicContact CZ-CG2 3.93Å; A65-I114 HydrophobicContact CB-CB 4.42Å; A65-I114 HydrophobicContact CB-CD1 3.69Å; A65-I114 HydrophobicContact CB-CG1 3.8Å; A65-I114 HydrophobicContact CB-CG2 3.75Å; F112-I114 HydrophobicContact CB-CD1 3.87Å; F112-I114 HydrophobicContact CB-CG1 4.46Å; F112-I114 HydrophobicContact CD1-CD1 4.38Å; I114-L118 WeakPolarHBondContact O-CD1 3.49Å; I114-I137 HydrophobicContact CD1-CB 4.37Å; I114-I137 HydrophobicContact CD1-CG1 3.53Å; I114-V304 HydrophobicContact CD1-CG2 4.01Å
115	G	97.7	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	124.6	145	179.1	0	0	0	0	0	112.6	L117 L118 I136 I137	G115-L117 PolarHBondContact O-N 3.49Å; G115-L118 PolarHBondContact O-N 3.35Å; G115-I136 WeakPolarHBondContact O-CD1 3.25Å; G115-I137 CarbonylContact C-O 3.56Å; G115-I137 VanDerWaalsContact C-O 3.28Å; G115-I137 PolarHBondContact N-O 3.05Å
116	Y	96.9	Very high	98.1	Very high	40 Å²	40	24.4 Å²	24.4	16%	0.157	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23.8	-175.1	66.5	-86.7	0	0	0	113.5	L118 A119 D138 V184 F217	Y116-L118 PolarHBondContact O-N 3.38Å; Y116-A119 VanDerWaalsContact O-CB 3.3Å; Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 2.88Å; Y116-D138 WeakPolarHBondContact CB-O 3.27Å; Y116-V184 HydrophobicContact CD1-CB 3.9Å; Y116-V184 HydrophobicContact CD1-CG2 3.56Å; Y116-V184 HydrophobicContact CE1-CB 4.11Å; Y116-V184 HydrophobicContact CE1-CG2 4.25Å; Y116-V184 HydrophobicContact CG-CG2 3.88Å; Y116-F217 HydrophobicContact CE1-CE2 4.15Å; Y116-F217 HydrophobicContact CE1-CZ 4.08Å; Y116-F217 WeakPolarHBondContact OH-CE2 3.44Å
117	L	96.1	Very high	98.2	Very high	53 Å²	53	26.3 Å²	26.3	28%	0.277	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-67.2	-17.1	175.7	-62.4	177.7	0	0	0	112.9	Y96 G115 F217	Y96-L117 HydrophobicContact CE2-CB 3.78Å; G115-L117 PolarHBondContact O-N 3.49Å; L117-F217 HydrophobicContact CD1-CD2 4.41Å; L117-F217 HydrophobicContact CD1-CE2 4.34Å
118	L	98.2	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-89.4	0.4	176.2	-69.1	89.5	0	0	0	113.2	V50 D52 Y96 I114 G115 Y116 D120 P121 I122 I136	V50-L118 HydrophobicContact CB-CD2 4.07Å; V50-L118 HydrophobicContact CG1-CD2 3.74Å; D52-L118 HydrophobicContact CB-CD1 4.25Å; Y96-L118 HydrophobicContact CD1-CD1 4.31Å; Y96-L118 HydrophobicContact CD1-CD2 4.09Å; Y96-L118 HydrophobicContact CD1-CG 3.98Å; Y96-L118 HydrophobicContact CD2-CD1 4.41Å; Y96-L118 HydrophobicContact CD2-CG 3.99Å; Y96-L118 HydrophobicContact CE1-CD1 4.06Å; Y96-L118 HydrophobicContact CE1-CG 4.25Å; Y96-L118 HydrophobicContact CE2-CD1 4.15Å; Y96-L118 HydrophobicContact CE2-CG 4.24Å; Y96-L118 HydrophobicContact CG-CD2 4.28Å; Y96-L118 HydrophobicContact CG-CG 3.88Å; I114-L118 WeakPolarHBondContact O-CD1 3.49Å; G115-L118 PolarHBondContact O-N 3.35Å; Y116-L118 PolarHBondContact O-N 3.38Å; L118-D120 PolarHBondContact O-N 2.85Å; L118-P121 WeakPolarHBondContact O-CD 3.27Å; L118-I122 HydrophobicContact CB-CG1 4.35Å; L118-I122 VanDerWaalsContact O-CB 3.29Å; L118-I122 WeakPolarHBondContact O-CB 3.31Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.29Å; L118-I122 PolarHBondContact O-N 2.86Å; L118-I136 HydrophobicContact CB-CD1 4.2Å
119	A	98.5	Very high	98.4	Very high	11 Å²	11	33.7 Å²	33.7	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-49.6	-175.9	0	0	0	0	0	112.8	Y116 I122 S123 I136 I141	Y116-A119 VanDerWaalsContact O-CB 3.3Å; Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 2.88Å; A119-I122 PolarHBondContact O-N 3.48Å; A119-S123 VanDerWaalsContact O-CB 3.29Å; A119-S123 WeakPolarHBondContact O-CB 3.14Å; A119-S123 PolarHBondContact O-N 2.67Å; A119-I136 HydrophobicContact CB-CD1 4.25Å; A119-I136 HydrophobicContact CB-CG1 4.21Å; A119-I141 VanDerWaalsContact O-CD1 3.28Å; A119-I141 WeakPolarHBondContact O-CD1 3.46Å
120	D	98.4	Very high	98.4	Very high	132 Å²	132	34 Å²	34	71%	0.706	19%	0.19	S	C	*	.	H	α-helix	trans	-65.3	-49	179.3	-73.8	-10	0	0	0	112.1	L118 I122 S123 A124	L118-D120 PolarHBondContact O-N 2.85Å; D120-I122 VanDerWaalsContact C-N 3.33Å; D120-I122 PolarHBondContact O-N 3.47Å; D120-S123 WeakPolarHBondContact O-CB 3.5Å; D120-S123 PolarHBondContact O-N 3.17Å; D120-A124 PolarHBondContact O-N 3.02Å
121	P	98.8	Very high	98.2	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-40.7	173	-29.8	36	0	0	0	114.4	Y96 E97 I100 L118 A125	Y96-P121 HydrophobicContact CD2-CG 4.4Å; E97-P121 HydrophobicContact CG-CB 3.93Å; E97-P121 HydrophobicContact CG-CG 4.11Å; I100-P121 HydrophobicContact CD1-CB 3.46Å; I100-P121 VanDerWaalsContact CD1-CB 3.46Å; L118-P121 WeakPolarHBondContact O-CD 3.27Å; P121-A125 WeakPolarHBondContact O-CB 3.32Å; P121-A125 PolarHBondContact O-N 3.47Å
122	I	98.8	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-44.5	176.3	-73.7	-71	0	0	0	110.6	I100 L118 A119 D120 A124 A125 A126 F134 I136 I141	I100-I122 HydrophobicContact CD1-CD1 3.75Å; I100-I122 HydrophobicContact CD1-CG1 3.89Å; I100-I122 HydrophobicContact CG1-CD1 4.1Å; I100-I122 HydrophobicContact CG2-CD1 4.39Å; L118-I122 HydrophobicContact CB-CG1 4.35Å; L118-I122 VanDerWaalsContact O-CB 3.29Å; L118-I122 WeakPolarHBondContact O-CB 3.31Å; L118-I122 VanDerWaalsContact O-CG1 3.23Å; L118-I122 WeakPolarHBondContact O-CG1 3.29Å; L118-I122 PolarHBondContact O-N 2.86Å; A119-I122 PolarHBondContact O-N 3.48Å; D120-I122 VanDerWaalsContact C-N 3.33Å; D120-I122 PolarHBondContact O-N 3.47Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 2.74Å; I122-A125 PolarHBondContact O-N 3.46Å; I122-A126 WeakPolarHBondContact O-CB 3.21Å; I122-A126 PolarHBondContact O-N 2.83Å; I122-F134 HydrophobicContact CD1-CD1 4.01Å; I122-F134 HydrophobicContact CG2-CB 3.92Å; I122-I136 HydrophobicContact CG1-CD1 4.42Å; I122-I136 HydrophobicContact CG2-CB 4.4Å; I122-I141 HydrophobicContact CB-CD1 4.06Å; I122-I141 HydrophobicContact CG2-CD1 3.65Å
123	S	98.8	Very high	98.2	Very high	30 Å²	30	43.8 Å²	43.8	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-47.1	177.4	-175.2	0	0	0	0	111.3	A119 D120 A126 D127 K144	A119-S123 VanDerWaalsContact O-CB 3.29Å; A119-S123 WeakPolarHBondContact O-CB 3.14Å; A119-S123 PolarHBondContact O-N 2.67Å; D120-S123 WeakPolarHBondContact O-CB 3.5Å; D120-S123 PolarHBondContact O-N 3.17Å; S123-A126 PolarHBondContact O-N 2.91Å; S123-D127 PolarHBondContact O-N 3.01Å; S123-K144 WeakPolarHBondContact O-CE 3.44Å; S123-K144 WeakPolarHBondContact OG-CE 3.26Å
124	A	98.7	Very high	98.2	Very high	35 Å²	35	43.8 Å²	43.8	29%	0.289	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-40.3	177.7	0	0	0	0	0	112.8	D120 I122 D127 Q128	D120-A124 PolarHBondContact O-N 3.02Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 2.74Å; A124-D127 PolarHBondContact O-N 3.38Å; A124-Q128 WeakPolarHBondContact O-CG 3.22Å; A124-Q128 PolarHBondContact O-N 2.92Å; A124-Q128 PolarHBondContact O-NE2 2.95Å
125	A	98.8	Very high	98.2	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-36.5	176.9	0	0	0	0	0	112.3	I100 P121 I122 Q128 N129 F134	I100-A125 HydrophobicContact CG2-CB 3.39Å; P121-A125 WeakPolarHBondContact O-CB 3.32Å; P121-A125 PolarHBondContact O-N 3.47Å; I122-A125 PolarHBondContact O-N 3.46Å; A125-Q128 PolarHBondContact O-N 3Å; A125-N129 WeakPolarHBondContact O-CB 3.47Å; A125-N129 PolarHBondContact O-N 2.88Å; A125-N129 PolarHBondContact O-ND2 3.28Å; A125-F134 HydrophobicContact CB-CD1 4.42Å; A125-F134 HydrophobicContact CB-CE1 3.68Å; A125-F134 HydrophobicContact CB-CZ 3.85Å
126	A	98.8	Very high	98.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-41.1	176.2	0	0	0	0	0	112.2	I122 S123 Q128 N129 F134 K144 N146 V147	I122-A126 WeakPolarHBondContact O-CB 3.21Å; I122-A126 PolarHBondContact O-N 2.83Å; S123-A126 PolarHBondContact O-N 2.91Å; A126-Q128 VanDerWaalsContact C-N 3.3Å; A126-Q128 PolarHBondContact O-N 3.18Å; A126-N129 CarbonylContact O-C 3.52Å; A126-N129 PolarHBondContact O-N 3.35Å; A126-F134 VanDerWaalsContact CA-CE2 3.5Å; A126-F134 HydrophobicContact CB-CD2 3.74Å; A126-F134 HydrophobicContact CB-CE2 4.19Å; A126-F134 HydrophobicContact CB-CG 4.25Å; A126-K144 HydrophobicContact CB-CD 3.89Å; A126-N146 PolarHBondContact O-ND2 3.15Å; A126-N146 VanDerWaalsContact O-ND2 3.12Å; A126-V147 HydrophobicContact CB-CG2 3.44Å; A126-V147 VanDerWaalsContact CB-CG2 3.44Å
127	D	98.6	Very high	98.3	Very high	107 Å²	107	41.9 Å²	41.9	57%	0.572	24%	0.235	S	C	*	.	H	α-helix	trans	-63.7	-35.7	175.2	-75.3	-29.1	0	0	0	112.8	S123 A124 K144	S123-D127 PolarHBondContact O-N 3.01Å; A124-D127 PolarHBondContact O-N 3.38Å; D127-K144 IonicContact OD1-NZ 3.45Å; D127-K144 PolarHBondContact OD1-NZ 3.18Å; D127-K144 IonicContact OD2-NZ 3.53Å; D127-K144 PolarHBondContact OD2-NZ 3.35Å
128	Q	98.4	Very high	98.4	Very high	145 Å²	145	39.8 Å²	39.8	68%	0.678	22%	0.224	S	C	*	.	H	α-helix	trans	-80.4	-20.1	-179.1	-67	169.7	33.1	0	0	112.9	A124 A125 A126	A124-Q128 WeakPolarHBondContact O-CG 3.22Å; A124-Q128 PolarHBondContact O-N 2.92Å; A124-Q128 PolarHBondContact O-NE2 2.95Å; A125-Q128 PolarHBondContact O-N 3Å; A126-Q128 VanDerWaalsContact C-N 3.3Å; A126-Q128 PolarHBondContact O-N 3.18Å
129	N	98.3	Very high	98.4	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.241	24%	0.235	C	C	.	.			trans	-136.7	68.8	-170.2	-56.2	-82.2	0	0	0	111.4	V104 A125 A126 D131 T132 F134 N146	V104-N129 HydrophobicContact CG1-CB 4.41Å; V104-N129 WeakPolarHBondContact CG1-OD1 3.4Å; A125-N129 WeakPolarHBondContact O-CB 3.47Å; A125-N129 PolarHBondContact O-N 2.88Å; A125-N129 PolarHBondContact O-ND2 3.28Å; A126-N129 CarbonylContact O-C 3.52Å; A126-N129 PolarHBondContact O-N 3.35Å; N129-D131 PolarHBondContact O-N 3.32Å; N129-D131 VanDerWaalsContact O-N 3.11Å; N129-T132 PolarHBondContact O-N 2.96Å; N129-F134 HydrophobicContact CB-CE2 3.98Å; N129-F134 HydrophobicContact CB-CZ 4Å; N129-N146 PolarHBondContact O-ND2 2.83Å; N129-N146 VanDerWaalsContact O-ND2 3.16Å
130	P	97.4	Very high	98.4	Very high	90 Å²	90	43.6 Å²	43.6	58%	0.584	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.6	-176.3	24.9	-35.3	0	0	0	114.1
131	D	95.5	Very high	98.4	Very high	152 Å²	152	38.1 Å²	38.1	81%	0.813	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.7	178.5	-62	-37.6	0	0	0	113.7	N129	N129-D131 PolarHBondContact O-N 3.32Å; N129-D131 VanDerWaalsContact O-N 3.11Å
132	T	98.4	Very high	98.3	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.074	25%	0.247	C	C	.	.	S	Bend	trans	-108.5	134.4	176.1	-61	0	0	0	0	109.2	V104 V111 N129 F134 N146	V104-T132 HydrophobicContact CG2-CG2 4.4Å; V111-T132 HydrophobicContact CG2-CG2 4.2Å; N129-T132 PolarHBondContact O-N 2.96Å; T132-F134 HydrophobicContact CG2-CD2 4.27Å; T132-F134 HydrophobicContact CG2-CE1 4.19Å; T132-F134 HydrophobicContact CG2-CE2 3.7Å; T132-F134 HydrophobicContact CG2-CZ 3.67Å; T132-F134 VanDerWaalsContact O-CD2 3.24Å; T132-F134 WeakPolarHBondContact O-CD2 3.38Å; T132-F134 WeakPolarHBondContact O-CE2 3.49Å; T132-N146 WeakPolarHBondContact O-CB 3.32Å; T132-N146 PolarHBondContact O-ND2 2.98Å; T132-N146 VanDerWaalsContact O-ND2 3.15Å
133	N	98.8	Very high	98.2	Very high	43 Å²	43	52.3 Å²	52.3	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.1	172.7	-65	-27.7	0	0	0	109.5	K109 T110 V111 F316	K109-N133 WeakPolarHBondContact O-CB 3.38Å; K109-N133 PolarHBondContact O-N 3.46Å; T110-N133 CarbonylContact C-O 3.24Å; T110-N133 VanDerWaalsContact CA-O 3.27Å; T110-N133 WeakPolarHBondContact CA-O 3.3Å; T110-N133 HydrophobicContact CG2-CB 4.11Å; V111-N133 PolarHBondContact N-O 3.21Å; N133-F316 HydrophobicContact CB-CD1 3.75Å; N133-F316 HydrophobicContact CB-CD2 3.9Å; N133-F316 HydrophobicContact CB-CE1 3.68Å; N133-F316 HydrophobicContact CB-CE2 3.84Å; N133-F316 HydrophobicContact CB-CG 3.87Å; N133-F316 HydrophobicContact CB-CZ 3.74Å; N133-F316 VanDerWaalsContact CG-CG 3.43Å; N133-F316 WeakPolarHBondContact ND2-CG 3.49Å; N133-F316 VanDerWaalsContact OD1-CD1 3.28Å; N133-F316 WeakPolarHBondContact OD1-CD1 3.45Å
134	F	98.9	Very high	98.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.7	175.9	-67.6	-86.6	0	0	0	110.8	I100 V104 V111 I122 A125 A126 N129 T132 N146 V147 A148 F316	I100-F134 HydrophobicContact CG2-CE1 3.94Å; V104-F134 HydrophobicContact CG2-CE1 3.95Å; V104-F134 HydrophobicContact CG2-CZ 3.8Å; V111-F134 HydrophobicContact CB-CD1 3.91Å; V111-F134 HydrophobicContact CB-CE1 4.04Å; V111-F134 HydrophobicContact CG1-CD1 4.41Å; V111-F134 HydrophobicContact CG1-CE1 4.46Å; V111-F134 HydrophobicContact CG2-CE1 4.44Å; V111-F134 CarbonylContact O-C 3.51Å; V111-F134 VanDerWaalsContact O-CA 3.31Å; V111-F134 WeakPolarHBondContact O-CA 3.23Å; I122-F134 HydrophobicContact CD1-CD1 4.01Å; I122-F134 HydrophobicContact CG2-CB 3.92Å; A125-F134 HydrophobicContact CB-CD1 4.42Å; A125-F134 HydrophobicContact CB-CE1 3.68Å; A125-F134 HydrophobicContact CB-CZ 3.85Å; A126-F134 VanDerWaalsContact CA-CE2 3.5Å; A126-F134 HydrophobicContact CB-CD2 3.74Å; A126-F134 HydrophobicContact CB-CE2 4.19Å; A126-F134 HydrophobicContact CB-CG 4.25Å; N129-F134 HydrophobicContact CB-CE2 3.98Å; N129-F134 HydrophobicContact CB-CZ 4Å; T132-F134 HydrophobicContact CG2-CD2 4.27Å; T132-F134 HydrophobicContact CG2-CE1 4.19Å; T132-F134 HydrophobicContact CG2-CE2 3.7Å; T132-F134 HydrophobicContact CG2-CZ 3.67Å; T132-F134 VanDerWaalsContact O-CD2 3.24Å; T132-F134 WeakPolarHBondContact O-CD2 3.38Å; T132-F134 WeakPolarHBondContact O-CE2 3.49Å; F134-N146 PolarHBondContact N-O 2.94Å; F134-V147 HydrophobicContact CB-CG2 4.17Å; F134-V147 CarbonylContact O-C 3.6Å; F134-V147 VanDerWaalsContact O-CA 3.23Å; F134-V147 WeakPolarHBondContact O-CA 3.34Å; F134-A148 PolarHBondContact O-N 2.82Å; F134-F316 VanDerWaalsContact O-CZ 3.31Å; F134-F316 WeakPolarHBondContact O-CZ 3.47Å
135	V	98.9	Very high	98.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	176	-172.5	0	0	0	0	108.7	T110 V111 F112 G113 I137 A148 I307 F316	T110-V135 HydrophobicContact CG2-CG2 3.98Å; V111-V135 PolarHBondContact O-N 3.3Å; F112-V135 CarbonylContact C-O 3.17Å; F112-V135 WeakPolarHBondContact CA-O 3.44Å; F112-V135 HydrophobicContact CB-CB 4.44Å; F112-V135 HydrophobicContact CD1-CB 3.43Å; F112-V135 VanDerWaalsContact CD1-CB 3.43Å; F112-V135 HydrophobicContact CD1-CG1 3.53Å; F112-V135 HydrophobicContact CD1-CG2 3.93Å; F112-V135 HydrophobicContact CD2-CB 4.41Å; F112-V135 HydrophobicContact CD2-CG2 4.3Å; F112-V135 HydrophobicContact CE1-CB 3.65Å; F112-V135 HydrophobicContact CE1-CG1 3.53Å; F112-V135 HydrophobicContact CE1-CG2 3.7Å; F112-V135 HydrophobicContact CE2-CG2 4.09Å; F112-V135 HydrophobicContact CG-CB 3.84Å; F112-V135 HydrophobicContact CG-CG1 4.42Å; F112-V135 HydrophobicContact CG-CG2 4.22Å; F112-V135 HydrophobicContact CZ-CB 4.24Å; F112-V135 HydrophobicContact CZ-CG1 4.43Å; F112-V135 HydrophobicContact CZ-CG2 3.79Å; G113-V135 PolarHBondContact N-O 3.19Å; V135-I137 HydrophobicContact CG1-CD1 4.14Å; V135-A148 CarbonylContact C-O 3.54Å; V135-A148 VanDerWaalsContact CA-O 3.26Å; V135-A148 WeakPolarHBondContact CA-O 3.2Å; V135-A148 HydrophobicContact CG2-CB 4.38Å; V135-I307 HydrophobicContact CG1-CD1 3.92Å; V135-I307 HydrophobicContact CG1-CG2 4.46Å; V135-I307 HydrophobicContact CG2-CG2 3.68Å; V135-F316 HydrophobicContact CG2-CE2 3.59Å; V135-F316 HydrophobicContact CG2-CZ 3.85Å
136	I	98.9	Very high	98.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.4	169.6	-175.4	59.6	0	0	0	109.4	G115 L118 A119 I122 I141 V147 A148 S149 A150	G115-I136 WeakPolarHBondContact O-CD1 3.25Å; L118-I136 HydrophobicContact CB-CD1 4.2Å; A119-I136 HydrophobicContact CB-CD1 4.25Å; A119-I136 HydrophobicContact CB-CG1 4.21Å; I122-I136 HydrophobicContact CG1-CD1 4.42Å; I122-I136 HydrophobicContact CG2-CB 4.4Å; I136-I141 HydrophobicContact CB-CD1 3.97Å; I136-I141 HydrophobicContact CG1-CD1 4.31Å; I136-I141 HydrophobicContact CG2-CB 4.39Å; I136-I141 HydrophobicContact CG2-CD1 3.78Å; I136-I141 HydrophobicContact CG2-CG1 3.99Å; I136-V147 HydrophobicContact CG2-CG1 4.29Å; I136-A148 PolarHBondContact N-O 3.44Å; I136-S149 WeakPolarHBondContact CG2-OG 3.48Å; I136-A150 PolarHBondContact O-N 3Å
137	I	98.8	Very high	98.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.6	170.6	-57.9	-54.3	0	0	0	108.9	F61 F112 G113 I114 G115 V135 S139 A150 F152 V300	F61-I137 HydrophobicContact CE2-CG2 4.21Å; F61-I137 HydrophobicContact CZ-CG2 3.96Å; F112-I137 HydrophobicContact CD1-CD1 4.36Å; G113-I137 PolarHBondContact O-N 3.28Å; I114-I137 HydrophobicContact CD1-CB 4.37Å; I114-I137 HydrophobicContact CD1-CG1 3.53Å; G115-I137 CarbonylContact C-O 3.56Å; G115-I137 VanDerWaalsContact C-O 3.28Å; G115-I137 PolarHBondContact N-O 3.05Å; V135-I137 HydrophobicContact CG1-CD1 4.14Å; I137-S139 PolarHBondContact O-N 3.26Å; I137-A150 CarbonylContact C-O 3.53Å; I137-A150 WeakPolarHBondContact CA-O 3.34Å; I137-A150 HydrophobicContact CD1-CB 3.82Å; I137-F152 HydrophobicContact CG2-CE2 4.04Å; I137-V300 HydrophobicContact CG2-CG1 4.1Å; I137-V300 HydrophobicContact CG2-CG2 4.47Å
138	D	98.2	Very high	98.1	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.043	28%	0.283	C	S	.	.	S	Bend	trans	68.7	10.2	176.1	-82.2	-15	0	0	0	116.2	F61 Y116 A150 F152 V184 K298	F61-D138 WeakPolarHBondContact CE2-OD2 3.32Å; F61-D138 WeakPolarHBondContact CZ-OD2 3.39Å; Y116-D138 WeakPolarHBondContact CB-O 3.27Å; D138-A150 PolarHBondContact N-O 2.94Å; D138-F152 WeakPolarHBondContact OD1-CD2 3.36Å; D138-V184 HydrophobicContact CB-CG2 3.84Å; D138-V184 WeakPolarHBondContact O-CG2 3.01Å; D138-K298 IonicContact OD1-NZ 2.86Å; D138-K298 IonicContact OD2-NZ 3.29Å; D138-K298 PolarHBondContact OD2-NZ 3.37Å
139	S	98.2	Very high	98.1	Very high	33 Å²	33	46.3 Å²	46.3	23%	0.231	25%	0.251	C	S	.	.	S	Bend	trans	-141.9	169.6	170.4	-166.4	0	0	0	0	111.7	I137 S149	I137-S139 PolarHBondContact O-N 3.26Å; S139-S149 WeakPolarHBondContact O-CB 3.45Å
140	V	98.5	Very high	98.2	Very high	58 Å²	58	44.2 Å²	44.2	35%	0.352	24%	0.24	S	C	.	.			trans	-118.6	122.1	175.1	-175.6	0	0	0	0	108.9	E142 T151 H321	V140-E142 HydrophobicContact CG1-CG 3.94Å; V140-T151 HydrophobicContact CG2-CG2 3.81Å; V140-H321 HydrophobicContact CG1-CB 4.5Å
141	I	98.6	Very high	98.2	Very high	18 Å²	18	40.8 Å²	40.8	9%	0.092	22%	0.217	C	C	.	.			trans	-108.6	113.9	168.4	-64.1	166.7	0	0	0	106.8	A119 I122 I136 K144 V147 S149	A119-I141 VanDerWaalsContact O-CD1 3.28Å; A119-I141 WeakPolarHBondContact O-CD1 3.46Å; I122-I141 HydrophobicContact CB-CD1 4.06Å; I122-I141 HydrophobicContact CG2-CD1 3.65Å; I136-I141 HydrophobicContact CB-CD1 3.97Å; I136-I141 HydrophobicContact CG1-CD1 4.31Å; I136-I141 HydrophobicContact CG2-CB 4.39Å; I136-I141 HydrophobicContact CG2-CD1 3.78Å; I136-I141 HydrophobicContact CG2-CG1 3.99Å; I141-K144 HydrophobicContact CG2-CB 4.48Å; I141-K144 HydrophobicContact CG2-CD 3.75Å; I141-K144 HydrophobicContact CG2-CG 4.13Å; I141-V147 HydrophobicContact CB-CG1 3.97Å; I141-V147 HydrophobicContact CD1-CG1 4.14Å; I141-V147 HydrophobicContact CG2-CG1 4.24Å; I141-V147 HydrophobicContact CG2-CG2 4.46Å; I141-S149 PolarHBondContact N-OG 2.99Å; I141-S149 PolarHBondContact O-OG 3.43Å
142	E	96.3	Very high	98.4	Very high	148 Å²	148	33.7 Å²	33.7	69%	0.692	18%	0.179	S	C	*	.			trans	-87.7	166.2	-179.8	-59.7	-174.9	153.1	0	0	111.3	V140 K144	V140-E142 HydrophobicContact CG1-CG 3.94Å; E142-K144 VanDerWaalsContact C-N 3.27Å; E142-K144 PolarHBondContact O-N 2.92Å; E142-K144 VanDerWaalsContact O-N 3.15Å
143	D	95.6	Very high	98.4	Very high	164 Å²	164	36.6 Å²	36.6	88%	0.877	19%	0.191	S	C	*	.	S	Bend	trans	56.1	30.4	171.2	-57.3	-35.1	0	0	0	116
144	K	98.1	Very high	98.4	Very high	31 Å²	31	34.6 Å²	34.6	14%	0.135	18%	0.18	C	C	.	.			trans	-132.4	109.4	174.6	-61.6	-167.7	-170	-58.5	0	112.6	S123 A126 D127 I141 E142 N146 V147 G319	S123-K144 WeakPolarHBondContact O-CE 3.44Å; S123-K144 WeakPolarHBondContact OG-CE 3.26Å; A126-K144 HydrophobicContact CB-CD 3.89Å; D127-K144 IonicContact OD1-NZ 3.45Å; D127-K144 PolarHBondContact OD1-NZ 3.18Å; D127-K144 IonicContact OD2-NZ 3.53Å; D127-K144 PolarHBondContact OD2-NZ 3.35Å; I141-K144 HydrophobicContact CG2-CB 4.48Å; I141-K144 HydrophobicContact CG2-CD 3.75Å; I141-K144 HydrophobicContact CG2-CG 4.13Å; E142-K144 VanDerWaalsContact C-N 3.27Å; E142-K144 PolarHBondContact O-N 2.92Å; E142-K144 VanDerWaalsContact O-N 3.15Å; K144-N146 PolarHBondContact O-N 3.42Å; K144-V147 HydrophobicContact CB-CB 3.93Å; K144-V147 HydrophobicContact CB-CG2 3.6Å; K144-V147 HydrophobicContact CD-CG2 3.83Å; K144-V147 HydrophobicContact CG-CG2 4.36Å; K144-V147 PolarHBondContact O-N 3.01Å; K144-G319 WeakPolarHBondContact O-CA 3.44Å; K144-G319 PolarHBondContact O-N 3.4Å
145	D	98.1	Very high	98.4	Very high	148 Å²	148	34.9 Å²	34.9	79%	0.791	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.9	-177.3	-70.5	-19.2	0	0	0	113.9	G318 G319	D145-G318 CarbonylContact O-C 3.58Å; D145-G318 VanDerWaalsContact O-C 3.24Å; D145-G318 WeakPolarHBondContact O-CA 3.41Å; D145-G319 PolarHBondContact O-N 3.46Å
146	N	98.6	Very high	98.4	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.112	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8	176.5	68.9	-31.8	0	0	0	113.2	A126 N129 T132 F134 K144	A126-N146 PolarHBondContact O-ND2 3.15Å; A126-N146 VanDerWaalsContact O-ND2 3.12Å; N129-N146 PolarHBondContact O-ND2 2.83Å; N129-N146 VanDerWaalsContact O-ND2 3.16Å; T132-N146 WeakPolarHBondContact O-CB 3.32Å; T132-N146 PolarHBondContact O-ND2 2.98Å; T132-N146 VanDerWaalsContact O-ND2 3.15Å; F134-N146 PolarHBondContact N-O 2.94Å; K144-N146 PolarHBondContact O-N 3.42Å
