A0A087YIR0_POEFO Loading...

C-terminal-binding protein 2

AlphaFold DB , UniProt , Accession A0A087YIR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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	36.7	Very low	39.6	Very low	249 Å²	249	147.3 Å²	147.3	100%	1.227	73%	0.732	S	S	*	*				0	116.7	0	-84.1	169.8	153.7	0	0	106.3
2	A	37.4	Very low	39.3	Very low	90 Å²	90	146.1 Å²	146.1	74%	0.744	72%	0.723	S	S	*	*			cis	-136.9	132	38.1	0	0	0	0	0	111.9	V4	A2-V4 PolarHBondContact O-N 2.81Å
3	L	35.4	Very low	39.1	Very low	177 Å²	177	149.7 Å²	149.7	93%	0.927	72%	0.724	S	S	*	*			trans	-67	105.5	160	-85.5	129.6	0	0	0	107	D5	L3-D5 PolarHBondContact O-N 2.69Å
4	V	42.3	Very low	38.8	Very low	115 Å²	115	146.4 Å²	146.4	70%	0.697	71%	0.711	S	S	*	*			trans	-66.4	117	166.2	178.7	0	0	0	0	106.8	A2 K6	A2-V4 PolarHBondContact O-N 2.81Å; V4-K6 PolarHBondContact O-N 2.89Å
5	D	44.8	Very low	38.3	Very low	87 Å²	87	142.5 Å²	142.5	47%	0.465	69%	0.694	S	S	.	*			trans	-58.5	100	-173.2	-170.1	-2.7	0	0	0	111.2	L3 H7 K8	L3-D5 PolarHBondContact O-N 2.69Å; D5-H7 PolarHBondContact O-N 3.49Å; D5-H7 WeakPolarHBondContact OD1-CB 3.44Å; D5-H7 PolarHBondContact OD1-N 2.99Å; D5-K8 HydrophobicContact CB-CB 4.43Å; D5-K8 PolarHBondContact O-N 3.34Å
6	K	41.6	Very low	38.2	Very low	184 Å²	184	146 Å²	146	80%	0.8	70%	0.698	S	S	*	*	H	α-helix	trans	-59	-17.9	179.4	-73.7	-176.7	177.7	178.9	0	112.3	V4 K10	V4-K6 PolarHBondContact O-N 2.89Å; K6-K10 PolarHBondContact O-N 3.4Å
7	H	42.8	Very low	38.1	Very low	148 Å²	148	143.9 Å²	143.9	69%	0.685	69%	0.69	S	S	*	*	H	α-helix	trans	-75.3	-34.2	173.7	-77.5	-56.1	0	0	0	113	D5 K10 R11	D5-H7 PolarHBondContact O-N 3.49Å; D5-H7 WeakPolarHBondContact OD1-CB 3.44Å; D5-H7 PolarHBondContact OD1-N 2.99Å; H7-K10 PolarHBondContact O-N 3.41Å; H7-R11 WeakPolarHBondContact O-CB 3.44Å; H7-R11 PolarHBondContact O-N 3.15Å
8	K	37.6	Very low	37.9	Very low	154 Å²	154	140.6 Å²	140.6	67%	0.67	68%	0.684	S	S	*	*	H	α-helix	trans	-66.8	-40.5	176.7	-111	-179	177.3	179.9	0	112.4	D5 R11 Q12	D5-K8 HydrophobicContact CB-CB 4.43Å; D5-K8 PolarHBondContact O-N 3.34Å; K8-R11 PolarHBondContact O-N 3.43Å; K8-Q12 PolarHBondContact O-N 2.93Å; K8-Q12 VanDerWaalsContact O-N 3.07Å
9	V	40.3	Very low	37.7	Very low	82 Å²	82	141.5 Å²	141.5	50%	0.497	69%	0.686	S	S	.	*	H	α-helix	trans	-70.3	-37.5	178.6	-177.4	0	0	0	0	111.4	R13	V9-R13 WeakPolarHBondContact O-CB 3.3Å; V9-R13 PolarHBondContact O-N 3.25Å
10	K	39.7	Very low	37.4	Very low	148 Å²	148	137.8 Å²	137.8	64%	0.643	69%	0.687	S	S	*	*	H	α-helix	trans	-67.1	-38.8	173.5	-101.2	-174.4	173.8	-175.4	0	112.4	K6 H7 R13 L14	K6-K10 PolarHBondContact O-N 3.4Å; H7-K10 PolarHBondContact O-N 3.41Å; K10-R13 PolarHBondContact O-N 3.21Å; K10-L14 PolarHBondContact O-N 3.49Å
11	R	36.6	Very low	37.6	Very low	186 Å²	186	137.2 Å²	137.2	70%	0.702	69%	0.685	S	S	*	*	H	α-helix	trans	-66.7	-47.7	179.1	-137.9	172.9	-173.7	175	0.3	111.7	H7 K8 R13 L14 D15	H7-R11 WeakPolarHBondContact O-CB 3.44Å; H7-R11 PolarHBondContact O-N 3.15Å; K8-R11 PolarHBondContact O-N 3.43Å; R11-R13 PolarHBondContact O-N 3.18Å; R11-L14 PolarHBondContact O-N 3.37Å; R11-L14 VanDerWaalsContact O-N 3.11Å; R11-D15 WeakPolarHBondContact O-CB 3.37Å; R11-D15 PolarHBondContact O-N 2.72Å; R11-D15 VanDerWaalsContact O-OD2 3.14Å
12	Q	36.9	Very low	38	Very low	133 Å²	133	128.7 Å²	128.7	62%	0.621	64%	0.639	S	S	*	*	H	α-helix	trans	-59.3	-31.9	173.1	-83.9	-177.7	-25.6	0	0	113.7	K8 R16	K8-Q12 PolarHBondContact O-N 2.93Å; K8-Q12 VanDerWaalsContact O-N 3.07Å; Q12-R16 WeakPolarHBondContact O-CG 3.47Å; Q12-R16 PolarHBondContact O-N 3.06Å
13	R	35.9	Very low	38.3	Very low	193 Å²	193	128.7 Å²	128.7	73%	0.728	63%	0.631	S	S	*	*	H	α-helix	trans	-78.8	-29.1	178.2	-154.8	176.8	-173.7	-173	1.3	112.6	V9 K10 R11 I17	V9-R13 WeakPolarHBondContact O-CB 3.3Å; V9-R13 PolarHBondContact O-N 3.25Å; K10-R13 PolarHBondContact O-N 3.21Å; R11-R13 PolarHBondContact O-N 3.18Å; R13-I17 VanDerWaalsContact O-CD1 3.27Å; R13-I17 WeakPolarHBondContact O-CD1 3.33Å; R13-I17 VanDerWaalsContact O-CG1 3.24Å; R13-I17 WeakPolarHBondContact O-CG1 3.27Å
14	L	34.7	Very low	39.1	Very low	104 Å²	104	125.2 Å²	125.2	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-77.7	-38.3	172.3	-99	135.6	0	0	0	112	K10 R11 I17 C18	K10-L14 PolarHBondContact O-N 3.49Å; R11-L14 PolarHBondContact O-N 3.37Å; R11-L14 VanDerWaalsContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.41Å; L14-I17 VanDerWaalsContact O-N 3.13Å; L14-C18 PolarHBondContact O-N 2.94Å; L14-C18 PolarHBondContact O-SG 3.29Å
15	D	32.4	Very low	39.6	Very low	87 Å²	87	121.3 Å²	121.3	47%	0.465	59%	0.585	S	S	.	*	H	α-helix	trans	-64.3	-40.4	176.4	-64.6	-27.5	0	0	0	110.7	R11 I17 C18 E19	R11-D15 WeakPolarHBondContact O-CB 3.37Å; R11-D15 PolarHBondContact O-N 2.72Å; R11-D15 VanDerWaalsContact O-OD2 3.14Å; D15-I17 VanDerWaalsContact C-N 3.28Å; D15-I17 PolarHBondContact O-N 3.29Å; D15-C18 PolarHBondContact O-N 3.2Å; D15-C18 VanDerWaalsContact O-N 3.12Å; D15-E19 WeakPolarHBondContact O-CG 3.3Å; D15-E19 PolarHBondContact O-N 2.86Å
16	R	36.1	Very low	39.9	Very low	199 Å²	199	123.3 Å²	123.3	75%	0.751	59%	0.593	S	S	*	*	H	α-helix	trans	-65.9	-23.2	172.4	-79.7	-174.2	-177.1	-164.7	1.1	115	Q12	Q12-R16 WeakPolarHBondContact O-CG 3.47Å; Q12-R16 PolarHBondContact O-N 3.06Å
17	I	36.5	Very low	40.6	Very low	111 Å²	111	119.5 Å²	119.5	57%	0.569	58%	0.582	S	S	*	*	H	α-helix	trans	-81	-25.3	175.2	-68.6	166	0	0	0	110.4	R13 L14 D15	R13-I17 VanDerWaalsContact O-CD1 3.27Å; R13-I17 WeakPolarHBondContact O-CD1 3.33Å; R13-I17 VanDerWaalsContact O-CG1 3.24Å; R13-I17 WeakPolarHBondContact O-CG1 3.27Å; L14-I17 PolarHBondContact O-N 3.41Å; L14-I17 VanDerWaalsContact O-N 3.13Å; D15-I17 VanDerWaalsContact C-N 3.28Å; D15-I17 PolarHBondContact O-N 3.29Å
18	C	33.8	Very low	40.9	Very low	84 Å²	84	114 Å²	114	57%	0.568	57%	0.565	S	S	*	*	H	α-helix	trans	-89.2	-23.3	177.8	-59.8	0	0	0	0	113.3	L14 D15 G20 I21	L14-C18 PolarHBondContact O-N 2.94Å; L14-C18 PolarHBondContact O-SG 3.29Å; D15-C18 PolarHBondContact O-N 3.2Å; D15-C18 VanDerWaalsContact O-N 3.12Å; C18-G20 PolarHBondContact O-N 2.98Å; C18-I21 PolarHBondContact O-N 2.64Å
19	E	34.7	Very low	41.5	Very low	158 Å²	158	113.3 Å²	113.3	74%	0.738	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-17.4	177.6	-81.1	175	166.8	0	0	114.2	D15	D15-E19 WeakPolarHBondContact O-CG 3.3Å; D15-E19 PolarHBondContact O-N 2.86Å
20	G	32.7	Very low	42.6	Very low	67 Å²	67	112.4 Å²	112.4	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-4.3	-179	0	0	0	0	0	115.5	C18	C18-G20 PolarHBondContact O-N 2.98Å
21	I	41	Very low	43.7	Very low	126 Å²	126	112.9 Å²	112.9	65%	0.646	57%	0.572	S	S	*	*			trans	-103.6	96.1	-176.3	-55.5	175.3	0	0	0	107.8	C18	C18-I21 PolarHBondContact O-N 2.64Å
22	R	44	Very low	45.2	Very low	69 Å²	69	109.7 Å²	109.7	26%	0.26	58%	0.575	S	S	.	*			trans	-53.4	129.4	167.2	-154.6	175.8	-172.2	-144.2	10	107.4	Q24 F95 K96 L98 L119	R22-Q24 PolarHBondContact O-N 3.16Å; R22-F95 PolarHBondContact NH2-O 2.89Å; R22-K96 PolarHBondContact NE-O 3.34Å; R22-K96 PolarHBondContact NH2-O 3.04Å; R22-K96 VanDerWaalsContact NH2-O 3.07Å; R22-L98 PolarHBondContact NH1-O 3.3Å; R22-L98 PolarHBondContact NH2-O 2.99Å; R22-L119 PolarHBondContact NH1-O 3.02Å
23	P	44	Very low	47.8	Very low	91 Å²	91	110.3 Å²	110.3	59%	0.591	57%	0.572	S	S	*	*			trans	-54.7	133	176.3	19	-28.3	0	0	0	108.6	M26	P23-M26 HydrophobicContact CB-CG 4.44Å; P23-M26 HydrophobicContact CG-SD 4.39Å
24	Q	52.7	Low	50.6	Low	103 Å²	103	101.4 Å²	101.4	48%	0.481	54%	0.539	S	S	.	.	S	Bend	trans	-45.4	144	175.9	-77.1	-176.7	-46.9	0	0	109.9	R22 M26 V363 T365	R22-Q24 PolarHBondContact O-N 3.16Å; Q24-M26 PolarHBondContact O-N 3.29Å; Q24-V363 PolarHBondContact NE2-O 2.94Å; Q24-T365 VanDerWaalsContact CD-OG1 3.31Å; Q24-T365 VanDerWaalsContact NE2-CG2 3.27Å; Q24-T365 PolarHBondContact NE2-OG1 3.45Å; Q24-T365 PolarHBondContact OE1-OG1 2.83Å
25	I	53.1	Low	53.6	Low	33 Å²	33	97.4 Å²	97.4	17%	0.169	52%	0.518	C	S	.	.			trans	-19.2	98.7	177.4	-56.7	173.3	0	0	0	109.6	N27 I349 F362	I25-N27 PolarHBondContact O-N 3.1Å; I25-I349 HydrophobicContact CD1-CG2 4.17Å; I25-F362 HydrophobicContact CD1-CD1 3.64Å; I25-F362 HydrophobicContact CD1-CE1 3.3Å; I25-F362 HydrophobicContact CD1-CZ 4.39Å; I25-F362 HydrophobicContact CG1-CD1 4.47Å; I25-F362 HydrophobicContact CG1-CE1 4.1Å
26	M	50.4	Low	56.8	Low	130 Å²	130	93.3 Å²	93.3	64%	0.64	50%	0.496	S	S	*	.			trans	-68.4	96.3	179.4	-72.5	-171.9	72.8	0	0	106.2	P23 Q24 G28 R99	P23-M26 HydrophobicContact CB-CG 4.44Å; P23-M26 HydrophobicContact CG-SD 4.39Å; Q24-M26 PolarHBondContact O-N 3.29Å; M26-G28 PolarHBondContact O-N 3.37Å; M26-R99 VanDerWaalsContact O-CZ 3.26Å; M26-R99 PolarHBondContact O-NH1 3.24Å; M26-R99 PolarHBondContact O-NH2 3.16Å
27	N	56.1	Low	59.7	Low	103 Å²	103	83.9 Å²	83.9	55%	0.551	46%	0.46	S	S	*	.			trans	-68.7	20.3	167.6	-74.3	-34.2	0	0	0	111.4	I25 R99	I25-N27 PolarHBondContact O-N 3.1Å; N27-R99 PolarHBondContact OD1-NH2 2.85Å; N27-R99 VanDerWaalsContact OD1-NH2 3.13Å
28	G	50	Low	62.7	Low	33 Å²	33	78.6 Å²	78.6	34%	0.34	43%	0.433	S	S	.	.	S	Bend	trans	-77.4	170.1	175.2	0	0	0	0	0	112.2	M26 M30	M26-G28 PolarHBondContact O-N 3.37Å; G28-M30 PolarHBondContact O-N 3.38Å
29	P	49.7	Very low	65.8	Low	140 Å²	140	74.6 Å²	74.6	91%	0.909	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-58.2	123.8	-178.8	22.6	-31.2	0	0	0	110.6
30	M	62.7	Low	68.8	Low	63 Å²	63	67.6 Å²	67.6	31%	0.31	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-69.7	152.5	174	-89	175	-71.4	0	0	110.9	G28 P34 V77 I345	G28-M30 PolarHBondContact O-N 3.38Å; M30-P34 HydrophobicContact SD-CG 4.36Å; M30-V77 HydrophobicContact SD-CG1 4.18Å; M30-I345 HydrophobicContact CE-CB 4.44Å; M30-I345 HydrophobicContact CE-CG2 3.99Å; M30-I345 WeakPolarHBondContact CE-O 3.48Å; M30-I345 HydrophobicContact SD-CG2 4.23Å
31	H	63.4	Low	71.9	Confident	157 Å²	157	64.9 Å²	64.9	73%	0.727	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-50	146.7	167.8	-138.7	-93.7	0	0	0	109.3	R33 P34	H31-R33 PolarHBondContact O-N 3.33Å; H31-P34 WeakPolarHBondContact O-CD 3.38Å
32	P	69.2	Low	74.5	Confident	119 Å²	119	66.4 Å²	66.4	77%	0.773	34%	0.343	S	S	*	.	S	Bend	trans	-55	-23.3	-170.9	-27.2	34.4	0	0	0	114.8
33	R	90.3	Very high	77.1	Confident	146 Å²	146	66.5 Å²	66.5	55%	0.551	35%	0.349	S	S	*	.	S	Bend	trans	-143.3	93.3	170.1	-75.6	-172	152.1	177.5	-10.4	110.2	H31 K52	H31-R33 PolarHBondContact O-N 3.33Å; R33-K52 PolarHBondContact NH2-O 2.99Å
34	P	95.6	Very high	79.6	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.039	32%	0.323	C	S	.	.			trans	-59.3	149.1	175	25.3	-36.3	0	0	0	111.8	M30 H31 L54 A55 T56 V77 I345	M30-P34 HydrophobicContact SD-CG 4.36Å; H31-P34 WeakPolarHBondContact O-CD 3.38Å; P34-L54 WeakPolarHBondContact CD-O 3.26Å; P34-A55 HydrophobicContact CG-CB 4.34Å; P34-A55 WeakPolarHBondContact O-CA 3.34Å; P34-A55 WeakPolarHBondContact O-CB 3.23Å; P34-T56 PolarHBondContact O-N 2.63Å; P34-V77 HydrophobicContact CB-CB 3.92Å; P34-V77 HydrophobicContact CB-CG1 4.39Å; P34-V77 HydrophobicContact CB-CG2 3.83Å; P34-I345 HydrophobicContact CG-CD1 3.99Å; P34-I345 HydrophobicContact CG-CG1 4.3Å; P34-I345 HydrophobicContact CG-CG2 4.14Å
35	L	97.8	Very high	81.8	Confident	21 Å²	21	62 Å²	62	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.6	172.4	177.2	63.6	0	0	0	109.9	T56 A58 V72 E75 A76 V77 G78	L35-T56 HydrophobicContact CD1-CG2 4.31Å; L35-A58 HydrophobicContact CD1-CB 3.97Å; L35-V72 HydrophobicContact CD2-CG2 4.34Å; L35-E75 HydrophobicContact CD2-CB 4.2Å; L35-A76 HydrophobicContact CD2-CB 4.26Å; L35-A76 HydrophobicContact CG-CB 4.34Å; L35-V77 PolarHBondContact O-N 2.71Å; L35-G78 PolarHBondContact O-N 2.61Å
36	V	98.5	Very high	84	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.4	170.7	178.3	0	0	0	0	108.3	L51 A55 T56 V57 A58 G78 M80 I341 I345	V36-L51 HydrophobicContact CG1-CD1 4.39Å; V36-A55 HydrophobicContact CG2-CB 3.79Å; V36-T56 PolarHBondContact N-O 3.45Å; V36-V57 WeakPolarHBondContact O-CA 3.27Å; V36-A58 PolarHBondContact O-N 3.1Å; V36-G78 VanDerWaalsContact CA-O 3.28Å; V36-G78 WeakPolarHBondContact CA-O 3.34Å; V36-M80 HydrophobicContact CG1-CE 4.03Å; V36-I341 HydrophobicContact CG1-CD1 4.25Å; V36-I341 HydrophobicContact CG1-CG1 4.24Å; V36-I341 HydrophobicContact CG1-CG2 4.04Å; V36-I341 HydrophobicContact CG2-CG2 3.72Å; V36-I345 HydrophobicContact CG2-CD1 3.98Å
37	A	98.6	Very high	86.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.6	-176.9	0	0	0	0	0	112.1	L39 A58 V72 A76 G78 A79 M80	A37-L39 HydrophobicContact CB-CD2 4.02Å; A37-A58 CarbonylContact C-O 3.5Å; A37-A58 WeakPolarHBondContact CA-O 3.34Å; A37-V72 HydrophobicContact CB-CG1 3.59Å; A37-V72 HydrophobicContact CB-CG2 4.46Å; A37-A76 HydrophobicContact CB-CB 4.48Å; A37-G78 PolarHBondContact N-O 3.27Å; A37-A79 CarbonylContact O-C 3.16Å; A37-A79 VanDerWaalsContact O-CA 3.28Å; A37-A79 WeakPolarHBondContact O-CA 3.47Å; A37-M80 PolarHBondContact O-N 2.98Å
38	L	98.8	Very high	88.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.8	161.1	178	62.5	0	0	0	108.5	D43 C44 A58 F59 C60 M80 Y82 I104	L38-D43 VanDerWaalsContact CD2-O 3.22Å; L38-D43 WeakPolarHBondContact CD2-O 3.38Å; L38-C44 VanDerWaalsContact CD2-SG 3.58Å; L38-A58 PolarHBondContact N-O 2.97Å; L38-F59 HydrophobicContact CB-CB 4.15Å; L38-F59 CarbonylContact O-C 3.08Å; L38-F59 VanDerWaalsContact O-CA 3.3Å; L38-F59 WeakPolarHBondContact O-CA 3.45Å; L38-C60 PolarHBondContact O-N 3.24Å; L38-M80 WeakPolarHBondContact CA-O 3.23Å; L38-M80 HydrophobicContact CD1-CB 4.09Å; L38-Y82 HydrophobicContact CD1-CD2 4.28Å; L38-Y82 HydrophobicContact CD1-CE2 3.86Å; L38-I104 HydrophobicContact CD1-CD1 3.95Å
39	L	98.7	Very high	90.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-73.2	-55.2	-167.6	-57	-173.5	0	0	0	112.6	A37 C60 D61 A62 I68 V72 A79 M80 M81 I85 L87 F95	A37-L39 HydrophobicContact CB-CD2 4.02Å; L39-C60 VanDerWaalsContact O-CB 3.31Å; L39-C60 WeakPolarHBondContact O-CB 3.38Å; L39-D61 PolarHBondContact O-N 3.34Å; L39-A62 PolarHBondContact O-N 2.99Å; L39-I68 HydrophobicContact CD1-CD1 4.45Å; L39-I68 HydrophobicContact CD2-CD1 4.25Å; L39-V72 HydrophobicContact CD2-CG1 4.46Å; L39-A79 HydrophobicContact CD1-CB 4.11Å; L39-A79 HydrophobicContact CD2-CB 4.16Å; L39-A79 HydrophobicContact CG-CB 4.12Å; L39-M80 PolarHBondContact N-O 3.44Å; L39-M81 HydrophobicContact CB-CB 4.18Å; L39-M81 HydrophobicContact CD1-CB 4.23Å; L39-M81 HydrophobicContact CD1-SD 4.14Å; L39-M81 HydrophobicContact CG-CB 4.34Å; L39-I85 HydrophobicContact CB-CD1 4.49Å; L39-I85 HydrophobicContact CB-CG2 4.35Å; L39-L87 HydrophobicContact CD1-CD1 4.11Å; L39-F95 HydrophobicContact CD1-CZ 4.37Å; L39-F95 HydrophobicContact CD2-CZ 4.49Å
40	D	98.3	Very high	92.8	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	-112.9	28.6	-168.5	61.7	-21	0	0	0	112.5	A62 M81 Y82 T84 I85	D40-A62 WeakPolarHBondContact CA-O 3.42Å; D40-A62 WeakPolarHBondContact CB-O 3.21Å; D40-M81 WeakPolarHBondContact OD1-CA 3.37Å; D40-M81 WeakPolarHBondContact OD1-CB 3.3Å; D40-Y82 VanDerWaalsContact CG-N 3.28Å; D40-Y82 PolarHBondContact OD1-N 3.44Å; D40-Y82 VanDerWaalsContact OD2-CA 3.28Å; D40-Y82 WeakPolarHBondContact OD2-CA 3.43Å; D40-Y82 WeakPolarHBondContact OD2-CB 3.49Å; D40-Y82 PolarHBondContact OD2-N 3.25Å; D40-T84 WeakPolarHBondContact CB-OG1 3.49Å; D40-T84 PolarHBondContact OD2-N 3.07Å; D40-T84 PolarHBondContact OD2-OG1 3.4Å; D40-I85 HydrophobicContact CB-CB 3.89Å; D40-I85 HydrophobicContact CB-CG2 3.69Å; D40-I85 PolarHBondContact OD2-N 3.36Å
41	G	96.9	Very high	94.5	Very high	9 Å²	9	48.6 Å²	48.6	9%	0.093	25%	0.248	C	C	.	.			trans	-139.2	164.8	174.9	0	0	0	0	0	111.9	F59 D61	G41-F59 WeakPolarHBondContact O-CB 3.21Å; G41-D61 PolarHBondContact O-N 2.87Å
42	R	96.7	Very high	96	Very high	158 Å²	158	47.9 Å²	47.9	60%	0.596	24%	0.242	S	C	*	.	S	Bend	trans	-111.8	-33.6	179.7	-164.9	-176.3	-55.5	128.7	9	113.1	F59 D61	R42-F59 HydrophobicContact CB-CD2 4.42Å; R42-F59 HydrophobicContact CG-CD2 4.06Å; R42-F59 HydrophobicContact CG-CE2 3.67Å; R42-F59 HydrophobicContact CG-CZ 4.08Å; R42-F59 WeakPolarHBondContact O-CD1 3.23Å; R42-F59 WeakPolarHBondContact O-CG 3.31Å; R42-D61 HydrophobicContact CB-CB 4.45Å; R42-D61 IonicContact CZ-OD2 3.2Å; R42-D61 IonicContact NE-OD1 3.04Å; R42-D61 IonicContact NE-OD2 2.83Å; R42-D61 PolarHBondContact NE-OD2 2.73Å; R42-D61 IonicContact NH2-OD1 2.8Å; R42-D61 PolarHBondContact NH2-OD1 3.15Å; R42-D61 IonicContact NH2-OD2 2.71Å; R42-D61 PolarHBondContact NH2-OD2 3.39Å
43	D	97.8	Very high	97.2	Very high	72 Å²	72	46.3 Å²	46.3	39%	0.385	23%	0.227	S	C	.	.			trans	-85.7	118.4	-178.1	177.7	9.9	0	0	0	110.5	L38 T45 R334	L38-D43 VanDerWaalsContact CD2-O 3.22Å; L38-D43 WeakPolarHBondContact CD2-O 3.38Å; D43-T45 VanDerWaalsContact OD1-CB 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.4Å; D43-T45 WeakPolarHBondContact OD1-CG2 3.5Å; D43-T45 PolarHBondContact OD1-N 2.76Å; D43-T45 PolarHBondContact OD1-OG1 2.94Å; D43-T45 PolarHBondContact OD2-OG1 3.29Å; D43-R334 VanDerWaalsContact CG-NH2 3.33Å; D43-R334 PolarHBondContact O-NH2 3.09Å; D43-R334 IonicContact OD1-NH2 3.62Å; D43-R334 PolarHBondContact OD1-NH2 3.13Å; D43-R334 IonicContact OD2-CZ 3.95Å; D43-R334 IonicContact OD2-NH1 2.85Å; D43-R334 PolarHBondContact OD2-NH1 2.97Å; D43-R334 IonicContact OD2-NH2 3.6Å; D43-R334 PolarHBondContact OD2-NH2 2.8Å
44	C	97.4	Very high	97.5	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.034	21%	0.211	C	C	.	.			trans	-116.4	15.7	173.9	-75.2	0	0	0	0	112.9	L38 V46 E47 M48 V57	L38-C44 VanDerWaalsContact CD2-SG 3.58Å; C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 2.84Å; C44-E47 WeakPolarHBondContact CA-OE2 3.47Å; C44-E47 PolarHBondContact O-N 3.03Å; C44-M48 HydrophobicContact CB-CE 3.81Å; C44-M48 HydrophobicContact CB-CG 4.03Å; C44-M48 HydrophobicContact CB-SD 4.25Å; C44-M48 VanDerWaalsContact O-CB 3.24Å; C44-M48 WeakPolarHBondContact O-CB 3.19Å; C44-M48 WeakPolarHBondContact O-CG 3.22Å; C44-M48 PolarHBondContact O-N 3.47Å; C44-V57 HydrophobicContact CB-CG1 4.12Å
45	T	98.2	Very high	97.5	Very high	94 Å²	94	41.3 Å²	41.3	58%	0.577	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27	-171.6	55.7	0	0	0	0	114	D43 P49	D43-T45 VanDerWaalsContact OD1-CB 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.4Å; D43-T45 WeakPolarHBondContact OD1-CG2 3.5Å; D43-T45 PolarHBondContact OD1-N 2.76Å; D43-T45 PolarHBondContact OD1-OG1 2.94Å; D43-T45 PolarHBondContact OD2-OG1 3.29Å; T45-P49 WeakPolarHBondContact O-CD 3.27Å; T45-P49 WeakPolarHBondContact O-CG 3.41Å
46	V	98.6	Very high	97.5	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-43.2	176.3	176.2	0	0	0	0	111	C44 P49 I50 L331 R334 E335	C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 2.84Å; V46-P49 WeakPolarHBondContact O-CD 3.31Å; V46-I50 WeakPolarHBondContact O-CD1 3.28Å; V46-L331 HydrophobicContact CB-CD1 4.5Å; V46-L331 HydrophobicContact CG1-CD1 3.85Å; V46-L331 HydrophobicContact CG2-CD1 3.77Å; V46-R334 HydrophobicContact CB-CB 4.09Å; V46-R334 HydrophobicContact CG1-CB 3.73Å; V46-R334 VanDerWaalsContact CG2-CZ 3.49Å; V46-E335 HydrophobicContact CG1-CG 3.64Å
47	E	98.6	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-76.5	-35.9	-173.4	-57.6	82.6	176.3	0	0	111.8	C44 I50 L51 M80 R334 A338	C44-E47 WeakPolarHBondContact CA-OE2 3.47Å; C44-E47 PolarHBondContact O-N 3.03Å; E47-I50 PolarHBondContact O-N 3.41Å; E47-L51 PolarHBondContact O-N 2.88Å; E47-L51 VanDerWaalsContact O-N 3.11Å; E47-M80 HydrophobicContact CB-CE 3.95Å; E47-M80 HydrophobicContact CG-CE 3.77Å; E47-M80 HydrophobicContact CG-SD 4.02Å; E47-R334 WeakPolarHBondContact OE1-CB 3.39Å; E47-R334 WeakPolarHBondContact OE1-CG 3.31Å; E47-R334 IonicContact OE1-CZ 3.42Å; E47-R334 IonicContact OE1-NE 2.84Å; E47-R334 PolarHBondContact OE1-NE 3.14Å; E47-R334 IonicContact OE1-NH2 3.87Å; E47-R334 PolarHBondContact OE1-NH2 2.79Å; E47-R334 IonicContact OE2-CZ 2.79Å; E47-R334 IonicContact OE2-NE 3.48Å; E47-R334 IonicContact OE2-NH2 3.95Å; E47-R334 PolarHBondContact OE2-NH2 2.79Å; E47-A338 HydrophobicContact CB-CB 4.04Å; E47-A338 HydrophobicContact CG-CB 4.08Å