147	V	98.9	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.4	177.6	-174.7	0	0	0	0	111.2	A126 F134 I136 I141 K144 G319	A126-V147 HydrophobicContact CB-CG2 3.44Å; A126-V147 VanDerWaalsContact CB-CG2 3.44Å; F134-V147 HydrophobicContact CB-CG2 4.17Å; F134-V147 CarbonylContact O-C 3.6Å; F134-V147 VanDerWaalsContact O-CA 3.23Å; F134-V147 WeakPolarHBondContact O-CA 3.34Å; I136-V147 HydrophobicContact CG2-CG1 4.29Å; I141-V147 HydrophobicContact CB-CG1 3.97Å; I141-V147 HydrophobicContact CD1-CG1 4.14Å; I141-V147 HydrophobicContact CG2-CG1 4.24Å; I141-V147 HydrophobicContact CG2-CG2 4.46Å; K144-V147 HydrophobicContact CB-CB 3.93Å; K144-V147 HydrophobicContact CB-CG2 3.6Å; K144-V147 HydrophobicContact CD-CG2 3.83Å; K144-V147 HydrophobicContact CG-CG2 4.36Å; K144-V147 PolarHBondContact O-N 3.01Å; V147-G319 WeakPolarHBondContact O-CA 3.29Å; V147-G319 PolarHBondContact O-N 3.25Å
148	A	98.9	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.7	164.6	0	0	0	0	0	109.6	F134 V135 I136 F316 P317	F134-A148 PolarHBondContact O-N 2.82Å; V135-A148 CarbonylContact C-O 3.54Å; V135-A148 VanDerWaalsContact CA-O 3.26Å; V135-A148 WeakPolarHBondContact CA-O 3.2Å; V135-A148 HydrophobicContact CG2-CB 4.38Å; I136-A148 PolarHBondContact N-O 3.44Å; A148-F316 HydrophobicContact CB-CE1 4.2Å; A148-F316 HydrophobicContact CB-CE2 4.05Å; A148-F316 HydrophobicContact CB-CZ 3.55Å; A148-P317 HydrophobicContact CB-CG 3.89Å; A148-P317 WeakPolarHBondContact CB-O 3.47Å
149	S	98.9	Very high	98.4	Very high	2 Å²	2	36 Å²	36	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134	175.5	-62	0	0	0	0	109.8	I136 S139 I141 K320 H321 L322	I136-S149 WeakPolarHBondContact CG2-OG 3.48Å; S139-S149 WeakPolarHBondContact O-CB 3.45Å; I141-S149 PolarHBondContact N-OG 2.99Å; I141-S149 PolarHBondContact O-OG 3.43Å; S149-K320 PolarHBondContact N-O 3.22Å; S149-H321 CarbonylContact O-C 3.51Å; S149-H321 WeakPolarHBondContact O-CA 3.48Å; S149-L322 PolarHBondContact O-N 3.49Å
150	A	98.8	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.2	174.9	0	0	0	0	0	110.4	I136 I137 D138 I307 L322 F324	I136-A150 PolarHBondContact O-N 3Å; I137-A150 CarbonylContact C-O 3.53Å; I137-A150 WeakPolarHBondContact CA-O 3.34Å; I137-A150 HydrophobicContact CD1-CB 3.82Å; D138-A150 PolarHBondContact N-O 2.94Å; A150-I307 HydrophobicContact CB-CD1 4.12Å; A150-L322 CarbonylContact C-O 3.35Å; A150-L322 VanDerWaalsContact CA-O 3.28Å; A150-L322 WeakPolarHBondContact CA-O 3.32Å; A150-F324 HydrophobicContact CB-CE2 4.12Å
151	T	98.7	Very high	98.5	Very high	18 Å²	18	31.7 Å²	31.7	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.6	176.6	70.8	0	0	0	0	111.7	V140 H321 L322 S323 F324	V140-T151 HydrophobicContact CG2-CG2 3.81Å; T151-H321 WeakPolarHBondContact CG2-NE2 3.48Å; T151-H321 PolarHBondContact OG1-NE2 3.07Å; T151-L322 PolarHBondContact N-O 2.8Å; T151-S323 WeakPolarHBondContact O-CA 3.11Å; T151-F324 PolarHBondContact O-N 2.94Å
152	F	98.8	Very high	98.5	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149	-179.6	-60.1	-89.7	0	0	0	110.4	I137 D138 D154 K298 G299 V300 A303 F324 G330 V331	I137-F152 HydrophobicContact CG2-CE2 4.04Å; D138-F152 WeakPolarHBondContact OD1-CD2 3.36Å; F152-D154 PolarHBondContact O-N 3.31Å; F152-D154 VanDerWaalsContact O-N 3.07Å; F152-K298 HydrophobicContact CB-CD 4.34Å; F152-K298 HydrophobicContact CB-CG 3.99Å; F152-K298 HydrophobicContact CD1-CG 3.7Å; F152-K298 HydrophobicContact CD2-CD 3.66Å; F152-K298 HydrophobicContact CD2-CG 3.65Å; F152-K298 HydrophobicContact CE1-CG 4.08Å; F152-K298 HydrophobicContact CE2-CD 4.11Å; F152-K298 HydrophobicContact CE2-CG 4.03Å; F152-K298 HydrophobicContact CG-CD 3.94Å; F152-K298 HydrophobicContact CG-CG 3.47Å; F152-K298 VanDerWaalsContact CG-CG 3.47Å; F152-K298 HydrophobicContact CZ-CG 4.24Å; F152-G299 VanDerWaalsContact CE1-C 3.47Å; F152-V300 HydrophobicContact CE2-CG2 4.05Å; F152-V300 HydrophobicContact CZ-CG2 4.24Å; F152-A303 HydrophobicContact CZ-CB 3.91Å; F152-F324 CarbonylContact C-O 3.55Å; F152-F324 VanDerWaalsContact CA-O 3.32Å; F152-F324 WeakPolarHBondContact CA-O 3.33Å; F152-F324 HydrophobicContact CD1-CB 3.99Å; F152-F324 HydrophobicContact CD1-CD2 4.29Å; F152-F324 HydrophobicContact CE1-CB 4.15Å; F152-F324 AromaticContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CG 4.34Å; F152-F324 HydrophobicContact CZ-CD2 4.21Å; F152-G330 WeakPolarHBondContact CD1-O 3.44Å; F152-V331 HydrophobicContact CB-CG1 3.9Å; F152-V331 HydrophobicContact CD1-CG1 4.23Å
153	K	98.6	Very high	98.6	Very high	74 Å²	74	24 Å²	24	32%	0.322	12%	0.123	S	C	.	.			trans	-85.5	64.1	172.4	-60.6	-170.5	-179.2	178.9	0	110.3	Q155 E156 F324	K153-Q155 PolarHBondContact O-N 2.85Å; K153-Q155 VanDerWaalsContact O-N 3.1Å; K153-Q155 PolarHBondContact O-OE1 3.35Å; K153-E156 HydrophobicContact CB-CB 4.34Å; K153-E156 HydrophobicContact CB-CG 3.85Å; K153-E156 HydrophobicContact CD-CG 4.25Å; K153-E156 WeakPolarHBondContact CD-OE1 3.44Å; K153-E156 IonicContact NZ-OE1 3.58Å; K153-E156 PolarHBondContact NZ-OE1 3.05Å; K153-E156 VanDerWaalsContact NZ-OE1 3.15Å; K153-E156 WeakPolarHBondContact O-CB 3.32Å; K153-E156 PolarHBondContact O-N 3.36Å; K153-F324 PolarHBondContact N-O 3.01Å
154	D	98.7	Very high	98.8	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-48.5	-39.5	-176.7	-54.3	-58	0	0	0	112.6	F152 E156 A157 A158 R187 F188 K298	F152-D154 PolarHBondContact O-N 3.31Å; F152-D154 VanDerWaalsContact O-N 3.07Å; D154-E156 PolarHBondContact O-N 3.36Å; D154-A157 PolarHBondContact O-N 2.78Å; D154-A158 VanDerWaalsContact O-CB 3.32Å; D154-A158 WeakPolarHBondContact O-CB 3.02Å; D154-A158 PolarHBondContact O-N 3.13Å; D154-R187 HydrophobicContact CB-CB 3.87Å; D154-R187 IonicContact OD2-CZ 2.62Å; D154-R187 VanDerWaalsContact OD2-CZ 3.29Å; D154-R187 IonicContact OD2-NE 2.9Å; D154-R187 PolarHBondContact OD2-NE 3.48Å; D154-R187 IonicContact OD2-NH2 3.15Å; D154-R187 PolarHBondContact OD2-NH2 2.72Å; D154-F188 HydrophobicContact CB-CD1 4Å; D154-F188 HydrophobicContact CB-CD2 3.97Å; D154-F188 HydrophobicContact CB-CE1 3.86Å; D154-F188 HydrophobicContact CB-CE2 3.81Å; D154-F188 HydrophobicContact CB-CG 4.08Å; D154-F188 HydrophobicContact CB-CZ 3.77Å; D154-F188 WeakPolarHBondContact OD1-CZ 3.15Å; D154-K298 WeakPolarHBondContact OD1-CE 3.34Å; D154-K298 IonicContact OD1-NZ 3.72Å; D154-K298 PolarHBondContact OD1-NZ 2.99Å
155	Q	98.8	Very high	98.8	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-58.8	-35.1	178.8	77.1	-75.9	12	0	0	112.3	K153 A158 Y159 R187 G191 V360 P361 E362	K153-Q155 PolarHBondContact O-N 2.85Å; K153-Q155 VanDerWaalsContact O-N 3.1Å; K153-Q155 PolarHBondContact O-OE1 3.35Å; Q155-A158 PolarHBondContact O-N 2.8Å; Q155-Y159 WeakPolarHBondContact O-CB 3.42Å; Q155-Y159 PolarHBondContact O-N 2.77Å; Q155-R187 VanDerWaalsContact CA-O 3.22Å; Q155-R187 WeakPolarHBondContact CA-O 3.37Å; Q155-R187 HydrophobicContact CB-CB 4.08Å; Q155-R187 VanDerWaalsContact CB-O 3.23Å; Q155-R187 WeakPolarHBondContact CB-O 3.32Å; Q155-G191 WeakPolarHBondContact O-CA 3.38Å; Q155-V360 HydrophobicContact CB-CB 4.45Å; Q155-V360 HydrophobicContact CB-CG1 3.78Å; Q155-V360 HydrophobicContact CG-CB 3.83Å; Q155-V360 HydrophobicContact CG-CG1 3.72Å; Q155-V360 WeakPolarHBondContact O-CG1 3.29Å; Q155-P361 VanDerWaalsContact CB-O 3.3Å; Q155-P361 WeakPolarHBondContact CB-O 3.46Å; Q155-P361 WeakPolarHBondContact CG-O 3.12Å; Q155-E362 HydrophobicContact CG-CG 4.05Å; Q155-E362 PolarHBondContact NE2-OE1 3.43Å
156	E	98.9	Very high	98.9	Very high	20 Å²	20	7.6 Å²	7.6	9%	0.093	4%	0.037	C	C	.	.	H	α-helix	trans	-66.6	-44.6	-178.3	-65.8	-177.8	170.2	0	0	111	K153 D154 L160 G325 L326 V331 V353	K153-E156 HydrophobicContact CB-CB 4.34Å; K153-E156 HydrophobicContact CB-CG 3.85Å; K153-E156 HydrophobicContact CD-CG 4.25Å; K153-E156 WeakPolarHBondContact CD-OE1 3.44Å; K153-E156 IonicContact NZ-OE1 3.58Å; K153-E156 PolarHBondContact NZ-OE1 3.05Å; K153-E156 VanDerWaalsContact NZ-OE1 3.15Å; K153-E156 WeakPolarHBondContact O-CB 3.32Å; K153-E156 PolarHBondContact O-N 3.36Å; D154-E156 PolarHBondContact O-N 3.36Å; E156-L160 PolarHBondContact O-N 3.23Å; E156-G325 WeakPolarHBondContact OE2-CA 3.35Å; E156-L326 HydrophobicContact CB-CD1 3.74Å; E156-L326 HydrophobicContact CB-CG 3.76Å; E156-L326 PolarHBondContact OE2-N 2.83Å; E156-V331 HydrophobicContact CB-CG2 4.27Å; E156-V353 HydrophobicContact CB-CG1 3.95Å; E156-V353 HydrophobicContact CG-CG1 3.73Å
157	A	98.9	Very high	98.9	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.017	4%	0.041	C	C	.	.	H	α-helix	trans	-71.6	-38.8	174.2	0	0	0	0	0	112.2	D154 Y159 L160 A161 T296 V331	D154-A157 PolarHBondContact O-N 2.78Å; A157-Y159 VanDerWaalsContact C-N 3.28Å; A157-Y159 PolarHBondContact O-N 3.1Å; A157-L160 WeakPolarHBondContact O-CB 3.48Å; A157-L160 PolarHBondContact O-N 3.2Å; A157-A161 PolarHBondContact O-N 3.27Å; A157-T296 HydrophobicContact CB-CG2 4.06Å; A157-T296 WeakPolarHBondContact O-CG2 3.28Å; A157-V331 HydrophobicContact CB-CB 3.79Å; A157-V331 HydrophobicContact CB-CG2 3.76Å
158	A	98.9	Very high	98.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-35.5	176.4	0	0	0	0	0	112.3	D154 Q155 L160 A161 G162 F188 F192 Y239	D154-A158 VanDerWaalsContact O-CB 3.32Å; D154-A158 WeakPolarHBondContact O-CB 3.02Å; D154-A158 PolarHBondContact O-N 3.13Å; Q155-A158 PolarHBondContact O-N 2.8Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.47Å; A158-A161 WeakPolarHBondContact O-CB 3.5Å; A158-A161 PolarHBondContact O-N 2.78Å; A158-A161 VanDerWaalsContact O-N 3.14Å; A158-G162 PolarHBondContact O-N 3.08Å; A158-F188 HydrophobicContact CB-CD1 4.19Å; A158-F188 VanDerWaalsContact CB-O 3.22Å; A158-F188 WeakPolarHBondContact CB-O 3.32Å; A158-F192 HydrophobicContact CB-CB 4.38Å; A158-F192 VanDerWaalsContact O-CA 3.29Å; A158-F192 WeakPolarHBondContact O-CA 3.3Å; A158-Y239 HydrophobicContact CB-CE1 3.96Å
159	Y	98.9	Very high	98.9	Very high	10 Å²	10	10.4 Å²	10.4	4%	0.039	5%	0.052	C	C	.	.	H	α-helix	trans	-58.5	-43.3	171.3	-178	-84.3	0	0	0	111.7	Q155 A157 A161 G162 V163 G191 Q194 G195 D198 A349 V353 I358 V360	Q155-Y159 WeakPolarHBondContact O-CB 3.42Å; Q155-Y159 PolarHBondContact O-N 2.77Å; A157-Y159 VanDerWaalsContact C-N 3.28Å; A157-Y159 PolarHBondContact O-N 3.1Å; Y159-A161 VanDerWaalsContact C-N 3.34Å; Y159-A161 PolarHBondContact O-N 2.77Å; Y159-G162 PolarHBondContact O-N 3.33Å; Y159-G162 VanDerWaalsContact O-N 3.16Å; Y159-V163 HydrophobicContact CD1-CG2 4.06Å; Y159-V163 HydrophobicContact CE1-CG2 3.7Å; Y159-V163 WeakPolarHBondContact O-CG2 3.41Å; Y159-V163 PolarHBondContact O-N 3.19Å; Y159-G191 WeakPolarHBondContact CA-O 3.47Å; Y159-Q194 HydrophobicContact CD2-CB 4.17Å; Y159-Q194 HydrophobicContact CD2-CG 4.12Å; Y159-Q194 HydrophobicContact CE2-CB 4.43Å; Y159-Q194 HydrophobicContact CE2-CG 3.97Å; Y159-G195 VanDerWaalsContact CD2-CA 3.43Å; Y159-G195 VanDerWaalsContact CD2-N 3.33Å; Y159-G195 VanDerWaalsContact CE2-CA 3.46Å; Y159-D198 WeakPolarHBondContact OH-CB 3.3Å; Y159-D198 PolarHBondContact OH-OD2 3.32Å; Y159-A349 HydrophobicContact CD1-CB 4.42Å; Y159-A349 HydrophobicContact CE1-CB 3.93Å; Y159-V353 HydrophobicContact CD1-CG2 3.88Å; Y159-V353 HydrophobicContact CE1-CG2 4.13Å; Y159-V353 HydrophobicContact CG-CG2 4.5Å; Y159-I358 HydrophobicContact CE1-CD1 4.3Å; Y159-I358 HydrophobicContact CE1-CG2 4.49Å; Y159-I358 HydrophobicContact CE2-CG2 4.1Å; Y159-V360 HydrophobicContact CD2-CG1 4.08Å; Y159-V360 HydrophobicContact CD2-CG2 3.91Å; Y159-V360 HydrophobicContact CG-CG1 4.32Å; Y159-V360 HydrophobicContact CG-CG2 3.83Å
160	L	99	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64	-38.7	174.6	-53.9	-175.2	0	0	0	112	E156 A157 A158 G162 V163 A164 L326 L333 V346 A349 K350	E156-L160 PolarHBondContact O-N 3.23Å; A157-L160 WeakPolarHBondContact O-CB 3.48Å; A157-L160 PolarHBondContact O-N 3.2Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.47Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-G162 PolarHBondContact O-N 3.08Å; L160-V163 PolarHBondContact O-N 3.44Å; L160-A164 WeakPolarHBondContact O-CB 3.34Å; L160-A164 PolarHBondContact O-N 3.3Å; L160-L326 HydrophobicContact CD1-CD1 3.91Å; L160-L326 HydrophobicContact CD1-CD2 3.69Å; L160-L326 HydrophobicContact CD1-CG 4.49Å; L160-L326 HydrophobicContact CD2-CD1 4.47Å; L160-L326 HydrophobicContact CG-CD1 4.21Å; L160-L333 HydrophobicContact CB-CB 4.05Å; L160-L333 HydrophobicContact CB-CD2 3.85Å; L160-L333 HydrophobicContact CB-CG 4.42Å; L160-L333 HydrophobicContact CD1-CB 4.12Å; L160-V346 HydrophobicContact CB-CG1 4.39Å; L160-A349 HydrophobicContact CD2-CB 3.65Å; L160-K350 HydrophobicContact CD1-CB 3.91Å; L160-K350 HydrophobicContact CD1-CD 4.3Å; L160-K350 HydrophobicContact CD1-CG 4.16Å; L160-K350 HydrophobicContact CD2-CB 3.99Å
161	A	99	Very high	98.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-38	172.8	0	0	0	0	0	112.2	A157 A158 Y159 A164 A165 F192 Y239 I269 T296 L333	A157-A161 PolarHBondContact O-N 3.27Å; A158-A161 WeakPolarHBondContact O-CB 3.5Å; A158-A161 PolarHBondContact O-N 2.78Å; A158-A161 VanDerWaalsContact O-N 3.14Å; Y159-A161 VanDerWaalsContact C-N 3.34Å; Y159-A161 PolarHBondContact O-N 2.77Å; A161-A164 PolarHBondContact O-N 2.88Å; A161-A165 WeakPolarHBondContact O-CB 3.28Å; A161-A165 PolarHBondContact O-N 3.16Å; A161-F192 HydrophobicContact CB-CD2 4.07Å; A161-F192 HydrophobicContact CB-CE2 4.44Å; A161-Y239 HydrophobicContact CB-CD1 4.41Å; A161-Y239 HydrophobicContact CB-CE1 4.29Å; A161-I269 HydrophobicContact CB-CD1 4.34Å; A161-I269 HydrophobicContact CB-CG2 4.07Å; A161-T296 HydrophobicContact CB-CG2 3.71Å; A161-L333 HydrophobicContact CB-CD1 4.15Å
162	G	99	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-44	175.1	0	0	0	0	0	112.5	A158 Y159 L160 A165 A166 F192	A158-G162 PolarHBondContact O-N 3.08Å; Y159-G162 PolarHBondContact O-N 3.33Å; Y159-G162 VanDerWaalsContact O-N 3.16Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-G162 PolarHBondContact O-N 3.08Å; G162-A165 PolarHBondContact O-N 3.38Å; G162-A166 WeakPolarHBondContact O-CB 3.36Å; G162-A166 PolarHBondContact O-N 2.86Å; G162-F192 VanDerWaalsContact CA-CD2 3.44Å; G162-F192 WeakPolarHBondContact CA-O 3.25Å
163	V	99	Very high	98.8	Very high	4 Å²	4	25 Å²	25	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-51	172.8	175.2	0	0	0	0	110.4	Y159 L160 A165 A166 E167 T199 A345 V346 A349	Y159-V163 HydrophobicContact CD1-CG2 4.06Å; Y159-V163 HydrophobicContact CE1-CG2 3.7Å; Y159-V163 WeakPolarHBondContact O-CG2 3.41Å; Y159-V163 PolarHBondContact O-N 3.19Å; L160-V163 PolarHBondContact O-N 3.44Å; V163-A165 VanDerWaalsContact C-N 3.33Å; V163-A165 PolarHBondContact O-N 3.31Å; V163-A166 PolarHBondContact O-N 2.86Å; V163-E167 HydrophobicContact CG1-CG 4.45Å; V163-E167 WeakPolarHBondContact O-CG 3.44Å; V163-E167 PolarHBondContact O-N 2.83Å; V163-T199 WeakPolarHBondContact CA-OG1 3.23Å; V163-T199 HydrophobicContact CG1-CG2 4.49Å; V163-T199 WeakPolarHBondContact CG2-OG1 3.22Å; V163-A345 HydrophobicContact CG1-CB 3.91Å; V163-V346 HydrophobicContact CG1-CG2 4.2Å; V163-A349 HydrophobicContact CG1-CB 4.45Å; V163-A349 HydrophobicContact CG2-CB 3.9Å
164	A	99	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-44.6	178.7	0	0	0	0	0	112.6	L160 A161 T168 T294 L333 L338 V346	L160-A164 WeakPolarHBondContact O-CB 3.34Å; L160-A164 PolarHBondContact O-N 3.3Å; A161-A164 PolarHBondContact O-N 2.88Å; A164-T168 VanDerWaalsContact O-CB 3.27Å; A164-T168 WeakPolarHBondContact O-CB 3.44Å; A164-T168 PolarHBondContact O-N 3.26Å; A164-T168 PolarHBondContact O-OG1 3.46Å; A164-T294 HydrophobicContact CB-CG2 4.17Å; A164-L333 HydrophobicContact CB-CD2 4.1Å; A164-L338 HydrophobicContact CB-CD1 4.26Å; A164-L338 HydrophobicContact CB-CD2 3.69Å; A164-V346 HydrophobicContact CB-CG2 3.9Å
165	A	99	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-44.7	178.8	0	0	0	0	0	112	A161 G162 V163 T168 T169 L174 F192 I237 I269	A161-A165 WeakPolarHBondContact O-CB 3.28Å; A161-A165 PolarHBondContact O-N 3.16Å; G162-A165 PolarHBondContact O-N 3.38Å; V163-A165 VanDerWaalsContact C-N 3.33Å; V163-A165 PolarHBondContact O-N 3.31Å; A165-T168 PolarHBondContact O-N 3.34Å; A165-T169 WeakPolarHBondContact O-CB 2.76Å; A165-T169 PolarHBondContact O-N 3.25Å; A165-L174 HydrophobicContact CB-CD1 3.77Å; A165-L174 HydrophobicContact CB-CD2 3.92Å; A165-L174 HydrophobicContact CB-CG 4.49Å; A165-F192 HydrophobicContact CB-CE2 3.8Å; A165-F192 HydrophobicContact CB-CZ 3.96Å; A165-I237 HydrophobicContact CB-CG2 4.36Å; A165-I269 HydrophobicContact CB-CD1 3.91Å
166	A	98.9	Very high	98.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.8	-34.8	-179.6	0	0	0	0	0	113.6	G162 V163 T168 T199 I207	G162-A166 WeakPolarHBondContact O-CB 3.36Å; G162-A166 PolarHBondContact O-N 2.86Å; V163-A166 PolarHBondContact O-N 2.86Å; A166-T168 VanDerWaalsContact C-N 3.28Å; A166-T199 HydrophobicContact CB-CG2 3.62Å; A166-I207 HydrophobicContact CB-CD1 3.77Å
167	E	98.8	Very high	98.9	Very high	42 Å²	42	20.3 Å²	20.3	20%	0.196	10%	0.101	C	C	.	.	H	α-helix	trans	-70.1	-26	172.6	-69	-69.2	177.4	0	0	112.3	V163 T199 A342 A345	V163-E167 HydrophobicContact CG1-CG 4.45Å; V163-E167 WeakPolarHBondContact O-CG 3.44Å; V163-E167 PolarHBondContact O-N 2.83Å; E167-T199 HydrophobicContact CG-CG2 3.89Å; E167-A342 HydrophobicContact CB-CB 3.81Å; E167-A345 HydrophobicContact CG-CB 3.74Å; E167-A345 WeakPolarHBondContact OE1-CB 3.42Å
168	T	98.8	Very high	98.8	Very high	32 Å²	32	20.2 Å²	20.2	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-97.6	-34.6	-172.6	-55.8	0	0	0	0	113.8	A164 A165 A166 K170 I237 L293	A164-T168 VanDerWaalsContact O-CB 3.27Å; A164-T168 WeakPolarHBondContact O-CB 3.44Å; A164-T168 PolarHBondContact O-N 3.26Å; A164-T168 PolarHBondContact O-OG1 3.46Å; A165-T168 PolarHBondContact O-N 3.34Å; A166-T168 VanDerWaalsContact C-N 3.28Å; T168-K170 PolarHBondContact O-N 3.2Å; T168-I237 HydrophobicContact CG2-CD1 3.81Å; T168-L293 HydrophobicContact CG2-CD1 3.85Å; T168-L293 HydrophobicContact CG2-CD2 3.92Å
169	T	98.8	Very high	98.8	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.031	10%	0.1	C	C	.	.			trans	-58	137.5	-172.5	-177.1	0	0	0	0	112.4	A165 S171 N172 L174 I207 D236	A165-T169 WeakPolarHBondContact O-CB 2.76Å; A165-T169 PolarHBondContact O-N 3.25Å; T169-S171 PolarHBondContact OG1-N 3.2Å; T169-N172 PolarHBondContact OG1-N 2.87Å; T169-L174 HydrophobicContact CG2-CD2 4.24Å; T169-I207 HydrophobicContact CG2-CD1 3.99Å; T169-I207 HydrophobicContact CG2-CG2 4.43Å; T169-D236 WeakPolarHBondContact CB-OD1 3.06Å; T169-D236 VanDerWaalsContact OG1-CG 3.24Å; T169-D236 PolarHBondContact OG1-OD1 2.98Å; T169-D236 PolarHBondContact OG1-OD2 2.83Å; T169-D236 VanDerWaalsContact OG1-OD2 3.08Å
170	K	98.2	Very high	98.7	Very high	142 Å²	142	22 Å²	22	62%	0.617	11%	0.109	S	C	*	.	S	Bend	trans	-100.1	-28.4	173.5	-61.5	174.2	-177.2	166.3	0	111.3	T168 D236 A263	T168-K170 PolarHBondContact O-N 3.2Å; K170-D236 PolarHBondContact N-OD2 3.2Å; K170-A263 PolarHBondContact NZ-O 2.92Å
171	S	98.5	Very high	98.5	Very high	47 Å²	47	29.5 Å²	29.5	33%	0.329	14%	0.144	S	C	.	.	S	Bend	trans	-89.6	-15.6	-178.6	74.2	0	0	0	0	113.5	T169 K173 G234 D236	T169-S171 PolarHBondContact OG1-N 3.2Å; S171-K173 PolarHBondContact O-N 2.94Å; S171-K173 PolarHBondContact OG-N 3.27Å; S171-K173 VanDerWaalsContact OG-N 3.08Å; S171-K173 PolarHBondContact OG-O 3.1Å; S171-G234 VanDerWaalsContact CB-O 3.24Å; S171-G234 WeakPolarHBondContact CB-O 3.34Å; S171-G234 PolarHBondContact OG-O 2.7Å; S171-D236 PolarHBondContact N-OD2 3.46Å; S171-D236 PolarHBondContact OG-OD1 2.88Å; S171-D236 PolarHBondContact OG-OD2 2.78Å
172	N	98.8	Very high	98.3	Very high	49 Å²	49	30.4 Å²	30.4	26%	0.262	15%	0.153	S	C	.	.	S	Bend	trans	57.3	22.1	-167.8	-59.1	-29.7	0	0	0	113.2	T169 D206 I207 S208	T169-N172 PolarHBondContact OG1-N 2.87Å; N172-D206 VanDerWaalsContact CB-O 3.27Å; N172-D206 WeakPolarHBondContact CB-O 3.47Å; N172-I207 HydrophobicContact CB-CG1 4.03Å; N172-I207 WeakPolarHBondContact O-CA 3.32Å; N172-S208 PolarHBondContact O-N 2.9Å
173	K	98.9	Very high	98.1	Very high	93 Å²	93	33.5 Å²	33.5	40%	0.404	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.1	173.8	-63.2	-177	178.6	-173.7	0	108.7	S171 A233 V235 D236	S171-K173 PolarHBondContact O-N 2.94Å; S171-K173 PolarHBondContact OG-N 3.27Å; S171-K173 VanDerWaalsContact OG-N 3.08Å; S171-K173 PolarHBondContact OG-O 3.1Å; K173-A233 PolarHBondContact NZ-O 3.07Å; K173-V235 HydrophobicContact CB-CG2 4.26Å; K173-V235 VanDerWaalsContact O-CA 3.25Å; K173-V235 WeakPolarHBondContact O-CA 3.16Å; K173-D236 PolarHBondContact O-N 3.18Å; K173-D236 VanDerWaalsContact O-N 3.1Å
174	L	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	157.9	-179.5	-60.7	177.9	0	0	0	109.7	A165 T169 F192 V196 I207 S208 V209 D210 I237	A165-L174 HydrophobicContact CB-CD1 3.77Å; A165-L174 HydrophobicContact CB-CD2 3.92Å; A165-L174 HydrophobicContact CB-CG 4.49Å; T169-L174 HydrophobicContact CG2-CD2 4.24Å; L174-F192 HydrophobicContact CB-CZ 4.43Å; L174-F192 HydrophobicContact CD1-CZ 4.36Å; L174-V196 HydrophobicContact CD1-CB 4.29Å; L174-V196 HydrophobicContact CD1-CG1 3.8Å; L174-V196 HydrophobicContact CD1-CG2 3.42Å; L174-V196 VanDerWaalsContact CD1-CG2 3.42Å; L174-I207 HydrophobicContact CD1-CG2 3.66Å; L174-I207 HydrophobicContact CG-CG2 3.89Å; L174-S208 PolarHBondContact N-O 3.3Å; L174-V209 HydrophobicContact CB-CG2 4.24Å; L174-V209 CarbonylContact O-C 3.6Å; L174-V209 WeakPolarHBondContact O-CA 3.32Å; L174-D210 PolarHBondContact O-N 3.28Å; L174-I237 HydrophobicContact CD2-CB 3.75Å; L174-I237 HydrophobicContact CD2-CD1 4.17Å; L174-I237 HydrophobicContact CD2-CG1 4.22Å
175	G	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.1	174.8	0	0	0	0	0	111.7	D210 I237 I238 Y239	G175-D210 CarbonylContact C-O 3.59Å; G175-D210 WeakPolarHBondContact CA-O 3.44Å; G175-I237 PolarHBondContact N-O 2.88Å; G175-I238 CarbonylContact O-C 3.28Å; G175-I238 WeakPolarHBondContact O-CA 3.32Å; G175-Y239 PolarHBondContact O-N 2.83Å