48	M	97.2	Very high	97.4	Very high	82 Å²	82	46.1 Å²	46.1	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-55.9	-53.4	-178.5	-84.3	178	-179.6	0	0	112.9	C44 I50 L51 K52 V57	C44-M48 HydrophobicContact CB-CE 3.81Å; C44-M48 HydrophobicContact CB-CG 4.03Å; C44-M48 HydrophobicContact CB-SD 4.25Å; C44-M48 VanDerWaalsContact O-CB 3.24Å; C44-M48 WeakPolarHBondContact O-CB 3.19Å; C44-M48 WeakPolarHBondContact O-CG 3.22Å; C44-M48 PolarHBondContact O-N 3.47Å; M48-I50 PolarHBondContact O-N 2.95Å; M48-L51 PolarHBondContact O-N 2.98Å; M48-K52 VanDerWaalsContact O-CB 3.26Å; M48-K52 WeakPolarHBondContact O-CB 3.5Å; M48-K52 PolarHBondContact O-N 2.79Å; M48-V57 HydrophobicContact CG-CB 4.05Å; M48-V57 HydrophobicContact CG-CG1 4.13Å
49	P	98.1	Very high	97.4	Very high	77 Å²	77	50.9 Å²	50.9	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-31.2	178.4	-26.8	34.8	0	0	0	114.7	T45 V46	T45-P49 WeakPolarHBondContact O-CD 3.27Å; T45-P49 WeakPolarHBondContact O-CG 3.41Å; V46-P49 WeakPolarHBondContact O-CD 3.31Å
50	I	98.3	Very high	97.3	Very high	39 Å²	39	52.4 Å²	52.4	20%	0.2	28%	0.276	C	S	.	.	H	α-helix	trans	-79	-31.5	-176.7	-61.3	170.2	0	0	0	111.7	V46 E47 M48 E335 A338 R342	V46-I50 WeakPolarHBondContact O-CD1 3.28Å; E47-I50 PolarHBondContact O-N 3.41Å; M48-I50 PolarHBondContact O-N 2.95Å; I50-E335 HydrophobicContact CD1-CB 4.16Å; I50-E335 HydrophobicContact CD1-CG 4.06Å; I50-A338 HydrophobicContact CB-CB 3.99Å; I50-A338 HydrophobicContact CD1-CB 3.83Å; I50-A338 HydrophobicContact CG2-CB 3.83Å; I50-R342 PolarHBondContact O-NH1 3.33Å
51	L	97.8	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-107.6	-12.8	-173	-66.4	176.1	0	0	0	114.2	V36 E47 M48 D53 L54 A55 V57 A338 I341 R342	V36-L51 HydrophobicContact CG1-CD1 4.39Å; E47-L51 PolarHBondContact O-N 2.88Å; E47-L51 VanDerWaalsContact O-N 3.11Å; M48-L51 PolarHBondContact O-N 2.98Å; L51-D53 PolarHBondContact O-N 2.87Å; L51-L54 PolarHBondContact O-N 3.04Å; L51-A55 PolarHBondContact O-N 2.96Å; L51-V57 HydrophobicContact CB-CG2 3.65Å; L51-V57 HydrophobicContact CD1-CG2 3.91Å; L51-V57 HydrophobicContact CG-CG2 4.43Å; L51-A338 HydrophobicContact CD1-CB 4.27Å; L51-A338 WeakPolarHBondContact CD2-O 3.48Å; L51-A338 HydrophobicContact CG-CB 4.29Å; L51-I341 HydrophobicContact CD1-CB 4.25Å; L51-I341 HydrophobicContact CD1-CG2 3.88Å; L51-I341 HydrophobicContact CD2-CB 4.17Å; L51-I341 HydrophobicContact CD2-CG2 3.73Å; L51-I341 HydrophobicContact CG-CG2 4.49Å; L51-R342 HydrophobicContact CD2-CB 4.05Å
52	K	94.7	Very high	97.3	Very high	141 Å²	141	53.8 Å²	53.8	61%	0.613	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.1	-172	65.3	-179.5	179.4	-177.7	0	115.5	R33 M48 L54	R33-K52 PolarHBondContact NH2-O 2.99Å; M48-K52 VanDerWaalsContact O-CB 3.26Å; M48-K52 WeakPolarHBondContact O-CB 3.5Å; M48-K52 PolarHBondContact O-N 2.79Å; K52-L54 VanDerWaalsContact C-N 3.34Å
53	D	95.2	Very high	97.2	Very high	86 Å²	86	51.7 Å²	51.7	46%	0.46	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.3	179.4	61.4	-39.6	0	0	0	112.4	L51 R342	L51-D53 PolarHBondContact O-N 2.87Å; D53-R342 VanDerWaalsContact CG-NH1 3.32Å; D53-R342 IonicContact OD1-CZ 3.42Å; D53-R342 IonicContact OD1-NH1 3.65Å; D53-R342 PolarHBondContact OD1-NH1 3.22Å; D53-R342 IonicContact OD2-CZ 3.44Å; D53-R342 IonicContact OD2-NH1 2.77Å; D53-R342 PolarHBondContact OD2-NH1 3.19Å; D53-R342 IonicContact OD2-NH2 3.81Å; D53-R342 PolarHBondContact OD2-NH2 2.88Å
54	L	95.4	Very high	97.1	Very high	42 Å²	42	49.9 Å²	49.9	22%	0.22	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-34.3	-171.5	-64.2	174.3	0	0	0	114.4	P34 L51 K52 R342 T346	P34-L54 WeakPolarHBondContact CD-O 3.26Å; L51-L54 PolarHBondContact O-N 3.04Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-R342 HydrophobicContact CD1-CG 3.7Å; L54-R342 VanDerWaalsContact CD1-CZ 3.5Å; L54-T346 HydrophobicContact CD1-CG2 3.69Å; L54-T346 HydrophobicContact CD2-CG2 4.44Å
55	A	97	Very high	97	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	27%	0.271	C	S	.	.			trans	-135.6	154.8	-169.4	0	0	0	0	0	112.5	P34 V36 L51 I345	P34-A55 HydrophobicContact CG-CB 4.34Å; P34-A55 WeakPolarHBondContact O-CA 3.34Å; P34-A55 WeakPolarHBondContact O-CB 3.23Å; V36-A55 HydrophobicContact CG2-CB 3.79Å; L51-A55 PolarHBondContact O-N 2.96Å; A55-I345 HydrophobicContact CB-CD1 3.9Å
56	T	97.5	Very high	96.9	Very high	69 Å²	69	52.3 Å²	52.3	42%	0.423	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.8	163.2	-57.1	0	0	0	0	107.6	P34 L35 V36	P34-T56 PolarHBondContact O-N 2.63Å; L35-T56 HydrophobicContact CD1-CG2 4.31Å; V36-T56 PolarHBondContact N-O 3.45Å
57	V	97.6	Very high	96.9	Very high	22 Å²	22	55.8 Å²	55.8	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129	177.3	-176.1	0	0	0	0	109.4	V36 C44 M48 L51	V36-V57 WeakPolarHBondContact O-CA 3.27Å; C44-V57 HydrophobicContact CB-CG1 4.12Å; M48-V57 HydrophobicContact CG-CB 4.05Å; M48-V57 HydrophobicContact CG-CG1 4.13Å; L51-V57 HydrophobicContact CB-CG2 3.65Å; L51-V57 HydrophobicContact CD1-CG2 3.91Å; L51-V57 HydrophobicContact CG-CG2 4.43Å
58	A	97.4	Very high	96.8	Very high	32 Å²	32	56.2 Å²	56.2	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	164.5	174.7	0	0	0	0	0	110.3	L35 V36 A37 L38	L35-A58 HydrophobicContact CD1-CB 3.97Å; V36-A58 PolarHBondContact O-N 3.1Å; A37-A58 CarbonylContact C-O 3.5Å; A37-A58 WeakPolarHBondContact CA-O 3.34Å; L38-A58 PolarHBondContact N-O 2.97Å
59	F	97.9	Very high	96.8	Very high	101 Å²	101	58.6 Å²	58.6	44%	0.443	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.8	172.8	68	-95.5	0	0	0	110.5	L38 G41 R42 D61	L38-F59 HydrophobicContact CB-CB 4.15Å; L38-F59 CarbonylContact O-C 3.08Å; L38-F59 VanDerWaalsContact O-CA 3.3Å; L38-F59 WeakPolarHBondContact O-CA 3.45Å; G41-F59 WeakPolarHBondContact O-CB 3.21Å; R42-F59 HydrophobicContact CB-CD2 4.42Å; R42-F59 HydrophobicContact CG-CD2 4.06Å; R42-F59 HydrophobicContact CG-CE2 3.67Å; R42-F59 HydrophobicContact CG-CZ 4.08Å; R42-F59 WeakPolarHBondContact O-CD1 3.23Å; R42-F59 WeakPolarHBondContact O-CG 3.31Å; F59-D61 HydrophobicContact CD2-CB 4.33Å
60	C	97.3	Very high	96.8	Very high	31 Å²	31	61.4 Å²	61.4	21%	0.209	31%	0.31	C	S	.	.			trans	-111.6	-29.8	178.3	-53.6	0	0	0	0	113	L38 L39 A62	L38-C60 PolarHBondContact O-N 3.24Å; L39-C60 VanDerWaalsContact O-CB 3.31Å; L39-C60 WeakPolarHBondContact O-CB 3.38Å; C60-A62 HydrophobicContact CB-CB 4.08Å; C60-A62 PolarHBondContact O-N 3.14Å
61	D	97.3	Very high	96.7	Very high	49 Å²	49	65 Å²	65	26%	0.262	32%	0.324	S	S	.	.			trans	54	35.3	-173	-160.5	29.8	0	0	0	112.5	L39 G41 R42 F59 Q63	L39-D61 PolarHBondContact O-N 3.34Å; G41-D61 PolarHBondContact O-N 2.87Å; R42-D61 HydrophobicContact CB-CB 4.45Å; R42-D61 IonicContact CZ-OD2 3.2Å; R42-D61 IonicContact NE-OD1 3.04Å; R42-D61 IonicContact NE-OD2 2.83Å; R42-D61 PolarHBondContact NE-OD2 2.73Å; R42-D61 IonicContact NH2-OD1 2.8Å; R42-D61 PolarHBondContact NH2-OD1 3.15Å; R42-D61 IonicContact NH2-OD2 2.71Å; R42-D61 PolarHBondContact NH2-OD2 3.39Å; F59-D61 HydrophobicContact CD2-CB 4.33Å; D61-Q63 PolarHBondContact O-NE2 2.89Å
62	A	96.9	Very high	96.7	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.008	33%	0.327	C	S	.	.			trans	-91.7	135.9	-173.9	0	0	0	0	0	111.7	L39 D40 C60 E67 I68 I85	L39-A62 PolarHBondContact O-N 2.99Å; D40-A62 WeakPolarHBondContact CA-O 3.42Å; D40-A62 WeakPolarHBondContact CB-O 3.21Å; C60-A62 HydrophobicContact CB-CB 4.08Å; C60-A62 PolarHBondContact O-N 3.14Å; A62-E67 WeakPolarHBondContact CA-OE2 3.32Å; A62-E67 HydrophobicContact CB-CB 3.83Å; A62-I68 HydrophobicContact CB-CG1 3.93Å; A62-I85 HydrophobicContact CB-CD1 4.45Å
63	Q	94.6	Very high	96.8	Very high	114 Å²	114	60 Å²	60	53%	0.533	30%	0.304	S	S	.	.	S	Bend	trans	-95.3	-14.7	173.2	-68.8	70.4	64.5	0	0	111.7	D61 E67	D61-Q63 PolarHBondContact O-NE2 2.89Å; Q63-E67 PolarHBondContact N-OE2 2.98Å; Q63-E67 PolarHBondContact OE1-OE2 3.1Å
64	S	96.2	Very high	96.9	Very high	34 Å²	34	59.2 Å²	59.2	24%	0.238	30%	0.3	C	S	.	.	S	Bend	trans	-145.1	157.4	178.3	69.2	0	0	0	0	111.3	Q66 E67	S64-Q66 PolarHBondContact O-N 3.06Å; S64-Q66 VanDerWaalsContact O-N 3.13Å; S64-Q66 PolarHBondContact OG-OE1 3.16Å; S64-E67 PolarHBondContact O-N 3.03Å; S64-E67 VanDerWaalsContact O-N 3.09Å; S64-E67 PolarHBondContact OG-OE1 3.15Å
65	T	95.5	Very high	97	Very high	5 Å²	5	62 Å²	62	3%	0.031	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24.7	179	-47.1	0	0	0	0	112.5	E67 I68 D91 K94	T65-E67 PolarHBondContact O-N 2.85Å; T65-I68 HydrophobicContact CG2-CD1 4.17Å; T65-I68 WeakPolarHBondContact O-CB 3.43Å; T65-I68 PolarHBondContact O-N 3.48Å; T65-D91 WeakPolarHBondContact CB-OD1 3.23Å; T65-D91 HydrophobicContact CG2-CB 3.87Å; T65-D91 WeakPolarHBondContact CG2-OD1 3.47Å; T65-D91 WeakPolarHBondContact OG1-CB 3.46Å; T65-D91 PolarHBondContact OG1-OD1 3.46Å; T65-K94 HydrophobicContact CG2-CD 3.75Å
66	Q	96.6	Very high	97	Very high	145 Å²	145	61.8 Å²	61.8	68%	0.678	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.6	-25.2	178.3	-70	74.6	7	0	0	112.8	S64	S64-Q66 PolarHBondContact O-N 3.06Å; S64-Q66 VanDerWaalsContact O-N 3.13Å; S64-Q66 PolarHBondContact OG-OE1 3.16Å
67	E	97.3	Very high	97	Very high	97 Å²	97	59.8 Å²	59.8	45%	0.453	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-87.2	-10.7	179	-67.8	155.5	-137.3	0	0	112.5	A62 Q63 S64 T65 H69	A62-E67 WeakPolarHBondContact CA-OE2 3.32Å; A62-E67 HydrophobicContact CB-CB 3.83Å; Q63-E67 PolarHBondContact N-OE2 2.98Å; Q63-E67 PolarHBondContact OE1-OE2 3.1Å; S64-E67 PolarHBondContact O-N 3.03Å; S64-E67 VanDerWaalsContact O-N 3.09Å; S64-E67 PolarHBondContact OG-OE1 3.15Å; T65-E67 PolarHBondContact O-N 2.85Å; E67-H69 PolarHBondContact O-N 2.89Å
68	I	97.6	Very high	97	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.041	29%	0.292	C	S	.	.	S	Bend	trans	-71.6	120.3	179.4	-57.5	179.1	0	0	0	109.2	L39 A62 T65 V72 L73 I85 F95	L39-I68 HydrophobicContact CD1-CD1 4.45Å; L39-I68 HydrophobicContact CD2-CD1 4.25Å; A62-I68 HydrophobicContact CB-CG1 3.93Å; T65-I68 HydrophobicContact CG2-CD1 4.17Å; T65-I68 WeakPolarHBondContact O-CB 3.43Å; T65-I68 PolarHBondContact O-N 3.48Å; I68-V72 HydrophobicContact CG2-CB 3.78Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; I68-L73 HydrophobicContact CB-CD2 4.14Å; I68-L73 HydrophobicContact CB-CG 4.34Å; I68-L73 HydrophobicContact CG2-CD2 3.77Å; I68-L73 HydrophobicContact CG2-CG 3.88Å; I68-I85 HydrophobicContact CD1-CD1 4.01Å; I68-F95 HydrophobicContact CD1-CZ 3.86Å
69	H	97.5	Very high	97.1	Very high	132 Å²	132	57.3 Å²	57.3	61%	0.611	28%	0.279	S	S	*	.			trans	-58.3	139.7	-179.6	-172	-83.2	0	0	0	111.9	E67 K71 V72 L73	E67-H69 PolarHBondContact O-N 2.89Å; H69-K71 VanDerWaalsContact ND1-CB 3.3Å; H69-K71 WeakPolarHBondContact ND1-CB 3.22Å; H69-K71 PolarHBondContact ND1-N 3.21Å; H69-K71 VanDerWaalsContact ND1-N 3.13Å; H69-K71 PolarHBondContact O-N 3.31Å; H69-K71 VanDerWaalsContact O-N 3.09Å; H69-V72 WeakPolarHBondContact O-CA 3.2Å; H69-V72 WeakPolarHBondContact O-CB 3.16Å; H69-V72 PolarHBondContact O-N 3.01Å; H69-L73 PolarHBondContact O-N 2.96Å
70	E	96.8	Very high	97.1	Very high	137 Å²	137	52.5 Å²	52.5	64%	0.64	26%	0.258	S	S	*	.	H	α-helix	trans	-53	-39.5	-174.8	-162.9	-167.6	159.3	0	0	113.1	V72 L73 N74	E70-V72 VanDerWaalsContact C-N 3.29Å; E70-V72 PolarHBondContact O-N 3.07Å; E70-L73 PolarHBondContact O-N 3.18Å; E70-N74 WeakPolarHBondContact O-CB 3.36Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.74Å; E70-N74 PolarHBondContact OE1-ND2 3.27Å
71	K	96.4	Very high	97.2	Very high	114 Å²	114	51 Å²	51	50%	0.496	25%	0.248	S	C	.	.	H	α-helix	trans	-54	-42.4	173.9	-170.1	175.5	-176.3	177.8	0	113.2	H69 N74 E75	H69-K71 VanDerWaalsContact ND1-CB 3.3Å; H69-K71 WeakPolarHBondContact ND1-CB 3.22Å; H69-K71 PolarHBondContact ND1-N 3.21Å; H69-K71 VanDerWaalsContact ND1-N 3.13Å; H69-K71 PolarHBondContact O-N 3.31Å; H69-K71 VanDerWaalsContact O-N 3.09Å; K71-N74 PolarHBondContact O-N 2.81Å; K71-E75 WeakPolarHBondContact CE-OE2 3.35Å; K71-E75 HydrophobicContact CG-CG 4.36Å; K71-E75 VanDerWaalsContact O-CB 3.28Å; K71-E75 WeakPolarHBondContact O-CB 3.45Å; K71-E75 PolarHBondContact O-N 2.95Å
72	V	97.8	Very high	97.3	Very high	12 Å²	12	50.5 Å²	50.5	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-45.1	178.5	173.4	0	0	0	0	110	L35 A37 L39 I68 H69 E70 N74 A76 F95	L35-V72 HydrophobicContact CD2-CG2 4.34Å; A37-V72 HydrophobicContact CB-CG1 3.59Å; A37-V72 HydrophobicContact CB-CG2 4.46Å; L39-V72 HydrophobicContact CD2-CG1 4.46Å; I68-V72 HydrophobicContact CG2-CB 3.78Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; H69-V72 WeakPolarHBondContact O-CA 3.2Å; H69-V72 WeakPolarHBondContact O-CB 3.16Å; H69-V72 PolarHBondContact O-N 3.01Å; E70-V72 VanDerWaalsContact C-N 3.29Å; E70-V72 PolarHBondContact O-N 3.07Å; V72-N74 VanDerWaalsContact C-N 3.27Å; V72-N74 PolarHBondContact O-N 3.26Å; V72-A76 HydrophobicContact CG1-CB 3.9Å; V72-A76 WeakPolarHBondContact O-CB 3.48Å; V72-A76 PolarHBondContact O-N 2.67Å; V72-F95 HydrophobicContact CG1-CE1 4.42Å
73	L	97.4	Very high	97.3	Very high	25 Å²	25	53 Å²	53	13%	0.131	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-39.3	176.5	-62.7	175	0	0	0	111.9	I68 H69 E70 K94 F95 K96	I68-L73 HydrophobicContact CB-CD2 4.14Å; I68-L73 HydrophobicContact CB-CG 4.34Å; I68-L73 HydrophobicContact CG2-CD2 3.77Å; I68-L73 HydrophobicContact CG2-CG 3.88Å; H69-L73 PolarHBondContact O-N 2.96Å; E70-L73 PolarHBondContact O-N 3.18Å; L73-K94 HydrophobicContact CD1-CB 4.47Å; L73-K94 HydrophobicContact CD2-CB 4.14Å; L73-F95 HydrophobicContact CD2-CD1 4.04Å; L73-F95 HydrophobicContact CD2-CD2 4.22Å; L73-F95 HydrophobicContact CD2-CE1 3.81Å; L73-F95 HydrophobicContact CD2-CE2 3.99Å; L73-F95 HydrophobicContact CD2-CG 4.26Å; L73-F95 HydrophobicContact CD2-CZ 3.78Å; L73-F95 CarbonylContact O-C 3.53Å; L73-F95 VanDerWaalsContact O-CA 3.31Å; L73-F95 WeakPolarHBondContact O-CA 3.44Å; L73-K96 PolarHBondContact O-N 3.08Å
74	N	96.8	Very high	97.5	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-79.7	-39.6	-177.9	-70.5	-22.6	0	0	0	113.5	E70 K71 V72 A97	E70-N74 WeakPolarHBondContact O-CB 3.36Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.74Å; E70-N74 PolarHBondContact OE1-ND2 3.27Å; K71-N74 PolarHBondContact O-N 2.81Å; V72-N74 VanDerWaalsContact C-N 3.27Å; V72-N74 PolarHBondContact O-N 3.26Å; N74-A97 WeakPolarHBondContact O-CB 3.44Å
75	E	96.9	Very high	97.5	Very high	102 Å²	102	49.6 Å²	49.6	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-114.7	-17.4	-165.1	-59.8	177.4	-158.1	0	0	115.1	L35 K71 V77	L35-E75 HydrophobicContact CD2-CB 4.2Å; K71-E75 WeakPolarHBondContact CE-OE2 3.35Å; K71-E75 HydrophobicContact CG-CG 4.36Å; K71-E75 VanDerWaalsContact O-CB 3.28Å; K71-E75 WeakPolarHBondContact O-CB 3.45Å; K71-E75 PolarHBondContact O-N 2.95Å; E75-V77 PolarHBondContact O-N 3.01Å
76	A	97.8	Very high	97.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.4	-175.8	0	0	0	0	0	110.9	L35 A37 V72 A97 L98	L35-A76 HydrophobicContact CD2-CB 4.26Å; L35-A76 HydrophobicContact CG-CB 4.34Å; A37-A76 HydrophobicContact CB-CB 4.48Å; V72-A76 HydrophobicContact CG1-CB 3.9Å; V72-A76 WeakPolarHBondContact O-CB 3.48Å; V72-A76 PolarHBondContact O-N 2.67Å; A76-A97 CarbonylContact O-C 3.36Å; A76-L98 WeakPolarHBondContact O-CA 3.49Å; A76-L98 PolarHBondContact O-N 3.38Å
77	V	97.6	Very high	97.8	Very high	26 Å²	26	46.2 Å²	46.2	16%	0.158	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-33.3	177.7	178.2	0	0	0	0	110.6	M30 P34 L35 E75 R99 I100	M30-V77 HydrophobicContact SD-CG1 4.18Å; P34-V77 HydrophobicContact CB-CB 3.92Å; P34-V77 HydrophobicContact CB-CG1 4.39Å; P34-V77 HydrophobicContact CB-CG2 3.83Å; L35-V77 PolarHBondContact O-N 2.71Å; E75-V77 PolarHBondContact O-N 3.01Å; V77-R99 HydrophobicContact CG1-CB 4.36Å; V77-R99 HydrophobicContact CG1-CG 4.26Å; V77-R99 PolarHBondContact O-N 3.36Å; V77-I100 PolarHBondContact O-N 2.99Å
78	G	98.3	Very high	97.8	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	174.3	0	0	0	0	0	111.5	L35 V36 A37 I100	L35-G78 PolarHBondContact O-N 2.61Å; V36-G78 VanDerWaalsContact CA-O 3.28Å; V36-G78 WeakPolarHBondContact CA-O 3.34Å; A37-G78 PolarHBondContact N-O 3.27Å; G78-I100 CarbonylContact C-O 3.58Å; G78-I100 WeakPolarHBondContact CA-O 3.14Å
79	A	98.8	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.8	171.4	0	0	0	0	0	110.2	A37 L39 L98 I100 I101 I102	A37-A79 CarbonylContact O-C 3.16Å; A37-A79 VanDerWaalsContact O-CA 3.28Å; A37-A79 WeakPolarHBondContact O-CA 3.47Å; L39-A79 HydrophobicContact CD1-CB 4.11Å; L39-A79 HydrophobicContact CD2-CB 4.16Å; L39-A79 HydrophobicContact CG-CB 4.12Å; A79-L98 HydrophobicContact CB-CD1 3.72Å; A79-L98 HydrophobicContact CB-CD2 4.5Å; A79-I100 PolarHBondContact N-O 3.46Å; A79-I101 HydrophobicContact CB-CG1 4.36Å; A79-I101 CarbonylContact O-C 3.51Å; A79-I101 WeakPolarHBondContact O-CA 3.37Å; A79-I102 PolarHBondContact O-N 3.01Å
80	M	98.9	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.4	166.3	-61.2	178.3	-64.1	0	0	107.7	V36 A37 L38 L39 E47 I102 I104 A337 I341	V36-M80 HydrophobicContact CG1-CE 4.03Å; A37-M80 PolarHBondContact O-N 2.98Å; L38-M80 WeakPolarHBondContact CA-O 3.23Å; L38-M80 HydrophobicContact CD1-CB 4.09Å; L39-M80 PolarHBondContact N-O 3.44Å; E47-M80 HydrophobicContact CB-CE 3.95Å; E47-M80 HydrophobicContact CG-CE 3.77Å; E47-M80 HydrophobicContact CG-SD 4.02Å; M80-I102 WeakPolarHBondContact CA-O 3.33Å; M80-I102 HydrophobicContact CG-CB 4.29Å; M80-I104 HydrophobicContact CB-CD1 4.08Å; M80-I104 HydrophobicContact CB-CG1 4.35Å; M80-A337 HydrophobicContact SD-CB 4.49Å; M80-I341 HydrophobicContact CG-CD1 4.1Å; M80-I341 HydrophobicContact CG-CG1 3.78Å; M80-I341 HydrophobicContact SD-CG1 3.89Å
81	M	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	153.1	179.5	61.4	-175	-82.7	0	0	112.3	L39 D40 I85 L87 I101 I102 R103 I104 N110 I111	L39-M81 HydrophobicContact CB-CB 4.18Å; L39-M81 HydrophobicContact CD1-CB 4.23Å; L39-M81 HydrophobicContact CD1-SD 4.14Å; L39-M81 HydrophobicContact CG-CB 4.34Å; D40-M81 WeakPolarHBondContact OD1-CA 3.37Å; D40-M81 WeakPolarHBondContact OD1-CB 3.3Å; M81-I85 HydrophobicContact CB-CG2 4.11Å; M81-I85 HydrophobicContact CE-CG2 3.49Å; M81-I85 VanDerWaalsContact CE-CG2 3.49Å; M81-I85 VanDerWaalsContact CE-O 3.25Å; M81-I85 WeakPolarHBondContact CE-O 3.39Å; M81-I85 HydrophobicContact SD-CG2 4.32Å; M81-L87 HydrophobicContact CE-CD1 4.2Å; M81-L87 HydrophobicContact CE-CG 4.08Å; M81-L87 HydrophobicContact SD-CD1 3.45Å; M81-L87 WeakPolarHBondContact SD-CD1 3.46Å; M81-L87 HydrophobicContact SD-CG 4Å; M81-I101 HydrophobicContact CG-CG2 4.02Å; M81-I101 HydrophobicContact SD-CG2 3.7Å; M81-I102 PolarHBondContact N-O 2.96Å; M81-R103 WeakPolarHBondContact O-CA 3.27Å; M81-R103 PolarHBondContact O-NH1 3.4Å; M81-I104 PolarHBondContact O-N 3.09Å; M81-N110 WeakPolarHBondContact CE-ND2 3.39Å; M81-I111 HydrophobicContact CE-CD1 4.13Å; M81-I111 HydrophobicContact CE-CG1 3.81Å; M81-I111 HydrophobicContact CG-CD1 4.49Å; M81-I111 HydrophobicContact SD-CD1 3.76Å; M81-I111 HydrophobicContact SD-CG1 3.97Å
82	Y	98.5	Very high	98.1	Very high	38 Å²	38	37.5 Å²	37.5	15%	0.149	19%	0.192	C	C	.	.			trans	-90.3	-150.8	172.2	-63.9	-82.8	0	0	0	110.1	L38 D40 R103 I104 N110	L38-Y82 HydrophobicContact CD1-CD2 4.28Å; L38-Y82 HydrophobicContact CD1-CE2 3.86Å; D40-Y82 VanDerWaalsContact CG-N 3.28Å; D40-Y82 PolarHBondContact OD1-N 3.44Å; D40-Y82 VanDerWaalsContact OD2-CA 3.28Å; D40-Y82 WeakPolarHBondContact OD2-CA 3.43Å; D40-Y82 WeakPolarHBondContact OD2-CB 3.49Å; D40-Y82 PolarHBondContact OD2-N 3.25Å; Y82-R103 VanDerWaalsContact CA-NH1 3.27Å; Y82-R103 WeakPolarHBondContact O-CD 3.26Å; Y82-R103 PolarHBondContact O-NE 3.49Å; Y82-R103 PolarHBondContact O-NH1 3.14Å; Y82-R103 VanDerWaalsContact O-NH1 3.07Å; Y82-R103 PolarHBondContact O-NH2 3.33Å; Y82-I104 HydrophobicContact CD1-CB 3.85Å; Y82-I104 HydrophobicContact CD1-CG2 4.01Å; Y82-I104 HydrophobicContact CE1-CB 3.72Å; Y82-I104 HydrophobicContact CE1-CD1 4.02Å; Y82-I104 HydrophobicContact CE1-CG1 4.48Å; Y82-I104 HydrophobicContact CE1-CG2 3.45Å; Y82-I104 VanDerWaalsContact CE1-CG2 3.45Å; Y82-I104 HydrophobicContact CE2-CD1 3.96Å; Y82-N110 PolarHBondContact O-ND2 3.27Å
83	H	97.9	Very high	98.1	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.25	21%	0.209	C	C	.	.	S	Bend	trans	-99.1	-1.4	-175.8	66.9	-91.8	0	0	0	113.2	E301 H321	H83-E301 IonicContact CD2-OE2 3.38Å; H83-E301 IonicContact NE2-OE2 3.52Å; H83-H321 AromaticContact CD2-CE1 3.43Å; H83-H321 PolarHBondContact CD2-CE1 3.41Å; H83-H321 VanDerWaalsContact CD2-CE1 3.43Å; H83-H321 AromaticContact CD2-ND1 3.32Å; H83-H321 PolarHBondContact CD2-ND1 2.99Å; H83-H321 VanDerWaalsContact CD2-ND1 3.32Å; H83-H321 AromaticContact CE1-CE1 3.88Å; H83-H321 AromaticContact CE1-CG 3.98Å; H83-H321 AromaticContact CE1-ND1 3.7Å; H83-H321 AromaticContact CG-CE1 3.54Å; H83-H321 AromaticContact CG-ND1 3.88Å; H83-H321 AromaticContact ND1-CE1 3.82Å; H83-H321 AromaticContact NE2-CE1 3.68Å; H83-H321 AromaticContact NE2-CG 3.79Å; H83-H321 AromaticContact NE2-ND1 3.23Å; H83-H321 PolarHBondContact NE2-ND1 3.18Å