176	F	99	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.7	166.8	178.8	-96.4	0	0	0	110.1	I185 F188 E189 F192 V209 D210 V211 Q212 M230 Y239 A241	F176-I185 HydrophobicContact CE1-CG2 4.11Å; F176-I185 HydrophobicContact CZ-CG2 3.96Å; F176-F188 HydrophobicContact CE2-CB 4.03Å; F176-F188 HydrophobicContact CZ-CB 3.94Å; F176-E189 HydrophobicContact CD1-CB 4.19Å; F176-E189 HydrophobicContact CD1-CG 4.24Å; F176-E189 HydrophobicContact CE1-CB 3.72Å; F176-E189 HydrophobicContact CE1-CG 4.24Å; F176-E189 HydrophobicContact CZ-CB 3.92Å; F176-F192 HydrophobicContact CB-CD1 4.2Å; F176-F192 HydrophobicContact CB-CE1 4.37Å; F176-F192 HydrophobicContact CD2-CD1 4.22Å; F176-V209 HydrophobicContact CB-CG1 4.17Å; F176-D210 PolarHBondContact N-O 2.82Å; F176-V211 HydrophobicContact CB-CG2 4.27Å; F176-V211 HydrophobicContact CD1-CG1 3.81Å; F176-Q212 PolarHBondContact O-N 3.32Å; F176-M230 WeakPolarHBondContact O-CE 3.5Å; F176-Y239 CarbonylContact C-O 3.56Å; F176-Y239 VanDerWaalsContact CA-O 3.23Å; F176-Y239 WeakPolarHBondContact CA-O 3.31Å; F176-Y239 AromaticContact CD2-CD1 3.73Å; F176-Y239 HydrophobicContact CD2-CD1 3.73Å; F176-Y239 HydrophobicContact CD2-CE1 4.4Å; F176-Y239 HydrophobicContact CD2-CG 4.33Å; F176-Y239 AromaticContact CE2-CD1 3.86Å; F176-Y239 HydrophobicContact CE2-CD1 3.86Å; F176-Y239 HydrophobicContact CE2-CE1 4.07Å; F176-A241 HydrophobicContact CE2-CB 3.96Å; F176-A241 HydrophobicContact CZ-CB 3.8Å
177	V	98.9	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	102	176.5	178.8	0	0	0	0	110.5	Q212 L226 M230 I238 Y239 H240 A241 V249	V177-Q212 CarbonylContact C-O 3.51Å; V177-Q212 VanDerWaalsContact CA-O 3.3Å; V177-Q212 WeakPolarHBondContact CA-O 3.48Å; V177-L226 HydrophobicContact CG1-CD1 3.94Å; V177-L226 HydrophobicContact CG2-CB 4.43Å; V177-M230 HydrophobicContact CG2-CE 3.83Å; V177-M230 HydrophobicContact CG2-SD 3.8Å; V177-I238 HydrophobicContact CB-CG2 4.48Å; V177-I238 HydrophobicContact CG2-CG2 3.82Å; V177-Y239 PolarHBondContact N-O 3.12Å; V177-H240 HydrophobicContact CB-CB 4.05Å; V177-H240 CarbonylContact O-C 3.59Å; V177-H240 VanDerWaalsContact O-CA 3.25Å; V177-H240 WeakPolarHBondContact O-CA 3.35Å; V177-A241 PolarHBondContact O-N 2.99Å; V177-V249 HydrophobicContact CB-CG2 4.4Å; V177-V249 HydrophobicContact CG1-CG2 4.33Å; V177-V249 HydrophobicContact CG2-CG2 4.38Å
178	G	98.7	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	148.5	171.7	0	0	0	0	0	112.2	Q212 Y213 A214	G178-Q212 PolarHBondContact N-O 2.93Å; G178-Y213 CarbonylContact O-C 3.54Å; G178-Y213 WeakPolarHBondContact O-CA 3.36Å; G178-A214 PolarHBondContact O-N 2.97Å
179	G	97.9	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-72.6	-71.3	173	0	0	0	0	0	111	A214 A215 S216 A241	G179-A214 CarbonylContact O-C 3.53Å; G179-A214 PolarHBondContact O-N 3.18Å; G179-A215 CarbonylContact O-C 3.58Å; G179-A215 VanDerWaalsContact O-CA 3.24Å; G179-A215 WeakPolarHBondContact O-CA 3.38Å; G179-A215 PolarHBondContact O-N 3.07Å; G179-S216 PolarHBondContact O-N 2.7Å; G179-A241 PolarHBondContact N-O 3.29Å
180	E	96.8	Very high	98	Very high	48 Å²	48	35.4 Å²	35.4	22%	0.224	19%	0.186	C	C	.	.	S	Bend	trans	-129.4	154.8	175.9	-65.7	-175.6	-145.6	0	0	110.5	I185 Y213 F217	E180-I185 WeakPolarHBondContact O-CB 3.38Å; E180-I185 WeakPolarHBondContact O-CG1 3.48Å; E180-Y213 WeakPolarHBondContact O-CE1 3.39Å; E180-F217 HydrophobicContact CB-CD2 4.34Å; E180-F217 HydrophobicContact CB-CE2 3.65Å; E180-F217 HydrophobicContact CB-CZ 4Å; E180-F217 HydrophobicContact CG-CD2 3.94Å; E180-F217 HydrophobicContact CG-CE2 3.78Å; E180-F217 HydrophobicContact CG-CZ 4.42Å
181	E	95.3	Very high	98	Very high	158 Å²	158	28.6 Å²	28.6	74%	0.738	16%	0.156	S	C	*	.			trans	-68.8	135.7	173.9	-69.1	-179.1	-171.8	0	0	109.8	Y213	E181-Y213 HydrophobicContact CG-CD1 3.99Å; E181-Y213 HydrophobicContact CG-CE1 4.25Å; E181-Y213 HydrophobicContact CG-CG 4.19Å
182	G	94.1	Very high	98	Very high	19 Å²	19	26.4 Å²	26.4	20%	0.196	14%	0.141	C	C	.	.	S	Bend	trans	166.1	158.8	-179.7	0	0	0	0	0	111.6	V184 I185 D186	G182-V184 PolarHBondContact O-N 2.81Å; G182-I185 PolarHBondContact O-N 3.03Å; G182-D186 PolarHBondContact O-N 3.48Å
183	A	95.4	Very high	98	Very high	64 Å²	64	26.4 Å²	26.4	53%	0.529	14%	0.142	S	C	.	.	H	α-helix	trans	-54.8	-28.4	-172.1	0	0	0	0	0	114.2	R187	A183-R187 WeakPolarHBondContact O-CG 3.16Å; A183-R187 PolarHBondContact O-N 3.27Å; A183-R187 PolarHBondContact O-NH1 2.99Å
184	V	97.6	Very high	98	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	13%	0.13	C	C	.	.	H	α-helix	trans	-70.3	-46.4	175.8	178.3	0	0	0	0	111.1	Y116 D138 G182 R187 F188	Y116-V184 HydrophobicContact CD1-CB 3.9Å; Y116-V184 HydrophobicContact CD1-CG2 3.56Å; Y116-V184 HydrophobicContact CE1-CB 4.11Å; Y116-V184 HydrophobicContact CE1-CG2 4.25Å; Y116-V184 HydrophobicContact CG-CG2 3.88Å; D138-V184 HydrophobicContact CB-CG2 3.84Å; D138-V184 WeakPolarHBondContact O-CG2 3.01Å; G182-V184 PolarHBondContact O-N 2.81Å; V184-R187 VanDerWaalsContact CG2-NH2 3.34Å; V184-R187 WeakPolarHBondContact O-CB 3.43Å; V184-R187 PolarHBondContact O-N 3.12Å; V184-F188 HydrophobicContact CG1-CD2 4.35Å; V184-F188 HydrophobicContact CG1-CE2 3.98Å; V184-F188 VanDerWaalsContact O-CD2 3.24Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; V184-F188 PolarHBondContact O-N 3.06Å
185	I	98.4	Very high	98	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-31.3	-178.9	-49.5	-50.9	0	0	0	111.1	F176 E180 G182 R187 F188 E189 Y213 F217 A241	F176-I185 HydrophobicContact CE1-CG2 4.11Å; F176-I185 HydrophobicContact CZ-CG2 3.96Å; E180-I185 WeakPolarHBondContact O-CB 3.38Å; E180-I185 WeakPolarHBondContact O-CG1 3.48Å; G182-I185 PolarHBondContact O-N 3.03Å; I185-R187 VanDerWaalsContact C-N 3.26Å; I185-R187 PolarHBondContact O-N 3.41Å; I185-F188 HydrophobicContact CD1-CD2 4.09Å; I185-F188 HydrophobicContact CD1-CE2 4.47Å; I185-F188 WeakPolarHBondContact O-CB 3.26Å; I185-F188 PolarHBondContact O-N 3.47Å; I185-F188 VanDerWaalsContact O-N 3.1Å; I185-E189 PolarHBondContact O-N 2.74Å; I185-Y213 HydrophobicContact CB-CE1 4Å; I185-Y213 HydrophobicContact CG2-CD1 4.34Å; I185-Y213 HydrophobicContact CG2-CE1 3.39Å; I185-F217 HydrophobicContact CD1-CE1 3.9Å; I185-F217 HydrophobicContact CD1-CZ 3.92Å; I185-F217 HydrophobicContact CG1-CE1 4.25Å; I185-F217 HydrophobicContact CG1-CZ 3.9Å; I185-A241 HydrophobicContact CD1-CB 4.23Å; I185-A241 WeakPolarHBondContact CD1-O 3.35Å; I185-A241 HydrophobicContact CG2-CB 4.26Å
186	D	98.3	Very high	98	Very high	47 Å²	47	23.6 Å²	23.6	25%	0.251	13%	0.131	S	C	.	.	H	α-helix	trans	-54.6	-41.2	168.8	-75.3	2.5	0	0	0	111.6	G182 E189 A190 E362 P364	G182-D186 PolarHBondContact O-N 3.48Å; D186-E189 PolarHBondContact O-N 3.21Å; D186-A190 WeakPolarHBondContact O-CB 3.46Å; D186-A190 PolarHBondContact O-N 3.23Å; D186-E362 CarbonylContact C-O 3.56Å; D186-P364 HydrophobicContact CB-CG 4.49Å
187	R	98.7	Very high	98	Very high	29 Å²	29	28.1 Å²	28.1	11%	0.109	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-42.7	176.1	-73.5	-172.6	-58.6	-95.6	8.5	112	D154 Q155 A183 V184 I185 G191 E362	D154-R187 HydrophobicContact CB-CB 3.87Å; D154-R187 IonicContact OD2-CZ 2.62Å; D154-R187 VanDerWaalsContact OD2-CZ 3.29Å; D154-R187 IonicContact OD2-NE 2.9Å; D154-R187 PolarHBondContact OD2-NE 3.48Å; D154-R187 IonicContact OD2-NH2 3.15Å; D154-R187 PolarHBondContact OD2-NH2 2.72Å; Q155-R187 VanDerWaalsContact CA-O 3.22Å; Q155-R187 WeakPolarHBondContact CA-O 3.37Å; Q155-R187 HydrophobicContact CB-CB 4.08Å; Q155-R187 VanDerWaalsContact CB-O 3.23Å; Q155-R187 WeakPolarHBondContact CB-O 3.32Å; A183-R187 WeakPolarHBondContact O-CG 3.16Å; A183-R187 PolarHBondContact O-N 3.27Å; A183-R187 PolarHBondContact O-NH1 2.99Å; V184-R187 VanDerWaalsContact CG2-NH2 3.34Å; V184-R187 WeakPolarHBondContact O-CB 3.43Å; V184-R187 PolarHBondContact O-N 3.12Å; I185-R187 VanDerWaalsContact C-N 3.26Å; I185-R187 PolarHBondContact O-N 3.41Å; R187-G191 PolarHBondContact O-N 2.91Å; R187-E362 WeakPolarHBondContact CA-O 3.36Å; R187-E362 HydrophobicContact CG-CB 3.87Å; R187-E362 HydrophobicContact CG-CG 4.12Å; R187-E362 WeakPolarHBondContact CG-O 3.48Å; R187-E362 PolarHBondContact N-O 3.05Å
188	F	98.9	Very high	98	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.022	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-47.7	175.8	-76.2	-71.7	0	0	0	111.8	D154 A158 F176 V184 I185 F192 Y239 A241 V271	D154-F188 HydrophobicContact CB-CD1 4Å; D154-F188 HydrophobicContact CB-CD2 3.97Å; D154-F188 HydrophobicContact CB-CE1 3.86Å; D154-F188 HydrophobicContact CB-CE2 3.81Å; D154-F188 HydrophobicContact CB-CG 4.08Å; D154-F188 HydrophobicContact CB-CZ 3.77Å; D154-F188 WeakPolarHBondContact OD1-CZ 3.15Å; A158-F188 HydrophobicContact CB-CD1 4.19Å; A158-F188 VanDerWaalsContact CB-O 3.22Å; A158-F188 WeakPolarHBondContact CB-O 3.32Å; F176-F188 HydrophobicContact CE2-CB 4.03Å; F176-F188 HydrophobicContact CZ-CB 3.94Å; V184-F188 HydrophobicContact CG1-CD2 4.35Å; V184-F188 HydrophobicContact CG1-CE2 3.98Å; V184-F188 VanDerWaalsContact O-CD2 3.24Å; V184-F188 WeakPolarHBondContact O-CD2 3.36Å; V184-F188 PolarHBondContact O-N 3.06Å; I185-F188 HydrophobicContact CD1-CD2 4.09Å; I185-F188 HydrophobicContact CD1-CE2 4.47Å; I185-F188 WeakPolarHBondContact O-CB 3.26Å; I185-F188 PolarHBondContact O-N 3.47Å; I185-F188 VanDerWaalsContact O-N 3.1Å; F188-F192 VanDerWaalsContact O-CB 3.27Å; F188-F192 WeakPolarHBondContact O-CB 3.35Å; F188-F192 PolarHBondContact O-N 3.29Å; F188-Y239 HydrophobicContact CD1-CE1 4.37Å; F188-Y239 WeakPolarHBondContact CD1-OH 3.37Å; F188-Y239 WeakPolarHBondContact CE1-OH 3.23Å; F188-A241 HydrophobicContact CB-CB 3.75Å; F188-A241 HydrophobicContact CD1-CB 4.28Å; F188-A241 HydrophobicContact CD2-CB 3.84Å; F188-A241 HydrophobicContact CE2-CB 4.48Å; F188-A241 HydrophobicContact CG-CB 3.72Å; F188-V271 HydrophobicContact CD1-CG2 4.24Å; F188-V271 HydrophobicContact CE1-CG2 3.63Å; F188-V271 HydrophobicContact CZ-CG2 3.87Å
189	E	98.8	Very high	98	Very high	29 Å²	29	31.1 Å²	31.1	14%	0.136	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-52.5	177.9	-178.9	-175.6	150.8	0	0	111.2	F176 I185 D186 G191 F192 V193 V211 Y213 P364	F176-E189 HydrophobicContact CD1-CB 4.19Å; F176-E189 HydrophobicContact CD1-CG 4.24Å; F176-E189 HydrophobicContact CE1-CB 3.72Å; F176-E189 HydrophobicContact CE1-CG 4.24Å; F176-E189 HydrophobicContact CZ-CB 3.92Å; I185-E189 PolarHBondContact O-N 2.74Å; D186-E189 PolarHBondContact O-N 3.21Å; E189-G191 PolarHBondContact O-N 3.37Å; E189-F192 PolarHBondContact O-N 3.35Å; E189-V193 HydrophobicContact CG-CG2 4.25Å; E189-V193 WeakPolarHBondContact O-CB 3.12Å; E189-V193 WeakPolarHBondContact O-CG2 3.35Å; E189-V193 PolarHBondContact O-N 3.26Å; E189-V211 VanDerWaalsContact CD-CG1 3.41Å; E189-V211 HydrophobicContact CG-CG1 4.01Å; E189-V211 HydrophobicContact CG-CG2 4.33Å; E189-V211 WeakPolarHBondContact OE2-CG1 3.37Å; E189-Y213 VanDerWaalsContact OE2-CE2 3.24Å; E189-Y213 WeakPolarHBondContact OE2-CE2 3.1Å; E189-Y213 PolarHBondContact OE2-OH 2.88Å; E189-P364 HydrophobicContact CB-CG 3.99Å; E189-P364 HydrophobicContact CG-CB 4.36Å; E189-P364 HydrophobicContact CG-CG 3.84Å; E189-P364 WeakPolarHBondContact OE1-CB 3.48Å; E189-P364 WeakPolarHBondContact OE1-CG 3.45Å
190	A	98.8	Very high	98	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-45.9	-176.6	0	0	0	0	0	111.8	D186 Q194 P361 P364	D186-A190 WeakPolarHBondContact O-CB 3.46Å; D186-A190 PolarHBondContact O-N 3.23Å; A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.36Å; A190-Q194 PolarHBondContact O-N 3.39Å; A190-P361 HydrophobicContact CB-CB 4.41Å; A190-P361 HydrophobicContact CB-CG 4.25Å; A190-P361 WeakPolarHBondContact CB-O 3.33Å; A190-P364 HydrophobicContact CB-CG 4.4Å
191	G	98.9	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-51.4	176.2	0	0	0	0	0	111.5	Q155 Y159 R187 E189 V193 Q194 G195	Q155-G191 WeakPolarHBondContact O-CA 3.38Å; Y159-G191 WeakPolarHBondContact CA-O 3.47Å; R187-G191 PolarHBondContact O-N 2.91Å; E189-G191 PolarHBondContact O-N 3.37Å; G191-V193 PolarHBondContact O-N 2.68Å; G191-Q194 PolarHBondContact O-N 3.47Å; G191-G195 PolarHBondContact O-N 3.02Å
192	F	98.9	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-51.4	-179.6	-177.3	-112.4	0	0	0	112.3	A158 A161 G162 A165 L174 F176 F188 E189 Q194 G195 V196 V209 Y239 I269	A158-F192 HydrophobicContact CB-CB 4.38Å; A158-F192 VanDerWaalsContact O-CA 3.29Å; A158-F192 WeakPolarHBondContact O-CA 3.3Å; A161-F192 HydrophobicContact CB-CD2 4.07Å; A161-F192 HydrophobicContact CB-CE2 4.44Å; G162-F192 VanDerWaalsContact CA-CD2 3.44Å; G162-F192 WeakPolarHBondContact CA-O 3.25Å; A165-F192 HydrophobicContact CB-CE2 3.8Å; A165-F192 HydrophobicContact CB-CZ 3.96Å; L174-F192 HydrophobicContact CB-CZ 4.43Å; L174-F192 HydrophobicContact CD1-CZ 4.36Å; F176-F192 HydrophobicContact CB-CD1 4.2Å; F176-F192 HydrophobicContact CB-CE1 4.37Å; F176-F192 HydrophobicContact CD2-CD1 4.22Å; F188-F192 VanDerWaalsContact O-CB 3.27Å; F188-F192 WeakPolarHBondContact O-CB 3.35Å; F188-F192 PolarHBondContact O-N 3.29Å; E189-F192 PolarHBondContact O-N 3.35Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 2.99Å; F192-G195 PolarHBondContact O-N 2.76Å; F192-V196 HydrophobicContact CE1-CG2 4.28Å; F192-V196 HydrophobicContact CE2-CG2 4.31Å; F192-V196 HydrophobicContact CZ-CG2 4.14Å; F192-V196 WeakPolarHBondContact O-CG2 3.46Å; F192-V196 PolarHBondContact O-N 2.9Å; F192-V209 HydrophobicContact CD1-CG1 4.12Å; F192-V209 HydrophobicContact CE1-CG1 3.82Å; F192-V209 HydrophobicContact CE1-CG2 4.39Å; F192-Y239 HydrophobicContact CB-CD1 3.82Å; F192-Y239 HydrophobicContact CB-CE1 4.12Å; F192-Y239 HydrophobicContact CD1-CD1 4.24Å; F192-Y239 AromaticContact CD2-CD1 3.46Å; F192-Y239 HydrophobicContact CD2-CD1 3.46Å; F192-Y239 VanDerWaalsContact CD2-CD1 3.46Å; F192-Y239 HydrophobicContact CD2-CE1 4.24Å; F192-Y239 HydrophobicContact CD2-CG 4.08Å; F192-Y239 HydrophobicContact CE2-CD1 4.04Å; F192-Y239 HydrophobicContact CE2-CG 4.21Å; F192-Y239 AromaticContact CG-CD1 3.59Å; F192-Y239 HydrophobicContact CG-CD1 3.59Å; F192-Y239 HydrophobicContact CG-CE1 4.34Å; F192-Y239 HydrophobicContact CG-CG 4.47Å; F192-I269 HydrophobicContact CE2-CD1 4.35Å
193	V	98.9	Very high	98.4	Very high	49 Å²	49	37.8 Å²	37.8	30%	0.297	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-41.9	-179.9	172.3	0	0	0	0	111.1	E189 G191 V196 K197 V209 V211	E189-V193 HydrophobicContact CG-CG2 4.25Å; E189-V193 WeakPolarHBondContact O-CB 3.12Å; E189-V193 WeakPolarHBondContact O-CG2 3.35Å; E189-V193 PolarHBondContact O-N 3.26Å; G191-V193 PolarHBondContact O-N 2.68Å; V193-V196 PolarHBondContact O-N 2.68Å; V193-K197 WeakPolarHBondContact O-CB 3.48Å; V193-K197 PolarHBondContact O-N 3.39Å; V193-V209 HydrophobicContact CG2-CB 4.41Å; V193-V209 HydrophobicContact CG2-CG1 4.31Å; V193-V209 HydrophobicContact CG2-CG2 4.48Å; V193-V211 HydrophobicContact CG2-CG2 4.44Å
194	Q	98.8	Very high	98.5	Very high	32 Å²	32	42.3 Å²	42.3	15%	0.15	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-42	178.1	-172.7	59.2	43.7	0	0	112	Y159 A190 G191 F192 V196 K197 D198 P361	Y159-Q194 HydrophobicContact CD2-CB 4.17Å; Y159-Q194 HydrophobicContact CD2-CG 4.12Å; Y159-Q194 HydrophobicContact CE2-CB 4.43Å; Y159-Q194 HydrophobicContact CE2-CG 3.97Å; A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.36Å; A190-Q194 PolarHBondContact O-N 3.39Å; G191-Q194 PolarHBondContact O-N 3.47Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 2.99Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.22Å; Q194-K197 PolarHBondContact O-N 2.85Å; Q194-D198 PolarHBondContact NE2-OD1 3.4Å; Q194-D198 PolarHBondContact NE2-OD2 3.29Å; Q194-D198 PolarHBondContact O-N 3.4Å; Q194-P361 HydrophobicContact CB-CG 3.86Å; Q194-P361 HydrophobicContact CG-CG 4.06Å
195	G	98.9	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-40.4	175.5	0	0	0	0	0	112.7	Y159 G191 F192 T199	Y159-G195 VanDerWaalsContact CD2-CA 3.43Å; Y159-G195 VanDerWaalsContact CD2-N 3.33Å; Y159-G195 VanDerWaalsContact CE2-CA 3.46Å; G191-G195 PolarHBondContact O-N 3.02Å; F192-G195 PolarHBondContact O-N 2.76Å; G195-T199 VanDerWaalsContact O-CB 3.31Å; G195-T199 WeakPolarHBondContact O-CB 3.42Å; G195-T199 PolarHBondContact O-N 3.39Å; G195-T199 PolarHBondContact O-OG1 3.46Å
196	V	98.9	Very high	98.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-51.1	173.2	171.4	0	0	0	0	110.5	L174 F192 V193 Q194 D198 T199 A200 I207 V209	L174-V196 HydrophobicContact CD1-CB 4.29Å; L174-V196 HydrophobicContact CD1-CG1 3.8Å; L174-V196 HydrophobicContact CD1-CG2 3.42Å; L174-V196 VanDerWaalsContact CD1-CG2 3.42Å; F192-V196 HydrophobicContact CE1-CG2 4.28Å; F192-V196 HydrophobicContact CE2-CG2 4.31Å; F192-V196 HydrophobicContact CZ-CG2 4.14Å; F192-V196 WeakPolarHBondContact O-CG2 3.46Å; F192-V196 PolarHBondContact O-N 2.9Å; V193-V196 PolarHBondContact O-N 2.68Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.22Å; V196-D198 PolarHBondContact O-N 2.98Å; V196-T199 PolarHBondContact O-N 2.91Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.97Å; V196-I207 HydrophobicContact CG1-CB 4.06Å; V196-I207 HydrophobicContact CG1-CG2 3.63Å; V196-V209 HydrophobicContact CB-CG2 4.16Å; V196-V209 HydrophobicContact CG1-CG2 3.89Å; V196-V209 HydrophobicContact CG2-CG2 4.1Å
197	K	98.6	Very high	98.6	Very high	95 Å²	95	51.3 Å²	51.3	41%	0.413	25%	0.25	S	S	.	.	H	α-helix	trans	-58.9	-46.9	-176.6	-177	179.8	179.6	-177.5	0	112.2	V193 Q194 K201 E365	V193-K197 WeakPolarHBondContact O-CB 3.48Å; V193-K197 PolarHBondContact O-N 3.39Å; Q194-K197 PolarHBondContact O-N 2.85Å; K197-K201 WeakPolarHBondContact O-CB 3.18Å; K197-K201 PolarHBondContact O-N 2.64Å; K197-K201 VanDerWaalsContact O-N 3.08Å; K197-E365 IonicContact NZ-OE1 3.25Å; K197-E365 PolarHBondContact NZ-OE1 3.07Å; K197-E365 IonicContact NZ-OE2 2.66Å; K197-E365 PolarHBondContact NZ-OE2 2.81Å
198	D	98.6	Very high	98.6	Very high	56 Å²	56	52.9 Å²	52.9	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-38.9	-178.8	-73.3	-23.1	0	0	0	112.1	Y159 Q194 V196 K202	Y159-D198 WeakPolarHBondContact OH-CB 3.3Å; Y159-D198 PolarHBondContact OH-OD2 3.32Å; Q194-D198 PolarHBondContact NE2-OD1 3.4Å; Q194-D198 PolarHBondContact NE2-OD2 3.29Å; Q194-D198 PolarHBondContact O-N 3.4Å; V196-D198 PolarHBondContact O-N 2.98Å; D198-K202 PolarHBondContact O-N 3.1Å; D198-K202 VanDerWaalsContact O-N 3.08Å
199	T	98.8	Very high	98.6	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-72.5	-41.7	177.7	-53.6	0	0	0	0	111.6	V163 A166 E167 G195 V196 K201 K202 L203	V163-T199 WeakPolarHBondContact CA-OG1 3.23Å; V163-T199 HydrophobicContact CG1-CG2 4.49Å; V163-T199 WeakPolarHBondContact CG2-OG1 3.22Å; A166-T199 HydrophobicContact CB-CG2 3.62Å; E167-T199 HydrophobicContact CG-CG2 3.89Å; G195-T199 VanDerWaalsContact O-CB 3.31Å; G195-T199 WeakPolarHBondContact O-CB 3.42Å; G195-T199 PolarHBondContact O-N 3.39Å; G195-T199 PolarHBondContact O-OG1 3.46Å; V196-T199 PolarHBondContact O-N 2.91Å; T199-K201 VanDerWaalsContact C-N 3.27Å; T199-K201 PolarHBondContact O-N 3.43Å; T199-K202 WeakPolarHBondContact O-CA 3.42Å; T199-K202 WeakPolarHBondContact O-CB 3.24Å; T199-K202 PolarHBondContact O-N 3.49Å; T199-L203 HydrophobicContact CG2-CD1 3.95Å; T199-L203 HydrophobicContact CG2-CG 4.26Å; T199-L203 WeakPolarHBondContact O-CB 3.46Å; T199-L203 WeakPolarHBondContact O-CG 3.49Å; T199-L203 PolarHBondContact O-N 2.82Å
200	A	98.7	Very high	98.6	Very high	7 Å²	7	55.5 Å²	55.5	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-44.2	174.4	0	0	0	0	0	111.1	V196 K202 L203 D204 K205 I207	V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.97Å; A200-K202 PolarHBondContact O-N 2.84Å; A200-L203 CarbonylContact O-C 3.4Å; A200-L203 PolarHBondContact O-N 2.89Å; A200-D204 PolarHBondContact O-N 2.62Å; A200-K205 WeakPolarHBondContact CB-O 3.48Å; A200-K205 PolarHBondContact O-N 3.38Å; A200-I207 HydrophobicContact CB-CB 4.01Å; A200-I207 HydrophobicContact CB-CD1 3.85Å; A200-I207 HydrophobicContact CB-CG1 3.89Å
201	K	98.3	Very high	98.6	Very high	178 Å²	178	57.6 Å²	57.6	77%	0.774	29%	0.294	S	S	*	.	H	α-helix	trans	-62.6	-40.6	174	-176.5	179.7	178	-177.4	0	112.8	K197 T199 L203 D204	K197-K201 WeakPolarHBondContact O-CB 3.18Å; K197-K201 PolarHBondContact O-N 2.64Å; K197-K201 VanDerWaalsContact O-N 3.08Å; T199-K201 VanDerWaalsContact C-N 3.27Å; T199-K201 PolarHBondContact O-N 3.43Å; K201-L203 VanDerWaalsContact C-N 3.32Å; K201-D204 PolarHBondContact O-N 3.07Å
202	K	97.7	Very high	98.6	Very high	123 Å²	123	60.1 Å²	60.1	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-37.3	175.8	-178.1	-177.1	175.4	-174.7	0	111.8	D198 T199 A200 E348	D198-K202 PolarHBondContact O-N 3.1Å; D198-K202 VanDerWaalsContact O-N 3.08Å; T199-K202 WeakPolarHBondContact O-CA 3.42Å; T199-K202 WeakPolarHBondContact O-CB 3.24Å; T199-K202 PolarHBondContact O-N 3.49Å; A200-K202 PolarHBondContact O-N 2.84Å; K202-E348 IonicContact NZ-OE2 2.66Å; K202-E348 PolarHBondContact NZ-OE2 3.23Å
203	L	98	Very high	98.5	Very high	56 Å²	56	62.2 Å²	62.2	29%	0.293	32%	0.315	S	S	.	.	H	α-helix	trans	-87	-3.2	-178.4	-63.6	179.2	0	0	0	114.2	T199 A200 K201 K205	T199-L203 HydrophobicContact CG2-CD1 3.95Å; T199-L203 HydrophobicContact CG2-CG 4.26Å; T199-L203 WeakPolarHBondContact O-CB 3.46Å; T199-L203 WeakPolarHBondContact O-CG 3.49Å; T199-L203 PolarHBondContact O-N 2.82Å; A200-L203 CarbonylContact O-C 3.4Å; A200-L203 PolarHBondContact O-N 2.89Å; K201-L203 VanDerWaalsContact C-N 3.32Å; L203-K205 HydrophobicContact CB-CB 4.45Å; L203-K205 HydrophobicContact CB-CD 4.01Å; L203-K205 HydrophobicContact CB-CG 3.97Å; L203-K205 HydrophobicContact CD1-CD 4.15Å; L203-K205 PolarHBondContact O-N 3.42Å