84	T	97.4	Very high	98.1	Very high	75 Å²	75	43.5 Å²	43.5	46%	0.46	22%	0.217	S	C	.	.	S	Bend	trans	-94.1	-14.7	-167.7	55.8	0	0	0	0	113.3	D40	D40-T84 WeakPolarHBondContact CB-OG1 3.49Å; D40-T84 PolarHBondContact OD2-N 3.07Å; D40-T84 PolarHBondContact OD2-OG1 3.4Å
85	I	97.8	Very high	98.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-108.3	144.6	168.1	-165	170.2	0	0	0	111.1	L39 D40 A62 I68 M81 N110	L39-I85 HydrophobicContact CB-CD1 4.49Å; L39-I85 HydrophobicContact CB-CG2 4.35Å; D40-I85 HydrophobicContact CB-CB 3.89Å; D40-I85 HydrophobicContact CB-CG2 3.69Å; D40-I85 PolarHBondContact OD2-N 3.36Å; A62-I85 HydrophobicContact CB-CD1 4.45Å; I68-I85 HydrophobicContact CD1-CD1 4.01Å; M81-I85 HydrophobicContact CB-CG2 4.11Å; M81-I85 HydrophobicContact CE-CG2 3.49Å; M81-I85 VanDerWaalsContact CE-CG2 3.49Å; M81-I85 VanDerWaalsContact CE-O 3.25Å; M81-I85 WeakPolarHBondContact CE-O 3.39Å; M81-I85 HydrophobicContact SD-CG2 4.32Å; I85-N110 PolarHBondContact O-ND2 3.27Å
86	T	98.3	Very high	98.1	Very high	80 Å²	80	41.7 Å²	41.7	49%	0.491	21%	0.205	S	C	.	.			trans	-110.9	136.4	174.4	-62.6	0	0	0	0	110.1	T88 N110	T86-T88 HydrophobicContact CG2-CG2 4.36Å; T86-N110 CarbonylContact C-O 3.59Å; T86-N110 VanDerWaalsContact CA-O 3.32Å; T86-N110 WeakPolarHBondContact CA-O 3.39Å
87	L	98.6	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-115.9	97.6	176.3	-63.2	-177.6	0	0	0	110.2	L39 M81 D91 L92 F95 I101 N110 D112	L39-L87 HydrophobicContact CD1-CD1 4.11Å; M81-L87 HydrophobicContact CE-CD1 4.2Å; M81-L87 HydrophobicContact CE-CG 4.08Å; M81-L87 HydrophobicContact SD-CD1 3.45Å; M81-L87 WeakPolarHBondContact SD-CD1 3.46Å; M81-L87 HydrophobicContact SD-CG 4Å; L87-D91 HydrophobicContact CD2-CB 4.17Å; L87-L92 HydrophobicContact CB-CD2 4.1Å; L87-L92 HydrophobicContact CB-CG 4.23Å; L87-L92 HydrophobicContact CD1-CD2 4.12Å; L87-F95 HydrophobicContact CD2-CE2 4.25Å; L87-I101 HydrophobicContact CD1-CD1 3.86Å; L87-N110 PolarHBondContact N-O 3.19Å; L87-D112 PolarHBondContact O-N 2.87Å
88	T	98.5	Very high	98.1	Very high	60 Å²	60	42 Å²	42	37%	0.368	21%	0.21	S	C	.	.			trans	-75.4	172.9	171.1	69.9	0	0	0	0	111.1	T86 E90 D91 L92	T86-T88 HydrophobicContact CG2-CG2 4.36Å; T88-E90 VanDerWaalsContact C-N 3.3Å; T88-E90 PolarHBondContact O-N 2.81Å; T88-E90 PolarHBondContact OG1-N 3.06Å; T88-D91 WeakPolarHBondContact CB-OD2 3.44Å; T88-D91 PolarHBondContact N-OD2 2.83Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 WeakPolarHBondContact O-CB 3.41Å; T88-D91 PolarHBondContact O-N 3.25Å; T88-D91 VanDerWaalsContact O-N 3.13Å; T88-D91 PolarHBondContact OG1-N 2.89Å; T88-D91 PolarHBondContact OG1-OD2 2.95Å; T88-L92 VanDerWaalsContact O-CG 3.3Å; T88-L92 WeakPolarHBondContact O-CG 3.46Å; T88-L92 PolarHBondContact O-N 2.76Å
89	R	98.1	Very high	98	Very high	79 Å²	79	43.3 Å²	43.3	30%	0.298	22%	0.215	S	C	.	.	H	α-helix	trans	-50.8	-49	168.9	176	173.4	-63.5	-94.8	-0.3	112.7	D91 L92 E93 A115 E118	R89-D91 PolarHBondContact O-N 2.86Å; R89-L92 PolarHBondContact O-N 2.9Å; R89-L92 VanDerWaalsContact O-N 3.17Å; R89-E93 HydrophobicContact CG-CG 4.41Å; R89-E93 WeakPolarHBondContact CG-OE1 3.35Å; R89-E93 WeakPolarHBondContact O-CG 3.35Å; R89-E93 PolarHBondContact O-N 2.82Å; R89-A115 HydrophobicContact CB-CB 3.78Å; R89-A115 HydrophobicContact CG-CB 4.04Å; R89-A115 VanDerWaalsContact CZ-CB 3.48Å; R89-E118 IonicContact CZ-OE2 3.72Å; R89-E118 VanDerWaalsContact CZ-OE2 3.23Å; R89-E118 IonicContact NH1-OE2 3.99Å; R89-E118 PolarHBondContact NH1-OE2 2.97Å; R89-E118 IonicContact NH2-OE1 2.76Å; R89-E118 IonicContact NH2-OE2 3.55Å; R89-E118 PolarHBondContact NH2-OE2 3.15Å
90	E	98.3	Very high	98	Very high	147 Å²	147	43.5 Å²	43.5	69%	0.687	22%	0.216	S	C	*	.	H	α-helix	trans	-61.7	-32	-178.5	-64.8	-175.2	-179.8	0	0	111.8	T88 K94	T88-E90 VanDerWaalsContact C-N 3.3Å; T88-E90 PolarHBondContact O-N 2.81Å; T88-E90 PolarHBondContact OG1-N 3.06Å; E90-K94 WeakPolarHBondContact O-CE 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å
91	D	98.6	Very high	98	Very high	17 Å²	17	43.5 Å²	43.5	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-73.6	-44.1	175.3	-62.6	-52.6	0	0	0	112.1	T65 L87 T88 R89 E93 K94 F95	T65-D91 WeakPolarHBondContact CB-OD1 3.23Å; T65-D91 HydrophobicContact CG2-CB 3.87Å; T65-D91 WeakPolarHBondContact CG2-OD1 3.47Å; T65-D91 WeakPolarHBondContact OG1-CB 3.46Å; T65-D91 PolarHBondContact OG1-OD1 3.46Å; L87-D91 HydrophobicContact CD2-CB 4.17Å; T88-D91 WeakPolarHBondContact CB-OD2 3.44Å; T88-D91 PolarHBondContact N-OD2 2.83Å; T88-D91 VanDerWaalsContact N-OD2 3.12Å; T88-D91 WeakPolarHBondContact O-CB 3.41Å; T88-D91 PolarHBondContact O-N 3.25Å; T88-D91 VanDerWaalsContact O-N 3.13Å; T88-D91 PolarHBondContact OG1-N 2.89Å; T88-D91 PolarHBondContact OG1-OD2 2.95Å; R89-D91 PolarHBondContact O-N 2.86Å; D91-E93 VanDerWaalsContact C-N 3.29Å; D91-E93 PolarHBondContact O-N 3.17Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 PolarHBondContact O-N 2.82Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 IonicContact OD1-NZ 3.25Å; D91-K94 PolarHBondContact OD1-NZ 2.88Å; D91-F95 WeakPolarHBondContact O-CD2 3.39Å
92	L	98.5	Very high	98	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-36.6	178.8	-69	166.6	0	0	0	112	L87 T88 R89 K94 F95 I101 D112 A115 A116 L119 I121	L87-L92 HydrophobicContact CB-CD2 4.1Å; L87-L92 HydrophobicContact CB-CG 4.23Å; L87-L92 HydrophobicContact CD1-CD2 4.12Å; T88-L92 VanDerWaalsContact O-CG 3.3Å; T88-L92 WeakPolarHBondContact O-CG 3.46Å; T88-L92 PolarHBondContact O-N 2.76Å; R89-L92 PolarHBondContact O-N 2.9Å; R89-L92 VanDerWaalsContact O-N 3.17Å; L92-K94 PolarHBondContact O-N 3.38Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-F95 VanDerWaalsContact O-N 3.12Å; L92-I101 HydrophobicContact CD2-CD1 3.49Å; L92-I101 VanDerWaalsContact CD2-CD1 3.49Å; L92-D112 HydrophobicContact CD1-CB 4.33Å; L92-D112 WeakPolarHBondContact CD1-O 3.41Å; L92-A115 HydrophobicContact CD1-CB 4.08Å; L92-A116 HydrophobicContact CD1-CB 3.96Å; L92-L119 HydrophobicContact CB-CD1 3.62Å; L92-I121 HydrophobicContact CD2-CD1 4.25Å
93	E	97.9	Very high	98	Very high	94 Å²	94	42 Å²	42	44%	0.439	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.7	177.3	-73.8	175.3	-177.4	0	0	113.8	R89 D91 F95 K96 L119	R89-E93 HydrophobicContact CG-CG 4.41Å; R89-E93 WeakPolarHBondContact CG-OE1 3.35Å; R89-E93 WeakPolarHBondContact O-CG 3.35Å; R89-E93 PolarHBondContact O-N 2.82Å; D91-E93 VanDerWaalsContact C-N 3.29Å; D91-E93 PolarHBondContact O-N 3.17Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-K96 PolarHBondContact O-NZ 3.1Å; E93-L119 HydrophobicContact CG-CD1 3.99Å; E93-L119 HydrophobicContact CG-CD2 4.16Å
94	K	98.1	Very high	98.1	Very high	69 Å²	69	39.6 Å²	39.6	30%	0.3	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.3	174.8	-63.1	165.7	-168.4	162.6	0	111.4	T65 L73 E90 D91 L92 K96	T65-K94 HydrophobicContact CG2-CD 3.75Å; L73-K94 HydrophobicContact CD1-CB 4.47Å; L73-K94 HydrophobicContact CD2-CB 4.14Å; E90-K94 WeakPolarHBondContact O-CE 3.3Å; E90-K94 WeakPolarHBondContact O-CG 3.45Å; D91-K94 WeakPolarHBondContact O-CB 3.39Å; D91-K94 PolarHBondContact O-N 2.82Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 IonicContact OD1-NZ 3.25Å; D91-K94 PolarHBondContact OD1-NZ 2.88Å; L92-K94 PolarHBondContact O-N 3.38Å; K94-K96 WeakPolarHBondContact O-CE 3.45Å; K94-K96 PolarHBondContact O-N 3.45Å
95	F	98	Very high	98.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	18%	0.184	C	C	.	.			trans	-76.9	115.9	-179.7	-70.1	-89.4	0	0	0	112.1	R22 L39 I68 V72 L73 L87 D91 L92 E93 L98	R22-F95 PolarHBondContact NH2-O 2.89Å; L39-F95 HydrophobicContact CD1-CZ 4.37Å; L39-F95 HydrophobicContact CD2-CZ 4.49Å; I68-F95 HydrophobicContact CD1-CZ 3.86Å; V72-F95 HydrophobicContact CG1-CE1 4.42Å; L73-F95 HydrophobicContact CD2-CD1 4.04Å; L73-F95 HydrophobicContact CD2-CD2 4.22Å; L73-F95 HydrophobicContact CD2-CE1 3.81Å; L73-F95 HydrophobicContact CD2-CE2 3.99Å; L73-F95 HydrophobicContact CD2-CG 4.26Å; L73-F95 HydrophobicContact CD2-CZ 3.78Å; L73-F95 CarbonylContact O-C 3.53Å; L73-F95 VanDerWaalsContact O-CA 3.31Å; L73-F95 WeakPolarHBondContact O-CA 3.44Å; L87-F95 HydrophobicContact CD2-CE2 4.25Å; D91-F95 WeakPolarHBondContact O-CD2 3.39Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-F95 VanDerWaalsContact O-N 3.12Å; E93-F95 VanDerWaalsContact C-N 3.29Å; F95-L98 HydrophobicContact CB-CB 3.59Å; F95-L98 HydrophobicContact CB-CD2 3.96Å; F95-L98 HydrophobicContact CB-CG 4.44Å; F95-L98 HydrophobicContact CD1-CB 4.11Å; F95-L98 HydrophobicContact CD1-CD2 3.8Å; F95-L98 HydrophobicContact CD1-CG 4.43Å; F95-L98 HydrophobicContact CD2-CD2 4.05Å; F95-L98 HydrophobicContact CE1-CD2 4.25Å; F95-L98 HydrophobicContact CE2-CD2 4.49Å; F95-L98 HydrophobicContact CG-CB 4.07Å; F95-L98 HydrophobicContact CG-CD2 3.67Å; F95-L98 HydrophobicContact CG-CG 4.49Å
96	K	96.4	Very high	98	Very high	130 Å²	130	39.9 Å²	39.9	57%	0.565	21%	0.206	S	C	*	.	S	Bend	trans	-88.4	-29.6	-173.8	-53.5	-51.6	176.7	-168.1	0	114	R22 L73 E93 K94	R22-K96 PolarHBondContact NE-O 3.34Å; R22-K96 PolarHBondContact NH2-O 3.04Å; R22-K96 VanDerWaalsContact NH2-O 3.07Å; L73-K96 PolarHBondContact O-N 3.08Å; E93-K96 PolarHBondContact O-NZ 3.1Å; K94-K96 WeakPolarHBondContact O-CE 3.45Å; K94-K96 PolarHBondContact O-N 3.45Å
97	A	96.3	Very high	97.9	Very high	34 Å²	34	36.4 Å²	36.4	28%	0.281	19%	0.187	S	C	.	.	S	Bend	trans	-114.7	-8.4	-178.3	0	0	0	0	0	115.5	N74 A76 R99	N74-A97 WeakPolarHBondContact O-CB 3.44Å; A76-A97 CarbonylContact O-C 3.36Å; A97-R99 PolarHBondContact O-N 2.92Å
98	L	98	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-60.8	128.2	-173.7	-169.7	66.7	0	0	0	112.2	R22 A76 A79 F95 I100 I101 I121	R22-L98 PolarHBondContact NH1-O 3.3Å; R22-L98 PolarHBondContact NH2-O 2.99Å; A76-L98 WeakPolarHBondContact O-CA 3.49Å; A76-L98 PolarHBondContact O-N 3.38Å; A79-L98 HydrophobicContact CB-CD1 3.72Å; A79-L98 HydrophobicContact CB-CD2 4.5Å; F95-L98 HydrophobicContact CB-CB 3.59Å; F95-L98 HydrophobicContact CB-CD2 3.96Å; F95-L98 HydrophobicContact CB-CG 4.44Å; F95-L98 HydrophobicContact CD1-CB 4.11Å; F95-L98 HydrophobicContact CD1-CD2 3.8Å; F95-L98 HydrophobicContact CD1-CG 4.43Å; F95-L98 HydrophobicContact CD2-CD2 4.05Å; F95-L98 HydrophobicContact CE1-CD2 4.25Å; F95-L98 HydrophobicContact CE2-CD2 4.49Å; F95-L98 HydrophobicContact CG-CB 4.07Å; F95-L98 HydrophobicContact CG-CD2 3.67Å; F95-L98 HydrophobicContact CG-CG 4.49Å; L98-I100 WeakPolarHBondContact CD1-O 3.48Å; L98-I101 HydrophobicContact CD2-CD1 3.87Å; L98-I101 HydrophobicContact CD2-CG1 3.68Å; L98-I101 HydrophobicContact CG-CG1 4.3Å; L98-I121 HydrophobicContact CD2-CD1 4.31Å; L98-I121 HydrophobicContact CD2-CG2 4.32Å; L98-I121 HydrophobicContact CG-CG2 4.23Å
99	R	97.1	Very high	97.8	Very high	29 Å²	29	39.4 Å²	39.4	11%	0.109	20%	0.196	C	C	.	.			trans	-116.7	-23.7	179.1	-66.5	179.3	64.8	-177.9	0.5	112.9	M26 N27 V77 A97 A122 I349	M26-R99 VanDerWaalsContact O-CZ 3.26Å; M26-R99 PolarHBondContact O-NH1 3.24Å; M26-R99 PolarHBondContact O-NH2 3.16Å; N27-R99 PolarHBondContact OD1-NH2 2.85Å; N27-R99 VanDerWaalsContact OD1-NH2 3.13Å; V77-R99 HydrophobicContact CG1-CB 4.36Å; V77-R99 HydrophobicContact CG1-CG 4.26Å; V77-R99 PolarHBondContact O-N 3.36Å; A97-R99 PolarHBondContact O-N 2.92Å; R99-A122 PolarHBondContact O-N 3.44Å; R99-I349 HydrophobicContact CB-CD1 4.1Å
100	I	98.5	Very high	97.8	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.6	-178.8	-170	165	0	0	0	112.2	V77 G78 A79 L98 I102 A122 I341 A344 I349 L353	V77-I100 PolarHBondContact O-N 2.99Å; G78-I100 CarbonylContact C-O 3.58Å; G78-I100 WeakPolarHBondContact CA-O 3.14Å; A79-I100 PolarHBondContact N-O 3.46Å; L98-I100 WeakPolarHBondContact CD1-O 3.48Å; I100-I102 HydrophobicContact CD1-CD1 3.45Å; I100-I102 VanDerWaalsContact CD1-CD1 3.45Å; I100-I102 HydrophobicContact CD1-CG1 4.48Å; I100-I102 HydrophobicContact CG1-CD1 3.65Å; I100-I102 HydrophobicContact CG1-CG1 4.4Å; I100-A122 CarbonylContact C-O 3.54Å; I100-A122 VanDerWaalsContact CA-O 3.3Å; I100-A122 WeakPolarHBondContact CA-O 3.42Å; I100-A122 HydrophobicContact CG1-CB 4.19Å; I100-I341 HydrophobicContact CG2-CD1 3.99Å; I100-A344 HydrophobicContact CB-CB 4.38Å; I100-A344 HydrophobicContact CD1-CB 3.36Å; I100-A344 HydrophobicContact CG1-CB 4.45Å; I100-A344 HydrophobicContact CG2-CB 3.95Å; I100-I349 HydrophobicContact CB-CD1 4.31Å; I100-L353 HydrophobicContact CD1-CD1 3.79Å; I100-L353 HydrophobicContact CD1-CD2 3.57Å; I100-L353 HydrophobicContact CD1-CG 4.35Å
101	I	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.8	168.7	-60.2	163.5	0	0	0	108.1	A79 M81 L87 L92 L98 I111 I121 A122 V123 C124	A79-I101 HydrophobicContact CB-CG1 4.36Å; A79-I101 CarbonylContact O-C 3.51Å; A79-I101 WeakPolarHBondContact O-CA 3.37Å; M81-I101 HydrophobicContact CG-CG2 4.02Å; M81-I101 HydrophobicContact SD-CG2 3.7Å; L87-I101 HydrophobicContact CD1-CD1 3.86Å; L92-I101 HydrophobicContact CD2-CD1 3.49Å; L92-I101 VanDerWaalsContact CD2-CD1 3.49Å; L98-I101 HydrophobicContact CD2-CD1 3.87Å; L98-I101 HydrophobicContact CD2-CG1 3.68Å; L98-I101 HydrophobicContact CG-CG1 4.3Å; I101-I111 HydrophobicContact CD1-CG2 4.5Å; I101-I111 HydrophobicContact CG2-CD1 3.62Å; I101-I121 HydrophobicContact CD1-CG2 3.77Å; I101-I121 HydrophobicContact CG1-CG2 3.85Å; I101-A122 PolarHBondContact N-O 3.34Å; I101-V123 CarbonylContact O-C 3.59Å; I101-V123 WeakPolarHBondContact O-CA 3.32Å; I101-C124 PolarHBondContact O-N 3.4Å
102	I	98.8	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.3	173	-47.9	-62	0	0	0	109.2	A79 M80 M81 I100 I104 C124 I126 A337 E340 I341	A79-I102 PolarHBondContact O-N 3.01Å; M80-I102 WeakPolarHBondContact CA-O 3.33Å; M80-I102 HydrophobicContact CG-CB 4.29Å; M81-I102 PolarHBondContact N-O 2.96Å; I100-I102 HydrophobicContact CD1-CD1 3.45Å; I100-I102 VanDerWaalsContact CD1-CD1 3.45Å; I100-I102 HydrophobicContact CD1-CG1 4.48Å; I100-I102 HydrophobicContact CG1-CD1 3.65Å; I100-I102 HydrophobicContact CG1-CG1 4.4Å; I102-I104 PolarHBondContact O-N 3.17Å; I102-C124 HydrophobicContact CD1-CB 3.59Å; I102-I126 HydrophobicContact CG2-CD1 4.4Å; I102-A337 HydrophobicContact CG2-CB 3.69Å; I102-E340 HydrophobicContact CD1-CB 3.93Å; I102-E340 HydrophobicContact CD1-CG 3.5Å; I102-E340 VanDerWaalsContact CD1-CG 3.5Å; I102-E340 HydrophobicContact CG1-CB 4.47Å; I102-I341 HydrophobicContact CD1-CD1 4.34Å; I102-I341 HydrophobicContact CG1-CD1 3.45Å; I102-I341 VanDerWaalsContact CG1-CD1 3.45Å; I102-I341 HydrophobicContact CG1-CG1 3.78Å
103	R	98.8	Very high	97.8	Very high	5 Å²	5	33 Å²	33	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.9	165.9	-80.7	-66.6	-66.1	92.3	4.4	109.7	M81 Y82 G105 G107 N110 I111 C124 N125 I126	M81-R103 WeakPolarHBondContact O-CA 3.27Å; M81-R103 PolarHBondContact O-NH1 3.4Å; Y82-R103 VanDerWaalsContact CA-NH1 3.27Å; Y82-R103 WeakPolarHBondContact O-CD 3.26Å; Y82-R103 PolarHBondContact O-NE 3.49Å; Y82-R103 PolarHBondContact O-NH1 3.14Å; Y82-R103 VanDerWaalsContact O-NH1 3.07Å; Y82-R103 PolarHBondContact O-NH2 3.33Å; R103-G105 VanDerWaalsContact C-N 3.33Å; R103-G105 PolarHBondContact O-N 3.11Å; R103-G105 VanDerWaalsContact O-O 3.13Å; R103-G107 PolarHBondContact NE-O 3.26Å; R103-G107 PolarHBondContact NH2-O 3.38Å; R103-N110 WeakPolarHBondContact CD-OD1 3.43Å; R103-N110 PolarHBondContact NE-OD1 3.49Å; R103-I111 HydrophobicContact CG-CD1 3.43Å; R103-I111 VanDerWaalsContact CG-CD1 3.43Å; R103-I111 HydrophobicContact CG-CG1 4.46Å; R103-C124 PolarHBondContact N-O 2.8Å; R103-N125 HydrophobicContact CB-CB 4.36Å; R103-I126 PolarHBondContact O-N 3.34Å
104	I	98.7	Very high	97.8	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-73.3	92.4	166.9	-51	176.1	0	0	0	107.1	L38 M80 M81 Y82 I102 M333 R334 A337	L38-I104 HydrophobicContact CD1-CD1 3.95Å; M80-I104 HydrophobicContact CB-CD1 4.08Å; M80-I104 HydrophobicContact CB-CG1 4.35Å; M81-I104 PolarHBondContact O-N 3.09Å; Y82-I104 HydrophobicContact CD1-CB 3.85Å; Y82-I104 HydrophobicContact CD1-CG2 4.01Å; Y82-I104 HydrophobicContact CE1-CB 3.72Å; Y82-I104 HydrophobicContact CE1-CD1 4.02Å; Y82-I104 HydrophobicContact CE1-CG1 4.48Å; Y82-I104 HydrophobicContact CE1-CG2 3.45Å; Y82-I104 VanDerWaalsContact CE1-CG2 3.45Å; Y82-I104 HydrophobicContact CE2-CD1 3.96Å; I102-I104 PolarHBondContact O-N 3.17Å; I104-M333 HydrophobicContact CG2-CB 4.14Å; I104-M333 HydrophobicContact CG2-CG 3.57Å; I104-M333 HydrophobicContact CG2-SD 3.75Å; I104-R334 HydrophobicContact CG2-CG 4.23Å; I104-A337 HydrophobicContact CG1-CB 3.8Å
105	G	97.4	Very high	97.8	Very high	15 Å²	15	29.5 Å²	29.5	16%	0.155	16%	0.155	C	C	.	.	S	Bend	trans	132.8	173.6	-171.4	0	0	0	0	0	112.2	R103 N125 I126	R103-G105 VanDerWaalsContact C-N 3.33Å; R103-G105 PolarHBondContact O-N 3.11Å; R103-G105 VanDerWaalsContact O-O 3.13Å; G105-N125 WeakPolarHBondContact O-CB 3.4Å; G105-I126 CarbonylContact C-O 3.51Å; G105-I126 PolarHBondContact O-N 3.04Å
106	S	97	Very high	97.8	Very high	67 Å²	67	29.4 Å²	29.4	47%	0.469	16%	0.155	S	C	.	.	S	Bend	trans	-85.8	-43.5	-171.7	57.2	0	0	0	0	114	N125 I126	S106-N125 PolarHBondContact O-ND2 3.45Å; S106-I126 WeakPolarHBondContact CA-O 3.44Å; S106-I126 PolarHBondContact N-O 3.08Å
107	G	95.8	Very high	97.8	Very high	8 Å²	8	23.2 Å²	23.2	8%	0.082	13%	0.129	C	C	.	.			trans	-83.7	147.2	-179.1	0	0	0	0	0	113.1	R103	R103-G107 PolarHBondContact NE-O 3.26Å; R103-G107 PolarHBondContact NH2-O 3.38Å
108	Y	97.9	Very high	97.8	Very high	61 Å²	61	25.4 Å²	25.4	24%	0.239	13%	0.133	C	C	.	.			trans	-133.7	16.9	-170.9	49.2	-100.6	0	0	0	112.1	N110 I111 I113 N125 V357	Y108-N110 PolarHBondContact O-N 3.11Å; Y108-I111 PolarHBondContact O-N 3.11Å; Y108-I111 VanDerWaalsContact O-N 3.15Å; Y108-I113 HydrophobicContact CD2-CD1 4.13Å; Y108-I113 HydrophobicContact CD2-CG2 4.08Å; Y108-I113 HydrophobicContact CE2-CD1 3.95Å; Y108-N125 HydrophobicContact CD1-CB 4.35Å; Y108-V357 HydrophobicContact CD1-CB 4.41Å; Y108-V357 HydrophobicContact CD1-CG1 4.18Å; Y108-V357 HydrophobicContact CD1-CG2 4.17Å; Y108-V357 HydrophobicContact CD2-CG2 4.44Å; Y108-V357 HydrophobicContact CE1-CB 4.29Å; Y108-V357 HydrophobicContact CE1-CG1 4.07Å; Y108-V357 HydrophobicContact CE1-CG2 4.5Å; Y108-V357 HydrophobicContact CG-CG2 4.14Å
109	D	97.7	Very high	97.7	Very high	61 Å²	61	26.9 Å²	26.9	33%	0.326	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	178	49.1	-67.6	0	0	0	113.4	I111 L245 R272	D109-I111 PolarHBondContact O-N 3.46Å; D109-L245 HydrophobicContact CB-CB 3.99Å; D109-L245 HydrophobicContact CB-CD2 4.32Å; D109-L245 HydrophobicContact CB-CG 4.39Å; D109-R272 IonicContact OD1-CZ 3.83Å; D109-R272 IonicContact OD1-NE 2.78Å; D109-R272 PolarHBondContact OD1-NE 2.96Å; D109-R272 IonicContact OD1-NH2 2.71Å; D109-R272 WeakPolarHBondContact OD2-CD 3.44Å; D109-R272 IonicContact OD2-NE 2.69Å; D109-R272 PolarHBondContact OD2-NE 2.77Å
110	N	98.1	Very high	97.6	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.07	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	7.3	174	66.1	-40.3	0	0	0	114	M81 Y82 I85 T86 L87 R103 Y108	M81-N110 WeakPolarHBondContact CE-ND2 3.39Å; Y82-N110 PolarHBondContact O-ND2 3.27Å; I85-N110 PolarHBondContact O-ND2 3.27Å; T86-N110 CarbonylContact C-O 3.59Å; T86-N110 VanDerWaalsContact CA-O 3.32Å; T86-N110 WeakPolarHBondContact CA-O 3.39Å; L87-N110 PolarHBondContact N-O 3.19Å; R103-N110 WeakPolarHBondContact CD-OD1 3.43Å; R103-N110 PolarHBondContact NE-OD1 3.49Å; Y108-N110 PolarHBondContact O-N 3.11Å
111	I	98.7	Very high	97.6	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.046	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-128.7	130.8	175.7	-56.5	169.8	0	0	0	108.5	M81 I101 R103 Y108 D109 I113 V123	M81-I111 HydrophobicContact CE-CD1 4.13Å; M81-I111 HydrophobicContact CE-CG1 3.81Å; M81-I111 HydrophobicContact CG-CD1 4.49Å; M81-I111 HydrophobicContact SD-CD1 3.76Å; M81-I111 HydrophobicContact SD-CG1 3.97Å; I101-I111 HydrophobicContact CD1-CG2 4.5Å; I101-I111 HydrophobicContact CG2-CD1 3.62Å; R103-I111 HydrophobicContact CG-CD1 3.43Å; R103-I111 VanDerWaalsContact CG-CD1 3.43Å; R103-I111 HydrophobicContact CG-CG1 4.46Å; Y108-I111 PolarHBondContact O-N 3.11Å; Y108-I111 VanDerWaalsContact O-N 3.15Å; D109-I111 PolarHBondContact O-N 3.46Å; I111-I113 VanDerWaalsContact C-N 3.26Å; I111-I113 HydrophobicContact CB-CG2 4.27Å; I111-I113 HydrophobicContact CG2-CG2 4.27Å; I111-I113 PolarHBondContact O-N 3.14Å; I111-V123 HydrophobicContact CD1-CG1 3.91Å; I111-V123 HydrophobicContact CG2-CG2 4.08Å
112	D	98.3	Very high	97.6	Very high	59 Å²	59	25.9 Å²	25.9	32%	0.316	14%	0.141	S	C	.	.			trans	-70.8	84.9	166.1	-173.7	-18.9	0	0	0	109.7	L87 L92 K114 A115 A116	L87-D112 PolarHBondContact O-N 2.87Å; L92-D112 HydrophobicContact CD1-CB 4.33Å; L92-D112 WeakPolarHBondContact CD1-O 3.41Å; D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 PolarHBondContact OD1-N 3.09Å; D112-A115 HydrophobicContact CB-CB 3.94Å; D112-A115 PolarHBondContact O-N 2.96Å; D112-A115 WeakPolarHBondContact OD1-CB 3.22Å; D112-A115 PolarHBondContact OD1-N 3.18Å; D112-A115 WeakPolarHBondContact OD2-CB 3.46Å; D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 3.36Å
113	I	98	Very high	97.6	Very high	29 Å²	29	25.9 Å²	25.9	15%	0.149	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-24.8	-174.8	64	169.6	0	0	0	113.1	Y108 I111 G117 V123 V357 N358 F361	Y108-I113 HydrophobicContact CD2-CD1 4.13Å; Y108-I113 HydrophobicContact CD2-CG2 4.08Å; Y108-I113 HydrophobicContact CE2-CD1 3.95Å; I111-I113 VanDerWaalsContact C-N 3.26Å; I111-I113 HydrophobicContact CB-CG2 4.27Å; I111-I113 HydrophobicContact CG2-CG2 4.27Å; I111-I113 PolarHBondContact O-N 3.14Å; I113-G117 PolarHBondContact O-N 3.46Å; I113-G117 VanDerWaalsContact O-N 3.07Å; I113-V123 HydrophobicContact CG2-CB 4.18Å; I113-V123 HydrophobicContact CG2-CG1 4.01Å; I113-V123 HydrophobicContact CG2-CG2 4.19Å; I113-V357 HydrophobicContact CG2-CG2 4.47Å; I113-N358 HydrophobicContact CB-CB 3.94Å; I113-N358 PolarHBondContact O-ND2 3.3Å; I113-N358 VanDerWaalsContact O-ND2 3.08Å; I113-F361 HydrophobicContact CD1-CE2 4.23Å; I113-F361 HydrophobicContact CG1-CE2 4.26Å
114	K	97.2	Very high	97.6	Very high	89 Å²	89	25.7 Å²	25.7	39%	0.387	14%	0.14	S	C	.	.	H	α-helix	trans	-73.4	-50.1	176.1	178.9	173.7	-177.5	-67.2	0	110	D112 A116 G117 E118 F361	D112-K114 PolarHBondContact O-N 3.14Å; D112-K114 PolarHBondContact OD1-N 3.09Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.25Å; K114-G117 PolarHBondContact O-N 2.9Å; K114-E118 IonicContact NZ-OE1 2.67Å; K114-E118 PolarHBondContact NZ-OE1 3.36Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.42Å; K114-F361 HydrophobicContact CB-CD1 4.15Å; K114-F361 HydrophobicContact CB-CD2 4.5Å; K114-F361 HydrophobicContact CB-CE1 4.12Å; K114-F361 HydrophobicContact CB-CE2 4.47Å; K114-F361 HydrophobicContact CB-CG 4.34Å; K114-F361 HydrophobicContact CB-CZ 4.27Å; K114-F361 HydrophobicContact CD-CD1 4.41Å; K114-F361 HydrophobicContact CD-CE1 4.11Å; K114-F361 HydrophobicContact CG-CD1 3.76Å; K114-F361 HydrophobicContact CG-CE1 3.87Å; K114-F361 HydrophobicContact CG-CG 4.31Å
115	A	97.6	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-41.3	172.6	0	0	0	0	0	111.9	R89 L92 D112 G117 E118 L119	R89-A115 HydrophobicContact CB-CB 3.78Å; R89-A115 HydrophobicContact CG-CB 4.04Å; R89-A115 VanDerWaalsContact CZ-CB 3.48Å; L92-A115 HydrophobicContact CD1-CB 4.08Å; D112-A115 HydrophobicContact CB-CB 3.94Å; D112-A115 PolarHBondContact O-N 2.96Å; D112-A115 WeakPolarHBondContact OD1-CB 3.22Å; D112-A115 PolarHBondContact OD1-N 3.18Å; D112-A115 WeakPolarHBondContact OD2-CB 3.46Å; A115-G117 PolarHBondContact O-N 3.4Å; A115-E118 PolarHBondContact O-N 3.44Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.4Å; A115-L119 PolarHBondContact O-N 3.39Å
116	A	98.1	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-48.9	175.9	0	0	0	0	0	111.4	L92 D112 K114 E118 L119 G120 I121 V123	L92-A116 HydrophobicContact CD1-CB 3.96Å; D112-A116 WeakPolarHBondContact O-CB 3.33Å; D112-A116 PolarHBondContact O-N 3.36Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.25Å; A116-E118 PolarHBondContact O-N 3.34Å; A116-L119 CarbonylContact O-C 3.56Å; A116-L119 PolarHBondContact O-N 2.96Å; A116-G120 PolarHBondContact O-N 3.49Å; A116-I121 CarbonylContact C-O 3.47Å; A116-I121 VanDerWaalsContact C-O 3.28Å; A116-I121 HydrophobicContact CB-CB 4.11Å; A116-I121 HydrophobicContact CB-CG2 4.49Å; A116-I121 WeakPolarHBondContact O-CA 3.42Å; A116-I121 WeakPolarHBondContact O-CB 3.44Å; A116-I121 PolarHBondContact O-N 2.85Å; A116-V123 HydrophobicContact CB-CG2 3.65Å
117	G	97.1	Very high	97.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-42.3	179	0	0	0	0	0	113.4	I113 K114 A115 L119 G120 N358 F361	I113-G117 PolarHBondContact O-N 3.46Å; I113-G117 VanDerWaalsContact O-N 3.07Å; K114-G117 PolarHBondContact O-N 2.9Å; A115-G117 PolarHBondContact O-N 3.4Å; G117-L119 VanDerWaalsContact C-N 3.25Å; G117-L119 PolarHBondContact O-N 3.41Å; G117-G120 PolarHBondContact O-N 3.2Å; G117-N358 PolarHBondContact N-ND2 3.36Å; G117-F361 CarbonylContact C-O 3.53Å; G117-F361 VanDerWaalsContact C-O 3.3Å
118	E	95.8	Very high	97.6	Very high	79 Å²	79	26.3 Å²	26.3	37%	0.369	14%	0.138	S	C	.	.	H	α-helix	trans	-61.9	-32.6	175.1	-69.9	171.2	-165.3	0	0	112.5	R89 K114 A115 A116 G120	R89-E118 IonicContact CZ-OE2 3.72Å; R89-E118 VanDerWaalsContact CZ-OE2 3.23Å; R89-E118 IonicContact NH1-OE2 3.99Å; R89-E118 PolarHBondContact NH1-OE2 2.97Å; R89-E118 IonicContact NH2-OE1 2.76Å; R89-E118 IonicContact NH2-OE2 3.55Å; R89-E118 PolarHBondContact NH2-OE2 3.15Å; K114-E118 IonicContact NZ-OE1 2.67Å; K114-E118 PolarHBondContact NZ-OE1 3.36Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.42Å; A115-E118 PolarHBondContact O-N 3.44Å; A116-E118 PolarHBondContact O-N 3.34Å; E118-G120 VanDerWaalsContact C-N 3.26Å; E118-G120 PolarHBondContact O-N 3.01Å
119	L	96.1	Very high	97.2	Very high	31 Å²	31	23.7 Å²	23.7	16%	0.162	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.6	175.1	-65.9	170.5	0	0	0	113.6	R22 L92 E93 A115 A116 G117 I121	R22-L119 PolarHBondContact NH1-O 3.02Å; L92-L119 HydrophobicContact CB-CD1 3.62Å; E93-L119 HydrophobicContact CG-CD1 3.99Å; E93-L119 HydrophobicContact CG-CD2 4.16Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.4Å; A115-L119 PolarHBondContact O-N 3.39Å; A116-L119 CarbonylContact O-C 3.56Å; A116-L119 PolarHBondContact O-N 2.96Å; G117-L119 VanDerWaalsContact C-N 3.25Å; G117-L119 PolarHBondContact O-N 3.41Å; L119-I121 HydrophobicContact CB-CD1 4.03Å; L119-I121 HydrophobicContact CB-CG1 4.14Å
120	G	95.8	Very high	97.3	Very high	13 Å²	13	21.4 Å²	21.4	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	25.9	-178.9	0	0	0	0	0	114.1	A116 G117 E118	A116-G120 PolarHBondContact O-N 3.49Å; G117-G120 PolarHBondContact O-N 3.2Å; E118-G120 VanDerWaalsContact C-N 3.26Å; E118-G120 PolarHBondContact O-N 3.01Å
121	I	98.1	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.			trans	-105.5	117	-179.5	-51.8	173.5	0	0	0	108.8	L92 L98 I101 A116 L119 N358	L92-I121 HydrophobicContact CD2-CD1 4.25Å; L98-I121 HydrophobicContact CD2-CD1 4.31Å; L98-I121 HydrophobicContact CD2-CG2 4.32Å; L98-I121 HydrophobicContact CG-CG2 4.23Å; I101-I121 HydrophobicContact CD1-CG2 3.77Å; I101-I121 HydrophobicContact CG1-CG2 3.85Å; A116-I121 CarbonylContact C-O 3.47Å; A116-I121 VanDerWaalsContact C-O 3.28Å; A116-I121 HydrophobicContact CB-CB 4.11Å; A116-I121 HydrophobicContact CB-CG2 4.49Å; A116-I121 WeakPolarHBondContact O-CA 3.42Å; A116-I121 WeakPolarHBondContact O-CB 3.44Å; A116-I121 PolarHBondContact O-N 2.85Å; L119-I121 HydrophobicContact CB-CD1 4.03Å; L119-I121 HydrophobicContact CB-CG1 4.14Å; I121-N358 PolarHBondContact O-ND2 2.83Å
122	A	98.4	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.4	172.2	0	0	0	0	0	110.3	R99 I100 I101 I349 L353 F362	R99-A122 PolarHBondContact O-N 3.44Å; I100-A122 CarbonylContact C-O 3.54Å; I100-A122 VanDerWaalsContact CA-O 3.3Å; I100-A122 WeakPolarHBondContact CA-O 3.42Å; I100-A122 HydrophobicContact CG1-CB 4.19Å; I101-A122 PolarHBondContact N-O 3.34Å; A122-I349 HydrophobicContact CB-CG2 3.59Å; A122-L353 HydrophobicContact CB-CD1 3.53Å; A122-F362 HydrophobicContact CB-CE2 4.38Å; A122-F362 HydrophobicContact CB-CZ 3.78Å
123	V	98.8	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.5	170.7	-175.7	0	0	0	0	108	I101 I111 I113 A116 C356 V357 N358	I101-V123 CarbonylContact O-C 3.59Å; I101-V123 WeakPolarHBondContact O-CA 3.32Å; I111-V123 HydrophobicContact CD1-CG1 3.91Å; I111-V123 HydrophobicContact CG2-CG2 4.08Å; I113-V123 HydrophobicContact CG2-CB 4.18Å; I113-V123 HydrophobicContact CG2-CG1 4.01Å; I113-V123 HydrophobicContact CG2-CG2 4.19Å; A116-V123 HydrophobicContact CB-CG2 3.65Å; V123-C356 CarbonylContact O-C 3.53Å; V123-C356 VanDerWaalsContact O-CA 3.31Å; V123-C356 WeakPolarHBondContact O-CA 3.03Å; V123-V357 HydrophobicContact CB-CG2 4.05Å; V123-V357 HydrophobicContact CG1-CG2 3.88Å; V123-V357 WeakPolarHBondContact O-CG2 3.49Å; V123-V357 PolarHBondContact O-N 2.92Å; V123-N358 HydrophobicContact CB-CB 4.48Å; V123-N358 PolarHBondContact N-OD1 2.86Å
124	C	98.8	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.4	170.2	-61.2	0	0	0	0	111.1	I101 I102 R103 E340 N355 C356	I101-C124 PolarHBondContact O-N 3.4Å; I102-C124 HydrophobicContact CD1-CB 3.59Å; R103-C124 PolarHBondContact N-O 2.8Å; C124-E340 HydrophobicContact CB-CG 3.99Å; C124-E340 PolarHBondContact SG-OE1 3.4Å; C124-E340 VanDerWaalsContact SG-OE1 3.36Å; C124-N355 WeakPolarHBondContact CA-O 3.46Å; C124-N355 WeakPolarHBondContact CB-O 3.41Å; C124-C356 VanDerWaalsContact SG-CA 3.54Å
125	N	98.6	Very high	97.4	Very high	15 Å²	15	21.8 Å²	21.8	8%	0.08	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	174.1	171.1	72.8	-12.5	0	0	0	111.7	R103 G105 S106 Y108 P127 N355 V357	R103-N125 HydrophobicContact CB-CB 4.36Å; G105-N125 WeakPolarHBondContact O-CB 3.4Å; S106-N125 PolarHBondContact O-ND2 3.45Å; Y108-N125 HydrophobicContact CD1-CB 4.35Å; N125-P127 WeakPolarHBondContact O-CD 3.3Å; N125-N355 PolarHBondContact N-O 3.19Å; N125-N355 WeakPolarHBondContact O-CB 3.35Å; N125-V357 HydrophobicContact CB-CG1 4.35Å
126	I	98.6	Very high	97.5	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.051	14%	0.144	C	C	.	.			trans	-113.1	93.1	170.6	-50.7	-57.6	0	0	0	108.8	I102 R103 G105 S106 S128 A129 M333 A336 A337	I102-I126 HydrophobicContact CG2-CD1 4.4Å; R103-I126 PolarHBondContact O-N 3.34Å; G105-I126 CarbonylContact C-O 3.51Å; G105-I126 PolarHBondContact O-N 3.04Å; S106-I126 WeakPolarHBondContact CA-O 3.44Å; S106-I126 PolarHBondContact N-O 3.08Å; I126-S128 PolarHBondContact O-N 3.23Å; I126-A129 HydrophobicContact CG2-CB 3.83Å; I126-M333 HydrophobicContact CB-CB 4.44Å; I126-M333 HydrophobicContact CG2-CB 4.05Å; I126-A336 HydrophobicContact CD1-CB 3.82Å; I126-A336 HydrophobicContact CG1-CB 4.44Å; I126-A336 HydrophobicContact CG2-CB 4Å; I126-A337 HydrophobicContact CD1-CB 4.23Å; I126-A337 HydrophobicContact CG1-CB 4.24Å
127	P	96.6	Very high	97.5	Very high	13 Å²	13	27.6 Å²	27.6	8%	0.084	16%	0.156	C	C	.	.			trans	-84	-10.1	-164.6	32.2	-36.9	0	0	0	115.2	N125 R190 N355	N125-P127 WeakPolarHBondContact O-CD 3.3Å; P127-R190 VanDerWaalsContact O-CD 3.29Å; P127-R190 WeakPolarHBondContact O-CD 3.19Å; P127-N355 WeakPolarHBondContact CD-ND2 3.3Å
128	S	94.7	Very high	97.6	Very high	69 Å²	69	27.5 Å²	27.5	48%	0.483	16%	0.156	S	C	.	.	S	Bend	trans	-116.7	-17.6	-168.3	54.8	0	0	0	0	115.9	I126 A130	I126-S128 PolarHBondContact O-N 3.23Å; S128-A130 VanDerWaalsContact C-N 3.3Å; S128-A130 PolarHBondContact O-N 3.34Å
129	A	91.4	Very high	97.8	Very high	6 Å²	6	24.2 Å²	24.2	5%	0.05	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.1	-163.5	0	0	0	0	0	115.8	I126 A329 E332 M333	I126-A129 HydrophobicContact CG2-CB 3.83Å; A129-A329 VanDerWaalsContact O-CB 3.26Å; A129-A329 WeakPolarHBondContact O-CB 3.41Å; A129-E332 HydrophobicContact CB-CB 4.42Å; A129-E332 HydrophobicContact CB-CG 4.24Å; A129-M333 HydrophobicContact CB-CB 3.62Å; A129-M333 HydrophobicContact CB-CE 4.36Å
130	A	97.8	Very high	97.9	Very high	14 Å²	14	25.9 Å²	25.9	12%	0.116	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	26.8	-176	0	0	0	0	0	112.6	S128 E133 T134 W324 A329 M333	S128-A130 VanDerWaalsContact C-N 3.3Å; S128-A130 PolarHBondContact O-N 3.34Å; A130-E133 WeakPolarHBondContact CA-OE2 3.22Å; A130-T134 VanDerWaalsContact O-CB 3.28Å; A130-T134 WeakPolarHBondContact O-CB 3.49Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 VanDerWaalsContact O-N 3.09Å; A130-T134 PolarHBondContact O-OG1 3.4Å; A130-W324 HydrophobicContact CB-CB 3.84Å; A130-W324 WeakPolarHBondContact CB-O 2.84Å; A130-A329 HydrophobicContact CB-CB 4.21Å; A130-M333 HydrophobicContact CB-CE 4.15Å
131	V	98.8	Very high	98.1	Very high	26 Å²	26	25.9 Å²	25.9	16%	0.158	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-44.7	-176.8	171.2	0	0	0	0	110.7	A135 R190 T191 A194	V131-A135 WeakPolarHBondContact O-CB 3.2Å; V131-A135 PolarHBondContact O-N 3.47Å; V131-A135 VanDerWaalsContact O-N 3.16Å; V131-R190 HydrophobicContact CG1-CB 3.89Å; V131-R190 HydrophobicContact CG2-CB 3.84Å; V131-T191 HydrophobicContact CG1-CG2 4.46Å; V131-A194 HydrophobicContact CG1-CB 4.17Å
132	E	98.8	Very high	98.1	Very high	111 Å²	111	25.9 Å²	25.9	52%	0.519	15%	0.15	S	C	.	.	H	α-helix	trans	-76.6	-42.6	-177.2	-61.2	-145.9	104.8	0	0	111.6	T134 A135 D136 R198	E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.89Å; E132-A135 CarbonylContact O-C 3.56Å; E132-A135 WeakPolarHBondContact O-CB 3.29Å; E132-A135 PolarHBondContact O-N 3.39Å; E132-D136 WeakPolarHBondContact O-CB 3.15Å; E132-D136 VanDerWaalsContact O-CG 3.29Å; E132-D136 PolarHBondContact O-N 3.37Å; E132-R198 IonicContact OE1-CZ 3.55Å; E132-R198 IonicContact OE1-NH1 2.77Å; E132-R198 PolarHBondContact OE1-NH1 2.99Å; E132-R198 IonicContact OE1-NH2 3.49Å; E132-R198 PolarHBondContact OE1-NH2 3.3Å
133	E	98.9	Very high	98.1	Very high	51 Å²	51	27.7 Å²	27.7	24%	0.238	16%	0.16	C	C	.	.	H	α-helix	trans	-54.6	-45.1	173.6	-74.4	75.8	-175.6	0	0	111.5	A130 A135 D136 S137 A323 S326 A329	A130-E133 WeakPolarHBondContact CA-OE2 3.22Å; E133-A135 PolarHBondContact O-N 3.06Å; E133-D136 PolarHBondContact O-N 2.93Å; E133-S137 VanDerWaalsContact O-CB 3.3Å; E133-S137 WeakPolarHBondContact O-CB 3.17Å; E133-S137 PolarHBondContact O-N 3.41Å; E133-S137 PolarHBondContact O-OG 3.09Å; E133-A323 CarbonylContact C-O 3.5Å; E133-A323 VanDerWaalsContact O-O 3.1Å; E133-S326 PolarHBondContact OE1-OG 2.8Å; E133-A329 HydrophobicContact CG-CB 4.23Å
134	T	98.9	Very high	98.1	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-39.2	178.6	-55.3	0	0	0	0	111.1	A130 E132 T138 T191 A323	A130-T134 VanDerWaalsContact O-CB 3.28Å; A130-T134 WeakPolarHBondContact O-CB 3.49Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 VanDerWaalsContact O-N 3.09Å; A130-T134 PolarHBondContact O-OG1 3.4Å; E132-T134 VanDerWaalsContact C-N 3.28Å; E132-T134 PolarHBondContact O-N 2.89Å; T134-T138 WeakPolarHBondContact O-CB 3.46Å; T134-T138 PolarHBondContact O-N 3.13Å; T134-T138 PolarHBondContact O-OG1 3.05Å; T134-T191 HydrophobicContact CG2-CG2 4.03Å; T134-A323 VanDerWaalsContact CA-O 3.26Å; T134-A323 WeakPolarHBondContact CA-O 3.42Å; T134-A323 HydrophobicContact CG2-CB 4.27Å; T134-A323 PolarHBondContact N-O 3.16Å; T134-A323 VanDerWaalsContact N-O 3.15Å
135	A	98.9	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-42	177	0	0	0	0	0	112	V131 E132 E133 T138 L139 A194 V195	V131-A135 WeakPolarHBondContact O-CB 3.2Å; V131-A135 PolarHBondContact O-N 3.47Å; V131-A135 VanDerWaalsContact O-N 3.16Å; E132-A135 CarbonylContact O-C 3.56Å; E132-A135 WeakPolarHBondContact O-CB 3.29Å; E132-A135 PolarHBondContact O-N 3.39Å; E133-A135 PolarHBondContact O-N 3.06Å; A135-T138 WeakPolarHBondContact O-CB 3.18Å; A135-T138 PolarHBondContact O-N 2.97Å; A135-L139 WeakPolarHBondContact O-CD2 3.45Å; A135-L139 PolarHBondContact O-N 3.47Å; A135-A194 HydrophobicContact CB-CB 3.62Å; A135-V195 HydrophobicContact CB-CG2 3.77Å
136	D	98.9	Very high	98.2	Very high	84 Å²	84	28 Å²	28	45%	0.449	16%	0.162	S	C	.	.	H	α-helix	trans	-63.1	-45.8	176.6	-71.5	-13.9	0	0	0	110.8	E132 E133 T138 L139 C140 R198	E132-D136 WeakPolarHBondContact O-CB 3.15Å; E132-D136 VanDerWaalsContact O-CG 3.29Å; E132-D136 PolarHBondContact O-N 3.37Å; E133-D136 PolarHBondContact O-N 2.93Å; D136-T138 VanDerWaalsContact C-N 3.33Å; D136-T138 PolarHBondContact O-N 3.16Å; D136-L139 PolarHBondContact O-N 3.24Å; D136-C140 WeakPolarHBondContact O-CB 3.34Å; D136-C140 PolarHBondContact O-N 3.08Å; D136-R198 IonicContact OD1-CZ 2.87Å; D136-R198 IonicContact OD1-NE 3.43Å; D136-R198 PolarHBondContact OD1-NE 3.3Å; D136-R198 IonicContact OD1-NH2 3.46Å; D136-R198 PolarHBondContact OD1-NH2 3.46Å
137	S	98.9	Very high	98.2	Very high	37 Å²	37	32.1 Å²	32.1	26%	0.259	18%	0.176	S	C	.	.	H	α-helix	trans	-62.2	-39.7	175.2	-62.9	0	0	0	0	112	E133 C140 H141 A323	E133-S137 VanDerWaalsContact O-CB 3.3Å; E133-S137 WeakPolarHBondContact O-CB 3.17Å; E133-S137 PolarHBondContact O-N 3.41Å; E133-S137 PolarHBondContact O-OG 3.09Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 2.8Å; S137-H141 PolarHBondContact O-CD2 3.07Å; S137-H141 PolarHBondContact O-N 3.32Å; S137-A323 PolarHBondContact OG-O 3.04Å
138	T	98.9	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-47.8	174.3	-58.1	0	0	0	0	111.1	T134 A135 D136 C140 H141 V142 V195 S240 H242 V268 T270	T134-T138 WeakPolarHBondContact O-CB 3.46Å; T134-T138 PolarHBondContact O-N 3.13Å; T134-T138 PolarHBondContact O-OG1 3.05Å; A135-T138 WeakPolarHBondContact O-CB 3.18Å; A135-T138 PolarHBondContact O-N 2.97Å; D136-T138 VanDerWaalsContact C-N 3.33Å; D136-T138 PolarHBondContact O-N 3.16Å; T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 2.9Å; T138-H141 WeakPolarHBondContact O-CB 3.13Å; T138-H141 PolarHBondContact O-N 2.82Å; T138-V142 WeakPolarHBondContact O-CG2 3.49Å; T138-V142 PolarHBondContact O-N 2.99Å; T138-V195 HydrophobicContact CG2-CG1 4.4Å; T138-V195 HydrophobicContact CG2-CG2 3.96Å; T138-S240 WeakPolarHBondContact CG2-OG 3.48Å; T138-H242 VanDerWaalsContact CG2-CE1 3.49Å; T138-H242 WeakPolarHBondContact CG2-CE1 3.24Å; T138-V268 HydrophobicContact CG2-CG1 4.12Å; T138-T270 PolarHBondContact OG1-OG1 2.93Å
139	L	98.9	Very high	98.5	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-37.1	177.6	-95.5	-60.7	0	0	0	111.4	A135 D136 H141 V142 L143 V195 R198 A199 F202	A135-L139 WeakPolarHBondContact O-CD2 3.45Å; A135-L139 PolarHBondContact O-N 3.47Å; D136-L139 PolarHBondContact O-N 3.24Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.41Å; L139-V142 PolarHBondContact O-N 3.13Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.72Å; L139-V195 HydrophobicContact CD2-CB 4.04Å; L139-V195 HydrophobicContact CD2-CG1 3.7Å; L139-V195 HydrophobicContact CD2-CG2 4Å; L139-R198 HydrophobicContact CD2-CB 3.99Å; L139-R198 HydrophobicContact CG-CB 3.96Å; L139-A199 HydrophobicContact CD1-CB 4.31Å; L139-F202 HydrophobicContact CD1-CD2 4.44Å; L139-F202 HydrophobicContact CD1-CE2 4.45Å
140	C	98.9	Very high	98.8	Very high	66 Å²	66	36.2 Å²	36.2	45%	0.446	19%	0.191	S	C	.	.	H	α-helix	trans	-57	-48.1	172.2	-172.9	0	0	0	0	111	D136 S137 T138 L143 N144	D136-C140 WeakPolarHBondContact O-CB 3.34Å; D136-C140 PolarHBondContact O-N 3.08Å; S137-C140 WeakPolarHBondContact O-CB 3.45Å; S137-C140 PolarHBondContact O-N 2.8Å; T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 2.9Å; C140-L143 PolarHBondContact O-N 2.87Å; C140-N144 WeakPolarHBondContact O-CB 3.32Å; C140-N144 VanDerWaalsContact O-CG 3.22Å; C140-N144 PolarHBondContact O-N 3.33Å; C140-N144 PolarHBondContact O-ND2 3.31Å; C140-N144 VanDerWaalsContact O-ND2 3.12Å; C140-N144 PolarHBondContact SG-ND2 3.24Å
141	H	98.9	Very high	98.9	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-47.7	175.4	-77.5	-38.7	0	0	0	113.1	S137 T138 L139 L143 N144 L145 V268 A294 T319	S137-H141 PolarHBondContact O-CD2 3.07Å; S137-H141 PolarHBondContact O-N 3.32Å; T138-H141 WeakPolarHBondContact O-CB 3.13Å; T138-H141 PolarHBondContact O-N 2.82Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.41Å; H141-L143 PolarHBondContact O-N 3.46Å; H141-N144 PolarHBondContact O-N 2.9Å; H141-L145 WeakPolarHBondContact O-CG 3.37Å; H141-L145 PolarHBondContact O-N 3.36Å; H141-V268 HydrophobicContact CB-CG1 3.97Å; H141-A294 HydrophobicContact CB-CB 3.72Å; H141-T319 PolarHBondContact CE1-OG1 3.22Å; H141-T319 PolarHBondContact NE2-OG1 3.23Å