204	D	97.9	Very high	98.5	Very high	160 Å²	160	59.9 Å²	59.9	86%	0.856	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.9	-171.7	-162	37.4	0	0	0	112.5	A200 K201	A200-D204 PolarHBondContact O-N 2.62Å; K201-D204 PolarHBondContact O-N 3.07Å
205	K	98.2	Very high	98.4	Very high	79 Å²	79	61.8 Å²	61.8	34%	0.343	32%	0.321	S	S	.	.			trans	-113.5	146.3	177.4	-67.5	179.1	179.6	179.9	0	110.3	A200 L203 I207	A200-K205 WeakPolarHBondContact CB-O 3.48Å; A200-K205 PolarHBondContact O-N 3.38Å; L203-K205 HydrophobicContact CB-CB 4.45Å; L203-K205 HydrophobicContact CB-CD 4.01Å; L203-K205 HydrophobicContact CB-CG 3.97Å; L203-K205 HydrophobicContact CD1-CD 4.15Å; L203-K205 PolarHBondContact O-N 3.42Å; K205-I207 HydrophobicContact CB-CD1 4.11Å; K205-I207 HydrophobicContact CB-CG1 3.86Å; K205-I207 HydrophobicContact CD-CD1 4.19Å
206	D	98.1	Very high	98.3	Very high	147 Å²	147	63 Å²	63	79%	0.786	33%	0.33	S	S	*	.			trans	-92.8	108.6	164.8	-175	14.7	0	0	0	108.4	N172	N172-D206 VanDerWaalsContact CB-O 3.27Å; N172-D206 WeakPolarHBondContact CB-O 3.47Å
207	I	98.8	Very high	98.2	Very high	20 Å²	20	63.9 Å²	63.9	10%	0.103	33%	0.334	C	S	.	.			trans	-120.7	123.1	-177.3	-55.1	-179.8	0	0	0	108.8	A166 T169 N172 L174 V196 A200 K205	A166-I207 HydrophobicContact CB-CD1 3.77Å; T169-I207 HydrophobicContact CG2-CD1 3.99Å; T169-I207 HydrophobicContact CG2-CG2 4.43Å; N172-I207 HydrophobicContact CB-CG1 4.03Å; N172-I207 WeakPolarHBondContact O-CA 3.32Å; L174-I207 HydrophobicContact CD1-CG2 3.66Å; L174-I207 HydrophobicContact CG-CG2 3.89Å; V196-I207 HydrophobicContact CG1-CB 4.06Å; V196-I207 HydrophobicContact CG1-CG2 3.63Å; A200-I207 HydrophobicContact CB-CB 4.01Å; A200-I207 HydrophobicContact CB-CD1 3.85Å; A200-I207 HydrophobicContact CB-CG1 3.89Å; K205-I207 HydrophobicContact CB-CD1 4.11Å; K205-I207 HydrophobicContact CB-CG1 3.86Å; K205-I207 HydrophobicContact CD-CD1 4.19Å
208	S	98.6	Very high	98	Very high	61 Å²	61	61 Å²	61	43%	0.427	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.8	177.1	63	0	0	0	0	111.8	N172 L174	N172-S208 PolarHBondContact O-N 2.9Å; L174-S208 PolarHBondContact N-O 3.3Å
209	V	98.9	Very high	97.9	Very high	36 Å²	36	61 Å²	61	22%	0.218	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.3	172.5	-173.1	0	0	0	0	109.6	L174 F176 F192 V193 V196 V211	L174-V209 HydrophobicContact CB-CG2 4.24Å; L174-V209 CarbonylContact O-C 3.6Å; L174-V209 WeakPolarHBondContact O-CA 3.32Å; F176-V209 HydrophobicContact CB-CG1 4.17Å; F192-V209 HydrophobicContact CD1-CG1 4.12Å; F192-V209 HydrophobicContact CE1-CG1 3.82Å; F192-V209 HydrophobicContact CE1-CG2 4.39Å; V193-V209 HydrophobicContact CG2-CB 4.41Å; V193-V209 HydrophobicContact CG2-CG1 4.31Å; V193-V209 HydrophobicContact CG2-CG2 4.48Å; V196-V209 HydrophobicContact CB-CG2 4.16Å; V196-V209 HydrophobicContact CG1-CG2 3.89Å; V196-V209 HydrophobicContact CG2-CG2 4.1Å; V209-V211 HydrophobicContact CG1-CG2 3.96Å
210	D	98.8	Very high	97.9	Very high	53 Å²	53	63.4 Å²	63.4	28%	0.283	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.1	168.9	-178.3	1	0	0	0	109	L174 G175 F176 Q212 M230 V235	L174-D210 PolarHBondContact O-N 3.28Å; G175-D210 CarbonylContact C-O 3.59Å; G175-D210 WeakPolarHBondContact CA-O 3.44Å; F176-D210 PolarHBondContact N-O 2.82Å; D210-Q212 WeakPolarHBondContact OD1-CG 3.5Å; D210-Q212 PolarHBondContact OD1-NE2 3.43Å; D210-Q212 PolarHBondContact OD2-NE2 3.36Å; D210-M230 HydrophobicContact CB-CE 4.46Å; D210-M230 WeakPolarHBondContact O-CE 3.12Å; D210-V235 HydrophobicContact CB-CG2 4.42Å
211	V	98.8	Very high	97.9	Very high	47 Å²	47	67.6 Å²	67.6	29%	0.285	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.3	-177.5	-179.4	0	0	0	0	109.1	F176 E189 V193 V209 Y213	F176-V211 HydrophobicContact CB-CG2 4.27Å; F176-V211 HydrophobicContact CD1-CG1 3.81Å; E189-V211 VanDerWaalsContact CD-CG1 3.41Å; E189-V211 HydrophobicContact CG-CG1 4.01Å; E189-V211 HydrophobicContact CG-CG2 4.33Å; E189-V211 WeakPolarHBondContact OE2-CG1 3.37Å; V193-V211 HydrophobicContact CG2-CG2 4.44Å; V209-V211 HydrophobicContact CG1-CG2 3.96Å; V211-Y213 HydrophobicContact CG1-CD2 4.4Å; V211-Y213 HydrophobicContact CG1-CE2 3.85Å
212	Q	98.7	Very high	97.9	Very high	53 Å²	53	63 Å²	63	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.8	175.4	-59.8	-177.2	34.3	0	0	111.6	F176 V177 G178 D210 L226 M230	F176-Q212 PolarHBondContact O-N 3.32Å; V177-Q212 CarbonylContact C-O 3.51Å; V177-Q212 VanDerWaalsContact CA-O 3.3Å; V177-Q212 WeakPolarHBondContact CA-O 3.48Å; G178-Q212 PolarHBondContact N-O 2.93Å; D210-Q212 WeakPolarHBondContact OD1-CG 3.5Å; D210-Q212 PolarHBondContact OD1-NE2 3.43Å; D210-Q212 PolarHBondContact OD2-NE2 3.36Å; Q212-L226 HydrophobicContact CB-CD2 4.16Å; Q212-M230 HydrophobicContact CB-CE 3.73Å; Q212-M230 HydrophobicContact CG-CE 3.64Å
213	Y	98.5	Very high	98	Very high	45 Å²	45	57.2 Å²	57.2	18%	0.176	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.8	178	-77.1	-104	0	0	0	111.5	G178 E180 E181 I185 E189 V211 A215	G178-Y213 CarbonylContact O-C 3.54Å; G178-Y213 WeakPolarHBondContact O-CA 3.36Å; E180-Y213 WeakPolarHBondContact O-CE1 3.39Å; E181-Y213 HydrophobicContact CG-CD1 3.99Å; E181-Y213 HydrophobicContact CG-CE1 4.25Å; E181-Y213 HydrophobicContact CG-CG 4.19Å; I185-Y213 HydrophobicContact CB-CE1 4Å; I185-Y213 HydrophobicContact CG2-CD1 4.34Å; I185-Y213 HydrophobicContact CG2-CE1 3.39Å; E189-Y213 VanDerWaalsContact OE2-CE2 3.24Å; E189-Y213 WeakPolarHBondContact OE2-CE2 3.1Å; E189-Y213 PolarHBondContact OE2-OH 2.88Å; V211-Y213 HydrophobicContact CG1-CD2 4.4Å; V211-Y213 HydrophobicContact CG1-CE2 3.85Å; Y213-A215 VanDerWaalsContact C-N 3.33Å
214	A	98.2	Very high	98	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.334	C	S	.	.			trans	-80.5	-12.5	177.7	0	0	0	0	0	113.1	G178 G179 S216 K222 L226 T245	G178-A214 PolarHBondContact O-N 2.97Å; G179-A214 CarbonylContact O-C 3.53Å; G179-A214 PolarHBondContact O-N 3.18Å; A214-S216 PolarHBondContact O-N 2.8Å; A214-S216 VanDerWaalsContact O-N 3.12Å; A214-K222 HydrophobicContact CB-CD 4.38Å; A214-K222 HydrophobicContact CB-CG 4.29Å; A214-K222 WeakPolarHBondContact O-CD 3.29Å; A214-K222 WeakPolarHBondContact O-CE 3.43Å; A214-K222 PolarHBondContact O-NZ 2.89Å; A214-L226 HydrophobicContact CB-CD1 3.96Å; A214-T245 HydrophobicContact CB-CG2 3.63Å
215	A	96.9	Very high	98.1	Very high	71 Å²	71	53.6 Å²	53.6	59%	0.587	31%	0.314	S	S	*	.	S	Bend	trans	45.7	35.5	-168	0	0	0	0	0	112.9	G179 Y213	G179-A215 CarbonylContact O-C 3.58Å; G179-A215 VanDerWaalsContact O-CA 3.24Å; G179-A215 WeakPolarHBondContact O-CA 3.38Å; G179-A215 PolarHBondContact O-N 3.07Å; Y213-A215 VanDerWaalsContact C-N 3.33Å
216	S	96.3	Very high	98.1	Very high	26 Å²	26	50.7 Å²	50.7	18%	0.182	30%	0.302	C	S	.	.			trans	-169.9	140	174.7	-174.8	0	0	0	0	111.1	G179 A214 G218 D219 T245	G179-S216 PolarHBondContact O-N 2.7Å; A214-S216 PolarHBondContact O-N 2.8Å; A214-S216 VanDerWaalsContact O-N 3.12Å; S216-G218 PolarHBondContact OG-N 3.02Å; S216-D219 PolarHBondContact OG-N 3.01Å; S216-T245 WeakPolarHBondContact O-CB 3.39Å; S216-T245 PolarHBondContact O-OG1 3.24Å
217	F	96.1	Very high	98.1	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.096	27%	0.265	C	S	.	.	S	Bend	trans	-89.3	-5.7	165.6	-65.3	-70.7	0	0	0	114.1	Y116 L117 E180 I185 G244 T245	Y116-F217 HydrophobicContact CE1-CE2 4.15Å; Y116-F217 HydrophobicContact CE1-CZ 4.08Å; Y116-F217 WeakPolarHBondContact OH-CE2 3.44Å; L117-F217 HydrophobicContact CD1-CD2 4.41Å; L117-F217 HydrophobicContact CD1-CE2 4.34Å; E180-F217 HydrophobicContact CB-CD2 4.34Å; E180-F217 HydrophobicContact CB-CE2 3.65Å; E180-F217 HydrophobicContact CB-CZ 4Å; E180-F217 HydrophobicContact CG-CD2 3.94Å; E180-F217 HydrophobicContact CG-CE2 3.78Å; E180-F217 HydrophobicContact CG-CZ 4.42Å; I185-F217 HydrophobicContact CD1-CE1 3.9Å; I185-F217 HydrophobicContact CD1-CZ 3.92Å; I185-F217 HydrophobicContact CG1-CE1 4.25Å; I185-F217 HydrophobicContact CG1-CZ 3.9Å; F217-G244 CarbonylContact O-C 3.54Å; F217-G244 VanDerWaalsContact O-CA 3.3Å; F217-G244 WeakPolarHBondContact O-CA 3.4Å; F217-G244 PolarHBondContact O-N 3.23Å; F217-T245 VanDerWaalsContact C-OG1 3.23Å; F217-T245 PolarHBondContact O-N 3.49Å
218	G	95.7	Very high	98.1	Very high	33 Å²	33	43.6 Å²	43.6	34%	0.34	27%	0.267	S	S	.	.	S	Bend	trans	-121.9	17.6	-171.6	0	0	0	0	0	115.8	S216 P220 T245	S216-G218 PolarHBondContact OG-N 3.02Å; G218-P220 VanDerWaalsContact O-CD 3.32Å; G218-P220 WeakPolarHBondContact O-CD 3.45Å; G218-T245 PolarHBondContact N-OG1 3.15Å
219	D	96.9	Very high	98.2	Very high	57 Å²	57	45.3 Å²	45.3	31%	0.305	27%	0.271	S	S	.	.			trans	-120.1	79.8	-177.8	-171.1	-10.8	0	0	0	112.9	S216 S221 K222 G223 T245	S216-D219 PolarHBondContact OG-N 3.01Å; D219-S221 PolarHBondContact O-N 2.77Å; D219-S221 VanDerWaalsContact O-N 3.13Å; D219-S221 WeakPolarHBondContact OD1-CA 3.31Å; D219-S221 WeakPolarHBondContact OD1-CB 3.25Å; D219-S221 PolarHBondContact OD1-N 3.43Å; D219-K222 HydrophobicContact CB-CB 4.08Å; D219-K222 VanDerWaalsContact CG-CB 3.49Å; D219-K222 PolarHBondContact O-N 2.77Å; D219-K222 VanDerWaalsContact O-N 3.14Å; D219-K222 PolarHBondContact OD1-N 2.91Å; D219-K222 WeakPolarHBondContact OD2-CB 3.48Å; D219-G223 PolarHBondContact O-N 3.4Å; D219-G223 VanDerWaalsContact O-N 3.1Å; D219-T245 PolarHBondContact N-OG1 3.35Å; D219-T245 WeakPolarHBondContact O-CG2 3.48Å
220	P	98	Very high	98.2	Very high	57 Å²	57	43.6 Å²	43.6	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-57.7	-25.7	174.3	-22.1	29.9	0	0	0	113.9	G218 K224 G248	G218-P220 VanDerWaalsContact O-CD 3.32Å; G218-P220 WeakPolarHBondContact O-CD 3.45Å; P220-K224 WeakPolarHBondContact O-CB 3.32Å; P220-K224 PolarHBondContact O-N 2.91Å; P220-G248 WeakPolarHBondContact O-CA 3.32Å
221	S	98.6	Very high	98.2	Very high	96 Å²	96	41.7 Å²	41.7	67%	0.671	25%	0.25	S	C	*	.	H	α-helix	trans	-69	-40.8	178.9	-60.8	0	0	0	0	110.7	D219 K224 A225	D219-S221 PolarHBondContact O-N 2.77Å; D219-S221 VanDerWaalsContact O-N 3.13Å; D219-S221 WeakPolarHBondContact OD1-CA 3.31Å; D219-S221 WeakPolarHBondContact OD1-CB 3.25Å; D219-S221 PolarHBondContact OD1-N 3.43Å; S221-K224 PolarHBondContact O-N 3.13Å; S221-A225 PolarHBondContact O-N 2.89Å; S221-A225 VanDerWaalsContact O-N 3.07Å
222	K	98.6	Very high	98.2	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-43.9	173.8	-169.3	161.8	-179.9	-173.5	0	111.9	A214 D219 K224 A225 L226	A214-K222 HydrophobicContact CB-CD 4.38Å; A214-K222 HydrophobicContact CB-CG 4.29Å; A214-K222 WeakPolarHBondContact O-CD 3.29Å; A214-K222 WeakPolarHBondContact O-CE 3.43Å; A214-K222 PolarHBondContact O-NZ 2.89Å; D219-K222 HydrophobicContact CB-CB 4.08Å; D219-K222 VanDerWaalsContact CG-CB 3.49Å; D219-K222 PolarHBondContact O-N 2.77Å; D219-K222 VanDerWaalsContact O-N 3.14Å; D219-K222 PolarHBondContact OD1-N 2.91Å; D219-K222 WeakPolarHBondContact OD2-CB 3.48Å; K222-K224 VanDerWaalsContact C-N 3.27Å; K222-K224 PolarHBondContact O-N 3.37Å; K222-A225 PolarHBondContact O-N 3.05Å; K222-A225 VanDerWaalsContact O-N 3.11Å; K222-L226 HydrophobicContact CG-CD1 4.39Å; K222-L226 WeakPolarHBondContact O-CG 3.38Å; K222-L226 PolarHBondContact O-N 2.92Å
223	G	98.9	Very high	98.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-42.8	173.8	0	0	0	0	0	112.5	D219 L226 A227	D219-G223 PolarHBondContact O-N 3.4Å; D219-G223 VanDerWaalsContact O-N 3.1Å; G223-L226 PolarHBondContact O-N 3.25Å; G223-A227 WeakPolarHBondContact O-CB 3.19Å; G223-A227 PolarHBondContact O-N 3.06Å
224	K	98.9	Very high	98.2	Very high	90 Å²	90	44.2 Å²	44.2	39%	0.391	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-44.6	175.2	-168.1	-177.5	-179	168.4	0	112.6	P220 S221 K222 A227 A228 G248 E252	P220-K224 WeakPolarHBondContact O-CB 3.32Å; P220-K224 PolarHBondContact O-N 2.91Å; S221-K224 PolarHBondContact O-N 3.13Å; K222-K224 VanDerWaalsContact C-N 3.27Å; K222-K224 PolarHBondContact O-N 3.37Å; K224-A227 PolarHBondContact O-N 3.46Å; K224-A228 WeakPolarHBondContact O-CB 3.34Å; K224-A228 PolarHBondContact O-N 2.75Å; K224-G248 WeakPolarHBondContact CA-O 3.4Å; K224-G248 WeakPolarHBondContact CB-O 3.36Å; K224-E252 WeakPolarHBondContact CE-OE2 3.49Å; K224-E252 HydrophobicContact CG-CB 3.87Å
225	A	98.9	Very high	98.2	Very high	51 Å²	51	44.6 Å²	44.6	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-42.1	179.9	0	0	0	0	0	112.4	S221 K222 A228 N229	S221-A225 PolarHBondContact O-N 2.89Å; S221-A225 VanDerWaalsContact O-N 3.07Å; K222-A225 PolarHBondContact O-N 3.05Å; K222-A225 VanDerWaalsContact O-N 3.11Å; A225-A228 PolarHBondContact O-N 3.22Å; A225-N229 PolarHBondContact O-N 3.44Å; A225-N229 VanDerWaalsContact O-N 3.09Å; A225-N229 PolarHBondContact O-ND2 3.28Å
226	L	98.9	Very high	98.3	Very high	18 Å²	18	42 Å²	42	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-49.2	175.5	-65.2	172.9	0	0	0	110.9	V177 Q212 A214 K222 G223 A228 N229 M230	V177-L226 HydrophobicContact CG1-CD1 3.94Å; V177-L226 HydrophobicContact CG2-CB 4.43Å; Q212-L226 HydrophobicContact CB-CD2 4.16Å; A214-L226 HydrophobicContact CB-CD1 3.96Å; K222-L226 HydrophobicContact CG-CD1 4.39Å; K222-L226 WeakPolarHBondContact O-CG 3.38Å; K222-L226 PolarHBondContact O-N 2.92Å; G223-L226 PolarHBondContact O-N 3.25Å; L226-A228 VanDerWaalsContact C-N 3.31Å; L226-A228 PolarHBondContact O-N 3.07Å; L226-N229 PolarHBondContact O-N 3.08Å; L226-N229 VanDerWaalsContact O-N 3.17Å; L226-M230 WeakPolarHBondContact O-CG 3.23Å; L226-M230 PolarHBondContact O-N 3.17Å
227	A	99	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-41.8	176.9	0	0	0	0	0	112.2	G223 K224 N229 M230 Y231 I238 V249 E252	G223-A227 WeakPolarHBondContact O-CB 3.19Å; G223-A227 PolarHBondContact O-N 3.06Å; K224-A227 PolarHBondContact O-N 3.46Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 2.98Å; A227-M230 PolarHBondContact O-N 3.45Å; A227-Y231 HydrophobicContact CB-CD2 4.3Å; A227-Y231 HydrophobicContact CB-CE2 4.03Å; A227-Y231 WeakPolarHBondContact O-CB 3.34Å; A227-Y231 WeakPolarHBondContact O-CD2 3.4Å; A227-Y231 VanDerWaalsContact O-CG 3.3Å; A227-Y231 PolarHBondContact O-N 2.91Å; A227-I238 HydrophobicContact CB-CD1 3.83Å; A227-V249 HydrophobicContact CB-CB 4.27Å; A227-V249 HydrophobicContact CB-CG1 4Å; A227-V249 HydrophobicContact CB-CG2 4.31Å; A227-E252 HydrophobicContact CB-CB 3.94Å; A227-E252 HydrophobicContact CB-CG 4.11Å
228	A	98.9	Very high	98.5	Very high	18 Å²	18	39.8 Å²	39.8	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-42.1	177.9	0	0	0	0	0	111.7	K224 A225 L226 N232 E252 R256	K224-A228 WeakPolarHBondContact O-CB 3.34Å; K224-A228 PolarHBondContact O-N 2.75Å; A225-A228 PolarHBondContact O-N 3.22Å; L226-A228 VanDerWaalsContact C-N 3.31Å; L226-A228 PolarHBondContact O-N 3.07Å; A228-N232 VanDerWaalsContact O-CB 3.3Å; A228-N232 WeakPolarHBondContact O-CB 3.24Å; A228-N232 PolarHBondContact O-N 2.59Å; A228-N232 PolarHBondContact O-ND2 2.83Å; A228-N232 VanDerWaalsContact O-ND2 3.14Å; A228-N232 PolarHBondContact O-OD1 3.33Å; A228-E252 HydrophobicContact CB-CG 4.02Å; A228-E252 WeakPolarHBondContact CB-OE1 3.41Å; A228-R256 PolarHBondContact O-NH2 3Å
229	N	98.9	Very high	98.7	Very high	97 Å²	97	38.2 Å²	38.2	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-46.4	177.2	-69.2	-22.1	0	0	0	111.8	A225 L226 A227 N232 A233	A225-N229 PolarHBondContact O-N 3.44Å; A225-N229 VanDerWaalsContact O-N 3.09Å; A225-N229 PolarHBondContact O-ND2 3.28Å; L226-N229 PolarHBondContact O-N 3.08Å; L226-N229 VanDerWaalsContact O-N 3.17Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 2.98Å; N229-N232 PolarHBondContact O-N 3.26Å; N229-A233 PolarHBondContact O-N 2.91Å
230	M	98.9	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-50.7	177	-73.8	178.8	175.6	0	0	111.7	F176 V177 D210 Q212 L226 A227 N232 A233 G234 V235 I238	F176-M230 WeakPolarHBondContact O-CE 3.5Å; V177-M230 HydrophobicContact CG2-CE 3.83Å; V177-M230 HydrophobicContact CG2-SD 3.8Å; D210-M230 HydrophobicContact CB-CE 4.46Å; D210-M230 WeakPolarHBondContact O-CE 3.12Å; Q212-M230 HydrophobicContact CB-CE 3.73Å; Q212-M230 HydrophobicContact CG-CE 3.64Å; L226-M230 WeakPolarHBondContact O-CG 3.23Å; L226-M230 PolarHBondContact O-N 3.17Å; A227-M230 PolarHBondContact O-N 3.45Å; M230-N232 VanDerWaalsContact C-N 3.29Å; M230-N232 PolarHBondContact O-N 3.41Å; M230-A233 CarbonylContact O-C 3.46Å; M230-A233 WeakPolarHBondContact O-CA 3.5Å; M230-A233 WeakPolarHBondContact O-CB 3.19Å; M230-A233 PolarHBondContact O-N 3.32Å; M230-G234 PolarHBondContact O-N 3Å; M230-V235 HydrophobicContact CB-CB 3.98Å; M230-V235 HydrophobicContact CB-CG1 4.36Å; M230-V235 HydrophobicContact CB-CG2 3.93Å; M230-V235 HydrophobicContact CG-CG2 4.48Å; M230-V235 WeakPolarHBondContact O-CB 3.27Å; M230-V235 PolarHBondContact O-N 3.36Å; M230-I238 HydrophobicContact CB-CD1 3.88Å; M230-I238 HydrophobicContact SD-CD1 3.85Å; M230-I238 HydrophobicContact SD-CG1 4.14Å; M230-I238 HydrophobicContact SD-CG2 4.43Å
231	Y	98.9	Very high	98.8	Very high	13 Å²	13	32.9 Å²	32.9	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-35.3	178.2	-66.7	-42	0	0	0	112.2	A227 A233 G234 V235 I238 E252 A253 R256 V266 W267 V268	A227-Y231 HydrophobicContact CB-CD2 4.3Å; A227-Y231 HydrophobicContact CB-CE2 4.03Å; A227-Y231 WeakPolarHBondContact O-CB 3.34Å; A227-Y231 WeakPolarHBondContact O-CD2 3.4Å; A227-Y231 VanDerWaalsContact O-CG 3.3Å; A227-Y231 PolarHBondContact O-N 2.91Å; Y231-A233 VanDerWaalsContact C-N 3.28Å; Y231-A233 PolarHBondContact O-N 2.88Å; Y231-G234 PolarHBondContact O-N 3.25Å; Y231-G234 VanDerWaalsContact O-N 3.16Å; Y231-V235 VanDerWaalsContact CD1-O 3.32Å; Y231-V235 WeakPolarHBondContact CD1-O 3.22Å; Y231-I238 HydrophobicContact CD1-CD1 4.04Å; Y231-I238 HydrophobicContact CD1-CG1 4.43Å; Y231-I238 HydrophobicContact CD2-CD1 4.27Å; Y231-I238 HydrophobicContact CE1-CD1 3.53Å; Y231-I238 HydrophobicContact CE1-CG1 3.69Å; Y231-I238 HydrophobicContact CE2-CD1 3.8Å; Y231-I238 HydrophobicContact CG-CD1 4.39Å; Y231-I238 VanDerWaalsContact CZ-CD1 3.4Å; Y231-E252 HydrophobicContact CD2-CG 3.88Å; Y231-E252 HydrophobicContact CE2-CG 4.17Å; Y231-A253 HydrophobicContact CE2-CB 3.99Å; Y231-A253 WeakPolarHBondContact OH-CB 3.34Å; Y231-R256 VanDerWaalsContact CB-CZ 3.42Å; Y231-V266 HydrophobicContact CD1-CB 3.87Å; Y231-V266 HydrophobicContact CD1-CG1 3.74Å; Y231-V266 HydrophobicContact CD1-CG2 4.21Å; Y231-V266 HydrophobicContact CD2-CG2 4.43Å; Y231-V266 HydrophobicContact CE1-CB 3.52Å; Y231-V266 HydrophobicContact CE1-CG1 3.94Å; Y231-V266 HydrophobicContact CE1-CG2 3.85Å; Y231-V266 HydrophobicContact CE2-CG2 4.06Å; Y231-V266 HydrophobicContact CG-CG1 4.33Å; Y231-W267 PolarHBondContact OH-O 3.08Å; Y231-W267 VanDerWaalsContact OH-O 3.07Å; Y231-V268 WeakPolarHBondContact OH-CG2 3.44Å
232	N	98.7	Very high	98.8	Very high	113 Å²	113	28.3 Å²	28.3	60%	0.604	17%	0.167	S	C	*	.	H	α-helix	trans	-66.9	-28.5	172.7	-70.6	-15.8	0	0	0	112.9	A228 N229 M230 G234 R256	A228-N232 VanDerWaalsContact O-CB 3.3Å; A228-N232 WeakPolarHBondContact O-CB 3.24Å; A228-N232 PolarHBondContact O-N 2.59Å; A228-N232 PolarHBondContact O-ND2 2.83Å; A228-N232 VanDerWaalsContact O-ND2 3.14Å; A228-N232 PolarHBondContact O-OD1 3.33Å; N229-N232 PolarHBondContact O-N 3.26Å; M230-N232 VanDerWaalsContact C-N 3.29Å; M230-N232 PolarHBondContact O-N 3.41Å; N232-G234 PolarHBondContact O-N 3.04Å; N232-R256 PolarHBondContact OD1-NH1 3.38Å; N232-R256 PolarHBondContact OD1-NH2 3.49Å
233	A	98.7	Very high	98.7	Very high	52 Å²	52	24.7 Å²	24.7	43%	0.43	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.6	174	0	0	0	0	0	113.6	K173 N229 M230 Y231	K173-A233 PolarHBondContact NZ-O 3.07Å; N229-A233 PolarHBondContact O-N 2.91Å; M230-A233 CarbonylContact O-C 3.46Å; M230-A233 WeakPolarHBondContact O-CA 3.5Å; M230-A233 WeakPolarHBondContact O-CB 3.19Å; M230-A233 PolarHBondContact O-N 3.32Å; Y231-A233 VanDerWaalsContact C-N 3.28Å; Y231-A233 PolarHBondContact O-N 2.88Å
234	G	98.5	Very high	98.5	Very high	32 Å²	32	25 Å²	25	33%	0.33	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	12.4	177.3	0	0	0	0	0	114.6	S171 M230 Y231 N232	S171-G234 VanDerWaalsContact CB-O 3.24Å; S171-G234 WeakPolarHBondContact CB-O 3.34Å; S171-G234 PolarHBondContact OG-O 2.7Å; M230-G234 PolarHBondContact O-N 3Å; Y231-G234 PolarHBondContact O-N 3.25Å; Y231-G234 VanDerWaalsContact O-N 3.16Å; N232-G234 PolarHBondContact O-N 3.04Å
235	V	98.9	Very high	98.5	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.048	14%	0.138	C	C	.	.			trans	-58.8	138.2	165.3	172	0	0	0	0	108.6	K173 D210 M230 Y231 I237 I238	K173-V235 HydrophobicContact CB-CG2 4.26Å; K173-V235 VanDerWaalsContact O-CA 3.25Å; K173-V235 WeakPolarHBondContact O-CA 3.16Å; D210-V235 HydrophobicContact CB-CG2 4.42Å; M230-V235 HydrophobicContact CB-CB 3.98Å; M230-V235 HydrophobicContact CB-CG1 4.36Å; M230-V235 HydrophobicContact CB-CG2 3.93Å; M230-V235 HydrophobicContact CG-CG2 4.48Å; M230-V235 WeakPolarHBondContact O-CB 3.27Å; M230-V235 PolarHBondContact O-N 3.36Å; Y231-V235 VanDerWaalsContact CD1-O 3.32Å; Y231-V235 WeakPolarHBondContact CD1-O 3.22Å; V235-I237 VanDerWaalsContact CG1-O 3.31Å; V235-I237 WeakPolarHBondContact CG1-O 3.44Å; V235-I238 HydrophobicContact CG1-CG1 3.73Å