142	V	98.9	Very high	98.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-50.3	175	171.9	0	0	0	0	110.5	T138 L139 N144 L145 Y146 F204 V268	T138-V142 WeakPolarHBondContact O-CG2 3.49Å; T138-V142 PolarHBondContact O-N 2.99Å; L139-V142 PolarHBondContact O-N 3.13Å; V142-N144 VanDerWaalsContact C-N 3.32Å; V142-N144 PolarHBondContact O-N 3.34Å; V142-L145 PolarHBondContact O-N 2.69Å; V142-Y146 HydrophobicContact CG1-CD2 3.88Å; V142-Y146 HydrophobicContact CG1-CE2 4.1Å; V142-Y146 WeakPolarHBondContact O-CD2 3.34Å; V142-Y146 PolarHBondContact O-N 3.41Å; V142-F204 HydrophobicContact CG1-CE2 3.92Å; V142-F204 HydrophobicContact CG1-CZ 3.68Å; V142-V268 HydrophobicContact CG2-CG2 3.89Å
143	L	98.9	Very high	98.9	Very high	39 Å²	39	39.1 Å²	39.1	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-36.1	179.7	-67.4	176	0	0	0	112.2	L139 C140 H141 L145 Y146 R147 I178 F202	L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.72Å; C140-L143 PolarHBondContact O-N 2.87Å; H141-L143 PolarHBondContact O-N 3.46Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.16Å; L143-Y146 PolarHBondContact O-N 2.8Å; L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 VanDerWaalsContact O-CG 3.32Å; L143-R147 WeakPolarHBondContact O-CG 3.34Å; L143-R147 PolarHBondContact O-N 2.86Å; L143-I178 HydrophobicContact CD2-CD1 3.42Å; L143-I178 VanDerWaalsContact CD2-CD1 3.42Å; L143-F202 HydrophobicContact CD1-CE1 3.81Å; L143-F202 HydrophobicContact CD1-CZ 3.79Å; L143-F202 HydrophobicContact CD2-CD1 3.88Å; L143-F202 HydrophobicContact CD2-CE1 3.87Å; L143-F202 HydrophobicContact CD2-CG 4.48Å; L143-F202 HydrophobicContact CD2-CZ 4.46Å; L143-F202 HydrophobicContact CG-CE1 4.48Å
144	N	98.9	Very high	98.9	Very high	21 Å²	21	40.9 Å²	40.9	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-38.1	174.9	-78.8	-34.4	0	0	0	112.1	C140 H141 V142 R148 N149 T150 I317	C140-N144 WeakPolarHBondContact O-CB 3.32Å; C140-N144 VanDerWaalsContact O-CG 3.22Å; C140-N144 PolarHBondContact O-N 3.33Å; C140-N144 PolarHBondContact O-ND2 3.31Å; C140-N144 VanDerWaalsContact O-ND2 3.12Å; C140-N144 PolarHBondContact SG-ND2 3.24Å; H141-N144 PolarHBondContact O-N 2.9Å; V142-N144 VanDerWaalsContact C-N 3.32Å; V142-N144 PolarHBondContact O-N 3.34Å; N144-R148 WeakPolarHBondContact O-CA 3.34Å; N144-R148 PolarHBondContact O-N 2.93Å; N144-N149 WeakPolarHBondContact OD1-CB 3.5Å; N144-T150 VanDerWaalsContact CG-OG1 3.25Å; N144-T150 PolarHBondContact ND2-OG1 3.4Å; N144-T150 PolarHBondContact OD1-OG1 2.93Å; N144-I317 HydrophobicContact CB-CD1 3.75Å
145	L	98.9	Very high	98.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-48.7	173.8	-66.7	177.3	0	0	0	111.6	H141 V142 L143 R147 W151 F266 V268 A294 I317	H141-L145 WeakPolarHBondContact O-CG 3.37Å; H141-L145 PolarHBondContact O-N 3.36Å; V142-L145 PolarHBondContact O-N 2.69Å; L143-L145 VanDerWaalsContact C-N 3.33Å; L143-L145 PolarHBondContact O-N 3.16Å; L145-R147 PolarHBondContact O-N 3.3Å; L145-W151 HydrophobicContact CD2-CH2 3.64Å; L145-W151 HydrophobicContact CD2-CZ2 4.16Å; L145-W151 HydrophobicContact CD2-CZ3 4.44Å; L145-F266 HydrophobicContact CB-CD1 3.83Å; L145-F266 HydrophobicContact CB-CD2 4.34Å; L145-F266 HydrophobicContact CB-CE1 3.89Å; L145-F266 HydrophobicContact CB-CE2 4.39Å; L145-F266 HydrophobicContact CB-CG 4.05Å; L145-F266 HydrophobicContact CB-CZ 4.15Å; L145-F266 HydrophobicContact CD1-CB 3.93Å; L145-F266 HydrophobicContact CD1-CD1 4.04Å; L145-F266 HydrophobicContact CD1-CG 4.13Å; L145-F266 HydrophobicContact CD2-CD1 4.31Å; L145-F266 HydrophobicContact CD2-CE1 4.49Å; L145-F266 HydrophobicContact CG-CD1 4.29Å; L145-F266 WeakPolarHBondContact O-CZ 3.46Å; L145-V268 HydrophobicContact CD1-CG2 3.69Å; L145-A294 HydrophobicContact CD1-CB 3.95Å; L145-A294 HydrophobicContact CD2-CB 4.28Å; L145-A294 HydrophobicContact CG-CB 4.12Å; L145-I317 HydrophobicContact CD2-CD1 4.13Å
146	Y	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-32.9	-177.6	-89	-86.2	0	0	0	113.9	V142 L143 A175 A176 I178 E181 F204 C238 F266	V142-Y146 HydrophobicContact CG1-CD2 3.88Å; V142-Y146 HydrophobicContact CG1-CE2 4.1Å; V142-Y146 WeakPolarHBondContact O-CD2 3.34Å; V142-Y146 PolarHBondContact O-N 3.41Å; L143-Y146 PolarHBondContact O-N 2.8Å; Y146-A175 CarbonylContact O-C 3.51Å; Y146-A175 WeakPolarHBondContact O-CA 3.28Å; Y146-A176 HydrophobicContact CD1-CB 3.91Å; Y146-A176 HydrophobicContact CE1-CB 4.2Å; Y146-A176 PolarHBondContact O-N 2.86Å; Y146-I178 HydrophobicContact CD1-CG1 3.79Å; Y146-I178 HydrophobicContact CG-CG1 3.84Å; Y146-E181 HydrophobicContact CE1-CB 4.33Å; Y146-E181 HydrophobicContact CE1-CG 3.71Å; Y146-E181 VanDerWaalsContact CE1-OE2 3.23Å; Y146-E181 WeakPolarHBondContact CE1-OE2 3.34Å; Y146-E181 PolarHBondContact OH-OE2 3.43Å; Y146-F204 HydrophobicContact CD2-CZ 4.05Å; Y146-F204 AromaticContact CE2-CE1 3.87Å; Y146-F204 HydrophobicContact CE2-CE1 3.87Å; Y146-F204 AromaticContact CE2-CZ 3.67Å; Y146-F204 HydrophobicContact CE2-CZ 3.67Å; Y146-F204 AromaticContact CZ-CE1 3.85Å; Y146-C238 HydrophobicContact CE2-CB 3.89Å; Y146-F266 HydrophobicContact CD1-CE2 4.17Å; Y146-F266 HydrophobicContact CD2-CD2 4.03Å; Y146-F266 HydrophobicContact CD2-CE2 4.09Å; Y146-F266 HydrophobicContact CE1-CD2 4.33Å; Y146-F266 HydrophobicContact CE1-CE2 4.12Å; Y146-F266 AromaticContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CE2 4.08Å; Y146-F266 HydrophobicContact CG-CE2 4.14Å; Y146-F266 AromaticContact CZ-CD2 3.83Å
147	R	98.8	Very high	98.8	Very high	96 Å²	96	51.1 Å²	51.1	36%	0.362	25%	0.245	S	C	.	.	H	α-helix	trans	-111.2	-8.7	-172.7	-51.7	-72.8	64.4	-128.7	-1.5	113.7	L143 L145 N149 A175 A176	L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 VanDerWaalsContact O-CG 3.32Å; L143-R147 WeakPolarHBondContact O-CG 3.34Å; L143-R147 PolarHBondContact O-N 2.86Å; L145-R147 PolarHBondContact O-N 3.3Å; R147-N149 PolarHBondContact O-N 2.93Å; R147-A175 VanDerWaalsContact NH2-CB 3.26Å; R147-A175 PolarHBondContact NH2-O 3.49Å; R147-A176 VanDerWaalsContact CZ-O 3.3Å; R147-A176 PolarHBondContact NE-O 2.87Å; R147-A176 PolarHBondContact NH2-O 3.4Å
148	R	98.8	Very high	98.8	Very high	34 Å²	34	55.7 Å²	55.7	13%	0.128	26%	0.262	C	S	.	.			trans	61.1	20.7	177.1	-49.9	-172	72.9	89.6	-2.4	114.3	N144 T150 W151 L152 S173 A175 N315	N144-R148 WeakPolarHBondContact O-CA 3.34Å; N144-R148 PolarHBondContact O-N 2.93Å; R148-T150 PolarHBondContact O-N 3.5Å; R148-W151 HydrophobicContact CB-CE3 3.94Å; R148-W151 HydrophobicContact CG-CE3 3.93Å; R148-W151 HydrophobicContact CG-CZ3 4.21Å; R148-W151 VanDerWaalsContact CZ-CE3 3.46Å; R148-W151 PolarHBondContact O-N 2.85Å; R148-W151 VanDerWaalsContact O-N 3.13Å; R148-L152 HydrophobicContact CB-CD1 4.42Å; R148-L152 HydrophobicContact CB-CG 4.31Å; R148-L152 WeakPolarHBondContact O-CB 3.39Å; R148-L152 VanDerWaalsContact O-CG 3.32Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 3.07Å; R148-S173 WeakPolarHBondContact CD-O 3.49Å; R148-S173 PolarHBondContact NE-O 2.69Å; R148-S173 VanDerWaalsContact NE-O 3.16Å; R148-A175 HydrophobicContact CG-CB 4Å; R148-N315 PolarHBondContact NH2-ND2 3.49Å
149	N	98.9	Very high	98.7	Very high	90 Å²	90	58.2 Å²	58.2	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-54.9	-48.1	-172.6	-73.5	-50.6	0	0	0	112.6	N144 R147 W151 L152 Y153	N144-N149 WeakPolarHBondContact OD1-CB 3.5Å; R147-N149 PolarHBondContact O-N 2.93Å; N149-W151 PolarHBondContact O-N 2.85Å; N149-L152 PolarHBondContact O-N 3.43Å; N149-Y153 WeakPolarHBondContact O-CB 3.47Å; N149-Y153 PolarHBondContact O-N 3.33Å
150	T	98.8	Very high	98.7	Very high	51 Å²	51	60.7 Å²	60.7	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-43.2	178.6	-52.5	0	0	0	0	112.4	N144 R148 Y153 Q154	N144-T150 VanDerWaalsContact CG-OG1 3.25Å; N144-T150 PolarHBondContact ND2-OG1 3.4Å; N144-T150 PolarHBondContact OD1-OG1 2.93Å; R148-T150 PolarHBondContact O-N 3.5Å; T150-Y153 WeakPolarHBondContact O-CB 3.2Å; T150-Y153 PolarHBondContact O-N 3.35Å; T150-Q154 WeakPolarHBondContact O-CB 3.47Å; T150-Q154 PolarHBondContact O-N 3.48Å
151	W	98.8	Very high	98.5	Very high	34 Å²	34	67.6 Å²	67.6	13%	0.129	32%	0.32	C	S	.	.	H	α-helix	trans	-70.7	-34.5	178.4	-62.8	-42.9	0	0	0	112.7	L145 R148 N149 Q154 A155 N315 L316 I317	L145-W151 HydrophobicContact CD2-CH2 3.64Å; L145-W151 HydrophobicContact CD2-CZ2 4.16Å; L145-W151 HydrophobicContact CD2-CZ3 4.44Å; R148-W151 HydrophobicContact CB-CE3 3.94Å; R148-W151 HydrophobicContact CG-CE3 3.93Å; R148-W151 HydrophobicContact CG-CZ3 4.21Å; R148-W151 VanDerWaalsContact CZ-CE3 3.46Å; R148-W151 PolarHBondContact O-N 2.85Å; R148-W151 VanDerWaalsContact O-N 3.13Å; N149-W151 PolarHBondContact O-N 2.85Å; W151-Q154 PolarHBondContact O-N 3.27Å; W151-A155 WeakPolarHBondContact O-CB 3.49Å; W151-A155 PolarHBondContact O-N 3.26Å; W151-N315 HydrophobicContact CH2-CB 4.11Å; W151-N315 HydrophobicContact CZ2-CB 4.16Å; W151-N315 WeakPolarHBondContact CZ2-O 3.43Å; W151-L316 PolarHBondContact NE1-O 3.48Å; W151-I317 HydrophobicContact CZ2-CD1 4.1Å; W151-I317 HydrophobicContact CZ2-CG1 3.8Å
152	L	98.8	Very high	98.4	Very high	46 Å²	46	69.5 Å²	69.5	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-42.3	173.4	-70.7	171.7	0	0	0	111.3	R148 N149 Q154 A155 L156 V171 A172	R148-L152 HydrophobicContact CB-CD1 4.42Å; R148-L152 HydrophobicContact CB-CG 4.31Å; R148-L152 WeakPolarHBondContact O-CB 3.39Å; R148-L152 VanDerWaalsContact O-CG 3.32Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 3.07Å; N149-L152 PolarHBondContact O-N 3.43Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; L152-A155 PolarHBondContact O-N 3.45Å; L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 2.9Å; L152-L156 VanDerWaalsContact O-N 3.13Å; L152-V171 HydrophobicContact CD2-CB 4.38Å; L152-V171 HydrophobicContact CD2-CG1 3.81Å; L152-V171 HydrophobicContact CD2-CG2 4.02Å; L152-A172 HydrophobicContact CD1-CB 4.37Å; L152-A172 HydrophobicContact CD2-CB 4.13Å
153	Y	98.8	Very high	98.2	Very high	131 Å²	131	77.7 Å²	77.7	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-46.6	171.4	164.6	-98.6	0	0	0	111.4	N149 T150 L156 R157	N149-Y153 WeakPolarHBondContact O-CB 3.47Å; N149-Y153 PolarHBondContact O-N 3.33Å; T150-Y153 WeakPolarHBondContact O-CB 3.2Å; T150-Y153 PolarHBondContact O-N 3.35Å; Y153-L156 PolarHBondContact O-N 3.38Å; Y153-R157 HydrophobicContact CD1-CG 4.48Å; Y153-R157 HydrophobicContact CD2-CG 4.4Å; Y153-R157 HydrophobicContact CE1-CG 4Å; Y153-R157 HydrophobicContact CE2-CG 3.91Å; Y153-R157 WeakPolarHBondContact O-CG 3.36Å; Y153-R157 PolarHBondContact O-N 2.74Å; Y153-R157 PolarHBondContact OH-NE 3.15Å; Y153-R157 PolarHBondContact OH-NH2 3.03Å; Y153-R157 VanDerWaalsContact OH-NH2 3.09Å
154	Q	98.6	Very high	98.2	Very high	89 Å²	89	78 Å²	78	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-47.3	177.2	179.6	179.1	-0.9	0	0	111.7	T150 W151 L152 L156 R157 E158	T150-Q154 WeakPolarHBondContact O-CB 3.47Å; T150-Q154 PolarHBondContact O-N 3.48Å; W151-Q154 PolarHBondContact O-N 3.27Å; L152-Q154 VanDerWaalsContact C-N 3.33Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 PolarHBondContact O-N 3.17Å; Q154-R157 WeakPolarHBondContact O-CA 3.42Å; Q154-R157 WeakPolarHBondContact O-CB 3.47Å; Q154-R157 PolarHBondContact O-N 2.96Å; Q154-E158 HydrophobicContact CG-CG 4.39Å; Q154-E158 VanDerWaalsContact CG-OE1 3.22Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.39Å; Q154-E158 PolarHBondContact NE2-OE1 3.35Å; Q154-E158 WeakPolarHBondContact O-CG 3.43Å; Q154-E158 PolarHBondContact O-N 3.44Å
155	A	98.5	Very high	98.1	Very high	15 Å²	15	80.9 Å²	80.9	12%	0.124	39%	0.394	C	S	.	.	H	α-helix	trans	-59	-39.1	179.6	0	0	0	0	0	112.4	W151 L152 E158 G159 T160 V171	W151-A155 WeakPolarHBondContact O-CB 3.49Å; W151-A155 PolarHBondContact O-N 3.26Å; L152-A155 PolarHBondContact O-N 3.45Å; A155-E158 PolarHBondContact O-N 3.22Å; A155-G159 PolarHBondContact O-N 2.79Å; A155-T160 WeakPolarHBondContact O-CB 3.49Å; A155-T160 PolarHBondContact O-N 3.4Å; A155-T160 PolarHBondContact O-OG1 3.22Å; A155-V171 HydrophobicContact CB-CG2 4.08Å
156	L	98.5	Very high	98.1	Very high	115 Å²	115	86.3 Å²	86.3	60%	0.602	42%	0.42	S	S	*	.	H	α-helix	trans	-67.6	-40.6	174.2	-70.9	175.8	0	0	0	112.1	L152 Y153 Q154 E158 G159	L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 2.9Å; L152-L156 VanDerWaalsContact O-N 3.13Å; Y153-L156 PolarHBondContact O-N 3.38Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 PolarHBondContact O-N 3.17Å; L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 PolarHBondContact O-N 3.12Å; L156-G159 PolarHBondContact O-N 3.46Å
157	R	98.4	Very high	98	Very high	187 Å²	187	90 Å²	90	71%	0.706	44%	0.437	S	S	*	.	H	α-helix	trans	-61.4	-35.5	174.2	-76.7	-70.7	-167.5	-177.5	3.2	112.3	Y153 Q154 G159	Y153-R157 HydrophobicContact CD1-CG 4.48Å; Y153-R157 HydrophobicContact CD2-CG 4.4Å; Y153-R157 HydrophobicContact CE1-CG 4Å; Y153-R157 HydrophobicContact CE2-CG 3.91Å; Y153-R157 WeakPolarHBondContact O-CG 3.36Å; Y153-R157 PolarHBondContact O-N 2.74Å; Y153-R157 PolarHBondContact OH-NE 3.15Å; Y153-R157 PolarHBondContact OH-NH2 3.03Å; Y153-R157 VanDerWaalsContact OH-NH2 3.09Å; Q154-R157 WeakPolarHBondContact O-CA 3.42Å; Q154-R157 WeakPolarHBondContact O-CB 3.47Å; Q154-R157 PolarHBondContact O-N 2.96Å; R157-G159 PolarHBondContact O-N 3.31Å
158	E	98.2	Very high	98	Very high	134 Å²	134	89.7 Å²	89.7	63%	0.626	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.5	175.7	-69.6	169.6	-178.8	0	0	113.1	Q154 A155 L156	Q154-E158 HydrophobicContact CG-CG 4.39Å; Q154-E158 VanDerWaalsContact CG-OE1 3.22Å; Q154-E158 WeakPolarHBondContact CG-OE1 3.39Å; Q154-E158 PolarHBondContact NE2-OE1 3.35Å; Q154-E158 WeakPolarHBondContact O-CG 3.43Å; Q154-E158 PolarHBondContact O-N 3.44Å; A155-E158 PolarHBondContact O-N 3.22Å; L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 PolarHBondContact O-N 3.12Å
159	G	97.9	Very high	98	Very high	52 Å²	52	95.9 Å²	95.9	54%	0.536	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	10.7	173.6	0	0	0	0	0	115	A155 L156 R157 R161	A155-G159 PolarHBondContact O-N 2.79Å; L156-G159 PolarHBondContact O-N 3.46Å; R157-G159 PolarHBondContact O-N 3.31Å; G159-R161 PolarHBondContact O-N 2.81Å
160	T	97.6	Very high	97.9	Very high	62 Å²	62	98.9 Å²	98.9	38%	0.38	48%	0.476	S	S	.	.			trans	-59.1	127.8	173.9	-54.6	0	0	0	0	110	A155 V162 V171	A155-T160 WeakPolarHBondContact O-CB 3.49Å; A155-T160 PolarHBondContact O-N 3.4Å; A155-T160 PolarHBondContact O-OG1 3.22Å; T160-V162 HydrophobicContact CG2-CG2 4.15Å; T160-V171 HydrophobicContact CG2-CG2 4.39Å
161	R	96.3	Very high	97.9	Very high	212 Å²	212	98.6 Å²	98.6	80%	0.8	47%	0.474	S	S	*	.			trans	-102.8	126.8	177.6	-64.4	-175.1	-179.8	-172.3	0.1	110.2	G159	G159-R161 PolarHBondContact O-N 2.81Å
162	V	95.6	Very high	97.8	Very high	51 Å²	51	98.1 Å²	98.1	31%	0.309	48%	0.478	S	S	.	.			trans	-124.9	111	-176.3	-173.9	0	0	0	0	108.1	T160 Q167 I168 V171	T160-V162 HydrophobicContact CG2-CG2 4.15Å; V162-Q167 HydrophobicContact CG1-CB 3.98Å; V162-I168 HydrophobicContact CG1-CB 4.23Å; V162-I168 HydrophobicContact CG1-CG1 3.42Å; V162-I168 VanDerWaalsContact CG1-CG1 3.42Å; V162-V171 HydrophobicContact CG1-CG1 4.29Å; V162-V171 HydrophobicContact CG2-CB 4.42Å; V162-V171 HydrophobicContact CG2-CG1 3.97Å
163	Q	96.3	Very high	97.8	Very high	173 Å²	173	99.8 Å²	99.8	81%	0.808	49%	0.493	S	S	*	.			trans	-120.8	-47.7	-178.2	-67.8	-171.5	-15	0	0	112.4
164	S	97.6	Very high	97.8	Very high	45 Å²	45	94.9 Å²	94.9	32%	0.315	48%	0.482	S	S	.	.	S	Bend	trans	-86.9	160.6	-177.8	84.6	0	0	0	0	112.3	E166 Q167 I168	S164-E166 WeakPolarHBondContact CB-OE2 3.07Å; S164-E166 PolarHBondContact O-N 3.24Å; S164-E166 PolarHBondContact OG-N 3.49Å; S164-E166 PolarHBondContact OG-OE2 3.02Å; S164-E166 VanDerWaalsContact OG-OE2 3.13Å; S164-Q167 PolarHBondContact O-N 3.12Å; S164-Q167 WeakPolarHBondContact OG-CG 3.43Å; S164-Q167 PolarHBondContact OG-N 2.87Å; S164-I168 WeakPolarHBondContact O-CG1 3.33Å; S164-I168 PolarHBondContact O-N 2.92Å; S164-I168 VanDerWaalsContact O-N 3.08Å
165	V	97.7	Very high	97.8	Very high	81 Å²	81	92.3 Å²	92.3	49%	0.491	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-33.5	176.2	176.8	0	0	0	0	111.1	I168 R169	V165-I168 PolarHBondContact O-N 3.32Å; V165-R169 WeakPolarHBondContact O-CG 3.3Å; V165-R169 PolarHBondContact O-N 2.78Å
166	E	97.9	Very high	97.8	Very high	115 Å²	115	92.8 Å²	92.8	54%	0.537	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-45.4	176.4	-64.2	64.8	-138.6	0	0	110.8	S164 I168 R169 E170	S164-E166 WeakPolarHBondContact CB-OE2 3.07Å; S164-E166 PolarHBondContact O-N 3.24Å; S164-E166 PolarHBondContact OG-N 3.49Å; S164-E166 PolarHBondContact OG-OE2 3.02Å; S164-E166 VanDerWaalsContact OG-OE2 3.13Å; E166-I168 VanDerWaalsContact C-N 3.3Å; E166-I168 PolarHBondContact O-N 2.83Å; E166-R169 PolarHBondContact O-N 3.13Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-E170 PolarHBondContact O-N 3.3Å
167	Q	97.9	Very high	97.8	Very high	76 Å²	76	97.1 Å²	97.1	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-36.8	176.1	-68.7	172.6	-35.3	0	0	111.8	V162 S164 E170 V171	V162-Q167 HydrophobicContact CG1-CB 3.98Å; S164-Q167 PolarHBondContact O-N 3.12Å; S164-Q167 WeakPolarHBondContact OG-CG 3.43Å; S164-Q167 PolarHBondContact OG-N 2.87Å; Q167-E170 PolarHBondContact O-N 2.85Å; Q167-V171 WeakPolarHBondContact O-CG1 3.35Å; Q167-V171 PolarHBondContact O-N 2.66Å
168	I	98.2	Very high	97.8	Very high	90 Å²	90	89.1 Å²	89.1	46%	0.462	46%	0.459	S	S	.	.	H	α-helix	trans	-61.5	-46.1	174	-66	170.2	0	0	0	110.4	V162 S164 V165 E166 E170 A172	V162-I168 HydrophobicContact CG1-CB 4.23Å; V162-I168 HydrophobicContact CG1-CG1 3.42Å; V162-I168 VanDerWaalsContact CG1-CG1 3.42Å; S164-I168 WeakPolarHBondContact O-CG1 3.33Å; S164-I168 PolarHBondContact O-N 2.92Å; S164-I168 VanDerWaalsContact O-N 3.08Å; V165-I168 PolarHBondContact O-N 3.32Å; E166-I168 VanDerWaalsContact C-N 3.3Å; E166-I168 PolarHBondContact O-N 2.83Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; I168-A172 WeakPolarHBondContact O-CB 3.32Å; I168-A172 PolarHBondContact O-N 3.06Å
169	R	97.9	Very high	97.9	Very high	165 Å²	165	91.3 Å²	91.3	62%	0.623	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-37.7	178.5	-70.3	176.6	-174.5	140.6	1.2	112.1	V165 E166 S173	V165-R169 WeakPolarHBondContact O-CG 3.3Å; V165-R169 PolarHBondContact O-N 2.78Å; E166-R169 PolarHBondContact O-N 3.13Å; E166-R169 VanDerWaalsContact O-N 3.16Å; R169-S173 WeakPolarHBondContact O-CA 3.49Å; R169-S173 WeakPolarHBondContact O-CB 3.41Å; R169-S173 PolarHBondContact O-N 2.85Å
170	E	97.8	Very high	97.9	Very high	152 Å²	152	91.7 Å²	91.7	71%	0.71	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-53.3	179.3	-174	175.2	-175.1	0	0	111.6	E166 Q167 I168 A172 S173	E166-E170 PolarHBondContact O-N 3.3Å; Q167-E170 PolarHBondContact O-N 2.85Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.42Å; E170-S173 WeakPolarHBondContact O-CB 3.4Å; E170-S173 PolarHBondContact O-N 3.3Å; E170-S173 VanDerWaalsContact O-N 3.13Å
171	V	97.9	Very high	97.9	Very high	46 Å²	46	91.2 Å²	91.2	28%	0.279	46%	0.459	S	S	.	.	H	α-helix	trans	-68.3	-31.9	-177.8	75.9	0	0	0	0	112.6	L152 A155 T160 V162 Q167 S173	L152-V171 HydrophobicContact CD2-CB 4.38Å; L152-V171 HydrophobicContact CD2-CG1 3.81Å; L152-V171 HydrophobicContact CD2-CG2 4.02Å; A155-V171 HydrophobicContact CB-CG2 4.08Å; T160-V171 HydrophobicContact CG2-CG2 4.39Å; V162-V171 HydrophobicContact CG1-CG1 4.29Å; V162-V171 HydrophobicContact CG2-CB 4.42Å; V162-V171 HydrophobicContact CG2-CG1 3.97Å; Q167-V171 WeakPolarHBondContact O-CG1 3.35Å; Q167-V171 PolarHBondContact O-N 2.66Å; V171-S173 VanDerWaalsContact C-N 3.33Å
172	A	98.4	Very high	98.1	Very high	24 Å²	24	81.8 Å²	81.8	20%	0.198	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9.5	176.4	0	0	0	0	0	113.2	L152 I168 E170 G174 A175	L152-A172 HydrophobicContact CD1-CB 4.37Å; L152-A172 HydrophobicContact CD2-CB 4.13Å; I168-A172 WeakPolarHBondContact O-CB 3.32Å; I168-A172 PolarHBondContact O-N 3.06Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.42Å; A172-G174 PolarHBondContact O-N 3.33Å; A172-A175 WeakPolarHBondContact O-CB 3.49Å; A172-A175 PolarHBondContact O-N 3.27Å; A172-A175 VanDerWaalsContact O-N 3.08Å
173	S	98.3	Very high	98.2	Very high	81 Å²	81	79.3 Å²	79.3	57%	0.566	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	138.5	-177.3	-175.4	0	0	0	0	111.5	R148 R169 E170 V171 A175	R148-S173 WeakPolarHBondContact CD-O 3.49Å; R148-S173 PolarHBondContact NE-O 2.69Å; R148-S173 VanDerWaalsContact NE-O 3.16Å; R169-S173 WeakPolarHBondContact O-CA 3.49Å; R169-S173 WeakPolarHBondContact O-CB 3.41Å; R169-S173 PolarHBondContact O-N 2.85Å; E170-S173 WeakPolarHBondContact O-CB 3.4Å; E170-S173 PolarHBondContact O-N 3.3Å; E170-S173 VanDerWaalsContact O-N 3.13Å; V171-S173 VanDerWaalsContact C-N 3.33Å; S173-A175 VanDerWaalsContact C-N 3.34Å
174	G	97.9	Very high	98.3	Very high	27 Å²	27	71.1 Å²	71.1	28%	0.278	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-4.4	-174.6	0	0	0	0	0	115.1	A172 A176	A172-G174 PolarHBondContact O-N 3.33Å; G174-A176 PolarHBondContact O-N 3.3Å
175	A	98.7	Very high	98.4	Very high	35 Å²	35	69 Å²	69	29%	0.289	36%	0.357	S	S	.	.			trans	-66.6	124.3	170.8	0	0	0	0	0	110	Y146 R147 R148 A172 S173	Y146-A175 CarbonylContact O-C 3.51Å; Y146-A175 WeakPolarHBondContact O-CA 3.28Å; R147-A175 VanDerWaalsContact NH2-CB 3.26Å; R147-A175 PolarHBondContact NH2-O 3.49Å; R148-A175 HydrophobicContact CG-CB 4Å; A172-A175 WeakPolarHBondContact O-CB 3.49Å; A172-A175 PolarHBondContact O-N 3.27Å; A172-A175 VanDerWaalsContact O-N 3.08Å; S173-A175 VanDerWaalsContact C-N 3.34Å
176	A	98.6	Very high	98.5	Very high	25 Å²	25	65.2 Å²	65.2	21%	0.207	33%	0.334	C	S	.	.			trans	-110.6	151	-172.6	0	0	0	0	0	114	Y146 R147 G174	Y146-A176 HydrophobicContact CD1-CB 3.91Å; Y146-A176 HydrophobicContact CE1-CB 4.2Å; Y146-A176 PolarHBondContact O-N 2.86Å; R147-A176 VanDerWaalsContact CZ-O 3.3Å; R147-A176 PolarHBondContact NE-O 2.87Å; R147-A176 PolarHBondContact NH2-O 3.4Å; G174-A176 PolarHBondContact O-N 3.3Å
177	R	98.8	Very high	98.5	Very high	206 Å²	206	59.9 Å²	59.9	78%	0.777	31%	0.31	S	S	*	.			trans	-70.2	133.6	170.4	171.7	176	-70.9	-151.1	-1.4	108.9	E181	R177-E181 WeakPolarHBondContact O-CG 3.46Å
178	I	98.9	Very high	98.5	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.097	29%	0.293	C	S	.	.			trans	-82	-41.7	-177	-67.5	163.2	0	0	0	112.9	L143 Y146 G180 E181 F202 F204	L143-I178 HydrophobicContact CD2-CD1 3.42Å; L143-I178 VanDerWaalsContact CD2-CD1 3.42Å; Y146-I178 HydrophobicContact CD1-CG1 3.79Å; Y146-I178 HydrophobicContact CG-CG1 3.84Å; I178-G180 PolarHBondContact O-N 3.18Å; I178-G180 VanDerWaalsContact O-N 3.14Å; I178-E181 VanDerWaalsContact O-CB 3.23Å; I178-E181 WeakPolarHBondContact O-CB 3.42Å; I178-E181 VanDerWaalsContact O-CG 3.26Å; I178-E181 WeakPolarHBondContact O-CG 3.44Å; I178-E181 PolarHBondContact O-N 2.78Å; I178-F202 HydrophobicContact CG2-CB 3.91Å; I178-F204 HydrophobicContact CB-CZ 4.44Å; I178-F204 HydrophobicContact CG1-CZ 4.35Å; I178-F204 HydrophobicContact CG2-CD1 4.12Å; I178-F204 HydrophobicContact CG2-CD2 3.59Å; I178-F204 HydrophobicContact CG2-CE1 3.86Å; I178-F204 HydrophobicContact CG2-CE2 3.31Å; I178-F204 HydrophobicContact CG2-CG 4Å; I178-F204 HydrophobicContact CG2-CZ 3.45Å; I178-F204 VanDerWaalsContact CG2-CZ 3.45Å
179	R	98.8	Very high	98.5	Very high	180 Å²	180	53.3 Å²	53.3	68%	0.679	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122.4	-175.5	179.7	179.7	-63.4	-80.2	-3.7	110.7	G203	R179-G203 WeakPolarHBondContact CA-O 3.42Å
180	G	98.4	Very high	98.5	Very high	60 Å²	60	52.6 Å²	52.6	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-11.3	-179.4	0	0	0	0	0	114.5	I178 G203	I178-G180 PolarHBondContact O-N 3.18Å; I178-G180 VanDerWaalsContact O-N 3.14Å; G180-G203 PolarHBondContact N-O 3.21Å
181	E	98.8	Very high	98.6	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.248	26%	0.257	C	S	.	.			trans	-71.4	151.7	173.9	-63	-82.9	118.6	0	0	110.9	Y146 R177 I178 F204 N205 D237	Y146-E181 HydrophobicContact CE1-CB 4.33Å; Y146-E181 HydrophobicContact CE1-CG 3.71Å; Y146-E181 VanDerWaalsContact CE1-OE2 3.23Å; Y146-E181 WeakPolarHBondContact CE1-OE2 3.34Å; Y146-E181 PolarHBondContact OH-OE2 3.43Å; R177-E181 WeakPolarHBondContact O-CG 3.46Å; I178-E181 VanDerWaalsContact O-CB 3.23Å; I178-E181 WeakPolarHBondContact O-CB 3.42Å; I178-E181 VanDerWaalsContact O-CG 3.26Å; I178-E181 WeakPolarHBondContact O-CG 3.44Å; I178-E181 PolarHBondContact O-N 2.78Å; E181-F204 HydrophobicContact CB-CD1 3.85Å; E181-F204 HydrophobicContact CB-CE1 3.75Å; E181-F204 WeakPolarHBondContact O-CA 3.36Å; E181-F204 WeakPolarHBondContact O-CD1 3.13Å; E181-N205 PolarHBondContact O-N 2.97Å; E181-D237 HydrophobicContact CB-CB 4.42Å; E181-D237 VanDerWaalsContact OE2-CB 3.23Å; E181-D237 WeakPolarHBondContact OE2-CB 3.39Å
182	T	98.9	Very high	98.6	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120	177.1	-58.4	0	0	0	0	111.3	N205 I207 Q235 D237 C238	T182-N205 CarbonylContact C-O 3.51Å; T182-N205 VanDerWaalsContact CA-O 3.27Å; T182-N205 WeakPolarHBondContact CA-O 3.4Å; T182-N205 PolarHBondContact OG1-ND2 3.43Å; T182-I207 HydrophobicContact CG2-CD1 3.83Å; T182-I207 HydrophobicContact CG2-CG1 3.92Å; T182-I207 HydrophobicContact CG2-CG2 3.92Å; T182-Q235 VanDerWaalsContact CB-O 3.28Å; T182-Q235 WeakPolarHBondContact CB-O 3.27Å; T182-Q235 VanDerWaalsContact CG2-O 3.31Å; T182-Q235 WeakPolarHBondContact CG2-O 3.37Å; T182-D237 PolarHBondContact N-OD2 3Å; T182-D237 PolarHBondContact O-N 3.41Å; T182-C238 PolarHBondContact O-N 3.14Å; T182-C238 VanDerWaalsContact O-N 3.15Å
183	L	98.9	Very high	98.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.1	173.4	179.3	64.9	0	0	0	109.4	L185 V195 A199 F204 N205 I207 C238	L183-L185 HydrophobicContact CD1-CD2 4.3Å; L183-L185 HydrophobicContact CD2-CD2 4Å; L183-L185 HydrophobicContact CG-CD2 3.83Å; L183-V195 HydrophobicContact CD2-CG1 4.23Å; L183-A199 HydrophobicContact CD2-CB 3.58Å; L183-F204 HydrophobicContact CB-CB 4.24Å; L183-F204 HydrophobicContact CB-CD1 3.78Å; L183-F204 HydrophobicContact CB-CE1 4.28Å; L183-F204 HydrophobicContact CB-CG 4.03Å; L183-N205 PolarHBondContact N-O 3.34Å; L183-I207 PolarHBondContact O-N 3.26Å; L183-C238 WeakPolarHBondContact CA-O 3.31Å; L183-C238 HydrophobicContact CD1-CB 3.84Å
184	G	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.7	176.1	0	0	0	0	0	112.3	I207 S236 C238 V239 S240	G184-I207 WeakPolarHBondContact CA-O 3.41Å; G184-S236 WeakPolarHBondContact CA-OG 3.22Å; G184-S236 PolarHBondContact N-OG 2.96Å; G184-C238 PolarHBondContact N-O 3.31Å; G184-V239 CarbonylContact O-C 3.28Å; G184-V239 WeakPolarHBondContact O-CA 3.47Å; G184-S240 PolarHBondContact O-N 2.93Å
185	L	98.9	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.6	178.1	-53.1	-178.7	0	0	0	110.7	L183 F188 G192 V195 A196 V206 I207 F208 Y209 L232	L183-L185 HydrophobicContact CD1-CD2 4.3Å; L183-L185 HydrophobicContact CD2-CD2 4Å; L183-L185 HydrophobicContact CG-CD2 3.83Å; L185-F188 HydrophobicContact CD1-CD2 4.17Å; L185-F188 HydrophobicContact CD1-CE2 4.04Å; L185-G192 VanDerWaalsContact CD1-O 3.3Å; L185-G192 WeakPolarHBondContact CD1-O 3.35Å; L185-V195 HydrophobicContact CD1-CG1 4.24Å; L185-V195 HydrophobicContact CD2-CG1 3.83Å; L185-A196 HydrophobicContact CD1-CB 3.86Å; L185-V206 HydrophobicContact CD1-CG1 3.83Å; L185-V206 HydrophobicContact CG-CG1 4.22Å; L185-I207 PolarHBondContact N-O 3.35Å; L185-F208 HydrophobicContact CB-CB 4.1Å; L185-F208 CarbonylContact O-C 3.59Å; L185-F208 WeakPolarHBondContact O-CA 3.42Å; L185-F208 WeakPolarHBondContact O-CB 3.24Å; L185-Y209 PolarHBondContact O-N 3.07Å; L185-L232 VanDerWaalsContact O-CD1 3.27Å; L185-L232 WeakPolarHBondContact O-CD1 3.33Å
186	I	98.9	Very high	98.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.6	174.5	-61.5	168	0	0	0	108.7	Y209 L229 L232 L233 V239 S240 L241 H242 C243 L252 I253	I186-Y209 HydrophobicContact CG2-CD1 4.31Å; I186-L229 HydrophobicContact CD1-CD1 3.49Å; I186-L229 VanDerWaalsContact CD1-CD1 3.49Å; I186-L229 HydrophobicContact CG1-CD1 4.03Å; I186-L232 HydrophobicContact CD1-CD2 4.01Å; I186-L232 HydrophobicContact CG1-CD1 4.06Å; I186-L232 HydrophobicContact CG1-CD2 3.68Å; I186-L232 HydrophobicContact CG1-CG 4.48Å; I186-L233 HydrophobicContact CD1-CD2 4.14Å; I186-V239 HydrophobicContact CD1-CG1 3.6Å; I186-V239 HydrophobicContact CG1-CG1 4.26Å; I186-S240 PolarHBondContact N-O 3.13Å; I186-L241 HydrophobicContact CB-CD2 3.88Å; I186-L241 HydrophobicContact CD1-CD2 3.6Å; I186-L241 HydrophobicContact CG1-CD2 4.24Å; I186-L241 HydrophobicContact CG2-CD2 4.37Å; I186-H242 CarbonylContact O-C 3.54Å; I186-H242 PolarHBondContact O-N 2.85Å; I186-C243 PolarHBondContact O-N 3.44Å; I186-L252 HydrophobicContact CG2-CD2 3.62Å; I186-I253 HydrophobicContact CD1-CD1 4.05Å
187	G	98.6	Very high	98.7	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	21%	0.212	C	C	.	.			trans	91	126.7	-164.4	0	0	0	0	0	111.1	Y209	G187-Y209 PolarHBondContact N-O 2.78Å
188	F	98.5	Very high	98.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.			trans	-129.9	38.2	-174.5	-158.6	-117.3	0	0	0	112.3	L185 Q193 A196 F208 D210 L213 L217 L221 V223	L185-F188 HydrophobicContact CD1-CD2 4.17Å; L185-F188 HydrophobicContact CD1-CE2 4.04Å; F188-Q193 HydrophobicContact CD1-CG 4.05Å; F188-Q193 HydrophobicContact CD2-CG 4.45Å; F188-Q193 HydrophobicContact CE1-CG 3.86Å; F188-Q193 HydrophobicContact CE2-CG 4.25Å; F188-Q193 HydrophobicContact CG-CG 4.33Å; F188-Q193 HydrophobicContact CZ-CG 3.94Å; F188-Q193 WeakPolarHBondContact O-CG 3.49Å; F188-Q193 PolarHBondContact O-NE2 3.47Å; F188-A196 HydrophobicContact CE2-CB 3.74Å; F188-A196 HydrophobicContact CZ-CB 4.14Å; F188-F208 HydrophobicContact CB-CB 4.15Å; F188-F208 HydrophobicContact CB-CD2 3.31Å; F188-F208 HydrophobicContact CB-CE2 3.79Å; F188-F208 HydrophobicContact CB-CG 3.83Å; F188-F208 AromaticContact CD1-CD1 3.92Å; F188-F208 HydrophobicContact CD1-CD1 3.92Å; F188-F208 AromaticContact CD1-CD2 3.75Å; F188-F208 HydrophobicContact CD1-CD2 3.75Å; F188-F208 AromaticContact CD1-CE1 3.84Å; F188-F208 HydrophobicContact CD1-CE1 3.84Å; F188-F208 AromaticContact CD1-CE2 3.66Å; F188-F208 HydrophobicContact CD1-CE2 3.66Å; F188-F208 AromaticContact CD1-CG 3.86Å; F188-F208 HydrophobicContact CD1-CG 3.86Å; F188-F208 AromaticContact CD1-CZ 3.69Å; F188-F208 HydrophobicContact CD1-CZ 3.69Å; F188-F208 HydrophobicContact CD2-CB 3.72Å; F188-F208 HydrophobicContact CD2-CD1 4.19Å; F188-F208 HydrophobicContact CD2-CD2 4.17Å; F188-F208 AromaticContact CD2-CG 3.77Å; F188-F208 HydrophobicContact CD2-CG 3.77Å; F188-F208 HydrophobicContact CE1-CD1 4Å; F188-F208 AromaticContact CE1-CE1 3.87Å; F188-F208 HydrophobicContact CE1-CE1 3.87Å; F188-F208 HydrophobicContact CE1-CE2 4.5Å; F188-F208 HydrophobicContact CE1-CG 4.36Å; F188-F208 HydrophobicContact CE1-CZ 4.11Å; F188-F208 HydrophobicContact CE2-CB 4.31Å; F188-F208 HydrophobicContact CE2-CD1 4.28Å; F188-F208 HydrophobicContact CE2-CG 4.3Å; F188-F208 HydrophobicContact CG-CB 3.96Å; F188-F208 HydrophobicContact CG-CD1 4.03Å; F188-F208 AromaticContact CG-CD2 3.49Å; F188-F208 HydrophobicContact CG-CD2 3.49Å; F188-F208 VanDerWaalsContact CG-CD2 3.49Å; F188-F208 HydrophobicContact CG-CE1 4.39Å; F188-F208 AromaticContact CG-CE2 3.89Å; F188-F208 HydrophobicContact CG-CE2 3.89Å; F188-F208 AromaticContact CG-CG 3.55Å; F188-F208 HydrophobicContact CG-CG 3.55Å; F188-F208 HydrophobicContact CG-CZ 4.3Å; F188-F208 HydrophobicContact CZ-CD1 4.21Å; F188-F208 HydrophobicContact CZ-CE1 4.46Å; F188-D210 HydrophobicContact CB-CB 4.06Å; F188-D210 PolarHBondContact N-OD2 3.49Å; F188-L213 HydrophobicContact CB-CD1 3.72Å; F188-L213 HydrophobicContact CD1-CD1 4.2Å; F188-L213 HydrophobicContact CG-CD1 4.46Å; F188-L213 WeakPolarHBondContact O-CD1 3.38Å; F188-L217 HydrophobicContact CD1-CD2 3.64Å; F188-L217 HydrophobicContact CD1-CG 4.33Å; F188-L217 HydrophobicContact CE1-CD2 3.84Å; F188-L217 HydrophobicContact CE1-CG 4.1Å; F188-L221 HydrophobicContact CE1-CD1 3.74Å; F188-L221 HydrophobicContact CZ-CD1 3.79Å; F188-V223 HydrophobicContact CE1-CG2 3.95Å; F188-V223 HydrophobicContact CE2-CG2 4.5Å; F188-V223 HydrophobicContact CZ-CG2 3.65Å
189	G	97.6	Very high	98.6	Very high	29 Å²	29	35.9 Å²	35.9	30%	0.299	18%	0.182	S	C	.	.	S	Bend	trans	-75.5	-153.9	168.8	0	0	0	0	0	112.9	T191 G192 Q193	G189-T191 PolarHBondContact O-N 3.48Å; G189-G192 PolarHBondContact O-N 3.2Å; G189-Q193 WeakPolarHBondContact O-CB 3.46Å; G189-Q193 VanDerWaalsContact O-CG 3.22Å; G189-Q193 WeakPolarHBondContact O-CG 3.28Å; G189-Q193 PolarHBondContact O-N 3.18Å; G189-Q193 PolarHBondContact O-NE2 3.44Å
190	R	98.4	Very high	98.6	Very high	149 Å²	149	30.8 Å²	30.8	56%	0.562	17%	0.165	S	C	*	.	H	α-helix	trans	-54.2	-51.2	-173.6	-63.9	178.2	-178.6	81	2	113.4	P127 V131 A194	P127-R190 VanDerWaalsContact O-CD 3.29Å; P127-R190 WeakPolarHBondContact O-CD 3.19Å; V131-R190 HydrophobicContact CG1-CB 3.89Å; V131-R190 HydrophobicContact CG2-CB 3.84Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.09Å; R190-A194 VanDerWaalsContact O-N 3.14Å
191	T	98.6	Very high	98.6	Very high	30 Å²	30	32.1 Å²	32.1	18%	0.184	17%	0.17	C	C	.	.	H	α-helix	trans	-70.4	-46.2	-178.2	47.2	0	0	0	0	111.9	V131 T134 G189 Q193 A194 V195	V131-T191 HydrophobicContact CG1-CG2 4.46Å; T134-T191 HydrophobicContact CG2-CG2 4.03Å; G189-T191 PolarHBondContact O-N 3.48Å; T191-Q193 VanDerWaalsContact C-N 3.32Å; T191-Q193 PolarHBondContact O-N 3.16Å; T191-A194 PolarHBondContact O-N 3.15Å; T191-A194 VanDerWaalsContact O-N 3.14Å; T191-V195 WeakPolarHBondContact O-CG2 3.35Å; T191-V195 PolarHBondContact O-N 2.69Å
192	G	98.6	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-41.3	177.2	0	0	0	0	0	112.9	L185 G189 V195 A196	L185-G192 VanDerWaalsContact CD1-O 3.3Å; L185-G192 WeakPolarHBondContact CD1-O 3.35Å; G189-G192 PolarHBondContact O-N 3.2Å; G192-V195 PolarHBondContact O-N 2.9Å; G192-A196 WeakPolarHBondContact O-CB 3.42Å; G192-A196 PolarHBondContact O-N 3.28Å
193	Q	98.6	Very high	98.6	Very high	57 Å²	57	33.9 Å²	33.9	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-44.9	174.3	-69	170.2	41.4	0	0	112	F188 G189 T191 V195 A196 M197 L217 L221	F188-Q193 HydrophobicContact CD1-CG 4.05Å; F188-Q193 HydrophobicContact CD2-CG 4.45Å; F188-Q193 HydrophobicContact CE1-CG 3.86Å; F188-Q193 HydrophobicContact CE2-CG 4.25Å; F188-Q193 HydrophobicContact CG-CG 4.33Å; F188-Q193 HydrophobicContact CZ-CG 3.94Å; F188-Q193 WeakPolarHBondContact O-CG 3.49Å; F188-Q193 PolarHBondContact O-NE2 3.47Å; G189-Q193 WeakPolarHBondContact O-CB 3.46Å; G189-Q193 VanDerWaalsContact O-CG 3.22Å; G189-Q193 WeakPolarHBondContact O-CG 3.28Å; G189-Q193 PolarHBondContact O-N 3.18Å; G189-Q193 PolarHBondContact O-NE2 3.44Å; T191-Q193 VanDerWaalsContact C-N 3.32Å; T191-Q193 PolarHBondContact O-N 3.16Å; Q193-V195 VanDerWaalsContact C-N 3.32Å; Q193-V195 PolarHBondContact O-N 3.07Å; Q193-A196 PolarHBondContact O-N 3.31Å; Q193-M197 WeakPolarHBondContact O-CG 3.35Å; Q193-M197 PolarHBondContact O-N 3.48Å; Q193-M197 VanDerWaalsContact O-N 3.09Å; Q193-L217 HydrophobicContact CG-CD2 4.31Å; Q193-L217 VanDerWaalsContact NE2-CD2 3.35Å; Q193-L221 HydrophobicContact CB-CD1 4.14Å; Q193-L221 HydrophobicContact CG-CD1 3.72Å
194	A	98.8	Very high	98.6	Very high	13 Å²	13	34.5 Å²	34.5	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-38.9	178.1	0	0	0	0	0	112.4	V131 A135 R190 T191 R198	V131-A194 HydrophobicContact CG1-CB 4.17Å; A135-A194 HydrophobicContact CB-CB 3.62Å; R190-A194 WeakPolarHBondContact O-CB 3.26Å; R190-A194 PolarHBondContact O-N 3.09Å; R190-A194 VanDerWaalsContact O-N 3.14Å; T191-A194 PolarHBondContact O-N 3.15Å; T191-A194 VanDerWaalsContact O-N 3.14Å; A194-R198 WeakPolarHBondContact O-CD 3.3Å; A194-R198 WeakPolarHBondContact O-CG 3.45Å; A194-R198 PolarHBondContact O-N 3.29Å; A194-R198 PolarHBondContact O-NH1 3.32Å
195	V	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-47.5	173.5	166	0	0	0	0	111.1	A135 T138 L139 L183 L185 T191 G192 Q193 M197 R198 A199	A135-V195 HydrophobicContact CB-CG2 3.77Å; T138-V195 HydrophobicContact CG2-CG1 4.4Å; T138-V195 HydrophobicContact CG2-CG2 3.96Å; L139-V195 HydrophobicContact CD2-CB 4.04Å; L139-V195 HydrophobicContact CD2-CG1 3.7Å; L139-V195 HydrophobicContact CD2-CG2 4Å; L183-V195 HydrophobicContact CD2-CG1 4.23Å; L185-V195 HydrophobicContact CD1-CG1 4.24Å; L185-V195 HydrophobicContact CD2-CG1 3.83Å; T191-V195 WeakPolarHBondContact O-CG2 3.35Å; T191-V195 PolarHBondContact O-N 2.69Å; G192-V195 PolarHBondContact O-N 2.9Å; Q193-V195 VanDerWaalsContact C-N 3.32Å; Q193-V195 PolarHBondContact O-N 3.07Å; V195-M197 VanDerWaalsContact C-N 3.31Å; V195-M197 PolarHBondContact O-N 2.99Å; V195-R198 PolarHBondContact O-N 2.92Å; V195-A199 WeakPolarHBondContact O-CB 3.37Å; V195-A199 PolarHBondContact O-N 2.89Å
196	A	98.7	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-43.5	179.7	0	0	0	0	0	112.7	L185 F188 G192 Q193 R198 A199 K200 V206 V223	L185-A196 HydrophobicContact CD1-CB 3.86Å; F188-A196 HydrophobicContact CE2-CB 3.74Å; F188-A196 HydrophobicContact CZ-CB 4.14Å; G192-A196 WeakPolarHBondContact O-CB 3.42Å; G192-A196 PolarHBondContact O-N 3.28Å; Q193-A196 PolarHBondContact O-N 3.31Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 2.83Å; A196-A199 PolarHBondContact O-N 2.85Å; A196-K200 WeakPolarHBondContact O-CG 3.11Å; A196-K200 PolarHBondContact O-N 2.76Å; A196-V206 HydrophobicContact CB-CG1 3.79Å; A196-V223 HydrophobicContact CB-CG1 4.42Å
197	M	98.2	Very high	98.6	Very high	101 Å²	101	38 Å²	38	50%	0.498	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-39.6	179.1	-67.7	-52.3	-63.6	0	0	112.4	Q193 V195 L221	Q193-M197 WeakPolarHBondContact O-CG 3.35Å; Q193-M197 PolarHBondContact O-N 3.48Å; Q193-M197 VanDerWaalsContact O-N 3.09Å; V195-M197 VanDerWaalsContact C-N 3.31Å; V195-M197 PolarHBondContact O-N 2.99Å; M197-L221 HydrophobicContact SD-CD2 4.01Å
198	R	98.8	Very high	98.6	Very high	63 Å²	63	38 Å²	38	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-71.9	-45.2	177.4	-69.9	162.2	168.3	69.6	-0.9	111.8	E132 D136 L139 A194 V195 A196 K200 A201 F202	E132-R198 IonicContact OE1-CZ 3.55Å; E132-R198 IonicContact OE1-NH1 2.77Å; E132-R198 PolarHBondContact OE1-NH1 2.99Å; E132-R198 IonicContact OE1-NH2 3.49Å; E132-R198 PolarHBondContact OE1-NH2 3.3Å; D136-R198 IonicContact OD1-CZ 2.87Å; D136-R198 IonicContact OD1-NE 3.43Å; D136-R198 PolarHBondContact OD1-NE 3.3Å; D136-R198 IonicContact OD1-NH2 3.46Å; D136-R198 PolarHBondContact OD1-NH2 3.46Å; L139-R198 HydrophobicContact CD2-CB 3.99Å; L139-R198 HydrophobicContact CG-CB 3.96Å; A194-R198 WeakPolarHBondContact O-CD 3.3Å; A194-R198 WeakPolarHBondContact O-CG 3.45Å; A194-R198 PolarHBondContact O-N 3.29Å; A194-R198 PolarHBondContact O-NH1 3.32Å; V195-R198 PolarHBondContact O-N 2.92Å; A196-R198 VanDerWaalsContact C-N 3.33Å; A196-R198 PolarHBondContact O-N 2.83Å; R198-K200 VanDerWaalsContact C-N 3.27Å; R198-K200 PolarHBondContact O-N 3.32Å; R198-A201 PolarHBondContact O-N 3.02Å; R198-F202 WeakPolarHBondContact O-CD2 3.48Å
199	A	98.8	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-34.4	-176.5	0	0	0	0	0	113.1	L139 L183 V195 A196 A201 F202 F204 V206	L139-A199 HydrophobicContact CD1-CB 4.31Å; L183-A199 HydrophobicContact CD2-CB 3.58Å; V195-A199 WeakPolarHBondContact O-CB 3.37Å; V195-A199 PolarHBondContact O-N 2.89Å; A196-A199 PolarHBondContact O-N 2.85Å; A199-A201 VanDerWaalsContact C-N 3.27Å; A199-A201 PolarHBondContact O-N 3.47Å; A199-F202 PolarHBondContact O-N 2.89Å; A199-F202 VanDerWaalsContact O-N 3.07Å; A199-F204 HydrophobicContact CB-CB 4.32Å; A199-F204 HydrophobicContact CB-CD2 3.98Å; A199-F204 HydrophobicContact CB-CG 4.49Å; A199-V206 HydrophobicContact CB-CG2 3.99Å
200	K	98.1	Very high	98.7	Very high	73 Å²	73	39.7 Å²	39.7	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-55.8	-38.5	176.8	-78.7	178.5	171.4	-158.9	0	113.6	A196 R198 F202 G203 V206 L221 G222 V223	A196-K200 WeakPolarHBondContact O-CG 3.11Å; A196-K200 PolarHBondContact O-N 2.76Å; R198-K200 VanDerWaalsContact C-N 3.27Å; R198-K200 PolarHBondContact O-N 3.32Å; K200-F202 PolarHBondContact O-N 2.95Å; K200-G203 PolarHBondContact O-N 2.83Å; K200-V206 HydrophobicContact CG-CG2 4.25Å; K200-L221 PolarHBondContact NZ-O 2.91Å; K200-G222 PolarHBondContact NZ-O 3.05Å; K200-V223 VanDerWaalsContact CE-CG1 3.41Å
201	A	98.4	Very high	98.6	Very high	88 Å²	88	36 Å²	36	73%	0.727	20%	0.195	S	C	*	.	H	α-helix	trans	-64.3	-27.6	-179.8	0	0	0	0	0	112.6	R198 A199 G203	R198-A201 PolarHBondContact O-N 3.02Å; A199-A201 VanDerWaalsContact C-N 3.27Å; A199-A201 PolarHBondContact O-N 3.47Å; A201-G203 VanDerWaalsContact C-N 3.27Å; A201-G203 PolarHBondContact O-N 3Å