236	D	98.8	Very high	98.5	Very high	17 Å²	17	18.3 Å²	18.3	9%	0.091	12%	0.118	C	C	.	.			trans	-115.7	-16.6	177.9	66.9	-10.9	0	0	0	113.9	T169 K170 S171 K173 V266 W267	T169-D236 WeakPolarHBondContact CB-OD1 3.06Å; T169-D236 VanDerWaalsContact OG1-CG 3.24Å; T169-D236 PolarHBondContact OG1-OD1 2.98Å; T169-D236 PolarHBondContact OG1-OD2 2.83Å; T169-D236 VanDerWaalsContact OG1-OD2 3.08Å; K170-D236 PolarHBondContact N-OD2 3.2Å; S171-D236 PolarHBondContact N-OD2 3.46Å; S171-D236 PolarHBondContact OG-OD1 2.88Å; S171-D236 PolarHBondContact OG-OD2 2.78Å; K173-D236 PolarHBondContact O-N 3.18Å; K173-D236 VanDerWaalsContact O-N 3.1Å; D236-V266 CarbonylContact O-C 3.53Å; D236-V266 VanDerWaalsContact O-CA 3.29Å; D236-V266 WeakPolarHBondContact O-CA 3.46Å; D236-W267 PolarHBondContact O-N 2.91Å
237	I	99	Very high	98.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.4	175.8	-49.7	175.2	0	0	0	108.7	A165 T168 L174 G175 V235 W267 I269 L293	A165-I237 HydrophobicContact CB-CG2 4.36Å; T168-I237 HydrophobicContact CG2-CD1 3.81Å; L174-I237 HydrophobicContact CD2-CB 3.75Å; L174-I237 HydrophobicContact CD2-CD1 4.17Å; L174-I237 HydrophobicContact CD2-CG1 4.22Å; G175-I237 PolarHBondContact N-O 2.88Å; V235-I237 VanDerWaalsContact CG1-O 3.31Å; V235-I237 WeakPolarHBondContact CG1-O 3.44Å; I237-W267 WeakPolarHBondContact CA-O 3.24Å; I237-W267 HydrophobicContact CB-CB 4.38Å; I237-W267 HydrophobicContact CG1-CB 4.04Å; I237-W267 HydrophobicContact CG1-CG 4.41Å; I237-W267 HydrophobicContact CG2-CB 4.15Å; I237-I269 HydrophobicContact CG2-CD1 3.97Å; I237-I269 HydrophobicContact CG2-CG1 4Å; I237-L293 HydrophobicContact CD1-CD2 4.06Å; I237-L293 HydrophobicContact CG2-CD2 4.19Å
238	I	99	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.8	174.4	-61.7	177.7	0	0	0	109.5	G175 V177 A227 M230 Y231 V235 V249 W267 V268 I269	G175-I238 CarbonylContact O-C 3.28Å; G175-I238 WeakPolarHBondContact O-CA 3.32Å; V177-I238 HydrophobicContact CB-CG2 4.48Å; V177-I238 HydrophobicContact CG2-CG2 3.82Å; A227-I238 HydrophobicContact CB-CD1 3.83Å; M230-I238 HydrophobicContact CB-CD1 3.88Å; M230-I238 HydrophobicContact SD-CD1 3.85Å; M230-I238 HydrophobicContact SD-CG1 4.14Å; M230-I238 HydrophobicContact SD-CG2 4.43Å; Y231-I238 HydrophobicContact CD1-CD1 4.04Å; Y231-I238 HydrophobicContact CD1-CG1 4.43Å; Y231-I238 HydrophobicContact CD2-CD1 4.27Å; Y231-I238 HydrophobicContact CE1-CD1 3.53Å; Y231-I238 HydrophobicContact CE1-CG1 3.69Å; Y231-I238 HydrophobicContact CE2-CD1 3.8Å; Y231-I238 HydrophobicContact CG-CD1 4.39Å; Y231-I238 VanDerWaalsContact CZ-CD1 3.4Å; V235-I238 HydrophobicContact CG1-CG1 3.73Å; I238-V249 HydrophobicContact CB-CG1 4.07Å; I238-V249 HydrophobicContact CD1-CG1 4.29Å; I238-V249 HydrophobicContact CG2-CG1 3.72Å; I238-W267 PolarHBondContact N-O 2.78Å; I238-V268 CarbonylContact O-C 3.56Å; I238-V268 VanDerWaalsContact O-CA 3.28Å; I238-V268 WeakPolarHBondContact O-CA 3.38Å; I238-I269 PolarHBondContact O-N 3.33Å
239	Y	99	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.6	162.2	-179.3	-144.4	0	0	0	109.1	A158 A161 G175 F176 V177 F188 F192 I269 V271 T296	A158-Y239 HydrophobicContact CB-CE1 3.96Å; A161-Y239 HydrophobicContact CB-CD1 4.41Å; A161-Y239 HydrophobicContact CB-CE1 4.29Å; G175-Y239 PolarHBondContact O-N 2.83Å; F176-Y239 CarbonylContact C-O 3.56Å; F176-Y239 VanDerWaalsContact CA-O 3.23Å; F176-Y239 WeakPolarHBondContact CA-O 3.31Å; F176-Y239 AromaticContact CD2-CD1 3.73Å; F176-Y239 HydrophobicContact CD2-CD1 3.73Å; F176-Y239 HydrophobicContact CD2-CE1 4.4Å; F176-Y239 HydrophobicContact CD2-CG 4.33Å; F176-Y239 AromaticContact CE2-CD1 3.86Å; F176-Y239 HydrophobicContact CE2-CD1 3.86Å; F176-Y239 HydrophobicContact CE2-CE1 4.07Å; V177-Y239 PolarHBondContact N-O 3.12Å; F188-Y239 HydrophobicContact CD1-CE1 4.37Å; F188-Y239 WeakPolarHBondContact CD1-OH 3.37Å; F188-Y239 WeakPolarHBondContact CE1-OH 3.23Å; F192-Y239 HydrophobicContact CB-CD1 3.82Å; F192-Y239 HydrophobicContact CB-CE1 4.12Å; F192-Y239 HydrophobicContact CD1-CD1 4.24Å; F192-Y239 AromaticContact CD2-CD1 3.46Å; F192-Y239 HydrophobicContact CD2-CD1 3.46Å; F192-Y239 VanDerWaalsContact CD2-CD1 3.46Å; F192-Y239 HydrophobicContact CD2-CE1 4.24Å; F192-Y239 HydrophobicContact CD2-CG 4.08Å; F192-Y239 HydrophobicContact CE2-CD1 4.04Å; F192-Y239 HydrophobicContact CE2-CG 4.21Å; F192-Y239 AromaticContact CG-CD1 3.59Å; F192-Y239 HydrophobicContact CG-CD1 3.59Å; F192-Y239 HydrophobicContact CG-CE1 4.34Å; F192-Y239 HydrophobicContact CG-CG 4.47Å; Y239-I269 HydrophobicContact CD2-CB 3.74Å; Y239-I269 HydrophobicContact CD2-CG2 3.5Å; Y239-I269 VanDerWaalsContact CD2-CG2 3.5Å; Y239-I269 WeakPolarHBondContact CD2-O 3.35Å; Y239-I269 HydrophobicContact CE2-CG2 3.9Å; Y239-I269 HydrophobicContact CG-CB 4.27Å; Y239-I269 HydrophobicContact CG-CG2 4.27Å; Y239-V271 HydrophobicContact CE2-CB 4.11Å; Y239-V271 HydrophobicContact CE2-CG2 4.24Å; Y239-T296 HydrophobicContact CE2-CG2 4.13Å; Y239-T296 VanDerWaalsContact OH-CG2 3.31Å; Y239-T296 WeakPolarHBondContact OH-CG2 3.48Å; Y239-T296 PolarHBondContact OH-OG1 2.77Å
240	H	98.9	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.4	176.5	78.5	93.3	0	0	0	110.6	V177 S242 G246 V249 F250 I269 V271 Q275	V177-H240 HydrophobicContact CB-CB 4.05Å; V177-H240 CarbonylContact O-C 3.59Å; V177-H240 VanDerWaalsContact O-CA 3.25Å; V177-H240 WeakPolarHBondContact O-CA 3.35Å; H240-S242 PolarHBondContact ND1-OG 3.16Å; H240-S242 VanDerWaalsContact ND1-OG 3.15Å; H240-G246 VanDerWaalsContact ND1-CA 3.32Å; H240-G246 WeakPolarHBondContact ND1-CA 3.29Å; H240-V249 HydrophobicContact CB-CG2 4.33Å; H240-F250 AromaticContact NE2-CE2 3.38Å; H240-F250 WeakPolarHBondContact NE2-CE2 3.38Å; H240-I269 PolarHBondContact CD2-O 2.91Å; H240-V271 VanDerWaalsContact CE1-CG1 3.49Å; H240-V271 WeakPolarHBondContact CE1-CG1 3.45Å; H240-V271 WeakPolarHBondContact O-CB 3.04Å; H240-V271 VanDerWaalsContact O-CG1 3.23Å; H240-V271 WeakPolarHBondContact O-CG1 3.28Å; H240-Q275 PolarHBondContact CE1-OE1 2.96Å; H240-Q275 PolarHBondContact NE2-OE1 3.19Å
241	A	98.7	Very high	98.5	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	65.5	172.4	0	0	0	0	0	107.7	F176 V177 G179 I185 F188 V271	F176-A241 HydrophobicContact CE2-CB 3.96Å; F176-A241 HydrophobicContact CZ-CB 3.8Å; V177-A241 PolarHBondContact O-N 2.99Å; G179-A241 PolarHBondContact N-O 3.29Å; I185-A241 HydrophobicContact CD1-CB 4.23Å; I185-A241 WeakPolarHBondContact CD1-O 3.35Å; I185-A241 HydrophobicContact CG2-CB 4.26Å; F188-A241 HydrophobicContact CB-CB 3.75Å; F188-A241 HydrophobicContact CD1-CB 4.28Å; F188-A241 HydrophobicContact CD2-CB 3.84Å; F188-A241 HydrophobicContact CE2-CB 4.48Å; F188-A241 HydrophobicContact CG-CB 3.72Å; A241-V271 HydrophobicContact CB-CG2 4.39Å
242	S	98.3	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.114	C	C	.	.			trans	-141.1	15.7	-161.8	60.4	0	0	0	0	114.9	H240 G244 T245 G246	H240-S242 PolarHBondContact ND1-OG 3.16Å; H240-S242 VanDerWaalsContact ND1-OG 3.15Å; S242-G244 PolarHBondContact O-N 3.33Å; S242-T245 VanDerWaalsContact O-CB 3.22Å; S242-T245 WeakPolarHBondContact O-CB 3.31Å; S242-T245 PolarHBondContact O-N 3.48Å; S242-T245 VanDerWaalsContact O-N 3.12Å; S242-G246 WeakPolarHBondContact OG-CA 3.37Å; S242-G246 PolarHBondContact OG-N 2.87Å
243	G	95.9	Very high	98.5	Very high	6 Å²	6	11.9 Å²	11.9	6%	0.062	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	52.6	-131.4	175.5	0	0	0	0	0	112.9	T245 G246	G243-T245 VanDerWaalsContact C-N 3.28Å; G243-T245 PolarHBondContact O-N 3.46Å; G243-G246 WeakPolarHBondContact O-CA 3.22Å; G243-G246 PolarHBondContact O-N 3.14Å
244	G	95.7	Very high	98.5	Very high	8 Å²	8	12.6 Å²	12.6	8%	0.082	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-58.7	-33.5	178.7	0	0	0	0	0	114.1	F217 S242 G246 Q247	F217-G244 CarbonylContact O-C 3.54Å; F217-G244 VanDerWaalsContact O-CA 3.3Å; F217-G244 WeakPolarHBondContact O-CA 3.4Å; F217-G244 PolarHBondContact O-N 3.23Å; S242-G244 PolarHBondContact O-N 3.33Å; G244-G246 PolarHBondContact O-N 2.78Å; G244-Q247 WeakPolarHBondContact O-CB 3.3Å; G244-Q247 PolarHBondContact O-N 2.84Å; G244-Q247 VanDerWaalsContact O-N 3.11Å
245	T	98.2	Very high	98.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-55.4	-33.4	172	-66.2	0	0	0	0	112	A214 S216 F217 G218 D219 S242 G243 Q247 G248	A214-T245 HydrophobicContact CB-CG2 3.63Å; S216-T245 WeakPolarHBondContact O-CB 3.39Å; S216-T245 PolarHBondContact O-OG1 3.24Å; F217-T245 VanDerWaalsContact C-OG1 3.23Å; F217-T245 PolarHBondContact O-N 3.49Å; G218-T245 PolarHBondContact N-OG1 3.15Å; D219-T245 PolarHBondContact N-OG1 3.35Å; D219-T245 WeakPolarHBondContact O-CG2 3.48Å; S242-T245 VanDerWaalsContact O-CB 3.22Å; S242-T245 WeakPolarHBondContact O-CB 3.31Å; S242-T245 PolarHBondContact O-N 3.48Å; S242-T245 VanDerWaalsContact O-N 3.12Å; G243-T245 VanDerWaalsContact C-N 3.28Å; G243-T245 PolarHBondContact O-N 3.46Å; T245-Q247 PolarHBondContact O-N 2.71Å; T245-G248 PolarHBondContact O-N 2.97Å
246	G	98.5	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-28.7	178	0	0	0	0	0	114.5	H240 S242 G243 G244 G248 V249 F250	H240-G246 VanDerWaalsContact ND1-CA 3.32Å; H240-G246 WeakPolarHBondContact ND1-CA 3.29Å; S242-G246 WeakPolarHBondContact OG-CA 3.37Å; S242-G246 PolarHBondContact OG-N 2.87Å; G243-G246 WeakPolarHBondContact O-CA 3.22Å; G243-G246 PolarHBondContact O-N 3.14Å; G244-G246 PolarHBondContact O-N 2.78Å; G246-G248 PolarHBondContact O-N 2.96Å; G246-G248 VanDerWaalsContact O-N 3.16Å; G246-V249 WeakPolarHBondContact O-CA 3.32Å; G246-V249 VanDerWaalsContact O-CB 3.3Å; G246-V249 WeakPolarHBondContact O-CB 3.33Å; G246-V249 PolarHBondContact O-N 3.12Å; G246-F250 PolarHBondContact O-N 3.31Å; G246-F250 VanDerWaalsContact O-N 3.16Å
247	Q	98.4	Very high	98.4	Very high	34 Å²	34	14.7 Å²	14.7	16%	0.159	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-25.1	175.2	-65.1	-61.1	-49.8	0	0	112.3	G244 T245 S251 D278	G244-Q247 WeakPolarHBondContact O-CB 3.3Å; G244-Q247 PolarHBondContact O-N 2.84Å; G244-Q247 VanDerWaalsContact O-N 3.11Å; T245-Q247 PolarHBondContact O-N 2.71Å; Q247-S251 VanDerWaalsContact O-CB 3.31Å; Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 2.9Å; Q247-S251 PolarHBondContact O-OG 3.03Å; Q247-D278 PolarHBondContact NE2-OD2 3.29Å
248	G	98.8	Very high	98.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-42	169.6	0	0	0	0	0	113.5	P220 K224 T245 G246 S251 E252	P220-G248 WeakPolarHBondContact O-CA 3.32Å; K224-G248 WeakPolarHBondContact CA-O 3.4Å; K224-G248 WeakPolarHBondContact CB-O 3.36Å; T245-G248 PolarHBondContact O-N 2.97Å; G246-G248 PolarHBondContact O-N 2.96Å; G246-G248 VanDerWaalsContact O-N 3.16Å; G248-S251 PolarHBondContact O-N 3.46Å; G248-E252 PolarHBondContact O-N 2.81Å
249	V	98.9	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-48.9	177	-177.2	0	0	0	0	109.7	V177 A227 I238 H240 G246 S251 E252 A253 V268	V177-V249 HydrophobicContact CB-CG2 4.4Å; V177-V249 HydrophobicContact CG1-CG2 4.33Å; V177-V249 HydrophobicContact CG2-CG2 4.38Å; A227-V249 HydrophobicContact CB-CB 4.27Å; A227-V249 HydrophobicContact CB-CG1 4Å; A227-V249 HydrophobicContact CB-CG2 4.31Å; I238-V249 HydrophobicContact CB-CG1 4.07Å; I238-V249 HydrophobicContact CD1-CG1 4.29Å; I238-V249 HydrophobicContact CG2-CG1 3.72Å; H240-V249 HydrophobicContact CB-CG2 4.33Å; G246-V249 WeakPolarHBondContact O-CA 3.32Å; G246-V249 VanDerWaalsContact O-CB 3.3Å; G246-V249 WeakPolarHBondContact O-CB 3.33Å; G246-V249 PolarHBondContact O-N 3.12Å; V249-S251 VanDerWaalsContact C-N 3.32Å; V249-S251 PolarHBondContact O-N 3.48Å; V249-E252 PolarHBondContact O-N 2.89Å; V249-A253 PolarHBondContact O-N 3.48Å; V249-V268 HydrophobicContact CG1-CG1 4.1Å; V249-V268 HydrophobicContact CG1-CG2 4Å
250	F	98.9	Very high	98.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-43.6	173.6	-82.8	-82.1	0	0	0	112.4	H240 G246 E252 A253 K254 V268 Q275 D278 F291 C292	H240-F250 AromaticContact NE2-CE2 3.38Å; H240-F250 WeakPolarHBondContact NE2-CE2 3.38Å; G246-F250 PolarHBondContact O-N 3.31Å; G246-F250 VanDerWaalsContact O-N 3.16Å; F250-E252 PolarHBondContact O-N 2.9Å; F250-A253 PolarHBondContact O-N 2.89Å; F250-K254 VanDerWaalsContact O-CB 3.31Å; F250-K254 WeakPolarHBondContact O-CB 3.31Å; F250-K254 PolarHBondContact O-N 3.48Å; F250-V268 HydrophobicContact CD1-CB 4.24Å; F250-V268 HydrophobicContact CD1-CG1 4.25Å; F250-V268 HydrophobicContact CD1-CG2 4.49Å; F250-V268 HydrophobicContact CD2-CG1 4.05Å; F250-V268 HydrophobicContact CE1-CB 3.93Å; F250-V268 HydrophobicContact CE1-CG1 3.87Å; F250-V268 HydrophobicContact CE2-CG1 3.69Å; F250-V268 HydrophobicContact CG-CG1 4.31Å; F250-V268 HydrophobicContact CZ-CB 4.13Å; F250-V268 HydrophobicContact CZ-CG1 3.57Å; F250-Q275 HydrophobicContact CE1-CB 4.5Å; F250-Q275 HydrophobicContact CE2-CB 4.03Å; F250-Q275 HydrophobicContact CZ-CB 3.65Å; F250-D278 HydrophobicContact CB-CB 4.4Å; F250-D278 HydrophobicContact CD1-CB 3.49Å; F250-D278 VanDerWaalsContact CD1-CB 3.49Å; F250-D278 HydrophobicContact CD2-CB 4.16Å; F250-D278 HydrophobicContact CE1-CB 3.7Å; F250-D278 HydrophobicContact CE2-CB 4.3Å; F250-D278 HydrophobicContact CG-CB 3.77Å; F250-D278 HydrophobicContact CZ-CB 4.11Å; F250-F291 HydrophobicContact CB-CE2 4.45Å; F250-F291 AromaticContact CD1-CE2 3.54Å; F250-F291 HydrophobicContact CD1-CE2 3.54Å; F250-F291 AromaticContact CD1-CZ 3.98Å; F250-F291 HydrophobicContact CD1-CZ 3.98Å; F250-F291 HydrophobicContact CE1-CE2 4.23Å; F250-F291 HydrophobicContact CG-CE2 4.39Å; F250-F291 VanDerWaalsContact O-CZ 3.24Å; F250-F291 WeakPolarHBondContact O-CZ 3.39Å; F250-C292 HydrophobicContact CE1-CB 3.98Å
251	S	98.8	Very high	98.1	Very high	60 Å²	60	30.8 Å²	30.8	42%	0.42	16%	0.161	S	C	.	.	H	α-helix	trans	-63.2	-39.8	-180	-66.5	0	0	0	0	113	Q247 G248 V249 A255	Q247-S251 VanDerWaalsContact O-CB 3.31Å; Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 2.9Å; Q247-S251 PolarHBondContact O-OG 3.03Å; G248-S251 PolarHBondContact O-N 3.46Å; V249-S251 VanDerWaalsContact C-N 3.32Å; V249-S251 PolarHBondContact O-N 3.48Å; S251-A255 WeakPolarHBondContact O-CB 3.14Å; S251-A255 PolarHBondContact O-N 3.19Å; S251-A255 VanDerWaalsContact O-N 3.15Å
252	E	98.9	Very high	97.8	Very high	24 Å²	24	35.8 Å²	35.8	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-48.3	175.5	-179.2	61	-169.7	0	0	111.5	K224 A227 A228 Y231 G248 V249 F250 K254 A255 R256	K224-E252 WeakPolarHBondContact CE-OE2 3.49Å; K224-E252 HydrophobicContact CG-CB 3.87Å; A227-E252 HydrophobicContact CB-CB 3.94Å; A227-E252 HydrophobicContact CB-CG 4.11Å; A228-E252 HydrophobicContact CB-CG 4.02Å; A228-E252 WeakPolarHBondContact CB-OE1 3.41Å; Y231-E252 HydrophobicContact CD2-CG 3.88Å; Y231-E252 HydrophobicContact CE2-CG 4.17Å; G248-E252 PolarHBondContact O-N 2.81Å; V249-E252 PolarHBondContact O-N 2.89Å; F250-E252 PolarHBondContact O-N 2.9Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.95Å; E252-A255 PolarHBondContact O-N 3.39Å; E252-A255 VanDerWaalsContact O-N 3.16Å; E252-R256 PolarHBondContact O-N 3.34Å; E252-R256 IonicContact OE1-CZ 2.92Å; E252-R256 VanDerWaalsContact OE1-CZ 3.29Å; E252-R256 IonicContact OE1-NE 2.75Å; E252-R256 PolarHBondContact OE1-NE 3.44Å; E252-R256 IonicContact OE1-NH2 2.78Å; E252-R256 PolarHBondContact OE1-NH2 2.88Å
253	A	98.9	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-44.6	179	0	0	0	0	0	111.3	Y231 V249 F250 A255 R256 N257 V266 V268 F291	Y231-A253 HydrophobicContact CE2-CB 3.99Å; Y231-A253 WeakPolarHBondContact OH-CB 3.34Å; V249-A253 PolarHBondContact O-N 3.48Å; F250-A253 PolarHBondContact O-N 2.89Å; A253-A255 PolarHBondContact O-N 3.06Å; A253-R256 PolarHBondContact O-N 2.96Å; A253-N257 WeakPolarHBondContact O-CB 3.49Å; A253-N257 VanDerWaalsContact O-CG 3.26Å; A253-N257 PolarHBondContact O-N 2.58Å; A253-N257 PolarHBondContact O-ND2 2.93Å; A253-V266 HydrophobicContact CB-CG2 4.13Å; A253-V268 HydrophobicContact CB-CG2 3.56Å; A253-F291 HydrophobicContact CB-CD2 3.62Å; A253-F291 HydrophobicContact CB-CE2 3.43Å; A253-F291 VanDerWaalsContact CB-CE2 3.43Å; A253-F291 HydrophobicContact CB-CG 4.44Å; A253-F291 HydrophobicContact CB-CZ 4.12Å
254	K	98.8	Very high	97.6	Very high	68 Å²	68	43.9 Å²	43.9	30%	0.296	24%	0.235	S	C	.	.	H	α-helix	trans	-56.4	-50.9	173.9	-174.6	170.4	173.6	58.8	0	111.9	F250 E252 R256 N257 E258 K280 Y281 F291	F250-K254 VanDerWaalsContact O-CB 3.31Å; F250-K254 WeakPolarHBondContact O-CB 3.31Å; F250-K254 PolarHBondContact O-N 3.48Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.95Å; K254-R256 PolarHBondContact O-N 3.26Å; K254-N257 PolarHBondContact O-N 3.41Å; K254-E258 WeakPolarHBondContact CE-OE1 3.23Å; K254-E258 HydrophobicContact CG-CG 4.34Å; K254-E258 IonicContact NZ-OE1 2.64Å; K254-E258 PolarHBondContact NZ-OE1 3.29Å; K254-E258 VanDerWaalsContact O-CG 3.29Å; K254-E258 WeakPolarHBondContact O-CG 3.38Å; K254-E258 PolarHBondContact O-N 2.91Å; K254-K280 PolarHBondContact NZ-O 3.11Å; K254-Y281 VanDerWaalsContact NZ-CB 3.31Å; K254-F291 VanDerWaalsContact CA-CE1 3.48Å; K254-F291 HydrophobicContact CB-CE1 3.54Å; K254-F291 HydrophobicContact CB-CZ 3.65Å; K254-F291 HydrophobicContact CG-CE1 4.06Å
255	A	98.6	Very high	97.7	Very high	33 Å²	33	44 Å²	44	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-29.9	-177.8	0	0	0	0	0	113.2	S251 E252 A253	S251-A255 WeakPolarHBondContact O-CB 3.14Å; S251-A255 PolarHBondContact O-N 3.19Å; S251-A255 VanDerWaalsContact O-N 3.15Å; E252-A255 PolarHBondContact O-N 3.39Å; E252-A255 VanDerWaalsContact O-N 3.16Å; A253-A255 PolarHBondContact O-N 3.06Å
256	R	98.5	Very high	97.7	Very high	66 Å²	66	44.9 Å²	44.9	25%	0.249	24%	0.239	C	C	.	.	H	α-helix	trans	-75.3	-51.5	172.6	-69.3	-177.2	-179.5	-112.5	-7.5	111.5	A228 Y231 N232 E252 A253 K254 E258 K259 A260 V266	A228-R256 PolarHBondContact O-NH2 3Å; Y231-R256 VanDerWaalsContact CB-CZ 3.42Å; N232-R256 PolarHBondContact OD1-NH1 3.38Å; N232-R256 PolarHBondContact OD1-NH2 3.49Å; E252-R256 PolarHBondContact O-N 3.34Å; E252-R256 IonicContact OE1-CZ 2.92Å; E252-R256 VanDerWaalsContact OE1-CZ 3.29Å; E252-R256 IonicContact OE1-NE 2.75Å; E252-R256 PolarHBondContact OE1-NE 3.44Å; E252-R256 IonicContact OE1-NH2 2.78Å; E252-R256 PolarHBondContact OE1-NH2 2.88Å; A253-R256 PolarHBondContact O-N 2.96Å; K254-R256 PolarHBondContact O-N 3.26Å; R256-E258 VanDerWaalsContact C-N 3.3Å; R256-E258 PolarHBondContact O-N 2.94Å; R256-K259 CarbonylContact O-C 3.52Å; R256-K259 PolarHBondContact O-N 3.48Å; R256-A260 WeakPolarHBondContact O-CB 3.44Å; R256-A260 PolarHBondContact O-N 2.87Å; R256-V266 HydrophobicContact CB-CG2 4.31Å
257	N	98.7	Very high	97.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-30.9	-174.4	-73.3	-30.2	0	0	0	113.4	A253 K254 K259 A260 K265 V266 Y281 F291	A253-N257 WeakPolarHBondContact O-CB 3.49Å; A253-N257 VanDerWaalsContact O-CG 3.26Å; A253-N257 PolarHBondContact O-N 2.58Å; A253-N257 PolarHBondContact O-ND2 2.93Å; K254-N257 PolarHBondContact O-N 3.41Å; N257-K259 PolarHBondContact O-N 3.37Å; N257-K259 VanDerWaalsContact O-N 3.14Å; N257-A260 PolarHBondContact O-N 3.05Å; N257-K265 WeakPolarHBondContact OD1-CA 3.41Å; N257-V266 PolarHBondContact ND2-O 3.08Å; N257-V266 PolarHBondContact OD1-N 2.72Å; N257-V266 PolarHBondContact OD1-O 3.34Å; N257-Y281 VanDerWaalsContact C-CE2 3.45Å; N257-Y281 HydrophobicContact CB-CD2 3.99Å; N257-Y281 HydrophobicContact CB-CE1 4.27Å; N257-Y281 HydrophobicContact CB-CE2 3.54Å; N257-Y281 VanDerWaalsContact O-CE2 3.28Å; N257-Y281 WeakPolarHBondContact O-CE2 3.41Å; N257-F291 HydrophobicContact CB-CD1 4.49Å; N257-F291 WeakPolarHBondContact ND2-CB 3.38Å; N257-F291 VanDerWaalsContact ND2-CG 3.26Å; N257-F291 WeakPolarHBondContact ND2-CG 3.32Å
258	E	98.3	Very high	97.8	Very high	75 Å²	75	44.9 Å²	44.9	35%	0.35	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	173.1	-72.7	177.3	166.7	0	0	113.1	K254 R256 Y281 K282 K284	K254-E258 WeakPolarHBondContact CE-OE1 3.23Å; K254-E258 HydrophobicContact CG-CG 4.34Å; K254-E258 IonicContact NZ-OE1 2.64Å; K254-E258 PolarHBondContact NZ-OE1 3.29Å; K254-E258 VanDerWaalsContact O-CG 3.29Å; K254-E258 WeakPolarHBondContact O-CG 3.38Å; K254-E258 PolarHBondContact O-N 2.91Å; R256-E258 VanDerWaalsContact C-N 3.3Å; R256-E258 PolarHBondContact O-N 2.94Å; E258-Y281 HydrophobicContact CG-CD2 3.78Å; E258-Y281 HydrophobicContact CG-CG 4.45Å; E258-K282 WeakPolarHBondContact CG-O 3.42Å; E258-K284 WeakPolarHBondContact O-CA 3.47Å; E258-K284 PolarHBondContact O-N 3.48Å
259	K	97.3	Very high	97.8	Very high	159 Å²	159	44.9 Å²	44.9	69%	0.691	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-17.2	-178.4	-59.7	171.3	-171.7	165.9	0	113.8	R256 N257	R256-K259 CarbonylContact O-C 3.52Å; R256-K259 PolarHBondContact O-N 3.48Å; N257-K259 PolarHBondContact O-N 3.37Å; N257-K259 VanDerWaalsContact O-N 3.14Å
260	A	96.1	Very high	97.8	Very high	24 Å²	24	44.9 Å²	44.9	20%	0.198	24%	0.237	C	C	.	.	S	Bend	trans	-79.2	152.8	-179.3	0	0	0	0	0	111.2	R256 N257 D264	R256-A260 WeakPolarHBondContact O-CB 3.44Å; R256-A260 PolarHBondContact O-N 2.87Å; N257-A260 PolarHBondContact O-N 3.05Å; A260-D264 HydrophobicContact CB-CB 4.32Å
261	D	95.7	Very high	97.8	Very high	82 Å²	82	44.7 Å²	44.7	44%	0.439	24%	0.236	S	C	.	.			trans	-73.3	152.6	163.2	-61.4	-29.8	0	0	0	108.4	A263 D264 K265 K284	D261-A263 PolarHBondContact O-N 2.93Å; D261-D264 PolarHBondContact O-N 2.84Å; D261-K265 PolarHBondContact O-N 3.36Å; D261-K284 IonicContact OD1-NZ 3.22Å; D261-K284 PolarHBondContact OD1-NZ 2.93Å
262	E	93.4	Very high	97.7	Very high	106 Å²	106	42.3 Å²	42.3	50%	0.495	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-56.6	-29	-175.5	-178	64.3	-160.5	0	0	113.1	D264 K265	E262-D264 PolarHBondContact O-N 3.17Å; E262-K265 VanDerWaalsContact CD-NZ 3.34Å; E262-K265 WeakPolarHBondContact O-CB 3.44Å; E262-K265 PolarHBondContact O-N 2.94Å; E262-K265 WeakPolarHBondContact OE1-CE 3.3Å; E262-K265 IonicContact OE1-NZ 2.68Å; E262-K265 PolarHBondContact OE1-NZ 3.1Å; E262-K265 WeakPolarHBondContact OE2-CE 3.47Å; E262-K265 IonicContact OE2-NZ 2.68Å; E262-K265 PolarHBondContact OE2-NZ 3.45Å