202	F	98.8	Very high	98.5	Very high	89 Å²	89	42 Å²	42	39%	0.39	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.4	175.3	-65.4	-88.8	0	0	0	113.2	L139 L143 I178 R198 A199 K200 F204	L139-F202 HydrophobicContact CD1-CD2 4.44Å; L139-F202 HydrophobicContact CD1-CE2 4.45Å; L143-F202 HydrophobicContact CD1-CE1 3.81Å; L143-F202 HydrophobicContact CD1-CZ 3.79Å; L143-F202 HydrophobicContact CD2-CD1 3.88Å; L143-F202 HydrophobicContact CD2-CE1 3.87Å; L143-F202 HydrophobicContact CD2-CG 4.48Å; L143-F202 HydrophobicContact CD2-CZ 4.46Å; L143-F202 HydrophobicContact CG-CE1 4.48Å; I178-F202 HydrophobicContact CG2-CB 3.91Å; R198-F202 WeakPolarHBondContact O-CD2 3.48Å; A199-F202 PolarHBondContact O-N 2.89Å; A199-F202 VanDerWaalsContact O-N 3.07Å; K200-F202 PolarHBondContact O-N 2.95Å; F202-F204 HydrophobicContact CB-CD2 4.17Å; F202-F204 HydrophobicContact CB-CE2 4.43Å
203	G	98.6	Very high	98.4	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	21.6	179.7	0	0	0	0	0	114.6	R179 G180 K200 A201	R179-G203 WeakPolarHBondContact CA-O 3.42Å; G180-G203 PolarHBondContact N-O 3.21Å; K200-G203 PolarHBondContact O-N 2.83Å; A201-G203 VanDerWaalsContact C-N 3.27Å; A201-G203 PolarHBondContact O-N 3Å
204	F	98.9	Very high	98.2	Very high	12 Å²	12	50 Å²	50	5%	0.053	25%	0.254	C	S	.	.			trans	-68.3	142.1	168.5	-80.3	-71.9	0	0	0	111.2	V142 Y146 I178 E181 L183 A199 F202 V206	V142-F204 HydrophobicContact CG1-CE2 3.92Å; V142-F204 HydrophobicContact CG1-CZ 3.68Å; Y146-F204 HydrophobicContact CD2-CZ 4.05Å; Y146-F204 AromaticContact CE2-CE1 3.87Å; Y146-F204 HydrophobicContact CE2-CE1 3.87Å; Y146-F204 AromaticContact CE2-CZ 3.67Å; Y146-F204 HydrophobicContact CE2-CZ 3.67Å; Y146-F204 AromaticContact CZ-CE1 3.85Å; I178-F204 HydrophobicContact CB-CZ 4.44Å; I178-F204 HydrophobicContact CG1-CZ 4.35Å; I178-F204 HydrophobicContact CG2-CD1 4.12Å; I178-F204 HydrophobicContact CG2-CD2 3.59Å; I178-F204 HydrophobicContact CG2-CE1 3.86Å; I178-F204 HydrophobicContact CG2-CE2 3.31Å; I178-F204 HydrophobicContact CG2-CG 4Å; I178-F204 HydrophobicContact CG2-CZ 3.45Å; I178-F204 VanDerWaalsContact CG2-CZ 3.45Å; E181-F204 HydrophobicContact CB-CD1 3.85Å; E181-F204 HydrophobicContact CB-CE1 3.75Å; E181-F204 WeakPolarHBondContact O-CA 3.36Å; E181-F204 WeakPolarHBondContact O-CD1 3.13Å; L183-F204 HydrophobicContact CB-CB 4.24Å; L183-F204 HydrophobicContact CB-CD1 3.78Å; L183-F204 HydrophobicContact CB-CE1 4.28Å; L183-F204 HydrophobicContact CB-CG 4.03Å; A199-F204 HydrophobicContact CB-CB 4.32Å; A199-F204 HydrophobicContact CB-CD2 3.98Å; A199-F204 HydrophobicContact CB-CG 4.49Å; F202-F204 HydrophobicContact CB-CD2 4.17Å; F202-F204 HydrophobicContact CB-CE2 4.43Å; F204-V206 HydrophobicContact CB-CG2 4.25Å
205	N	98.8	Very high	98	Very high	73 Å²	73	55 Å²	55	39%	0.39	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.6	156.3	179.1	32.4	0	0	0	108.3	E181 T182 L183	E181-N205 PolarHBondContact O-N 2.97Å; T182-N205 CarbonylContact C-O 3.51Å; T182-N205 VanDerWaalsContact CA-O 3.27Å; T182-N205 WeakPolarHBondContact CA-O 3.4Å; T182-N205 PolarHBondContact OG1-ND2 3.43Å; L183-N205 PolarHBondContact N-O 3.34Å
206	V	98.8	Very high	97.7	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.8	-177.6	-177.2	0	0	0	0	110	L185 A196 A199 K200 F204 V223 Q224	L185-V206 HydrophobicContact CD1-CG1 3.83Å; L185-V206 HydrophobicContact CG-CG1 4.22Å; A196-V206 HydrophobicContact CB-CG1 3.79Å; A199-V206 HydrophobicContact CB-CG2 3.99Å; K200-V206 HydrophobicContact CG-CG2 4.25Å; F204-V206 HydrophobicContact CB-CG2 4.25Å; V206-V223 HydrophobicContact CB-CG1 4.04Å; V206-V223 HydrophobicContact CG1-CG1 4.13Å; V206-Q224 PolarHBondContact O-N 2.95Å
207	I	98.9	Very high	97.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.6	170.9	74.2	175.8	0	0	0	110.2	T182 L183 G184 L185 Q224 L232 Q235	T182-I207 HydrophobicContact CG2-CD1 3.83Å; T182-I207 HydrophobicContact CG2-CG1 3.92Å; T182-I207 HydrophobicContact CG2-CG2 3.92Å; L183-I207 PolarHBondContact O-N 3.26Å; G184-I207 WeakPolarHBondContact CA-O 3.41Å; L185-I207 PolarHBondContact N-O 3.35Å; I207-Q224 CarbonylContact C-O 3.53Å; I207-Q224 WeakPolarHBondContact CA-O 3.44Å; I207-Q224 HydrophobicContact CG2-CB 4.01Å; I207-Q224 HydrophobicContact CG2-CG 4.41Å; I207-L232 HydrophobicContact CD1-CG 4.35Å; I207-L232 HydrophobicContact CG1-CG 4.42Å; I207-Q235 HydrophobicContact CD1-CB 3.58Å
208	F	98.9	Very high	97.2	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.7	176.5	78.4	-86.6	0	0	0	113.7	L185 F188 D210 L213 E218 V223 Q224 R225 V226	L185-F208 HydrophobicContact CB-CB 4.1Å; L185-F208 CarbonylContact O-C 3.59Å; L185-F208 WeakPolarHBondContact O-CA 3.42Å; L185-F208 WeakPolarHBondContact O-CB 3.24Å; F188-F208 HydrophobicContact CB-CB 4.15Å; F188-F208 HydrophobicContact CB-CD2 3.31Å; F188-F208 HydrophobicContact CB-CE2 3.79Å; F188-F208 HydrophobicContact CB-CG 3.83Å; F188-F208 AromaticContact CD1-CD1 3.92Å; F188-F208 HydrophobicContact CD1-CD1 3.92Å; F188-F208 AromaticContact CD1-CD2 3.75Å; F188-F208 HydrophobicContact CD1-CD2 3.75Å; F188-F208 AromaticContact CD1-CE1 3.84Å; F188-F208 HydrophobicContact CD1-CE1 3.84Å; F188-F208 AromaticContact CD1-CE2 3.66Å; F188-F208 HydrophobicContact CD1-CE2 3.66Å; F188-F208 AromaticContact CD1-CG 3.86Å; F188-F208 HydrophobicContact CD1-CG 3.86Å; F188-F208 AromaticContact CD1-CZ 3.69Å; F188-F208 HydrophobicContact CD1-CZ 3.69Å; F188-F208 HydrophobicContact CD2-CB 3.72Å; F188-F208 HydrophobicContact CD2-CD1 4.19Å; F188-F208 HydrophobicContact CD2-CD2 4.17Å; F188-F208 AromaticContact CD2-CG 3.77Å; F188-F208 HydrophobicContact CD2-CG 3.77Å; F188-F208 HydrophobicContact CE1-CD1 4Å; F188-F208 AromaticContact CE1-CE1 3.87Å; F188-F208 HydrophobicContact CE1-CE1 3.87Å; F188-F208 HydrophobicContact CE1-CE2 4.5Å; F188-F208 HydrophobicContact CE1-CG 4.36Å; F188-F208 HydrophobicContact CE1-CZ 4.11Å; F188-F208 HydrophobicContact CE2-CB 4.31Å; F188-F208 HydrophobicContact CE2-CD1 4.28Å; F188-F208 HydrophobicContact CE2-CG 4.3Å; F188-F208 HydrophobicContact CG-CB 3.96Å; F188-F208 HydrophobicContact CG-CD1 4.03Å; F188-F208 AromaticContact CG-CD2 3.49Å; F188-F208 HydrophobicContact CG-CD2 3.49Å; F188-F208 VanDerWaalsContact CG-CD2 3.49Å; F188-F208 HydrophobicContact CG-CE1 4.39Å; F188-F208 AromaticContact CG-CE2 3.89Å; F188-F208 HydrophobicContact CG-CE2 3.89Å; F188-F208 AromaticContact CG-CG 3.55Å; F188-F208 HydrophobicContact CG-CG 3.55Å; F188-F208 HydrophobicContact CG-CZ 4.3Å; F188-F208 HydrophobicContact CZ-CD1 4.21Å; F188-F208 HydrophobicContact CZ-CE1 4.46Å; F208-D210 HydrophobicContact CD2-CB 4.18Å; F208-D210 HydrophobicContact CE2-CB 4.29Å; F208-L213 HydrophobicContact CE2-CD1 4.39Å; F208-E218 HydrophobicContact CE1-CB 3.62Å; F208-E218 HydrophobicContact CZ-CB 3.89Å; F208-V223 HydrophobicContact CD1-CG2 3.77Å; F208-V223 HydrophobicContact CE1-CG2 3.7Å; F208-Q224 WeakPolarHBondContact CD1-O 3.48Å; F208-Q224 PolarHBondContact N-O 2.91Å; F208-R225 HydrophobicContact CD1-CB 4.32Å; F208-R225 HydrophobicContact CD2-CG 4.27Å; F208-R225 HydrophobicContact CE1-CB 3.64Å; F208-R225 HydrophobicContact CE1-CG 4.06Å; F208-R225 HydrophobicContact CE2-CB 4.18Å; F208-R225 HydrophobicContact CE2-CG 3.64Å; F208-R225 HydrophobicContact CZ-CB 3.58Å; F208-R225 HydrophobicContact CZ-CG 3.53Å; F208-V226 WeakPolarHBondContact O-CG2 3.08Å; F208-V226 PolarHBondContact O-N 3.29Å
209	Y	98.9	Very high	97	Very high	45 Å²	45	60.3 Å²	60.3	18%	0.176	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.2	170.7	168.6	-111.3	0	0	0	108.5	L185 I186 G187 P211 Y227 L229 L232	L185-Y209 PolarHBondContact O-N 3.07Å; I186-Y209 HydrophobicContact CG2-CD1 4.31Å; G187-Y209 PolarHBondContact N-O 2.78Å; Y209-P211 HydrophobicContact CE1-CG 4.33Å; Y209-P211 HydrophobicContact CE2-CB 4.21Å; Y209-P211 HydrophobicContact CE2-CG 4.45Å; Y209-Y227 WeakPolarHBondContact CE2-O 3.43Å; Y209-L229 HydrophobicContact CD1-CB 4.26Å; Y209-L229 HydrophobicContact CD1-CD1 4.25Å; Y209-L229 HydrophobicContact CE1-CB 4.01Å; Y209-L232 VanDerWaalsContact N-CD1 3.29Å
210	D	98.6	Very high	96.8	Very high	20 Å²	20	65.3 Å²	65.3	11%	0.107	34%	0.337	C	S	.	.			trans	-148.1	107.9	171.5	-166.3	-42.1	0	0	0	108.3	F188 F208 Y212 L213 R225	F188-D210 HydrophobicContact CB-CB 4.06Å; F188-D210 PolarHBondContact N-OD2 3.49Å; F208-D210 HydrophobicContact CD2-CB 4.18Å; F208-D210 HydrophobicContact CE2-CB 4.29Å; D210-Y212 VanDerWaalsContact C-N 3.25Å; D210-Y212 PolarHBondContact O-N 3.17Å; D210-Y212 PolarHBondContact OD1-N 3.08Å; D210-L213 HydrophobicContact CB-CB 4.35Å; D210-L213 HydrophobicContact CB-CD1 3.75Å; D210-L213 HydrophobicContact CB-CG 4Å; D210-L213 PolarHBondContact OD1-N 3.15Å; D210-R225 PolarHBondContact O-NH2 3.36Å
211	P	97.6	Very high	96.6	Very high	71 Å²	71	63.8 Å²	63.8	46%	0.461	33%	0.333	S	S	.	.	S	Bend	trans	-76.9	-10.8	-175.3	31.6	-35.2	0	0	0	113.2	Y209	Y209-P211 HydrophobicContact CE1-CG 4.33Å; Y209-P211 HydrophobicContact CE2-CB 4.21Å; Y209-P211 HydrophobicContact CE2-CG 4.45Å
212	Y	96.9	Very high	96.6	Very high	156 Å²	156	62.2 Å²	62.2	61%	0.612	32%	0.324	S	S	*	.	S	Bend	trans	-101.7	-13.3	-174.8	-56.1	-60.4	0	0	0	113.4	D210	D210-Y212 VanDerWaalsContact C-N 3.25Å; D210-Y212 PolarHBondContact O-N 3.17Å; D210-Y212 PolarHBondContact OD1-N 3.08Å
213	L	95.4	Very high	96.5	Very high	50 Å²	50	58.6 Å²	58.6	26%	0.262	31%	0.31	S	S	.	.	S	Bend	trans	-76.2	143	176.9	-72.5	178.2	0	0	0	112.7	F188 F208 D210 L217 R225	F188-L213 HydrophobicContact CB-CD1 3.72Å; F188-L213 HydrophobicContact CD1-CD1 4.2Å; F188-L213 HydrophobicContact CG-CD1 4.46Å; F188-L213 WeakPolarHBondContact O-CD1 3.38Å; F208-L213 HydrophobicContact CE2-CD1 4.39Å; D210-L213 HydrophobicContact CB-CB 4.35Å; D210-L213 HydrophobicContact CB-CD1 3.75Å; D210-L213 HydrophobicContact CB-CG 4Å; D210-L213 PolarHBondContact OD1-N 3.15Å; L213-L217 HydrophobicContact CD1-CD2 4Å; L213-R225 PolarHBondContact O-NH1 3.42Å; L213-R225 PolarHBondContact O-NH2 3.13Å
214	Q	94.1	Very high	96.5	Very high	176 Å²	176	62.1 Å²	62.1	82%	0.822	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-69.4	153.4	168.5	-63.9	-179.9	-3.8	0	0	111
215	D	94.4	Very high	96.5	Very high	117 Å²	117	62.9 Å²	62.9	63%	0.626	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	146.7	178.6	-62.8	-17.3	0	0	0	112.3	R225	D215-R225 IonicContact OD1-CZ 3.63Å; D215-R225 IonicContact OD1-NH1 3.86Å; D215-R225 PolarHBondContact OD1-NH1 3.3Å
216	G	93.7	Very high	96.5	Very high	14 Å²	14	59.8 Å²	59.8	14%	0.144	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	117.4	-23.9	171.2	0	0	0	0	0	114.6	E218 R219 S220	G216-E218 WeakPolarHBondContact CA-OE1 3.47Å; G216-E218 VanDerWaalsContact N-CD 3.34Å; G216-E218 PolarHBondContact N-OE1 3.43Å; G216-E218 PolarHBondContact N-OE2 2.93Å; G216-E218 PolarHBondContact O-N 3.2Å; G216-R219 WeakPolarHBondContact O-CB 3.48Å; G216-R219 PolarHBondContact O-N 3.23Å; G216-R219 VanDerWaalsContact O-N 3.1Å; G216-S220 PolarHBondContact O-N 3.13Å; G216-S220 VanDerWaalsContact O-N 3.16Å; G216-S220 PolarHBondContact O-OG 3.23Å
217	L	92.2	Very high	96.4	Very high	46 Å²	46	66.5 Å²	66.5	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-33.8	-179.4	-173	66.6	0	0	0	112.1	F188 Q193 L213 R219 S220 L221	F188-L217 HydrophobicContact CD1-CD2 3.64Å; F188-L217 HydrophobicContact CD1-CG 4.33Å; F188-L217 HydrophobicContact CE1-CD2 3.84Å; F188-L217 HydrophobicContact CE1-CG 4.1Å; Q193-L217 HydrophobicContact CG-CD2 4.31Å; Q193-L217 VanDerWaalsContact NE2-CD2 3.35Å; L213-L217 HydrophobicContact CD1-CD2 4Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 2.77Å; L217-S220 PolarHBondContact O-N 3.33Å; L217-L221 HydrophobicContact CD1-CD1 4.01Å; L217-L221 HydrophobicContact CD1-CG 4.3Å; L217-L221 HydrophobicContact CG-CD1 4.1Å; L217-L221 PolarHBondContact O-N 3.42Å
218	E	94.2	Very high	96.4	Very high	24 Å²	24	69.2 Å²	69.2	11%	0.112	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-37.5	174.7	71.6	-68	153.1	0	0	112.4	F208 G216 G222 V223 R225	F208-E218 HydrophobicContact CE1-CB 3.62Å; F208-E218 HydrophobicContact CZ-CB 3.89Å; G216-E218 WeakPolarHBondContact CA-OE1 3.47Å; G216-E218 VanDerWaalsContact N-CD 3.34Å; G216-E218 PolarHBondContact N-OE1 3.43Å; G216-E218 PolarHBondContact N-OE2 2.93Å; G216-E218 PolarHBondContact O-N 3.2Å; E218-G222 WeakPolarHBondContact O-CA 3.43Å; E218-G222 PolarHBondContact O-N 2.56Å; E218-V223 WeakPolarHBondContact CB-O 3.35Å; E218-V223 PolarHBondContact O-N 3.4Å; E218-V223 VanDerWaalsContact O-O 3.09Å; E218-R225 HydrophobicContact CB-CB 3.88Å; E218-R225 HydrophobicContact CG-CB 4.09Å
219	R	94.2	Very high	96.4	Very high	193 Å²	193	70.4 Å²	70.4	73%	0.728	36%	0.357	S	S	*	.	H	α-helix	trans	-73.2	-44.9	176.7	-68.4	-177.1	-76.5	-160.9	-2.9	111.5	G216 L217 L221 G222	G216-R219 WeakPolarHBondContact O-CB 3.48Å; G216-R219 PolarHBondContact O-N 3.23Å; G216-R219 VanDerWaalsContact O-N 3.1Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 2.77Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.32Å; R219-G222 PolarHBondContact O-N 2.81Å
220	S	94.9	Very high	96.4	Very high	104 Å²	104	73.8 Å²	73.8	73%	0.727	38%	0.375	S	S	*	.	H	α-helix	trans	-61.1	-40.1	-179.7	-60.7	0	0	0	0	112.6	G216 L217	G216-S220 PolarHBondContact O-N 3.13Å; G216-S220 VanDerWaalsContact O-N 3.16Å; G216-S220 PolarHBondContact O-OG 3.23Å; L217-S220 PolarHBondContact O-N 3.33Å
221	L	94.6	Very high	96.4	Very high	42 Å²	42	76.1 Å²	76.1	22%	0.22	39%	0.387	C	S	.	.	H	α-helix	trans	-93.8	-4	179.8	-64.9	177.3	0	0	0	113	F188 Q193 M197 K200 L217 R219 V223	F188-L221 HydrophobicContact CE1-CD1 3.74Å; F188-L221 HydrophobicContact CZ-CD1 3.79Å; Q193-L221 HydrophobicContact CB-CD1 4.14Å; Q193-L221 HydrophobicContact CG-CD1 3.72Å; M197-L221 HydrophobicContact SD-CD2 4.01Å; K200-L221 PolarHBondContact NZ-O 2.91Å; L217-L221 HydrophobicContact CD1-CD1 4.01Å; L217-L221 HydrophobicContact CD1-CG 4.3Å; L217-L221 HydrophobicContact CG-CD1 4.1Å; L217-L221 PolarHBondContact O-N 3.42Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.32Å; L221-V223 HydrophobicContact CB-CG2 4.23Å
222	G	96.5	Very high	96.5	Very high	54 Å²	54	72.7 Å²	72.7	56%	0.557	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	45.1	179.9	0	0	0	0	0	113	K200 E218 R219	K200-G222 PolarHBondContact NZ-O 3.05Å; E218-G222 WeakPolarHBondContact O-CA 3.43Å; E218-G222 PolarHBondContact O-N 2.56Å; R219-G222 PolarHBondContact O-N 2.81Å
223	V	97.6	Very high	96.6	Very high	14 Å²	14	65.3 Å²	65.3	9%	0.085	34%	0.336	C	S	.	.			trans	-122.6	156.7	177.2	-67.2	0	0	0	0	109.3	F188 A196 K200 V206 F208 E218 L221	F188-V223 HydrophobicContact CE1-CG2 3.95Å; F188-V223 HydrophobicContact CE2-CG2 4.5Å; F188-V223 HydrophobicContact CZ-CG2 3.65Å; A196-V223 HydrophobicContact CB-CG1 4.42Å; K200-V223 VanDerWaalsContact CE-CG1 3.41Å; V206-V223 HydrophobicContact CB-CG1 4.04Å; V206-V223 HydrophobicContact CG1-CG1 4.13Å; F208-V223 HydrophobicContact CD1-CG2 3.77Å; F208-V223 HydrophobicContact CE1-CG2 3.7Å; E218-V223 WeakPolarHBondContact CB-O 3.35Å; E218-V223 PolarHBondContact O-N 3.4Å; E218-V223 VanDerWaalsContact O-O 3.09Å; L221-V223 HydrophobicContact CB-CG2 4.23Å
224	Q	98.3	Very high	96.7	Very high	89 Å²	89	71 Å²	71	42%	0.416	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.1	-179.9	-179.4	-176.9	-20.9	0	0	110.6	V206 I207 F208	V206-Q224 PolarHBondContact O-N 2.95Å; I207-Q224 CarbonylContact C-O 3.53Å; I207-Q224 WeakPolarHBondContact CA-O 3.44Å; I207-Q224 HydrophobicContact CG2-CB 4.01Å; I207-Q224 HydrophobicContact CG2-CG 4.41Å; F208-Q224 WeakPolarHBondContact CD1-O 3.48Å; F208-Q224 PolarHBondContact N-O 2.91Å
225	R	98.6	Very high	97	Very high	27 Å²	27	65.1 Å²	65.1	10%	0.102	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.7	169.9	-170.8	174.2	-173.3	-172.9	-1.1	110.2	F208 D210 L213 D215 E218 Y227	F208-R225 HydrophobicContact CD1-CB 4.32Å; F208-R225 HydrophobicContact CD2-CG 4.27Å; F208-R225 HydrophobicContact CE1-CB 3.64Å; F208-R225 HydrophobicContact CE1-CG 4.06Å; F208-R225 HydrophobicContact CE2-CB 4.18Å; F208-R225 HydrophobicContact CE2-CG 3.64Å; F208-R225 HydrophobicContact CZ-CB 3.58Å; F208-R225 HydrophobicContact CZ-CG 3.53Å; D210-R225 PolarHBondContact O-NH2 3.36Å; L213-R225 PolarHBondContact O-NH1 3.42Å; L213-R225 PolarHBondContact O-NH2 3.13Å; D215-R225 IonicContact OD1-CZ 3.63Å; D215-R225 IonicContact OD1-NH1 3.86Å; D215-R225 PolarHBondContact OD1-NH1 3.3Å; E218-R225 HydrophobicContact CB-CB 3.88Å; E218-R225 HydrophobicContact CG-CB 4.09Å; R225-Y227 HydrophobicContact CG-CE1 4.31Å
226	V	98.7	Very high	97.2	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	30%	0.298	C	S	.	.			trans	-116.3	153	164.5	-60.1	0	0	0	0	109.3	F208 D231 L232	F208-V226 WeakPolarHBondContact O-CG2 3.08Å; F208-V226 PolarHBondContact O-N 3.29Å; V226-D231 HydrophobicContact CB-CB 3.94Å; V226-D231 HydrophobicContact CG1-CB 4.32Å; V226-D231 HydrophobicContact CG2-CB 4.28Å; V226-L232 HydrophobicContact CG2-CB 3.66Å; V226-L232 HydrophobicContact CG2-CD1 4.33Å; V226-L232 HydrophobicContact CG2-CG 4.41Å
227	Y	98.2	Very high	97.4	Very high	146 Å²	146	60.3 Å²	60.3	57%	0.573	30%	0.299	S	S	*	.	S	Bend	trans	-106.4	-3.6	-167.8	-62.8	-79.8	0	0	0	113.9	Y209 R225	Y209-Y227 WeakPolarHBondContact CE2-O 3.43Å; R225-Y227 HydrophobicContact CG-CE1 4.31Å
228	T	98.7	Very high	97.7	Very high	57 Å²	57	58.1 Å²	58.1	35%	0.35	29%	0.287	S	S	.	.	S	Bend	trans	-128.8	150.4	172.3	76.3	0	0	0	0	110.3	Q230 D231 L232	T228-Q230 VanDerWaalsContact C-N 3.25Å; T228-Q230 PolarHBondContact O-N 3.35Å; T228-D231 PolarHBondContact O-N 3.01Å; T228-D231 WeakPolarHBondContact OG1-CB 3.42Å; T228-D231 PolarHBondContact OG1-N 3.39Å; T228-D231 PolarHBondContact OG1-OD2 2.86Å; T228-L232 PolarHBondContact O-N 2.99Å
229	L	98.8	Very high	98	Very high	25 Å²	25	57 Å²	57	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-41.5	172.3	177.8	63	0	0	0	110.9	I186 Y209 D231 L232 L233 L252 T257	I186-L229 HydrophobicContact CD1-CD1 3.49Å; I186-L229 VanDerWaalsContact CD1-CD1 3.49Å; I186-L229 HydrophobicContact CG1-CD1 4.03Å; Y209-L229 HydrophobicContact CD1-CB 4.26Å; Y209-L229 HydrophobicContact CD1-CD1 4.25Å; Y209-L229 HydrophobicContact CE1-CB 4.01Å; L229-D231 PolarHBondContact O-N 2.88Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L229-L233 HydrophobicContact CD1-CD1 4.1Å; L229-L233 HydrophobicContact CD1-CD2 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.02Å; L229-L233 HydrophobicContact CD2-CD1 4.29Å; L229-L233 HydrophobicContact CG-CD1 3.79Å; L229-L233 HydrophobicContact CG-CG 4.14Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 2.86Å; L229-L252 HydrophobicContact CD2-CD1 3.73Å; L229-L252 HydrophobicContact CD2-CG 4.13Å; L229-T257 HydrophobicContact CD2-CG2 3.95Å
230	Q	98.8	Very high	98.2	Very high	116 Å²	116	47.8 Å²	47.8	54%	0.542	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-46.2	179.8	-179.2	-179.6	-5.5	0	0	112.1	T228 L232 L233 Y234	T228-Q230 VanDerWaalsContact C-N 3.25Å; T228-Q230 PolarHBondContact O-N 3.35Å; Q230-L232 VanDerWaalsContact C-N 3.26Å; Q230-L232 PolarHBondContact O-N 2.86Å; Q230-L233 PolarHBondContact O-N 2.98Å; Q230-Y234 VanDerWaalsContact O-CB 3.3Å; Q230-Y234 WeakPolarHBondContact O-CB 3.24Å; Q230-Y234 PolarHBondContact O-N 3.33Å
231	D	98.8	Very high	98.4	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-38	179	-68.6	-39.6	0	0	0	111.7	V226 T228 L229 Q235	V226-D231 HydrophobicContact CB-CB 3.94Å; V226-D231 HydrophobicContact CG1-CB 4.32Å; V226-D231 HydrophobicContact CG2-CB 4.28Å; T228-D231 PolarHBondContact O-N 3.01Å; T228-D231 WeakPolarHBondContact OG1-CB 3.42Å; T228-D231 PolarHBondContact OG1-N 3.39Å; T228-D231 PolarHBondContact OG1-OD2 2.86Å; L229-D231 PolarHBondContact O-N 2.88Å; D231-Q235 WeakPolarHBondContact O-CB 3.23Å; D231-Q235 VanDerWaalsContact O-CG 3.3Å; D231-Q235 WeakPolarHBondContact O-CG 3.47Å; D231-Q235 PolarHBondContact O-N 3.42Å; D231-Q235 PolarHBondContact O-NE2 2.89Å