263	A	94.1	Very high	97.7	Very high	69 Å²	69	42.1 Å²	42.1	57%	0.57	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-62.7	-31.6	176.3	0	0	0	0	0	112.9	K170 D261	K170-A263 PolarHBondContact NZ-O 2.92Å; D261-A263 PolarHBondContact O-N 2.93Å
264	D	96	Very high	97.7	Very high	107 Å²	107	46 Å²	46	57%	0.572	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-101.6	11.4	-175.6	-55.5	-41.5	0	0	0	112.6	A260 D261 E262 V266	A260-D264 HydrophobicContact CB-CB 4.32Å; D261-D264 PolarHBondContact O-N 2.84Å; E262-D264 PolarHBondContact O-N 3.17Å; D264-V266 PolarHBondContact O-N 3.46Å
265	K	97.4	Very high	97.7	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.052	23%	0.228	C	C	.	.			trans	-56.4	130	176.6	175.2	-172.5	-79.2	176.8	0	110.3	N257 D261 E262 W267 Y281 S289 N290	N257-K265 WeakPolarHBondContact OD1-CA 3.41Å; D261-K265 PolarHBondContact O-N 3.36Å; E262-K265 VanDerWaalsContact CD-NZ 3.34Å; E262-K265 WeakPolarHBondContact O-CB 3.44Å; E262-K265 PolarHBondContact O-N 2.94Å; E262-K265 WeakPolarHBondContact OE1-CE 3.3Å; E262-K265 IonicContact OE1-NZ 2.68Å; E262-K265 PolarHBondContact OE1-NZ 3.1Å; E262-K265 WeakPolarHBondContact OE2-CE 3.47Å; E262-K265 IonicContact OE2-NZ 2.68Å; E262-K265 PolarHBondContact OE2-NZ 3.45Å; K265-W267 HydrophobicContact CD-CD2 4.08Å; K265-W267 HydrophobicContact CD-CE3 4.35Å; K265-W267 HydrophobicContact CD-CH2 3.63Å; K265-W267 HydrophobicContact CD-CZ2 3.28Å; K265-W267 HydrophobicContact CD-CZ3 4.15Å; K265-W267 HydrophobicContact CG-CD2 4.49Å; K265-W267 HydrophobicContact CG-CZ2 4.3Å; K265-Y281 WeakPolarHBondContact CE-OH 3.5Å; K265-S289 PolarHBondContact NZ-OG 2.94Å; K265-N290 PolarHBondContact NZ-O 2.66Å
266	V	98.9	Very high	97.7	Very high	18 Å²	18	44.1 Å²	44.1	11%	0.109	23%	0.228	C	C	.	.			trans	-95.8	150.8	168	-61.2	0	0	0	0	110.4	Y231 D236 A253 R256 N257 D264 F291	Y231-V266 HydrophobicContact CD1-CB 3.87Å; Y231-V266 HydrophobicContact CD1-CG1 3.74Å; Y231-V266 HydrophobicContact CD1-CG2 4.21Å; Y231-V266 HydrophobicContact CD2-CG2 4.43Å; Y231-V266 HydrophobicContact CE1-CB 3.52Å; Y231-V266 HydrophobicContact CE1-CG1 3.94Å; Y231-V266 HydrophobicContact CE1-CG2 3.85Å; Y231-V266 HydrophobicContact CE2-CG2 4.06Å; Y231-V266 HydrophobicContact CG-CG1 4.33Å; D236-V266 CarbonylContact O-C 3.53Å; D236-V266 VanDerWaalsContact O-CA 3.29Å; D236-V266 WeakPolarHBondContact O-CA 3.46Å; A253-V266 HydrophobicContact CB-CG2 4.13Å; R256-V266 HydrophobicContact CB-CG2 4.31Å; N257-V266 PolarHBondContact ND2-O 3.08Å; N257-V266 PolarHBondContact OD1-N 2.72Å; N257-V266 PolarHBondContact OD1-O 3.34Å; D264-V266 PolarHBondContact O-N 3.46Å; V266-F291 WeakPolarHBondContact O-CB 3.32Å
267	W	98.9	Very high	97.7	Very high	34 Å²	34	46 Å²	46	13%	0.129	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	159.3	-176.4	-57.7	85.9	0	0	0	112.5	Y231 D236 I237 I238 K265 N290 F291 L293 Y337	Y231-W267 PolarHBondContact OH-O 3.08Å; Y231-W267 VanDerWaalsContact OH-O 3.07Å; D236-W267 PolarHBondContact O-N 2.91Å; I237-W267 WeakPolarHBondContact CA-O 3.24Å; I237-W267 HydrophobicContact CB-CB 4.38Å; I237-W267 HydrophobicContact CG1-CB 4.04Å; I237-W267 HydrophobicContact CG1-CG 4.41Å; I237-W267 HydrophobicContact CG2-CB 4.15Å; I238-W267 PolarHBondContact N-O 2.78Å; K265-W267 HydrophobicContact CD-CD2 4.08Å; K265-W267 HydrophobicContact CD-CE3 4.35Å; K265-W267 HydrophobicContact CD-CH2 3.63Å; K265-W267 HydrophobicContact CD-CZ2 3.28Å; K265-W267 HydrophobicContact CD-CZ3 4.15Å; K265-W267 HydrophobicContact CG-CD2 4.49Å; K265-W267 HydrophobicContact CG-CZ2 4.3Å; W267-N290 WeakPolarHBondContact CZ3-O 3.35Å; W267-F291 CarbonylContact C-O 3.57Å; W267-F291 VanDerWaalsContact CA-O 3.31Å; W267-F291 WeakPolarHBondContact CA-O 3.4Å; W267-L293 HydrophobicContact CB-CB 4.1Å; W267-L293 HydrophobicContact CD2-CB 4.31Å; W267-L293 HydrophobicContact CD2-CD1 4.27Å; W267-L293 HydrophobicContact CE3-CB 3.88Å; W267-L293 HydrophobicContact CE3-CD1 4.07Å; W267-L293 HydrophobicContact CG-CB 4.43Å; W267-L293 HydrophobicContact CZ3-CD1 4.39Å; W267-Y337 HydrophobicContact CZ3-CG 4.36Å
268	V	99	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.2	169.8	-176.9	0	0	0	0	108.5	Y231 I238 V249 F250 A253 F291 C292 L293	Y231-V268 WeakPolarHBondContact OH-CG2 3.44Å; I238-V268 CarbonylContact O-C 3.56Å; I238-V268 VanDerWaalsContact O-CA 3.28Å; I238-V268 WeakPolarHBondContact O-CA 3.38Å; V249-V268 HydrophobicContact CG1-CG1 4.1Å; V249-V268 HydrophobicContact CG1-CG2 4Å; F250-V268 HydrophobicContact CD1-CB 4.24Å; F250-V268 HydrophobicContact CD1-CG1 4.25Å; F250-V268 HydrophobicContact CD1-CG2 4.49Å; F250-V268 HydrophobicContact CD2-CG1 4.05Å; F250-V268 HydrophobicContact CE1-CB 3.93Å; F250-V268 HydrophobicContact CE1-CG1 3.87Å; F250-V268 HydrophobicContact CE2-CG1 3.69Å; F250-V268 HydrophobicContact CG-CG1 4.31Å; F250-V268 HydrophobicContact CZ-CB 4.13Å; F250-V268 HydrophobicContact CZ-CG1 3.57Å; A253-V268 HydrophobicContact CB-CG2 3.56Å; V268-F291 HydrophobicContact CB-CD2 4.33Å; V268-F291 HydrophobicContact CB-CE2 4.4Å; V268-F291 HydrophobicContact CG2-CD2 3.93Å; V268-F291 HydrophobicContact CG2-CE2 3.88Å; V268-F291 PolarHBondContact N-O 2.94Å; V268-C292 CarbonylContact O-C 3.55Å; V268-C292 VanDerWaalsContact O-CA 3.32Å; V268-C292 WeakPolarHBondContact O-CA 3.37Å; V268-L293 PolarHBondContact O-N 2.83Å
269	I	99	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.8	166.2	-62	173.5	0	0	0	107.5	A161 A165 F192 I237 I238 Y239 H240 L293 T294	A161-I269 HydrophobicContact CB-CD1 4.34Å; A161-I269 HydrophobicContact CB-CG2 4.07Å; A165-I269 HydrophobicContact CB-CD1 3.91Å; F192-I269 HydrophobicContact CE2-CD1 4.35Å; I237-I269 HydrophobicContact CG2-CD1 3.97Å; I237-I269 HydrophobicContact CG2-CG1 4Å; I238-I269 PolarHBondContact O-N 3.33Å; Y239-I269 HydrophobicContact CD2-CB 3.74Å; Y239-I269 HydrophobicContact CD2-CG2 3.5Å; Y239-I269 VanDerWaalsContact CD2-CG2 3.5Å; Y239-I269 WeakPolarHBondContact CD2-O 3.35Å; Y239-I269 HydrophobicContact CE2-CG2 3.9Å; Y239-I269 HydrophobicContact CG-CB 4.27Å; Y239-I269 HydrophobicContact CG-CG2 4.27Å; H240-I269 PolarHBondContact CD2-O 2.91Å; I269-L293 HydrophobicContact CD1-CD2 4.28Å; I269-L293 HydrophobicContact CG1-CB 4.21Å; I269-L293 HydrophobicContact CG1-CD2 4.19Å; I269-T294 WeakPolarHBondContact CA-O 3.11Å; I269-T294 HydrophobicContact CD1-CG2 4.28Å; I269-T294 HydrophobicContact CG1-CG2 4Å; I269-T294 HydrophobicContact CG2-CG2 3.94Å
270	G	98.9	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	168.4	178.5	0	0	0	0	0	113.9	T294 S295 T296	G270-T294 PolarHBondContact N-O 3.36Å; G270-S295 CarbonylContact O-C 3.48Å; G270-S295 VanDerWaalsContact O-CA 3.31Å; G270-S295 WeakPolarHBondContact O-CA 3.42Å; G270-T296 PolarHBondContact O-N 2.92Å; G270-T296 PolarHBondContact O-OG1 3.49Å
271	V	98.8	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.			trans	-140.3	149.1	-174	71.8	0	0	0	0	113.6	S60 F188 Y239 H240 A241 S273 T296	S60-V271 PolarHBondContact OG-O 2.84Å; F188-V271 HydrophobicContact CD1-CG2 4.24Å; F188-V271 HydrophobicContact CE1-CG2 3.63Å; F188-V271 HydrophobicContact CZ-CG2 3.87Å; Y239-V271 HydrophobicContact CE2-CB 4.11Å; Y239-V271 HydrophobicContact CE2-CG2 4.24Å; H240-V271 VanDerWaalsContact CE1-CG1 3.49Å; H240-V271 WeakPolarHBondContact CE1-CG1 3.45Å; H240-V271 WeakPolarHBondContact O-CB 3.04Å; H240-V271 VanDerWaalsContact O-CG1 3.23Å; H240-V271 WeakPolarHBondContact O-CG1 3.28Å; A241-V271 HydrophobicContact CB-CG2 4.39Å; V271-S273 PolarHBondContact O-N 2.65Å; V271-T296 CarbonylContact C-O 3.48Å; V271-T296 WeakPolarHBondContact CA-OG1 3.3Å
272	D	98.3	Very high	97.9	Very high	11 Å²	11	42 Å²	42	6%	0.059	22%	0.216	C	C	.	.	S	Bend	trans	61.3	-36.8	-177.7	-58.1	-48.8	0	0	0	115.4	S60 F61 T296 K298	S60-D272 PolarHBondContact OG-OD2 3.05Å; F61-D272 HydrophobicContact CB-CB 4.42Å; D272-T296 PolarHBondContact N-O 2.89Å; D272-K298 HydrophobicContact CB-CB 4.11Å; D272-K298 PolarHBondContact O-N 2.97Å; D272-K298 WeakPolarHBondContact OD1-CB 3.48Å; D272-K298 WeakPolarHBondContact OD1-CD 3.39Å; D272-K298 WeakPolarHBondContact OD1-CE 3.34Å; D272-K298 IonicContact OD1-NZ 2.83Å; D272-K298 PolarHBondContact OD1-NZ 3.01Å
273	S	98.4	Very high	98	Very high	20 Å²	20	37.8 Å²	37.8	14%	0.14	20%	0.199	C	C	.	.	S	Bend	trans	-131.3	163.3	179.4	-69.1	0	0	0	0	111.2	S60 V271 Q275 S295	S60-S273 PolarHBondContact O-OG 3.4Å; V271-S273 PolarHBondContact O-N 2.65Å; S273-Q275 PolarHBondContact O-N 2.97Å; S273-S295 VanDerWaalsContact O-CB 3.29Å; S273-S295 WeakPolarHBondContact O-CB 3.49Å
274	D	98.4	Very high	98	Very high	81 Å²	81	40.2 Å²	40.2	43%	0.433	20%	0.196	S	C	.	.			trans	-71.2	101.4	171.6	-177.2	7.4	0	0	0	110.8	Q276 L297 T334	D274-Q276 VanDerWaalsContact C-N 3.28Å; D274-Q276 PolarHBondContact O-N 2.95Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.3Å; D274-Q276 PolarHBondContact OD1-N 2.88Å; D274-L297 HydrophobicContact CB-CD2 4.23Å; D274-T334 HydrophobicContact CB-CG2 4.14Å
275	Q	98.6	Very high	97.9	Very high	3 Å²	3	41 Å²	41	1%	0.014	20%	0.2	C	C	.	.			trans	-92	19.1	-180	-64.5	-176.7	-61	0	0	112.4	R59 H240 F250 S273 N277 D278 S295	R59-Q275 WeakPolarHBondContact O-CG 3.41Å; R59-Q275 PolarHBondContact O-NE2 3.37Å; H240-Q275 PolarHBondContact CE1-OE1 2.96Å; H240-Q275 PolarHBondContact NE2-OE1 3.19Å; F250-Q275 HydrophobicContact CE1-CB 4.5Å; F250-Q275 HydrophobicContact CE2-CB 4.03Å; F250-Q275 HydrophobicContact CZ-CB 3.65Å; S273-Q275 PolarHBondContact O-N 2.97Å; Q275-N277 PolarHBondContact O-N 3.14Å; Q275-N277 VanDerWaalsContact O-N 3.1Å; Q275-D278 HydrophobicContact CB-CB 4.47Å; Q275-D278 WeakPolarHBondContact O-CB 3.16Å; Q275-D278 PolarHBondContact O-N 2.87Å; Q275-S295 PolarHBondContact N-OG 2.81Å
276	Q	98.7	Very high	97.8	Very high	59 Å²	59	42.9 Å²	42.9	28%	0.276	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.8	177	-173.9	175	-101.1	0	0	112.9	D274 D278 G279 N290 Y337	D274-Q276 VanDerWaalsContact C-N 3.28Å; D274-Q276 PolarHBondContact O-N 2.95Å; D274-Q276 WeakPolarHBondContact OD1-CB 3.3Å; D274-Q276 PolarHBondContact OD1-N 2.88Å; Q276-D278 VanDerWaalsContact C-N 3.3Å; Q276-D278 PolarHBondContact O-N 3.1Å; Q276-G279 PolarHBondContact O-N 3.38Å; Q276-N290 PolarHBondContact O-ND2 3.01Å; Q276-Y337 HydrophobicContact CG-CE2 3.82Å
277	N	98.1	Very high	97.7	Very high	104 Å²	104	48.8 Å²	48.8	56%	0.556	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.3	176.6	-75.8	-37.9	0	0	0	113.3	Q275 G279 K280	Q275-N277 PolarHBondContact O-N 3.14Å; Q275-N277 VanDerWaalsContact O-N 3.1Å; N277-G279 VanDerWaalsContact C-N 3.27Å; N277-G279 PolarHBondContact O-N 3.19Å; N277-K280 PolarHBondContact O-N 3.36Å; N277-K280 VanDerWaalsContact OD1-CE 3.28Å; N277-K280 WeakPolarHBondContact OD1-CE 3.46Å; N277-K280 PolarHBondContact OD1-NZ 3.13Å
278	D	98.2	Very high	97.6	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-24.5	179.9	-63.7	-25.7	0	0	0	111.9	R59 Q247 F250 Q275 Q276 K280	R59-D278 WeakPolarHBondContact CD-OD1 3.41Å; R59-D278 IonicContact CZ-OD1 2.8Å; R59-D278 IonicContact NE-OD1 3.85Å; R59-D278 IonicContact NH1-OD1 2.76Å; R59-D278 PolarHBondContact NH1-OD1 3Å; Q247-D278 PolarHBondContact NE2-OD2 3.29Å; F250-D278 HydrophobicContact CB-CB 4.4Å; F250-D278 HydrophobicContact CD1-CB 3.49Å; F250-D278 VanDerWaalsContact CD1-CB 3.49Å; F250-D278 HydrophobicContact CD2-CB 4.16Å; F250-D278 HydrophobicContact CE1-CB 3.7Å; F250-D278 HydrophobicContact CE2-CB 4.3Å; F250-D278 HydrophobicContact CG-CB 3.77Å; F250-D278 HydrophobicContact CZ-CB 4.11Å; Q275-D278 HydrophobicContact CB-CB 4.47Å; Q275-D278 WeakPolarHBondContact O-CB 3.16Å; Q275-D278 PolarHBondContact O-N 2.87Å; Q276-D278 VanDerWaalsContact C-N 3.3Å; Q276-D278 PolarHBondContact O-N 3.1Å; D278-K280 VanDerWaalsContact C-N 3.32Å; D278-K280 PolarHBondContact O-N 2.83Å
279	G	98.5	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.3	175.8	0	0	0	0	0	115.2	Q276 N277 Y281 N290 F291	Q276-G279 PolarHBondContact O-N 3.38Å; N277-G279 VanDerWaalsContact C-N 3.27Å; N277-G279 PolarHBondContact O-N 3.19Å; G279-Y281 PolarHBondContact O-N 2.71Å; G279-N290 VanDerWaalsContact CA-OD1 3.22Å; G279-N290 WeakPolarHBondContact CA-OD1 3.25Å; G279-N290 VanDerWaalsContact O-CA 3.26Å; G279-N290 WeakPolarHBondContact O-CA 3.23Å; G279-N290 PolarHBondContact O-OD1 3.29Å; G279-F291 WeakPolarHBondContact O-CD1 3.33Å; G279-F291 WeakPolarHBondContact O-CE1 3.47Å; G279-F291 PolarHBondContact O-N 2.77Å
280	K	98.6	Very high	97.6	Very high	112 Å²	112	55 Å²	55	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.8	-176.7	-72.2	176.2	173.4	169.2	0	112.3	K254 N277 D278	K254-K280 PolarHBondContact NZ-O 3.11Å; N277-K280 PolarHBondContact O-N 3.36Å; N277-K280 VanDerWaalsContact OD1-CE 3.28Å; N277-K280 WeakPolarHBondContact OD1-CE 3.46Å; N277-K280 PolarHBondContact OD1-NZ 3.13Å; D278-K280 VanDerWaalsContact C-N 3.32Å; D278-K280 PolarHBondContact O-N 2.83Å
281	Y	98.1	Very high	97.6	Very high	7 Å²	7	55 Å²	55	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	166.9	177	78.7	-69	0	0	0	113.1	K254 N257 E258 K265 G279 S289 F291	K254-Y281 VanDerWaalsContact NZ-CB 3.31Å; N257-Y281 VanDerWaalsContact C-CE2 3.45Å; N257-Y281 HydrophobicContact CB-CD2 3.99Å; N257-Y281 HydrophobicContact CB-CE1 4.27Å; N257-Y281 HydrophobicContact CB-CE2 3.54Å; N257-Y281 VanDerWaalsContact O-CE2 3.28Å; N257-Y281 WeakPolarHBondContact O-CE2 3.41Å; E258-Y281 HydrophobicContact CG-CD2 3.78Å; E258-Y281 HydrophobicContact CG-CG 4.45Å; K265-Y281 WeakPolarHBondContact CE-OH 3.5Å; G279-Y281 PolarHBondContact O-N 2.71Å; Y281-S289 WeakPolarHBondContact CD1-O 2.95Å; Y281-S289 WeakPolarHBondContact CE1-OG 3.11Å; Y281-S289 PolarHBondContact N-O 2.82Å; Y281-S289 PolarHBondContact O-N 3.16Å; Y281-S289 VanDerWaalsContact O-O 3.14Å; Y281-S289 PolarHBondContact OH-OG 3.16Å; Y281-F291 AromaticContact CD1-CD1 3.58Å; Y281-F291 HydrophobicContact CD1-CD1 3.58Å; Y281-F291 HydrophobicContact CD1-CE1 4.24Å; Y281-F291 HydrophobicContact CE1-CB 4.33Å; Y281-F291 AromaticContact CE1-CD1 3.99Å; Y281-F291 HydrophobicContact CE1-CD1 3.99Å; Y281-F291 HydrophobicContact CG-CD1 4.17Å
282	K	97.9	Very high	97.6	Very high	122 Å²	122	55.1 Å²	55.1	53%	0.53	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.6	169.2	-74.6	-178	172.2	-180	0	109.1	E258 K287 E288	E258-K282 WeakPolarHBondContact CG-O 3.42Å; K282-K287 CarbonylContact C-O 3.33Å; K282-K287 WeakPolarHBondContact CA-O 3.5Å; K282-E288 WeakPolarHBondContact CE-OE1 3.37Å; K282-E288 IonicContact NZ-OE1 3.29Å
283	S	96	Very high	97.6	Very high	18 Å²	18	54.6 Å²	54.6	13%	0.126	28%	0.279	C	S	.	.			trans	-65.4	167.1	176	73	0	0	0	0	111.7	D285 G286 K287	S283-D285 PolarHBondContact O-N 3.16Å; S283-D285 VanDerWaalsContact O-N 3.07Å; S283-G286 WeakPolarHBondContact O-CA 3.35Å; S283-G286 PolarHBondContact O-N 2.98Å; S283-K287 PolarHBondContact N-O 3.16Å; S283-K287 PolarHBondContact OG-N 3.21Å
284	K	94	Very high	97.6	Very high	120 Å²	120	53.7 Å²	53.7	52%	0.522	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-32	174.1	-179.1	-175.7	173.6	-174.5	0	113.5	E258 D261 G286	E258-K284 WeakPolarHBondContact O-CA 3.47Å; E258-K284 PolarHBondContact O-N 3.48Å; D261-K284 IonicContact OD1-NZ 3.22Å; D261-K284 PolarHBondContact OD1-NZ 2.93Å; K284-G286 VanDerWaalsContact C-N 3.32Å
285	D	94.3	Very high	97.6	Very high	123 Å²	123	49.9 Å²	49.9	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	8.1	178.2	-57.7	-32.9	0	0	0	113.6	S283	S283-D285 PolarHBondContact O-N 3.16Å; S283-D285 VanDerWaalsContact O-N 3.07Å
286	G	95.2	Very high	97.7	Very high	52 Å²	52	49.8 Å²	49.8	54%	0.536	25%	0.252	S	S	.	.	S	Bend	trans	78.6	15.3	177.1	0	0	0	0	0	115.5	S283 K284	S283-G286 WeakPolarHBondContact O-CA 3.35Å; S283-G286 PolarHBondContact O-N 2.98Å; K284-G286 VanDerWaalsContact C-N 3.32Å
287	K	96.4	Very high	97.7	Very high	141 Å²	141	49.8 Å²	49.8	61%	0.613	25%	0.253	S	S	*	.			trans	-89.3	141.2	178.3	-62.7	175.5	-177.1	166.5	0	111	K282 S283 S289	K282-K287 CarbonylContact C-O 3.33Å; K282-K287 WeakPolarHBondContact CA-O 3.5Å; S283-K287 PolarHBondContact N-O 3.16Å; S283-K287 PolarHBondContact OG-N 3.21Å; K287-S289 PolarHBondContact O-N 2.79Å
288	E	97.5	Very high	97.7	Very high	140 Å²	140	45.2 Å²	45.2	65%	0.654	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64	130.7	167.8	-59.5	-60.2	150.3	0	0	109.5	K282	K282-E288 WeakPolarHBondContact CE-OE1 3.37Å; K282-E288 IonicContact NZ-OE1 3.29Å
289	S	97.8	Very high	97.7	Very high	25 Å²	25	45.3 Å²	45.3	18%	0.175	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	172.2	-177.8	-171.1	0	0	0	0	109.8	K265 Y281 K287	K265-S289 PolarHBondContact NZ-OG 2.94Å; Y281-S289 WeakPolarHBondContact CD1-O 2.95Å; Y281-S289 WeakPolarHBondContact CE1-OG 3.11Å; Y281-S289 PolarHBondContact N-O 2.82Å; Y281-S289 PolarHBondContact O-N 3.16Å; Y281-S289 VanDerWaalsContact O-O 3.14Å; Y281-S289 PolarHBondContact OH-OG 3.16Å; K287-S289 PolarHBondContact O-N 2.79Å
290	N	98.5	Very high	97.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.2	178.9	-155.6	-48.3	0	0	0	110.7	K265 W267 Q276 G279 C292 Y337	K265-N290 PolarHBondContact NZ-O 2.66Å; W267-N290 WeakPolarHBondContact CZ3-O 3.35Å; Q276-N290 PolarHBondContact O-ND2 3.01Å; G279-N290 VanDerWaalsContact CA-OD1 3.22Å; G279-N290 WeakPolarHBondContact CA-OD1 3.25Å; G279-N290 VanDerWaalsContact O-CA 3.26Å; G279-N290 WeakPolarHBondContact O-CA 3.23Å; G279-N290 PolarHBondContact O-OD1 3.29Å; N290-C292 WeakPolarHBondContact OD1-CB 3.27Å; N290-C292 PolarHBondContact OD1-N 3.29Å; N290-Y337 HydrophobicContact CB-CD1 4.49Å; N290-Y337 HydrophobicContact CB-CD2 4.04Å; N290-Y337 HydrophobicContact CB-CE1 3.85Å; N290-Y337 HydrophobicContact CB-CE2 3.31Å; N290-Y337 VanDerWaalsContact CB-OH 3.24Å; N290-Y337 WeakPolarHBondContact CB-OH 3.39Å; N290-Y337 PolarHBondContact ND2-OH 3.4Å
291	F	98.7	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.			trans	-122	3.3	176.8	67.4	-97.5	0	0	0	113.8	F250 A253 K254 N257 V266 W267 V268 G279 Y281 L293	F250-F291 HydrophobicContact CB-CE2 4.45Å; F250-F291 AromaticContact CD1-CE2 3.54Å; F250-F291 HydrophobicContact CD1-CE2 3.54Å; F250-F291 AromaticContact CD1-CZ 3.98Å; F250-F291 HydrophobicContact CD1-CZ 3.98Å; F250-F291 HydrophobicContact CE1-CE2 4.23Å; F250-F291 HydrophobicContact CG-CE2 4.39Å; F250-F291 VanDerWaalsContact O-CZ 3.24Å; F250-F291 WeakPolarHBondContact O-CZ 3.39Å; A253-F291 HydrophobicContact CB-CD2 3.62Å; A253-F291 HydrophobicContact CB-CE2 3.43Å; A253-F291 VanDerWaalsContact CB-CE2 3.43Å; A253-F291 HydrophobicContact CB-CG 4.44Å; A253-F291 HydrophobicContact CB-CZ 4.12Å; K254-F291 VanDerWaalsContact CA-CE1 3.48Å; K254-F291 HydrophobicContact CB-CE1 3.54Å; K254-F291 HydrophobicContact CB-CZ 3.65Å; K254-F291 HydrophobicContact CG-CE1 4.06Å; N257-F291 HydrophobicContact CB-CD1 4.49Å; N257-F291 WeakPolarHBondContact ND2-CB 3.38Å; N257-F291 VanDerWaalsContact ND2-CG 3.26Å; N257-F291 WeakPolarHBondContact ND2-CG 3.32Å; V266-F291 WeakPolarHBondContact O-CB 3.32Å; W267-F291 CarbonylContact C-O 3.57Å; W267-F291 VanDerWaalsContact CA-O 3.31Å; W267-F291 WeakPolarHBondContact CA-O 3.4Å; V268-F291 HydrophobicContact CB-CD2 4.33Å; V268-F291 HydrophobicContact CB-CE2 4.4Å; V268-F291 HydrophobicContact CG2-CD2 3.93Å; V268-F291 HydrophobicContact CG2-CE2 3.88Å; V268-F291 PolarHBondContact N-O 2.94Å; G279-F291 WeakPolarHBondContact O-CD1 3.33Å; G279-F291 WeakPolarHBondContact O-CE1 3.47Å; G279-F291 PolarHBondContact O-N 2.77Å; Y281-F291 AromaticContact CD1-CD1 3.58Å; Y281-F291 HydrophobicContact CD1-CD1 3.58Å; Y281-F291 HydrophobicContact CD1-CE1 4.24Å; Y281-F291 HydrophobicContact CE1-CB 4.33Å; Y281-F291 AromaticContact CE1-CD1 3.99Å; Y281-F291 HydrophobicContact CE1-CD1 3.99Å; Y281-F291 HydrophobicContact CG-CD1 4.17Å; F291-L293 PolarHBondContact O-N 3.26Å
292	C	98.9	Very high	97.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	106.9	164.3	-171.4	0	0	0	0	107.7	F250 V268 N290 T294 Y337	F250-C292 HydrophobicContact CE1-CB 3.98Å; V268-C292 CarbonylContact O-C 3.55Å; V268-C292 VanDerWaalsContact O-CA 3.32Å; V268-C292 WeakPolarHBondContact O-CA 3.37Å; N290-C292 WeakPolarHBondContact OD1-CB 3.27Å; N290-C292 PolarHBondContact OD1-N 3.29Å; C292-T294 PolarHBondContact SG-O 3.46Å; C292-Y337 VanDerWaalsContact O-CD2 3.24Å; C292-Y337 WeakPolarHBondContact O-CD2 3.2Å
293	L	98.9	Very high	97.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-46.1	-174.4	177.8	61.3	0	0	0	111.3	T168 I237 W267 V268 I269 F291 G336 Y337 L338	T168-L293 HydrophobicContact CG2-CD1 3.85Å; T168-L293 HydrophobicContact CG2-CD2 3.92Å; I237-L293 HydrophobicContact CD1-CD2 4.06Å; I237-L293 HydrophobicContact CG2-CD2 4.19Å; W267-L293 HydrophobicContact CB-CB 4.1Å; W267-L293 HydrophobicContact CD2-CB 4.31Å; W267-L293 HydrophobicContact CD2-CD1 4.27Å; W267-L293 HydrophobicContact CE3-CB 3.88Å; W267-L293 HydrophobicContact CE3-CD1 4.07Å; W267-L293 HydrophobicContact CG-CB 4.43Å; W267-L293 HydrophobicContact CZ3-CD1 4.39Å; V268-L293 PolarHBondContact O-N 2.83Å; I269-L293 HydrophobicContact CD1-CD2 4.28Å; I269-L293 HydrophobicContact CG1-CB 4.21Å; I269-L293 HydrophobicContact CG1-CD2 4.19Å; F291-L293 PolarHBondContact O-N 3.26Å; L293-G336 WeakPolarHBondContact O-CA 3.38Å; L293-Y337 PolarHBondContact O-N 3.47Å; L293-L338 HydrophobicContact CD1-CD2 3.82Å; L293-L338 HydrophobicContact CD2-CD2 4.14Å; L293-L338 HydrophobicContact CG-CD2 3.71Å
294	T	98.9	Very high	97.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	174.1	-179.4	173.6	0	0	0	0	107	A164 I269 G270 C292 L333 T334 L338	A164-T294 HydrophobicContact CB-CG2 4.17Å; I269-T294 WeakPolarHBondContact CA-O 3.11Å; I269-T294 HydrophobicContact CD1-CG2 4.28Å; I269-T294 HydrophobicContact CG1-CG2 4Å; I269-T294 HydrophobicContact CG2-CG2 3.94Å; G270-T294 PolarHBondContact N-O 3.36Å; C292-T294 PolarHBondContact SG-O 3.46Å; T294-L333 HydrophobicContact CG2-CD1 3.93Å; T294-L333 HydrophobicContact CG2-CD2 4.27Å; T294-L333 HydrophobicContact CG2-CG 4.32Å; T294-L333 WeakPolarHBondContact OG1-CD1 3.02Å; T294-L333 VanDerWaalsContact OG1-CG 3.25Å; T294-L333 WeakPolarHBondContact OG1-CG 3.19Å; T294-T334 WeakPolarHBondContact CB-O 3.4Å; T294-T334 PolarHBondContact OG1-O 2.89Å; T294-T334 PolarHBondContact OG1-OG1 3.35Å; T294-L338 HydrophobicContact CG2-CD2 4.17Å
295	S	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.7	171.1	-59.6	0	0	0	0	110.3	G270 S273 Q275 L333 T334	G270-S295 CarbonylContact O-C 3.48Å; G270-S295 VanDerWaalsContact O-CA 3.31Å; G270-S295 WeakPolarHBondContact O-CA 3.42Å; S273-S295 VanDerWaalsContact O-CB 3.29Å; S273-S295 WeakPolarHBondContact O-CB 3.49Å; Q275-S295 PolarHBondContact N-OG 2.81Å; S295-L333 WeakPolarHBondContact O-CA 3.37Å; S295-T334 PolarHBondContact N-OG1 3.44Å; S295-T334 PolarHBondContact O-N 3.36Å
296	T	98.9	Very high	98.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.2	163.9	53	0	0	0	0	109.1	A157 A161 Y239 G270 V271 D272 D332 L333	A157-T296 HydrophobicContact CB-CG2 4.06Å; A157-T296 WeakPolarHBondContact O-CG2 3.28Å; A161-T296 HydrophobicContact CB-CG2 3.71Å; Y239-T296 HydrophobicContact CE2-CG2 4.13Å; Y239-T296 VanDerWaalsContact OH-CG2 3.31Å; Y239-T296 WeakPolarHBondContact OH-CG2 3.48Å; Y239-T296 PolarHBondContact OH-OG1 2.77Å; G270-T296 PolarHBondContact O-N 2.92Å; G270-T296 PolarHBondContact O-OG1 3.49Å; V271-T296 CarbonylContact C-O 3.48Å; V271-T296 WeakPolarHBondContact CA-OG1 3.3Å; D272-T296 PolarHBondContact N-O 2.89Å; T296-D332 CarbonylContact C-O 3.58Å; T296-D332 WeakPolarHBondContact CA-O 3.26Å; T296-L333 HydrophobicContact CG2-CD1 3.61Å
297	L	98.8	Very high	98.5	Very high	58 Å²	58	28.1 Å²	28.1	30%	0.304	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	178.8	-59.4	-177.5	0	0	0	109.3	D274 V331 D332 T334	D274-L297 HydrophobicContact CB-CD2 4.23Å; L297-V331 CarbonylContact O-C 3.53Å; L297-V331 WeakPolarHBondContact O-CA 3.31Å; L297-V331 WeakPolarHBondContact O-CB 3.4Å; L297-D332 HydrophobicContact CB-CB 4.3Å; L297-D332 HydrophobicContact CD1-CB 4.35Å; L297-D332 PolarHBondContact N-O 3Å; L297-D332 PolarHBondContact O-N 3.24Å; L297-T334 HydrophobicContact CD1-CG2 3.9Å; L297-T334 HydrophobicContact CD2-CG2 3.86Å; L297-T334 HydrophobicContact CG-CG2 3.93Å
298	K	98.5	Very high	98.6	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.039	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.8	171	-177.3	-171.6	-79.7	178.6	0	108.2	F61 D138 F152 D154 D272 V300	F61-K298 HydrophobicContact CD2-CD 4.2Å; F61-K298 HydrophobicContact CE2-CD 3.97Å; D138-K298 IonicContact OD1-NZ 2.86Å; D138-K298 IonicContact OD2-NZ 3.29Å; D138-K298 PolarHBondContact OD2-NZ 3.37Å; F152-K298 HydrophobicContact CB-CD 4.34Å; F152-K298 HydrophobicContact CB-CG 3.99Å; F152-K298 HydrophobicContact CD1-CG 3.7Å; F152-K298 HydrophobicContact CD2-CD 3.66Å; F152-K298 HydrophobicContact CD2-CG 3.65Å; F152-K298 HydrophobicContact CE1-CG 4.08Å; F152-K298 HydrophobicContact CE2-CD 4.11Å; F152-K298 HydrophobicContact CE2-CG 4.03Å; F152-K298 HydrophobicContact CG-CD 3.94Å; F152-K298 HydrophobicContact CG-CG 3.47Å; F152-K298 VanDerWaalsContact CG-CG 3.47Å; F152-K298 HydrophobicContact CZ-CG 4.24Å; D154-K298 WeakPolarHBondContact OD1-CE 3.34Å; D154-K298 IonicContact OD1-NZ 3.72Å; D154-K298 PolarHBondContact OD1-NZ 2.99Å; D272-K298 HydrophobicContact CB-CB 4.11Å; D272-K298 PolarHBondContact O-N 2.97Å; D272-K298 WeakPolarHBondContact OD1-CB 3.48Å; D272-K298 WeakPolarHBondContact OD1-CD 3.39Å; D272-K298 WeakPolarHBondContact OD1-CE 3.34Å; D272-K298 IonicContact OD1-NZ 2.83Å; D272-K298 PolarHBondContact OD1-NZ 3.01Å; K298-V300 HydrophobicContact CB-CG2 4.26Å; K298-V300 HydrophobicContact CD-CG2 3.31Å; K298-V300 HydrophobicContact CG-CG2 3.58Å; K298-V300 PolarHBondContact O-N 3.26Å
299	G	98.2	Very high	98.6	Very high	19 Å²	19	16 Å²	16	20%	0.196	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	37	-176.5	0	0	0	0	0	115.1	F152 A302 A303 G330	F152-G299 VanDerWaalsContact CE1-C 3.47Å; G299-A302 PolarHBondContact O-N 3.03Å; G299-A303 WeakPolarHBondContact O-CB 3.24Å; G299-A303 PolarHBondContact O-N 2.81Å; G299-G330 WeakPolarHBondContact CA-O 3.24Å; G299-G330 PolarHBondContact N-O 3.18Å
300	V	98.6	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.9	-51.5	179.2	-174.8	0	0	0	0	110.5	F61 A65 I137 F152 K298 A302 A303 V304	F61-V300 HydrophobicContact CD2-CG2 3.88Å; F61-V300 HydrophobicContact CE2-CG2 3.66Å; A65-V300 HydrophobicContact CB-CG1 3.71Å; I137-V300 HydrophobicContact CG2-CG1 4.1Å; I137-V300 HydrophobicContact CG2-CG2 4.47Å; F152-V300 HydrophobicContact CE2-CG2 4.05Å; F152-V300 HydrophobicContact CZ-CG2 4.24Å; K298-V300 HydrophobicContact CB-CG2 4.26Å; K298-V300 HydrophobicContact CD-CG2 3.31Å; K298-V300 HydrophobicContact CG-CG2 3.58Å; K298-V300 PolarHBondContact O-N 3.26Å; V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.87Å; V300-A303 PolarHBondContact O-N 2.84Å; V300-V304 HydrophobicContact CG1-CG2 4.28Å; V300-V304 WeakPolarHBondContact O-CG2 3.35Å; V300-V304 PolarHBondContact O-N 3.26Å
301	G	98.5	Very high	98.6	Very high	8 Å²	8	17.6 Å²	17.6	8%	0.082	11%	0.114	C	C	.	.	H	α-helix	trans	-57.9	-40.5	177.3	0	0	0	0	0	113	S64 G68 V304 Q305	S64-G301 WeakPolarHBondContact O-CA 3.49Å; S64-G301 PolarHBondContact OG-N 3.5Å; G68-G301 WeakPolarHBondContact CA-O 3.32Å; G301-V304 PolarHBondContact O-N 3.1Å; G301-Q305 WeakPolarHBondContact O-CB 3.31Å; G301-Q305 PolarHBondContact O-N 2.9Å
302	A	98.5	Very high	98.5	Very high	64 Å²	64	19 Å²	19	53%	0.529	12%	0.121	S	C	.	.	H	α-helix	trans	-66.6	-40.9	176.7	0	0	0	0	0	112.3	G299 V300 Q305 S306	G299-A302 PolarHBondContact O-N 3.03Å; V300-A302 VanDerWaalsContact C-N 3.28Å; V300-A302 PolarHBondContact O-N 2.87Å; A302-Q305 PolarHBondContact O-N 3.02Å; A302-S306 VanDerWaalsContact O-CB 3.29Å; A302-S306 WeakPolarHBondContact O-CB 3.22Å; A302-S306 PolarHBondContact O-N 2.99Å
303	A	98.7	Very high	98.4	Very high	3 Å²	3	23 Å²	23	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-45.4	175.7	0	0	0	0	0	111.4	F152 G299 V300 Q305 S306 I307 F324	F152-A303 HydrophobicContact CZ-CB 3.91Å; G299-A303 WeakPolarHBondContact O-CB 3.24Å; G299-A303 PolarHBondContact O-N 2.81Å; V300-A303 PolarHBondContact O-N 2.84Å; A303-Q305 PolarHBondContact O-N 3.03Å; A303-S306 PolarHBondContact O-N 3.17Å; A303-I307 WeakPolarHBondContact O-CB 3.36Å; A303-I307 WeakPolarHBondContact O-CD1 3.48Å; A303-I307 WeakPolarHBondContact O-CG1 3.39Å; A303-I307 PolarHBondContact O-N 2.96Å; A303-F324 HydrophobicContact CB-CE2 3.98Å; A303-F324 HydrophobicContact CB-CZ 4.46Å
304	V	98.9	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-48.5	174.7	169.5	0	0	0	0	110.6	I49 A65 L69 F112 I114 V300 G301 S308	I49-V304 HydrophobicContact CD1-CG1 4.07Å; A65-V304 HydrophobicContact CB-CG2 4.21Å; L69-V304 HydrophobicContact CB-CG1 3.86Å; L69-V304 HydrophobicContact CD1-CG1 4.29Å; F112-V304 HydrophobicContact CD1-CG2 3.95Å; F112-V304 HydrophobicContact CE1-CB 4.24Å; F112-V304 HydrophobicContact CE1-CG1 4.34Å; F112-V304 HydrophobicContact CE1-CG2 4Å; F112-V304 HydrophobicContact CZ-CG1 4.36Å; I114-V304 HydrophobicContact CD1-CG2 4.01Å; V300-V304 HydrophobicContact CG1-CG2 4.28Å; V300-V304 WeakPolarHBondContact O-CG2 3.35Å; V300-V304 PolarHBondContact O-N 3.26Å; G301-V304 PolarHBondContact O-N 3.1Å; V304-S308 WeakPolarHBondContact O-CB 3.34Å; V304-S308 PolarHBondContact O-N 3.11Å; V304-S308 PolarHBondContact O-OG 3.46Å
305	Q	98.7	Very high	98.2	Very high	55 Å²	55	36.6 Å²	36.6	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-50.7	178.3	-179.3	174.4	13.7	0	0	111.3	W72 E75 G301 A302 A303 S308 T309	W72-Q305 HydrophobicContact CB-CB 4.41Å; W72-Q305 HydrophobicContact CB-CG 4.03Å; E75-Q305 PolarHBondContact OE2-NE2 3.05Å; G301-Q305 WeakPolarHBondContact O-CB 3.31Å; G301-Q305 PolarHBondContact O-N 2.9Å; A302-Q305 PolarHBondContact O-N 3.02Å; A303-Q305 PolarHBondContact O-N 3.03Å; Q305-S308 PolarHBondContact O-N 3.07Å; Q305-T309 PolarHBondContact O-N 3.39Å; Q305-T309 PolarHBondContact O-OG1 3.48Å
306	S	98.5	Very high	98.1	Very high	61 Å²	61	38.2 Å²	38.2	43%	0.427	22%	0.215	S	C	.	.	H	α-helix	trans	-61	-48.1	-178.4	-172.9	0	0	0	0	112.2	A302 A303 S308 T309 D310	A302-S306 VanDerWaalsContact O-CB 3.29Å; A302-S306 WeakPolarHBondContact O-CB 3.22Å; A302-S306 PolarHBondContact O-N 2.99Å; A303-S306 PolarHBondContact O-N 3.17Å; S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 3.36Å; S306-T309 WeakPolarHBondContact O-CB 3.24Å; S306-T309 PolarHBondContact O-N 3.49Å; S306-D310 PolarHBondContact O-N 2.86Å
307	I	98.8	Very high	98.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-36.5	-178.8	-64.3	165.3	0	0	0	110.5	F112 V135 A150 A303 T309 D310 A311 F316 P317 L322	F112-I307 HydrophobicContact CE1-CB 4.12Å; F112-I307 HydrophobicContact CE1-CD1 4.35Å; F112-I307 HydrophobicContact CE1-CG2 4.14Å; F112-I307 HydrophobicContact CZ-CB 3.89Å; F112-I307 HydrophobicContact CZ-CG2 3.77Å; V135-I307 HydrophobicContact CG1-CD1 3.92Å; V135-I307 HydrophobicContact CG1-CG2 4.46Å; V135-I307 HydrophobicContact CG2-CG2 3.68Å; A150-I307 HydrophobicContact CB-CD1 4.12Å; A303-I307 WeakPolarHBondContact O-CB 3.36Å; A303-I307 WeakPolarHBondContact O-CD1 3.48Å; A303-I307 WeakPolarHBondContact O-CG1 3.39Å; A303-I307 PolarHBondContact O-N 2.96Å; I307-T309 VanDerWaalsContact C-N 3.34Å; I307-D310 PolarHBondContact O-N 3.47Å; I307-A311 WeakPolarHBondContact O-CB 3.35Å; I307-A311 PolarHBondContact O-N 3.17Å; I307-F316 HydrophobicContact CG2-CD2 4.28Å; I307-F316 HydrophobicContact CG2-CE2 3.84Å; I307-P317 HydrophobicContact CG1-CG 4.39Å; I307-P317 HydrophobicContact CG2-CG 4.15Å; I307-L322 HydrophobicContact CD1-CD1 3.94Å; I307-L322 HydrophobicContact CG1-CD1 3.87Å
308	S	98.7	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-38.5	173.9	-59.3	0	0	0	0	111.5	W72 F112 V304 Q305 S306 A311 L312	W72-S308 VanDerWaalsContact CD1-CB 3.44Å; W72-S308 PolarHBondContact NE1-O 3.32Å; F112-S308 WeakPolarHBondContact CE2-OG 3.49Å; F112-S308 WeakPolarHBondContact CZ-OG 3.43Å; V304-S308 WeakPolarHBondContact O-CB 3.34Å; V304-S308 PolarHBondContact O-N 3.11Å; V304-S308 PolarHBondContact O-OG 3.46Å; Q305-S308 PolarHBondContact O-N 3.07Å; S306-S308 VanDerWaalsContact C-N 3.33Å; S306-S308 PolarHBondContact O-N 3.36Å; S308-A311 PolarHBondContact O-N 3.05Å; S308-L312 WeakPolarHBondContact O-CB 3.33Å; S308-L312 PolarHBondContact O-N 2.77Å
309	T	98.4	Very high	98.1	Very high	28 Å²	28	38.4 Å²	38.4	17%	0.172	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-40.2	172.8	-66.7	0	0	0	0	111.9	W72 H76 Q305 S306 I307 L312 N313	W72-T309 VanDerWaalsContact CD1-OG1 3.3Å; H76-T309 PolarHBondContact NE2-OG1 2.68Å; Q305-T309 PolarHBondContact O-N 3.39Å; Q305-T309 PolarHBondContact O-OG1 3.48Å; S306-T309 WeakPolarHBondContact O-CB 3.24Å; S306-T309 PolarHBondContact O-N 3.49Å; I307-T309 VanDerWaalsContact C-N 3.34Å; T309-L312 PolarHBondContact O-N 3.04Å; T309-N313 PolarHBondContact O-N 3.31Å; T309-N313 VanDerWaalsContact O-N 3.15Å; T309-N313 PolarHBondContact O-ND2 3.08Å
310	D	98.5	Very high	98.1	Very high	54 Å²	54	43.4 Å²	43.4	29%	0.289	25%	0.25	S	C	.	.	H	α-helix	trans	-64.1	-41.6	174.9	-77.3	-21.3	0	0	0	111.5	S306 I307 N313 D314 K315 F316	S306-D310 PolarHBondContact O-N 2.86Å; I307-D310 PolarHBondContact O-N 3.47Å; D310-N313 CarbonylContact O-C 3.51Å; D310-N313 PolarHBondContact O-N 3.4Å; D310-D314 PolarHBondContact O-N 3.28Å; D310-K315 CarbonylContact O-C 3.58Å; D310-K315 WeakPolarHBondContact O-CA 3.25Å; D310-K315 PolarHBondContact O-N 3.5Å; D310-F316 PolarHBondContact O-N 2.9Å
311	A	98	Very high	98.1	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-40.3	175	0	0	0	0	0	113	H45 T110 I307 S308 N313 D314 F316	H45-A311 PolarHBondContact ND1-O 3.07Å; H45-A311 VanDerWaalsContact ND1-O 3.09Å; T110-A311 WeakPolarHBondContact OG1-CB 3.47Å; I307-A311 WeakPolarHBondContact O-CB 3.35Å; I307-A311 PolarHBondContact O-N 3.17Å; S308-A311 PolarHBondContact O-N 3.05Å; A311-N313 PolarHBondContact O-N 3Å; A311-D314 PolarHBondContact O-N 2.95Å; A311-F316 HydrophobicContact CB-CB 4.45Å; A311-F316 HydrophobicContact CB-CD2 4Å
312	L	96.8	Very high	98.1	Very high	29 Å²	29	49.6 Å²	49.6	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-31.1	175	-178.6	62.7	0	0	0	112.4	H45 W72 H76 I78 S308 T309 D314	H45-L312 HydrophobicContact CB-CB 4.42Å; H45-L312 HydrophobicContact CB-CD1 3.5Å; H45-L312 VanDerWaalsContact CB-CD1 3.5Å; H45-L312 PolarHBondContact CE1-O 3.16Å; W72-L312 HydrophobicContact CZ2-CB 4.29Å; W72-L312 HydrophobicContact CZ2-CD2 4.34Å; H76-L312 HydrophobicContact CB-CD2 3.83Å; H76-L312 VanDerWaalsContact CG-CD2 3.48Å; I78-L312 HydrophobicContact CD1-CD1 4.19Å; I78-L312 HydrophobicContact CD1-CD2 4.2Å; S308-L312 WeakPolarHBondContact O-CB 3.33Å; S308-L312 PolarHBondContact O-N 2.77Å; T309-L312 PolarHBondContact O-N 3.04Å; L312-D314 VanDerWaalsContact C-N 3.35Å
313	N	96.6	Very high	98.1	Very high	86 Å²	86	49 Å²	49	46%	0.46	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	17	-178.7	-70.5	-55.8	0	0	0	113.7	T309 D310 A311 K315	T309-N313 PolarHBondContact O-N 3.31Å; T309-N313 VanDerWaalsContact O-N 3.15Å; T309-N313 PolarHBondContact O-ND2 3.08Å; D310-N313 CarbonylContact O-C 3.51Å; D310-N313 PolarHBondContact O-N 3.4Å; A311-N313 PolarHBondContact O-N 3Å; N313-K315 HydrophobicContact CB-CD 4.49Å; N313-K315 WeakPolarHBondContact O-CG 3.31Å; N313-K315 PolarHBondContact O-N 2.78Å
314	D	95.2	Very high	98.1	Very high	138 Å²	138	51.2 Å²	51.2	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	29.9	-175.6	-63.5	-58	0	0	0	113.4	H45 D310 A311 L312	H45-D314 IonicContact CE1-OD1 2.81Å; H45-D314 PolarHBondContact CE1-OD1 2.9Å; D310-D314 PolarHBondContact O-N 3.28Å; A311-D314 PolarHBondContact O-N 2.95Å; L312-D314 VanDerWaalsContact C-N 3.35Å
315	K	97.2	Very high	98	Very high	150 Å²	150	51.3 Å²	51.3	65%	0.652	28%	0.28	S	S	*	.			trans	-121.6	27.1	-178.7	-70.6	175	-173.4	176.4	0	112.2	D310 N313	D310-K315 CarbonylContact O-C 3.58Å; D310-K315 WeakPolarHBondContact O-CA 3.25Å; D310-K315 PolarHBondContact O-N 3.5Å; N313-K315 HydrophobicContact CB-CD 4.49Å; N313-K315 WeakPolarHBondContact O-CG 3.31Å; N313-K315 PolarHBondContact O-N 2.78Å
316	F	98.3	Very high	98	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.145	27%	0.27	C	S	.	.			trans	-47.6	127.2	179.6	-178.5	-109.2	0	0	0	110.9	T110 N133 F134 V135 A148 I307 D310 A311 G318	T110-F316 HydrophobicContact CG2-CE2 4.14Å; N133-F316 HydrophobicContact CB-CD1 3.75Å; N133-F316 HydrophobicContact CB-CD2 3.9Å; N133-F316 HydrophobicContact CB-CE1 3.68Å; N133-F316 HydrophobicContact CB-CE2 3.84Å; N133-F316 HydrophobicContact CB-CG 3.87Å; N133-F316 HydrophobicContact CB-CZ 3.74Å; N133-F316 VanDerWaalsContact CG-CG 3.43Å; N133-F316 WeakPolarHBondContact ND2-CG 3.49Å; N133-F316 VanDerWaalsContact OD1-CD1 3.28Å; N133-F316 WeakPolarHBondContact OD1-CD1 3.45Å; F134-F316 VanDerWaalsContact O-CZ 3.31Å; F134-F316 WeakPolarHBondContact O-CZ 3.47Å; V135-F316 HydrophobicContact CG2-CE2 3.59Å; V135-F316 HydrophobicContact CG2-CZ 3.85Å; A148-F316 HydrophobicContact CB-CE1 4.2Å; A148-F316 HydrophobicContact CB-CE2 4.05Å; A148-F316 HydrophobicContact CB-CZ 3.55Å; I307-F316 HydrophobicContact CG2-CD2 4.28Å; I307-F316 HydrophobicContact CG2-CE2 3.84Å; D310-F316 PolarHBondContact O-N 2.9Å; A311-F316 HydrophobicContact CB-CB 4.45Å; A311-F316 HydrophobicContact CB-CD2 4Å; F316-G318 PolarHBondContact O-N 3.38Å
317	P	98.2	Very high	98	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.032	29%	0.285	C	S	.	.			trans	-79.6	46.2	-175.1	32.5	-36	0	0	0	112.5	A148 I307 K320 L322	A148-P317 HydrophobicContact CB-CG 3.89Å; A148-P317 WeakPolarHBondContact CB-O 3.47Å; I307-P317 HydrophobicContact CG1-CG 4.39Å; I307-P317 HydrophobicContact CG2-CG 4.15Å; P317-K320 HydrophobicContact CB-CB 4.36Å; P317-K320 HydrophobicContact CB-CD 3.95Å; P317-K320 VanDerWaalsContact O-CB 3.27Å; P317-K320 WeakPolarHBondContact O-CB 3.45Å; P317-K320 PolarHBondContact O-N 2.66Å; P317-L322 HydrophobicContact CG-CD1 4.28Å
318	G	98.4	Very high	97.7	Very high	21 Å²	21	59 Å²	59	22%	0.216	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	142.4	178.1	0	0	0	0	0	112.8	D145 F316 K320	D145-G318 CarbonylContact O-C 3.58Å; D145-G318 VanDerWaalsContact O-C 3.24Å; D145-G318 WeakPolarHBondContact O-CA 3.41Å; F316-G318 PolarHBondContact O-N 3.38Å; G318-K320 PolarHBondContact O-N 3.04Å
319	G	98.2	Very high	97.6	Very high	47 Å²	47	61.3 Å²	61.3	49%	0.485	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	2.4	-172.3	0	0	0	0	0	114.9	K144 D145 V147	K144-G319 WeakPolarHBondContact O-CA 3.44Å; K144-G319 PolarHBondContact O-N 3.4Å; D145-G319 PolarHBondContact O-N 3.46Å; V147-G319 WeakPolarHBondContact O-CA 3.29Å; V147-G319 PolarHBondContact O-N 3.25Å
320	K	98.5	Very high	97.6	Very high	125 Å²	125	60.4 Å²	60.4	54%	0.543	33%	0.33	S	S	.	.			trans	-103.5	149.1	-177.2	-57.1	-178.6	-177.5	170.2	0	112.2	S149 P317 G318	S149-K320 PolarHBondContact N-O 3.22Å; P317-K320 HydrophobicContact CB-CB 4.36Å; P317-K320 HydrophobicContact CB-CD 3.95Å; P317-K320 VanDerWaalsContact O-CB 3.27Å; P317-K320 WeakPolarHBondContact O-CB 3.45Å; P317-K320 PolarHBondContact O-N 2.66Å; G318-K320 PolarHBondContact O-N 3.04Å
321	H	98.5	Very high	97.6	Very high	93 Å²	93	57.9 Å²	57.9	43%	0.431	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.8	166.3	176.2	-153.1	0	0	0	109.6	V140 S149 T151	V140-H321 HydrophobicContact CG1-CB 4.5Å; S149-H321 CarbonylContact O-C 3.51Å; S149-H321 WeakPolarHBondContact O-CA 3.48Å; T151-H321 WeakPolarHBondContact CG2-NE2 3.48Å; T151-H321 PolarHBondContact OG1-NE2 3.07Å
322	L	98.5	Very high	97.6	Very high	44 Å²	44	59.9 Å²	59.9	23%	0.23	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.7	172	-51.5	178.4	0	0	0	108	S149 A150 T151 I307 P317 F324	S149-L322 PolarHBondContact O-N 3.49Å; A150-L322 CarbonylContact C-O 3.35Å; A150-L322 VanDerWaalsContact CA-O 3.28Å; A150-L322 WeakPolarHBondContact CA-O 3.32Å; T151-L322 PolarHBondContact N-O 2.8Å; I307-L322 HydrophobicContact CD1-CD1 3.94Å; I307-L322 HydrophobicContact CG1-CD1 3.87Å; P317-L322 HydrophobicContact CG-CD1 4.28Å; L322-F324 HydrophobicContact CB-CE1 4.45Å; L322-F324 HydrophobicContact CB-CE2 3.7Å; L322-F324 HydrophobicContact CB-CZ 3.61Å; L322-F324 HydrophobicContact CD1-CZ 4.1Å; L322-F324 HydrophobicContact CG-CZ 4.45Å
323	S	98.2	Very high	97.7	Very high	53 Å²	53	59.1 Å²	59.1	37%	0.371	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	179.2	-177	0	0	0	0	109	T151	T151-S323 WeakPolarHBondContact O-CA 3.11Å
324	F	98.5	Very high	97.8	Very high	49 Å²	49	56.1 Å²	56.1	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	-174.1	-47.7	-82.7	0	0	0	111.2	A150 T151 F152 K153 A303 L322	A150-F324 HydrophobicContact CB-CE2 4.12Å; T151-F324 PolarHBondContact O-N 2.94Å; F152-F324 CarbonylContact C-O 3.55Å; F152-F324 VanDerWaalsContact CA-O 3.32Å; F152-F324 WeakPolarHBondContact CA-O 3.33Å; F152-F324 HydrophobicContact CD1-CB 3.99Å; F152-F324 HydrophobicContact CD1-CD2 4.29Å; F152-F324 HydrophobicContact CE1-CB 4.15Å; F152-F324 AromaticContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CG 4.34Å; F152-F324 HydrophobicContact CZ-CD2 4.21Å; K153-F324 PolarHBondContact N-O 3.01Å; A303-F324 HydrophobicContact CB-CE2 3.98Å; A303-F324 HydrophobicContact CB-CZ 4.46Å; L322-F324 HydrophobicContact CB-CE1 4.45Å; L322-F324 HydrophobicContact CB-CE2 3.7Å; L322-F324 HydrophobicContact CB-CZ 3.61Å; L322-F324 HydrophobicContact CD1-CZ 4.1Å; L322-F324 HydrophobicContact CG-CZ 4.45Å
325	G	98.4	Very high	98	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	30%	0.298	C	S	.	.			trans	-146.8	-163.2	-175.5	0	0	0	0	0	113.6	E156 K327 D328 G329 G330 V331	E156-G325 WeakPolarHBondContact OE2-CA 3.35Å; G325-K327 VanDerWaalsContact C-N 3.26Å; G325-K327 PolarHBondContact O-N 3.01Å; G325-D328 PolarHBondContact N-OD1 2.96Å; G325-G329 CarbonylContact O-C 3.47Å; G325-G329 PolarHBondContact O-N 3.45Å; G325-G329 VanDerWaalsContact O-N 3.13Å; G325-G330 PolarHBondContact O-N 3.08Å; G325-V331 PolarHBondContact O-N 2.89Å
326	L	98.5	Very high	98	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.047	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.9	178.5	-75.8	176.1	0	0	0	112	E156 L160 D328 G329 V331 K350 V353	E156-L326 HydrophobicContact CB-CD1 3.74Å; E156-L326 HydrophobicContact CB-CG 3.76Å; E156-L326 PolarHBondContact OE2-N 2.83Å; L160-L326 HydrophobicContact CD1-CD1 3.91Å; L160-L326 HydrophobicContact CD1-CD2 3.69Å; L160-L326 HydrophobicContact CD1-CG 4.49Å; L160-L326 HydrophobicContact CD2-CD1 4.47Å; L160-L326 HydrophobicContact CG-CD1 4.21Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.25Å; L326-G329 PolarHBondContact O-N 3.39Å; L326-V331 HydrophobicContact CD2-CG2 4.05Å; L326-V331 WeakPolarHBondContact CD2-O 3.31Å; L326-V331 HydrophobicContact CG-CG2 3.97Å; L326-K350 HydrophobicContact CD1-CG 4.39Å; L326-K350 HydrophobicContact CD2-CG 4.34Å; L326-V353 HydrophobicContact CD1-CB 3.98Å; L326-V353 HydrophobicContact CD1-CG1 3.74Å
327	K	96.8	Very high	98	Very high	171 Å²	171	52 Å²	52	74%	0.743	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.6	-175.1	-176.6	176.9	178.3	179.4	0	113.3	G325	G325-K327 VanDerWaalsContact C-N 3.26Å; G325-K327 PolarHBondContact O-N 3.01Å
328	D	94.4	Very high	98.1	Very high	97 Å²	97	52.3 Å²	52.3	52%	0.519	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	3	-179.2	52.3	33.5	0	0	0	113	G325 L326 G330	G325-D328 PolarHBondContact N-OD1 2.96Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.25Å; D328-G330 VanDerWaalsContact C-N 3.3Å; D328-G330 PolarHBondContact OD1-N 3.49Å
329	G	96.1	Very high	98.1	Very high	50 Å²	50	54.2 Å²	54.2	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	13.6	-179	0	0	0	0	0	114.1	G325 L326 V331	G325-G329 CarbonylContact O-C 3.47Å; G325-G329 PolarHBondContact O-N 3.45Å; G325-G329 VanDerWaalsContact O-N 3.13Å; L326-G329 PolarHBondContact O-N 3.39Å; G329-V331 VanDerWaalsContact C-N 3.27Å; G329-V331 PolarHBondContact O-N 3.05Å
330	G	98	Very high	98.1	Very high	8 Å²	8	58.4 Å²	58.4	8%	0.082	32%	0.315	C	S	.	.	S	Bend	trans	-62.2	-31.3	172.6	0	0	0	0	0	115	F152 G299 G325 D328	F152-G330 WeakPolarHBondContact CD1-O 3.44Å; G299-G330 WeakPolarHBondContact CA-O 3.24Å; G299-G330 PolarHBondContact N-O 3.18Å; G325-G330 PolarHBondContact O-N 3.08Å; D328-G330 VanDerWaalsContact C-N 3.3Å; D328-G330 PolarHBondContact OD1-N 3.49Å
331	V	98.8	Very high	98.1	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157	169.9	-53.8	0	0	0	0	109.4	F152 E156 A157 L297 G325 L326 G329	F152-V331 HydrophobicContact CB-CG1 3.9Å; F152-V331 HydrophobicContact CD1-CG1 4.23Å; E156-V331 HydrophobicContact CB-CG2 4.27Å; A157-V331 HydrophobicContact CB-CB 3.79Å; A157-V331 HydrophobicContact CB-CG2 3.76Å; L297-V331 CarbonylContact O-C 3.53Å; L297-V331 WeakPolarHBondContact O-CA 3.31Å; L297-V331 WeakPolarHBondContact O-CB 3.4Å; G325-V331 PolarHBondContact O-N 2.89Å; L326-V331 HydrophobicContact CD2-CG2 4.05Å; L326-V331 WeakPolarHBondContact CD2-O 3.31Å; L326-V331 HydrophobicContact CG-CG2 3.97Å; G329-V331 VanDerWaalsContact C-N 3.27Å; G329-V331 PolarHBondContact O-N 3.05Å
332	D	98.7	Very high	98.1	Very high	46 Å²	46	54.1 Å²	54.1	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-176.4	176.2	-146	-25	0	0	0	112	T296 L297 K350	T296-D332 CarbonylContact C-O 3.58Å; T296-D332 WeakPolarHBondContact CA-O 3.26Å; L297-D332 HydrophobicContact CB-CB 4.3Å; L297-D332 HydrophobicContact CD1-CB 4.35Å; L297-D332 PolarHBondContact N-O 3Å; L297-D332 PolarHBondContact O-N 3.24Å; D332-K350 WeakPolarHBondContact OD1-CE 3.1Å; D332-K350 IonicContact OD1-NZ 2.83Å; D332-K350 PolarHBondContact OD1-NZ 3.17Å; D332-K350 IonicContact OD2-NZ 3.18Å; D332-K350 PolarHBondContact OD2-NZ 2.97Å
333	L	98.9	Very high	98.1	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.9	171.2	-171.5	78.4	0	0	0	109.6	L160 A161 A164 T294 S295 T296 L338 V346	L160-L333 HydrophobicContact CB-CB 4.05Å; L160-L333 HydrophobicContact CB-CD2 3.85Å; L160-L333 HydrophobicContact CB-CG 4.42Å; L160-L333 HydrophobicContact CD1-CB 4.12Å; A161-L333 HydrophobicContact CB-CD1 4.15Å; A164-L333 HydrophobicContact CB-CD2 4.1Å; T294-L333 HydrophobicContact CG2-CD1 3.93Å; T294-L333 HydrophobicContact CG2-CD2 4.27Å; T294-L333 HydrophobicContact CG2-CG 4.32Å; T294-L333 WeakPolarHBondContact OG1-CD1 3.02Å; T294-L333 VanDerWaalsContact OG1-CG 3.25Å; T294-L333 WeakPolarHBondContact OG1-CG 3.19Å; S295-L333 WeakPolarHBondContact O-CA 3.37Å; T296-L333 HydrophobicContact CG2-CD1 3.61Å; L333-L338 HydrophobicContact CD2-CD1 4.39Å; L333-V346 HydrophobicContact CD2-CG1 3.81Å; L333-V346 HydrophobicContact CD2-CG2 3.91Å
334	T	98.8	Very high	98.1	Very high	23 Å²	23	55.1 Å²	55.1	14%	0.141	31%	0.308	C	S	.	.			trans	-74.3	152.9	176.1	65.8	0	0	0	0	112.1	D274 T294 S295 L297 G336	D274-T334 HydrophobicContact CB-CG2 4.14Å; T294-T334 WeakPolarHBondContact CB-O 3.4Å; T294-T334 PolarHBondContact OG1-O 2.89Å; T294-T334 PolarHBondContact OG1-OG1 3.35Å; S295-T334 PolarHBondContact N-OG1 3.44Å; S295-T334 PolarHBondContact O-N 3.36Å; L297-T334 HydrophobicContact CD1-CG2 3.9Å; L297-T334 HydrophobicContact CD2-CG2 3.86Å; L297-T334 HydrophobicContact CG-CG2 3.93Å; T334-G336 VanDerWaalsContact C-N 3.27Å; T334-G336 PolarHBondContact O-N 3.34Å
335	D	98.5	Very high	98.1	Very high	100 Å²	100	53.2 Å²	53.2	54%	0.535	30%	0.301	S	S	.	.			trans	-63.7	-34.2	173.5	-99.9	25.6	0	0	0	112.8	Y337 L338 K343	D335-Y337 PolarHBondContact O-N 3.28Å; D335-L338 WeakPolarHBondContact O-CB 2.83Å; D335-L338 VanDerWaalsContact O-CG 3.3Å; D335-L338 WeakPolarHBondContact O-CG 3.27Å; D335-L338 PolarHBondContact O-N 2.99Å; D335-K343 WeakPolarHBondContact OD2-CE 3.44Å; D335-K343 IonicContact OD2-NZ 3.29Å; D335-K343 PolarHBondContact OD2-NZ 2.94Å
336	G	97.7	Very high	98.2	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.1	-128.2	-179	0	0	0	0	0	114	L293 T334	L293-G336 WeakPolarHBondContact O-CA 3.38Å; T334-G336 VanDerWaalsContact C-N 3.27Å; T334-G336 PolarHBondContact O-N 3.34Å
337	Y	98.4	Very high	98.2	Very high	110 Å²	110	59.6 Å²	59.6	43%	0.431	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	21.3	178.6	-69.9	-95.6	0	0	0	112.6	W267 Q276 N290 C292 L293 D335	W267-Y337 HydrophobicContact CZ3-CG 4.36Å; Q276-Y337 HydrophobicContact CG-CE2 3.82Å; N290-Y337 HydrophobicContact CB-CD1 4.49Å; N290-Y337 HydrophobicContact CB-CD2 4.04Å; N290-Y337 HydrophobicContact CB-CE1 3.85Å; N290-Y337 HydrophobicContact CB-CE2 3.31Å; N290-Y337 VanDerWaalsContact CB-OH 3.24Å; N290-Y337 WeakPolarHBondContact CB-OH 3.39Å; N290-Y337 PolarHBondContact ND2-OH 3.4Å; C292-Y337 VanDerWaalsContact O-CD2 3.24Å; C292-Y337 WeakPolarHBondContact O-CD2 3.2Å; L293-Y337 PolarHBondContact O-N 3.47Å; D335-Y337 PolarHBondContact O-N 3.28Å
338	L	98.7	Very high	98.3	Very high	12 Å²	12	55 Å²	55	6%	0.063	31%	0.31	C	S	.	.			trans	-61	143.2	174.5	-61.3	177	0	0	0	110.9	A164 L293 T294 L333 D335 A342 K343 V346	A164-L338 HydrophobicContact CB-CD1 4.26Å; A164-L338 HydrophobicContact CB-CD2 3.69Å; L293-L338 HydrophobicContact CD1-CD2 3.82Å; L293-L338 HydrophobicContact CD2-CD2 4.14Å; L293-L338 HydrophobicContact CG-CD2 3.71Å; T294-L338 HydrophobicContact CG2-CD2 4.17Å; L333-L338 HydrophobicContact CD2-CD1 4.39Å; D335-L338 WeakPolarHBondContact O-CB 2.83Å; D335-L338 VanDerWaalsContact O-CG 3.3Å; D335-L338 WeakPolarHBondContact O-CG 3.27Å; D335-L338 PolarHBondContact O-N 2.99Å; L338-A342 HydrophobicContact CB-CB 4.13Å; L338-A342 HydrophobicContact CD2-CB 4.29Å; L338-K343 HydrophobicContact CB-CG 3.69Å; L338-K343 HydrophobicContact CD1-CG 4.39Å; L338-K343 VanDerWaalsContact O-CE 3.32Å; L338-K343 WeakPolarHBondContact O-CE 3.3Å; L338-V346 HydrophobicContact CD1-CG2 4.22Å
339	S	98.3	Very high	98.5	Very high	61 Å²	61	50.7 Å²	50.7	43%	0.427	29%	0.288	S	S	.	.			trans	-67.5	162.6	169.3	66.4	0	0	0	0	111	D341 A342 K343	S339-D341 PolarHBondContact O-N 3.09Å; S339-A342 PolarHBondContact O-N 3.42Å; S339-A342 VanDerWaalsContact O-N 3.16Å; S339-A342 WeakPolarHBondContact OG-CB 3.42Å; S339-A342 PolarHBondContact OG-N 3.14Å; S339-A342 VanDerWaalsContact OG-N 3.16Å; S339-K343 WeakPolarHBondContact O-CG 3.33Å; S339-K343 PolarHBondContact O-N 2.98Å
340	D	98.7	Very high	98.6	Very high	134 Å²	134	51.3 Å²	51.3	72%	0.717	28%	0.276	S	S	*	.	H	α-helix	trans	-58.4	-37.8	176.9	-67.7	-23.7	0	0	0	112	K343 A344	D340-K343 PolarHBondContact O-N 3.2Å; D340-A344 WeakPolarHBondContact O-CB 3.09Å; D340-A344 PolarHBondContact O-N 2.97Å
341	D	98.1	Very high	98.6	Very high	128 Å²	128	56.2 Å²	56.2	68%	0.684	30%	0.297	S	S	*	.	H	α-helix	trans	-65.5	-45	176	-68.1	-21.8	0	0	0	111.5	S339 K343 A344 A345	S339-D341 PolarHBondContact O-N 3.09Å; D341-K343 PolarHBondContact O-N 3.36Å; D341-A344 PolarHBondContact O-N 2.73Å; D341-A345 PolarHBondContact O-N 2.76Å
342	A	98.7	Very high	98.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-39.8	176.9	0	0	0	0	0	111.7	E167 L338 S339 A345 V346	E167-A342 HydrophobicContact CB-CB 3.81Å; L338-A342 HydrophobicContact CB-CB 4.13Å; L338-A342 HydrophobicContact CD2-CB 4.29Å; S339-A342 PolarHBondContact O-N 3.42Å; S339-A342 VanDerWaalsContact O-N 3.16Å; S339-A342 WeakPolarHBondContact OG-CB 3.42Å; S339-A342 PolarHBondContact OG-N 3.14Å; S339-A342 VanDerWaalsContact OG-N 3.16Å; A342-A345 PolarHBondContact O-N 2.92Å; A342-V346 WeakPolarHBondContact O-CB 3.24Å; A342-V346 WeakPolarHBondContact O-CG2 3.39Å; A342-V346 PolarHBondContact O-N 3.43Å
343	K	98.8	Very high	98.6	Very high	60 Å²	60	57.9 Å²	57.9	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-41.7	174	-70.8	-179.3	-178.5	-161	0	112	D335 L338 S339 D340 D341 V346 K347	D335-K343 WeakPolarHBondContact OD2-CE 3.44Å; D335-K343 IonicContact OD2-NZ 3.29Å; D335-K343 PolarHBondContact OD2-NZ 2.94Å; L338-K343 HydrophobicContact CB-CG 3.69Å; L338-K343 HydrophobicContact CD1-CG 4.39Å; L338-K343 VanDerWaalsContact O-CE 3.32Å; L338-K343 WeakPolarHBondContact O-CE 3.3Å; S339-K343 WeakPolarHBondContact O-CG 3.33Å; S339-K343 PolarHBondContact O-N 2.98Å; D340-K343 PolarHBondContact O-N 3.2Å; D341-K343 PolarHBondContact O-N 3.36Å; K343-V346 PolarHBondContact O-N 3.38Å; K343-K347 VanDerWaalsContact O-CB 3.31Å; K343-K347 WeakPolarHBondContact O-CB 3.47Å; K343-K347 PolarHBondContact O-N 2.94Å
344	A	98.8	Very high	98.6	Very high	59 Å²	59	59 Å²	59	49%	0.488	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.4	0	0	0	0	0	111.5	D340 D341 K347 E348	D340-A344 WeakPolarHBondContact O-CB 3.09Å; D340-A344 PolarHBondContact O-N 2.97Å; D341-A344 PolarHBondContact O-N 2.73Å; A344-K347 PolarHBondContact O-N 3.34Å; A344-E348 WeakPolarHBondContact O-CB 3.33Å; A344-E348 PolarHBondContact O-N 3.18Å
345	A	98.8	Very high	98.5	Very high	8 Å²	8	61.1 Å²	61.1	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-44.6	176.3	0	0	0	0	0	112.5	V163 E167 D341 A342 K347 E348 A349	V163-A345 HydrophobicContact CG1-CB 3.91Å; E167-A345 HydrophobicContact CG-CB 3.74Å; E167-A345 WeakPolarHBondContact OE1-CB 3.42Å; D341-A345 PolarHBondContact O-N 2.76Å; A342-A345 PolarHBondContact O-N 2.92Å; A345-K347 VanDerWaalsContact C-N 3.34Å; A345-K347 PolarHBondContact O-N 2.92Å; A345-E348 PolarHBondContact O-N 2.87Å; A345-A349 WeakPolarHBondContact O-CB 3.38Å; A345-A349 PolarHBondContact O-N 3.28Å
346	V	98.9	Very high	98.4	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-43.9	174.3	163.3	0	0	0	0	111.1	L160 V163 A164 L333 L338 A342 K343 A349 K350	L160-V346 HydrophobicContact CB-CG1 4.39Å; V163-V346 HydrophobicContact CG1-CG2 4.2Å; A164-V346 HydrophobicContact CB-CG2 3.9Å; L333-V346 HydrophobicContact CD2-CG1 3.81Å; L333-V346 HydrophobicContact CD2-CG2 3.91Å; L338-V346 HydrophobicContact CD1-CG2 4.22Å; A342-V346 WeakPolarHBondContact O-CB 3.24Å; A342-V346 WeakPolarHBondContact O-CG2 3.39Å; A342-V346 PolarHBondContact O-N 3.43Å; K343-V346 PolarHBondContact O-N 3.38Å; V346-A349 WeakPolarHBondContact O-CB 3.33Å; V346-A349 PolarHBondContact O-N 3.06Å; V346-K350 WeakPolarHBondContact O-CB 3.26Å; V346-K350 PolarHBondContact O-N 3.48Å
347	K	98.7	Very high	98.4	Very high	131 Å²	131	63.4 Å²	63.4	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-46.4	178.1	-177.8	-178.3	172.4	-174.3	0	111.5	K343 A344 A345 A349 K350 E351	K343-K347 VanDerWaalsContact O-CB 3.31Å; K343-K347 WeakPolarHBondContact O-CB 3.47Å; K343-K347 PolarHBondContact O-N 2.94Å; A344-K347 PolarHBondContact O-N 3.34Å; A345-K347 VanDerWaalsContact C-N 3.34Å; A345-K347 PolarHBondContact O-N 2.92Å; K347-A349 VanDerWaalsContact C-N 3.31Å; K347-A349 PolarHBondContact O-N 3.25Å; K347-K350 PolarHBondContact O-N 3.16Å; K347-E351 WeakPolarHBondContact CE-OE1 3.33Å; K347-E351 WeakPolarHBondContact O-CG 3.32Å; K347-E351 PolarHBondContact O-N 3.14Å
348	E	98.7	Very high	98.3	Very high	73 Å²	73	60 Å²	60	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-44.7	175.6	-171.7	-164	159.7	0	0	111	K202 A344 A345 E351 K352	K202-E348 IonicContact NZ-OE2 2.66Å; K202-E348 PolarHBondContact NZ-OE2 3.23Å; A344-E348 WeakPolarHBondContact O-CB 3.33Å; A344-E348 PolarHBondContact O-N 3.18Å; A345-E348 PolarHBondContact O-N 2.87Å; E348-E351 PolarHBondContact O-N 3.48Å; E348-K352 HydrophobicContact CG-CD 4.45Å; E348-K352 WeakPolarHBondContact O-CG 3.45Å; E348-K352 PolarHBondContact O-N 3.31Å; E348-K352 VanDerWaalsContact O-N 3.12Å; E348-K352 WeakPolarHBondContact OE1-CE 3.21Å; E348-K352 IonicContact OE1-NZ 3.59Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å
349	A	98.8	Very high	98.2	Very high	8 Å²	8	68.4 Å²	68.4	7%	0.066	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.4	0	0	0	0	0	112.1	Y159 L160 V163 A345 V346 K347 E351 K352 V353	Y159-A349 HydrophobicContact CD1-CB 4.42Å; Y159-A349 HydrophobicContact CE1-CB 3.93Å; L160-A349 HydrophobicContact CD2-CB 3.65Å; V163-A349 HydrophobicContact CG1-CB 4.45Å; V163-A349 HydrophobicContact CG2-CB 3.9Å; A345-A349 WeakPolarHBondContact O-CB 3.38Å; A345-A349 PolarHBondContact O-N 3.28Å; V346-A349 WeakPolarHBondContact O-CB 3.33Å; V346-A349 PolarHBondContact O-N 3.06Å; K347-A349 VanDerWaalsContact C-N 3.31Å; K347-A349 PolarHBondContact O-N 3.25Å; A349-E351 VanDerWaalsContact C-N 3.33Å; A349-E351 PolarHBondContact O-N 2.83Å; A349-K352 PolarHBondContact O-N 3.02Å; A349-V353 WeakPolarHBondContact O-CG2 3.18Å; A349-V353 PolarHBondContact O-N 3.16Å
350	K	98.8	Very high	98.2	Very high	62 Å²	62	66.3 Å²	66.3	27%	0.27	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-43	178.7	-179.5	173.3	-179.2	174.3	0	111.7	L160 L326 D332 V346 K347 S354	L160-K350 HydrophobicContact CD1-CB 3.91Å; L160-K350 HydrophobicContact CD1-CD 4.3Å; L160-K350 HydrophobicContact CD1-CG 4.16Å; L160-K350 HydrophobicContact CD2-CB 3.99Å; L326-K350 HydrophobicContact CD1-CG 4.39Å; L326-K350 HydrophobicContact CD2-CG 4.34Å; D332-K350 WeakPolarHBondContact OD1-CE 3.1Å; D332-K350 IonicContact OD1-NZ 2.83Å; D332-K350 PolarHBondContact OD1-NZ 3.17Å; D332-K350 IonicContact OD2-NZ 3.18Å; D332-K350 PolarHBondContact OD2-NZ 2.97Å; V346-K350 WeakPolarHBondContact O-CB 3.26Å; V346-K350 PolarHBondContact O-N 3.48Å; K347-K350 PolarHBondContact O-N 3.16Å; K350-S354 WeakPolarHBondContact O-CB 2.98Å; K350-S354 PolarHBondContact O-N 3.45Å; K350-S354 PolarHBondContact O-OG 3.15Å
351	E	98.6	Very high	98.2	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-47.4	176.5	-73.2	172.9	-176.3	0	0	111.2	K347 E348 A349 S354 A355	K347-E351 WeakPolarHBondContact CE-OE1 3.33Å; K347-E351 WeakPolarHBondContact O-CG 3.32Å; K347-E351 PolarHBondContact O-N 3.14Å; E348-E351 PolarHBondContact O-N 3.48Å; A349-E351 VanDerWaalsContact C-N 3.33Å; A349-E351 PolarHBondContact O-N 2.83Å; E351-S354 PolarHBondContact O-N 2.82Å; E351-A355 VanDerWaalsContact O-CB 3.27Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.02Å
352	K	98.7	Very high	98.2	Very high	78 Å²	78	60.8 Å²	60.8	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-42.5	179.5	-73.5	175.3	174.2	174.3	0	113.5	E348 A349 G356 D357 I358	E348-K352 HydrophobicContact CG-CD 4.45Å; E348-K352 WeakPolarHBondContact O-CG 3.45Å; E348-K352 PolarHBondContact O-N 3.31Å; E348-K352 VanDerWaalsContact O-N 3.12Å; E348-K352 WeakPolarHBondContact OE1-CE 3.21Å; E348-K352 IonicContact OE1-NZ 3.59Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å; A349-K352 PolarHBondContact O-N 3.02Å; K352-G356 PolarHBondContact O-N 3.36Å; K352-D357 HydrophobicContact CB-CB 4.23Å; K352-D357 PolarHBondContact O-N 3.32Å; K352-I358 HydrophobicContact CB-CD1 3.64Å; K352-I358 HydrophobicContact CB-CG1 3.92Å; K352-I358 HydrophobicContact CD-CD1 3.91Å; K352-I358 HydrophobicContact CG-CD1 4.43Å; K352-I358 PolarHBondContact O-N 2.93Å
353	V	98.7	Very high	98.1	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.03	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-45.5	176.4	176.7	0	0	0	0	110.2	E156 Y159 L326 A349 A355 G356 I358 V360	E156-V353 HydrophobicContact CB-CG1 3.95Å; E156-V353 HydrophobicContact CG-CG1 3.73Å; Y159-V353 HydrophobicContact CD1-CG2 3.88Å; Y159-V353 HydrophobicContact CE1-CG2 4.13Å; Y159-V353 HydrophobicContact CG-CG2 4.5Å; L326-V353 HydrophobicContact CD1-CB 3.98Å; L326-V353 HydrophobicContact CD1-CG1 3.74Å; A349-V353 WeakPolarHBondContact O-CG2 3.18Å; A349-V353 PolarHBondContact O-N 3.16Å; V353-A355 VanDerWaalsContact C-N 3.3Å; V353-A355 PolarHBondContact O-N 2.89Å; V353-G356 PolarHBondContact O-N 2.97Å; V353-I358 HydrophobicContact CG2-CB 3.91Å; V353-I358 HydrophobicContact CG2-CG2 3.95Å; V353-V360 HydrophobicContact CG1-CG2 3.94Å; V353-V360 HydrophobicContact CG2-CG2 3.85Å
354	S	97.7	Very high	97.9	Very high	36 Å²	36	63.6 Å²	63.6	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-33.3	179	-57.9	0	0	0	0	113	K350 E351 G356	K350-S354 WeakPolarHBondContact O-CB 2.98Å; K350-S354 PolarHBondContact O-N 3.45Å; K350-S354 PolarHBondContact O-OG 3.15Å; E351-S354 PolarHBondContact O-N 2.82Å; S354-G356 VanDerWaalsContact C-N 3.29Å
355	A	97.2	Very high	97.3	Very high	68 Å²	68	67.5 Å²	67.5	56%	0.562	36%	0.358	S	S	*	.	H	α-helix	trans	-74.5	-17.7	174.4	0	0	0	0	0	113.2	E351 V353	E351-A355 VanDerWaalsContact O-CB 3.27Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.02Å; V353-A355 VanDerWaalsContact C-N 3.3Å; V353-A355 PolarHBondContact O-N 2.89Å
356	G	95.9	Very high	95.7	Very high	42 Å²	42	80.3 Å²	80.3	43%	0.433	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	10.5	-174.5	0	0	0	0	0	114.2	K352 V353 S354 I358	K352-G356 PolarHBondContact O-N 3.36Å; V353-G356 PolarHBondContact O-N 2.97Å; S354-G356 VanDerWaalsContact C-N 3.29Å; G356-I358 VanDerWaalsContact C-N 3.29Å
357	D	97.8	Very high	95.5	Very high	130 Å²	130	83.6 Å²	83.6	70%	0.695	43%	0.428	S	S	*	.	S	Bend	trans	-69.6	-31.2	174.7	-64.8	-27.9	0	0	0	111.2	K352	K352-D357 HydrophobicContact CB-CB 4.23Å; K352-D357 PolarHBondContact O-N 3.32Å
358	I	97.4	Very high	95.3	Very high	38 Å²	38	81.1 Å²	81.1	20%	0.195	42%	0.421	C	S	.	.	S	Bend	trans	-111.9	118.8	169.5	-64.1	171.8	0	0	0	108	Y159 K352 V353 G356 V360	Y159-I358 HydrophobicContact CE1-CD1 4.3Å; Y159-I358 HydrophobicContact CE1-CG2 4.49Å; Y159-I358 HydrophobicContact CE2-CG2 4.1Å; K352-I358 HydrophobicContact CB-CD1 3.64Å; K352-I358 HydrophobicContact CB-CG1 3.92Å; K352-I358 HydrophobicContact CD-CD1 3.91Å; K352-I358 HydrophobicContact CG-CD1 4.43Å; K352-I358 PolarHBondContact O-N 2.93Å; V353-I358 HydrophobicContact CG2-CB 3.91Å; V353-I358 HydrophobicContact CG2-CG2 3.95Å; G356-I358 VanDerWaalsContact C-N 3.29Å; I358-V360 HydrophobicContact CG2-CG2 4.14Å
359	K	96.4	Very high	95.2	Very high	188 Å²	188	81.6 Å²	81.6	82%	0.817	43%	0.425	S	S	*	.			trans	-95.3	109.3	169.3	-70.5	-174.9	179	-176.9	0	108.8
360	V	98.4	Very high	94.9	Very high	17 Å²	17	85.9 Å²	85.9	10%	0.103	45%	0.446	C	S	.	.			trans	-79.8	131.9	-179.7	-172.1	0	0	0	0	109.6	Q155 Y159 V353 I358	Q155-V360 HydrophobicContact CB-CB 4.45Å; Q155-V360 HydrophobicContact CB-CG1 3.78Å; Q155-V360 HydrophobicContact CG-CB 3.83Å; Q155-V360 HydrophobicContact CG-CG1 3.72Å; Q155-V360 WeakPolarHBondContact O-CG1 3.29Å; Y159-V360 HydrophobicContact CD2-CG1 4.08Å; Y159-V360 HydrophobicContact CD2-CG2 3.91Å; Y159-V360 HydrophobicContact CG-CG1 4.32Å; Y159-V360 HydrophobicContact CG-CG2 3.83Å; V353-V360 HydrophobicContact CG1-CG2 3.94Å; V353-V360 HydrophobicContact CG2-CG2 3.85Å; I358-V360 HydrophobicContact CG2-CG2 4.14Å
361	P	98.1	Very high	94.7	Very high	42 Å²	42	87.4 Å²	87.4	27%	0.273	46%	0.457	S	S	.	.			trans	-66.5	148.9	177.6	28.7	-35.5	0	0	0	111.6	Q155 A190 Q194	Q155-P361 VanDerWaalsContact CB-O 3.3Å; Q155-P361 WeakPolarHBondContact CB-O 3.46Å; Q155-P361 WeakPolarHBondContact CG-O 3.12Å; A190-P361 HydrophobicContact CB-CB 4.41Å; A190-P361 HydrophobicContact CB-CG 4.25Å; A190-P361 WeakPolarHBondContact CB-O 3.33Å; Q194-P361 HydrophobicContact CB-CG 3.86Å; Q194-P361 HydrophobicContact CG-CG 4.06Å
362	E	97.9	Very high	94.4	Very high	105 Å²	105	85.7 Å²	85.7	49%	0.491	45%	0.453	S	S	.	.	S	Bend	trans	-99	-7.2	177.4	-71.4	-175.4	-159.3	0	0	113.3	Q155 D186 R187	Q155-E362 HydrophobicContact CG-CG 4.05Å; Q155-E362 PolarHBondContact NE2-OE1 3.43Å; D186-E362 CarbonylContact C-O 3.56Å; R187-E362 WeakPolarHBondContact CA-O 3.36Å; R187-E362 HydrophobicContact CG-CB 3.87Å; R187-E362 HydrophobicContact CG-CG 4.12Å; R187-E362 WeakPolarHBondContact CG-O 3.48Å; R187-E362 PolarHBondContact N-O 3.05Å
363	T	97.6	Very high	94.1	Very high	91 Å²	91	86.3 Å²	86.3	56%	0.558	46%	0.461	S	S	*	.	S	Bend	trans	-135.5	139.5	-178.9	58.1	0	0	0	0	110.2
364	P	94.6	Very high	93.8	Very high	27 Å²	27	92.5 Å²	92.5	18%	0.175	49%	0.494	C	S	.	.			trans	-59.3	146.8	178.1	-25.8	35.1	0	0	0	113	D186 E189 A190 K366	D186-P364 HydrophobicContact CB-CG 4.49Å; E189-P364 HydrophobicContact CB-CG 3.99Å; E189-P364 HydrophobicContact CG-CB 4.36Å; E189-P364 HydrophobicContact CG-CG 3.84Å; E189-P364 WeakPolarHBondContact OE1-CB 3.48Å; E189-P364 WeakPolarHBondContact OE1-CG 3.45Å; A190-P364 HydrophobicContact CB-CG 4.4Å; P364-K366 PolarHBondContact O-N 2.78Å
365	E	86.5	Confident	93.5	Very high	141 Å²	141	97.3 Å²	97.3	66%	0.659	51%	0.514	S	S	*	.			trans	-70.5	122.3	167.3	-67.1	-177.4	166.4	0	0	108.3	K197	K197-E365 IonicContact NZ-OE1 3.25Å; K197-E365 PolarHBondContact NZ-OE1 3.07Å; K197-E365 IonicContact NZ-OE2 2.66Å; K197-E365 PolarHBondContact NZ-OE2 2.81Å
366	K	63.8	Low	93.1	Very high	278 Å²	278	99.9 Å²	99.9	100%	1.209	51%	0.51	S	S	*	.			trans	-91.3	0	179.1	-70.4	-172.1	179.1	-177.7	0	113.3	P364	P364-K366 PolarHBondContact O-N 2.78Å

Retrieved 366 of 366 residues in 111 ms (Link to these results)

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