232	L	98.9	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-52.3	176.2	-173.1	143.5	0	0	0	110.9	L185 I186 I207 Y209 V226 T228 L229 Q230 Y234 Q235 S236 V239	L185-L232 VanDerWaalsContact O-CD1 3.27Å; L185-L232 WeakPolarHBondContact O-CD1 3.33Å; I186-L232 HydrophobicContact CD1-CD2 4.01Å; I186-L232 HydrophobicContact CG1-CD1 4.06Å; I186-L232 HydrophobicContact CG1-CD2 3.68Å; I186-L232 HydrophobicContact CG1-CG 4.48Å; I207-L232 HydrophobicContact CD1-CG 4.35Å; I207-L232 HydrophobicContact CG1-CG 4.42Å; Y209-L232 VanDerWaalsContact N-CD1 3.29Å; V226-L232 HydrophobicContact CG2-CB 3.66Å; V226-L232 HydrophobicContact CG2-CD1 4.33Å; V226-L232 HydrophobicContact CG2-CG 4.41Å; T228-L232 PolarHBondContact O-N 2.99Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-L232 VanDerWaalsContact O-N 3.15Å; Q230-L232 VanDerWaalsContact C-N 3.26Å; Q230-L232 PolarHBondContact O-N 2.86Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 2.91Å; L232-Q235 PolarHBondContact O-N 2.81Å; L232-S236 VanDerWaalsContact O-CB 3.31Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 2.91Å; L232-S236 VanDerWaalsContact O-N 3.1Å; L232-S236 PolarHBondContact O-OG 3.33Å; L232-V239 HydrophobicContact CD2-CG1 4.21Å; L232-V239 HydrophobicContact CD2-CG2 4.18Å
233	L	98.9	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-37.8	-176.4	-63	177.1	0	0	0	111.6	I186 L229 Q230 V239 I253 T257 Q260 M261	I186-L233 HydrophobicContact CD1-CD2 4.14Å; L229-L233 HydrophobicContact CD1-CD1 4.1Å; L229-L233 HydrophobicContact CD1-CD2 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.02Å; L229-L233 HydrophobicContact CD2-CD1 4.29Å; L229-L233 HydrophobicContact CG-CD1 3.79Å; L229-L233 HydrophobicContact CG-CG 4.14Å; L229-L233 WeakPolarHBondContact O-CG 3.47Å; L229-L233 PolarHBondContact O-N 2.86Å; Q230-L233 PolarHBondContact O-N 2.98Å; L233-V239 HydrophobicContact CD2-CG1 4.14Å; L233-V239 HydrophobicContact CD2-CG2 3.98Å; L233-I253 HydrophobicContact CD2-CD1 4.21Å; L233-T257 HydrophobicContact CD1-CG2 4.48Å; L233-T257 WeakPolarHBondContact CD1-O 3.32Å; L233-Q260 CarbonylContact C-O 3.55Å; L233-Q260 HydrophobicContact CB-CB 4.26Å; L233-Q260 HydrophobicContact CD1-CB 4.24Å; L233-M261 HydrophobicContact CB-CG 4.21Å; L233-M261 HydrophobicContact CD2-CG 3.94Å; L233-M261 HydrophobicContact CG-CG 4.45Å
234	Y	98.6	Very high	98.7	Very high	169 Å²	169	42.6 Å²	42.6	66%	0.663	20%	0.199	S	C	*	.	H	α-helix	trans	-69.5	-32.9	178.8	-174.3	-101.8	0	0	0	113.4	Q230 L232 R262	Q230-Y234 VanDerWaalsContact O-CB 3.3Å; Q230-Y234 WeakPolarHBondContact O-CB 3.24Å; Q230-Y234 PolarHBondContact O-N 3.33Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 2.91Å; Y234-R262 VanDerWaalsContact O-CG 3.27Å; Y234-R262 WeakPolarHBondContact O-CG 3.49Å; Y234-R262 PolarHBondContact O-NE 2.9Å
235	Q	98.8	Very high	98.7	Very high	54 Å²	54	40 Å²	40	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-91	-14.9	-176.2	-71.9	174.4	78.1	0	0	114	T182 I207 D231 L232 R262	T182-Q235 VanDerWaalsContact CB-O 3.28Å; T182-Q235 WeakPolarHBondContact CB-O 3.27Å; T182-Q235 VanDerWaalsContact CG2-O 3.31Å; T182-Q235 WeakPolarHBondContact CG2-O 3.37Å; I207-Q235 HydrophobicContact CD1-CB 3.58Å; D231-Q235 WeakPolarHBondContact O-CB 3.23Å; D231-Q235 VanDerWaalsContact O-CG 3.3Å; D231-Q235 WeakPolarHBondContact O-CG 3.47Å; D231-Q235 PolarHBondContact O-N 3.42Å; D231-Q235 PolarHBondContact O-NE2 2.89Å; L232-Q235 PolarHBondContact O-N 2.81Å; Q235-R262 PolarHBondContact O-NH1 2.81Å; Q235-R262 PolarHBondContact O-NH2 2.87Å
236	S	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.			trans	-96.1	132.6	-169.4	-56.4	0	0	0	0	113.2	G184 L232 R262	G184-S236 WeakPolarHBondContact CA-OG 3.22Å; G184-S236 PolarHBondContact N-OG 2.96Å; L232-S236 VanDerWaalsContact O-CB 3.31Å; L232-S236 WeakPolarHBondContact O-CB 3.21Å; L232-S236 PolarHBondContact O-N 2.91Å; L232-S236 VanDerWaalsContact O-N 3.1Å; L232-S236 PolarHBondContact O-OG 3.33Å; S236-R262 WeakPolarHBondContact O-CD 3.28Å
237	D	98.9	Very high	98.4	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-85.3	-27.2	169.9	-55.1	-56.8	0	0	0	111.1	E181 T182 R262 A265 F266	E181-D237 HydrophobicContact CB-CB 4.42Å; E181-D237 VanDerWaalsContact OE2-CB 3.23Å; E181-D237 WeakPolarHBondContact OE2-CB 3.39Å; T182-D237 PolarHBondContact N-OD2 3Å; T182-D237 PolarHBondContact O-N 3.41Å; D237-R262 WeakPolarHBondContact OD1-CD 3.37Å; D237-R262 IonicContact OD1-CZ 3.86Å; D237-R262 IonicContact OD1-NE 3.37Å; D237-R262 IonicContact OD1-NH1 3.72Å; D237-R262 PolarHBondContact OD1-NH1 2.82Å; D237-R262 IonicContact OD2-NH1 2.81Å; D237-R262 PolarHBondContact OD2-NH1 3.03Å; D237-A265 CarbonylContact O-C 3.6Å; D237-A265 WeakPolarHBondContact O-CA 3.45Å; D237-A265 WeakPolarHBondContact O-CB 3.24Å; D237-F266 PolarHBondContact O-N 3.34Å
238	C	98.9	Very high	98.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.6	171	-176.9	0	0	0	0	109.3	Y146 T182 L183 G184 F266	Y146-C238 HydrophobicContact CE2-CB 3.89Å; T182-C238 PolarHBondContact O-N 3.14Å; T182-C238 VanDerWaalsContact O-N 3.15Å; L183-C238 WeakPolarHBondContact CA-O 3.31Å; L183-C238 HydrophobicContact CD1-CB 3.84Å; G184-C238 PolarHBondContact N-O 3.31Å; C238-F266 WeakPolarHBondContact CA-O 3.47Å; C238-F266 HydrophobicContact CB-CB 4.11Å
239	V	99	Very high	98.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.9	175.6	176.3	0	0	0	0	109	G184 I186 L232 L233 L241 M261 F266 L267 V268	G184-V239 CarbonylContact O-C 3.28Å; G184-V239 WeakPolarHBondContact O-CA 3.47Å; I186-V239 HydrophobicContact CD1-CG1 3.6Å; I186-V239 HydrophobicContact CG1-CG1 4.26Å; L232-V239 HydrophobicContact CD2-CG1 4.21Å; L232-V239 HydrophobicContact CD2-CG2 4.18Å; L233-V239 HydrophobicContact CD2-CG1 4.14Å; L233-V239 HydrophobicContact CD2-CG2 3.98Å; V239-L241 HydrophobicContact CG1-CD2 4.49Å; V239-M261 HydrophobicContact CB-CE 4.03Å; V239-M261 HydrophobicContact CG2-CE 3.83Å; V239-F266 PolarHBondContact N-O 3.36Å; V239-L267 HydrophobicContact CB-CD1 4.13Å; V239-L267 HydrophobicContact CG1-CD1 4.07Å; V239-L267 CarbonylContact O-C 3.53Å; V239-L267 WeakPolarHBondContact O-CA 3.11Å; V239-V268 PolarHBondContact O-N 3.4Å
240	S	98.9	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.9	175.4	-164.8	0	0	0	0	112.2	T138 G184 I186 H242 V268	T138-S240 WeakPolarHBondContact CG2-OG 3.48Å; G184-S240 PolarHBondContact O-N 2.93Å; I186-S240 PolarHBondContact N-O 3.13Å; S240-H242 PolarHBondContact OG-CE1 3.31Å; S240-H242 PolarHBondContact OG-NE2 3.12Å; S240-H242 VanDerWaalsContact OG-NE2 3.15Å; S240-V268 VanDerWaalsContact CA-O 3.3Å; S240-V268 WeakPolarHBondContact CA-O 3.4Å
241	L	98.9	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.8	-177.1	-55.4	-177.1	0	0	0	111.3	I186 V239 I253 V268 N269 A271 L275 V276	I186-L241 HydrophobicContact CB-CD2 3.88Å; I186-L241 HydrophobicContact CD1-CD2 3.6Å; I186-L241 HydrophobicContact CG1-CD2 4.24Å; I186-L241 HydrophobicContact CG2-CD2 4.37Å; V239-L241 HydrophobicContact CG1-CD2 4.49Å; L241-I253 HydrophobicContact CD1-CG1 4.08Å; L241-I253 HydrophobicContact CD2-CD1 4.35Å; L241-I253 HydrophobicContact CD2-CG1 4.03Å; L241-V268 PolarHBondContact N-O 2.65Å; L241-N269 HydrophobicContact CD1-CB 4.16Å; L241-A271 HydrophobicContact CB-CB 4.28Å; L241-A271 WeakPolarHBondContact O-CB 3.44Å; L241-L275 HydrophobicContact CB-CD1 4.38Å; L241-L275 HydrophobicContact CD1-CB 3.92Å; L241-L275 HydrophobicContact CD1-CD1 4.35Å; L241-V276 HydrophobicContact CD1-CG2 3.49Å; L241-V276 VanDerWaalsContact CD1-CG2 3.49Å
242	H	98.9	Very high	98.4	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.065	21%	0.214	C	C	.	.			trans	-138.7	13	179.4	-61.2	-54.7	0	0	0	113.4	T138 I186 S240	T138-H242 VanDerWaalsContact CG2-CE1 3.49Å; T138-H242 WeakPolarHBondContact CG2-CE1 3.24Å; I186-H242 CarbonylContact O-C 3.54Å; I186-H242 PolarHBondContact O-N 2.85Å; S240-H242 PolarHBondContact OG-CE1 3.31Å; S240-H242 PolarHBondContact OG-NE2 3.12Å; S240-H242 VanDerWaalsContact OG-NE2 3.15Å
243	C	98.6	Very high	98.4	Very high	20 Å²	20	45.4 Å²	45.4	14%	0.135	21%	0.214	C	C	.	.	S	Bend	trans	-85.8	152.4	172.3	57	0	0	0	0	111	I186 A271	I186-C243 PolarHBondContact O-N 3.44Å; C243-A271 WeakPolarHBondContact O-CB 3.44Å
244	N	98.1	Very high	98.4	Very high	71 Å²	71	47.7 Å²	47.7	38%	0.38	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-72.5	147.3	169.4	59.5	-53.1	0	0	0	110.4	N246 N249	N244-N246 PolarHBondContact O-ND2 3.17Å; N244-N249 PolarHBondContact O-ND2 3.28Å
245	L	98.4	Very high	98.4	Very high	34 Å²	34	42.9 Å²	42.9	18%	0.178	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-69.8	134	168.3	-176.3	63.6	0	0	0	109.6	D109 H250 R272 L275	D109-L245 HydrophobicContact CB-CB 3.99Å; D109-L245 HydrophobicContact CB-CD2 4.32Å; D109-L245 HydrophobicContact CB-CG 4.39Å; L245-H250 HydrophobicContact CD1-CB 4.4Å; L245-R272 HydrophobicContact CB-CB 3.86Å; L245-R272 HydrophobicContact CB-CG 3.87Å; L245-R272 HydrophobicContact CD2-CB 4.42Å; L245-L275 HydrophobicContact CB-CD2 4.42Å; L245-L275 HydrophobicContact CD1-CD2 3.85Å; L245-L275 HydrophobicContact CD1-CG 4.29Å
246	N	96.3	Very high	98.4	Very high	44 Å²	44	46.9 Å²	46.9	24%	0.235	23%	0.229	C	C	.	.			trans	-150.8	178.2	177.6	60.7	66.6	0	0	0	110.2	N244 H248 N249	N244-N246 PolarHBondContact O-ND2 3.17Å; N246-H248 PolarHBondContact O-N 3.12Å; N246-H248 PolarHBondContact OD1-N 3.13Å; N246-N249 PolarHBondContact N-OD1 3.48Å; N246-N249 PolarHBondContact ND2-ND2 3.12Å; N246-N249 PolarHBondContact O-N 3.26Å; N246-N249 PolarHBondContact O-OD1 2.99Å; N246-N249 VanDerWaalsContact O-OD1 3.08Å; N246-N249 PolarHBondContact OD1-N 3.32Å; N246-N249 PolarHBondContact OD1-OD1 3.21Å
247	E	95.1	Very high	98.4	Very high	165 Å²	165	47.3 Å²	47.3	77%	0.771	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	-175.2	-59.8	-178.1	173.9	0	0	114.5
248	H	97.6	Very high	98.4	Very high	149 Å²	149	46.1 Å²	46.1	69%	0.69	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-3.9	-172.5	-55.2	-42.9	0	0	0	114.3	N246	N246-H248 PolarHBondContact O-N 3.12Å; N246-H248 PolarHBondContact OD1-N 3.13Å
249	N	98.5	Very high	98.4	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.08	25%	0.252	C	S	.	.			trans	-132.7	16.9	-175	71	0.5	0	0	0	114.4	N244 N246 H251 L252 L275	N244-N249 PolarHBondContact O-ND2 3.28Å; N246-N249 PolarHBondContact N-OD1 3.48Å; N246-N249 PolarHBondContact ND2-ND2 3.12Å; N246-N249 PolarHBondContact O-N 3.26Å; N246-N249 PolarHBondContact O-OD1 2.99Å; N246-N249 VanDerWaalsContact O-OD1 3.08Å; N246-N249 PolarHBondContact OD1-N 3.32Å; N246-N249 PolarHBondContact OD1-OD1 3.21Å; N249-H251 PolarHBondContact O-N 3.01Å; N249-L252 HydrophobicContact CB-CB 4.26Å; N249-L252 HydrophobicContact CB-CD1 4.23Å; N249-L252 HydrophobicContact CB-CD2 4.47Å; N249-L252 WeakPolarHBondContact O-CB 3.44Å; N249-L252 PolarHBondContact O-N 3.17Å; N249-L252 VanDerWaalsContact O-N 3.1Å; N249-L275 HydrophobicContact CB-CD2 4.36Å; N249-L275 WeakPolarHBondContact O-CD2 3.36Å
250	H	98.6	Very high	98.4	Very high	113 Å²	113	54 Å²	54	52%	0.523	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	130.1	165.1	-177.5	-83.5	0	0	0	110	L245 L252	L245-H250 HydrophobicContact CD1-CB 4.4Å; H250-L252 PolarHBondContact O-N 3.22Å
251	H	98.8	Very high	98.4	Very high	45 Å²	45	54.8 Å²	54.8	21%	0.208	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	42.4	-171.7	-65.1	175.6	0	0	0	112.7	N249 I253 N254 G274 L275 D277 E299	N249-H251 PolarHBondContact O-N 3.01Å; H251-I253 PolarHBondContact O-N 3.29Å; H251-N254 HydrophobicContact CB-CB 4.44Å; H251-N254 WeakPolarHBondContact O-CB 3.46Å; H251-N254 PolarHBondContact O-ND2 3.06Å; H251-G274 PolarHBondContact N-O 3Å; H251-L275 CarbonylContact C-O 3.58Å; H251-D277 HydrophobicContact CB-CB 4.33Å; H251-E299 IonicContact CE1-OE2 3.52Å; H251-E299 VanDerWaalsContact NE2-CD 3.28Å; H251-E299 IonicContact NE2-OE1 2.72Å; H251-E299 PolarHBondContact NE2-OE1 3.11Å; H251-E299 IonicContact NE2-OE2 3.38Å; H251-E299 PolarHBondContact NE2-OE2 3.33Å
252	L	98.9	Very high	98.3	Very high	32 Å²	32	59.4 Å²	59.4	17%	0.168	28%	0.281	C	S	.	.	S	Bend	trans	-50.8	-40.4	172	-174.8	66.3	0	0	0	111.9	I186 L229 N249 H250 T257 L275	I186-L252 HydrophobicContact CG2-CD2 3.62Å; L229-L252 HydrophobicContact CD2-CD1 3.73Å; L229-L252 HydrophobicContact CD2-CG 4.13Å; N249-L252 HydrophobicContact CB-CB 4.26Å; N249-L252 HydrophobicContact CB-CD1 4.23Å; N249-L252 HydrophobicContact CB-CD2 4.47Å; N249-L252 WeakPolarHBondContact O-CB 3.44Å; N249-L252 PolarHBondContact O-N 3.17Å; N249-L252 VanDerWaalsContact O-N 3.1Å; H250-L252 PolarHBondContact O-N 3.22Å; L252-T257 WeakPolarHBondContact O-CG2 3.24Å; L252-T257 PolarHBondContact O-OG1 3.32Å; L252-L275 PolarHBondContact N-O 3.42Å
253	I	98.9	Very high	98.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-97.8	99.4	169.2	-54.1	-57.7	0	0	0	108.2	I186 L233 L241 H251 T257 I258 L267 L275 V276 D277	I186-I253 HydrophobicContact CD1-CD1 4.05Å; L233-I253 HydrophobicContact CD2-CD1 4.21Å; L241-I253 HydrophobicContact CD1-CG1 4.08Å; L241-I253 HydrophobicContact CD2-CD1 4.35Å; L241-I253 HydrophobicContact CD2-CG1 4.03Å; H251-I253 PolarHBondContact O-N 3.29Å; I253-T257 WeakPolarHBondContact CA-OG1 3.26Å; I253-I258 HydrophobicContact CG2-CD1 4.07Å; I253-I258 HydrophobicContact CG2-CG1 3.62Å; I253-L267 HydrophobicContact CG2-CD2 4.18Å; I253-L275 PolarHBondContact N-O 3.24Å; I253-V276 HydrophobicContact CB-CB 4.47Å; I253-V276 HydrophobicContact CB-CG1 4.32Å; I253-V276 HydrophobicContact CB-CG2 4.11Å; I253-V276 HydrophobicContact CG1-CG2 4.38Å; I253-V276 HydrophobicContact CG2-CG1 4.29Å; I253-V276 WeakPolarHBondContact O-CA 3.48Å; I253-D277 PolarHBondContact O-N 3Å
254	N	98.8	Very high	98.3	Very high	48 Å²	48	65.3 Å²	65.3	26%	0.257	31%	0.311	S	S	.	.			trans	-124.6	-177.4	179.2	57.1	57.6	0	0	0	111.4	H251 F256 T257 I258 D277	H251-N254 HydrophobicContact CB-CB 4.44Å; H251-N254 WeakPolarHBondContact O-CB 3.46Å; H251-N254 PolarHBondContact O-ND2 3.06Å; N254-F256 PolarHBondContact O-N 2.98Å; N254-F256 WeakPolarHBondContact OD1-CA 3.28Å; N254-F256 WeakPolarHBondContact OD1-CB 3.35Å; N254-F256 PolarHBondContact OD1-N 3.21Å; N254-T257 PolarHBondContact N-OG1 3.43Å; N254-T257 PolarHBondContact O-N 3.08Å; N254-T257 PolarHBondContact O-OG1 2.76Å; N254-T257 PolarHBondContact OD1-N 2.94Å; N254-T257 PolarHBondContact OD1-OG1 2.71Å; N254-I258 WeakPolarHBondContact O-CB 3.36Å; N254-I258 VanDerWaalsContact O-CG1 3.23Å; N254-I258 WeakPolarHBondContact O-CG1 3.47Å; N254-I258 PolarHBondContact O-N 2.91Å; N254-D277 HydrophobicContact CB-CB 4.41Å
255	D	98.6	Very high	98.3	Very high	67 Å²	67	62 Å²	62	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-53.2	-37.7	179.6	179.1	68.8	0	0	0	113.5	K259 A280	D255-K259 WeakPolarHBondContact O-CD 3.35Å; D255-K259 WeakPolarHBondContact O-CG 3.14Å; D255-K259 IonicContact OD1-NZ 3.97Å; D255-K259 WeakPolarHBondContact OD2-CE 3.44Å; D255-K259 IonicContact OD2-NZ 2.72Å; D255-K259 PolarHBondContact OD2-NZ 3.36Å; D255-A280 HydrophobicContact CB-CB 4.05Å
256	F	98.8	Very high	98.3	Very high	138 Å²	138	60.6 Å²	60.6	61%	0.605	29%	0.286	S	S	*	.	H	α-helix	trans	-72.3	-48.2	179.6	175.9	-102.5	0	0	0	112.1	N254 K259 Q260	N254-F256 PolarHBondContact O-N 2.98Å; N254-F256 WeakPolarHBondContact OD1-CA 3.28Å; N254-F256 WeakPolarHBondContact OD1-CB 3.35Å; N254-F256 PolarHBondContact OD1-N 3.21Å; F256-K259 WeakPolarHBondContact O-CB 3.46Å; F256-K259 PolarHBondContact O-N 3.21Å; F256-Q260 VanDerWaalsContact CZ-NE2 3.35Å
257	T	98.8	Very high	98.5	Very high	10 Å²	10	58.5 Å²	58.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-71.9	-31.8	-178.4	54.7	0	0	0	0	112.2	L229 L233 L252 I253 N254 K259 Q260 M261	L229-T257 HydrophobicContact CD2-CG2 3.95Å; L233-T257 HydrophobicContact CD1-CG2 4.48Å; L233-T257 WeakPolarHBondContact CD1-O 3.32Å; L252-T257 WeakPolarHBondContact O-CG2 3.24Å; L252-T257 PolarHBondContact O-OG1 3.32Å; I253-T257 WeakPolarHBondContact CA-OG1 3.26Å; N254-T257 PolarHBondContact N-OG1 3.43Å; N254-T257 PolarHBondContact O-N 3.08Å; N254-T257 PolarHBondContact O-OG1 2.76Å; N254-T257 PolarHBondContact OD1-N 2.94Å; N254-T257 PolarHBondContact OD1-OG1 2.71Å; T257-K259 PolarHBondContact O-N 2.83Å; T257-Q260 WeakPolarHBondContact O-CB 3.3Å; T257-Q260 PolarHBondContact O-N 3.4Å; T257-M261 PolarHBondContact O-N 2.92Å
258	I	98.8	Very high	98.7	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-36.5	173.8	-73.3	172.7	0	0	0	111	I253 N254 Q260 M261 A280 A284 R289 I290	I253-I258 HydrophobicContact CG2-CD1 4.07Å; I253-I258 HydrophobicContact CG2-CG1 3.62Å; N254-I258 WeakPolarHBondContact O-CB 3.36Å; N254-I258 VanDerWaalsContact O-CG1 3.23Å; N254-I258 WeakPolarHBondContact O-CG1 3.47Å; N254-I258 PolarHBondContact O-N 2.91Å; I258-Q260 PolarHBondContact O-N 2.93Å; I258-M261 HydrophobicContact CG1-SD 4.4Å; I258-M261 WeakPolarHBondContact O-CB 3.35Å; I258-M261 PolarHBondContact O-N 3.47Å; I258-M261 VanDerWaalsContact O-N 3.1Å; I258-A280 HydrophobicContact CD1-CB 3.85Å; I258-A284 HydrophobicContact CD1-CB 4.37Å; I258-A284 HydrophobicContact CG2-CB 3.64Å; I258-R289 VanDerWaalsContact CG2-NH1 3.33Å; I258-I290 HydrophobicContact CD1-CD1 4.45Å; I258-I290 HydrophobicContact CG1-CD1 4.34Å; I258-I290 HydrophobicContact CG2-CD1 4.09Å; I258-I290 HydrophobicContact CG2-CG1 4.4Å
259	K	98.6	Very high	98.7	Very high	126 Å²	126	43.6 Å²	43.6	55%	0.548	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.9	176.4	-69.6	163.7	-179.3	164.9	0	113.4	D255 F256 T257	D255-K259 WeakPolarHBondContact O-CD 3.35Å; D255-K259 WeakPolarHBondContact O-CG 3.14Å; D255-K259 IonicContact OD1-NZ 3.97Å; D255-K259 WeakPolarHBondContact OD2-CE 3.44Å; D255-K259 IonicContact OD2-NZ 2.72Å; D255-K259 PolarHBondContact OD2-NZ 3.36Å; F256-K259 WeakPolarHBondContact O-CB 3.46Å; F256-K259 PolarHBondContact O-N 3.21Å; T257-K259 PolarHBondContact O-N 2.83Å
260	Q	98.7	Very high	98.7	Very high	40 Å²	40	43.4 Å²	43.4	19%	0.187	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.2	175.7	-54.9	-179.5	-4.9	0	0	112.7	L233 F256 T257 I258	L233-Q260 CarbonylContact C-O 3.55Å; L233-Q260 HydrophobicContact CB-CB 4.26Å; L233-Q260 HydrophobicContact CD1-CB 4.24Å; F256-Q260 VanDerWaalsContact CZ-NE2 3.35Å; T257-Q260 WeakPolarHBondContact O-CB 3.3Å; T257-Q260 PolarHBondContact O-N 3.4Å; I258-Q260 PolarHBondContact O-N 2.93Å
261	M	98.8	Very high	98.7	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.079	18%	0.184	C	C	.	.	S	Bend	trans	-68.9	152.3	175.3	-63	179.6	67.8	0	0	110.6	L233 V239 T257 I258 A265 L267 I290	L233-M261 HydrophobicContact CB-CG 4.21Å; L233-M261 HydrophobicContact CD2-CG 3.94Å; L233-M261 HydrophobicContact CG-CG 4.45Å; V239-M261 HydrophobicContact CB-CE 4.03Å; V239-M261 HydrophobicContact CG2-CE 3.83Å; T257-M261 PolarHBondContact O-N 2.92Å; I258-M261 HydrophobicContact CG1-SD 4.4Å; I258-M261 WeakPolarHBondContact O-CB 3.35Å; I258-M261 PolarHBondContact O-N 3.47Å; I258-M261 VanDerWaalsContact O-N 3.1Å; M261-A265 HydrophobicContact CE-CB 4.12Å; M261-L267 HydrophobicContact CE-CB 4.47Å; M261-L267 HydrophobicContact CE-CD1 4.47Å; M261-I290 HydrophobicContact CE-CD1 4.29Å; M261-I290 HydrophobicContact CE-CG1 4.48Å; M261-I290 HydrophobicContact SD-CD1 3.99Å; M261-I290 HydrophobicContact SD-CG1 4.45Å
262	R	98.6	Very high	98.7	Very high	96 Å²	96	38.1 Å²	38.1	36%	0.362	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-58.2	142.8	171.5	-69	-171.9	172.3	178.3	0.6	111.2	Y234 Q235 S236 D237 G264 A265	Y234-R262 VanDerWaalsContact O-CG 3.27Å; Y234-R262 WeakPolarHBondContact O-CG 3.49Å; Y234-R262 PolarHBondContact O-NE 2.9Å; Q235-R262 PolarHBondContact O-NH1 2.81Å; Q235-R262 PolarHBondContact O-NH2 2.87Å; S236-R262 WeakPolarHBondContact O-CD 3.28Å; D237-R262 WeakPolarHBondContact OD1-CD 3.37Å; D237-R262 IonicContact OD1-CZ 3.86Å; D237-R262 IonicContact OD1-NE 3.37Å; D237-R262 IonicContact OD1-NH1 3.72Å; D237-R262 PolarHBondContact OD1-NH1 2.82Å; D237-R262 IonicContact OD2-NH1 2.81Å; D237-R262 PolarHBondContact OD2-NH1 3.03Å; R262-G264 PolarHBondContact O-N 2.73Å; R262-A265 HydrophobicContact CB-CB 4.25Å; R262-A265 VanDerWaalsContact O-CB 3.22Å; R262-A265 WeakPolarHBondContact O-CB 3.25Å; R262-A265 PolarHBondContact O-N 2.95Å
263	Q	98.5	Very high	98.7	Very high	145 Å²	145	36.9 Å²	36.9	68%	0.678	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	123.5	173.1	-177.3	65.5	31.4	0	0	110.1	A265 G288	Q263-A265 VanDerWaalsContact C-N 3.33Å; Q263-G288 PolarHBondContact NE2-O 2.85Å
264	G	97.9	Very high	98.7	Very high	13 Å²	13	37.6 Å²	37.6	13%	0.134	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	23.2	-179.7	0	0	0	0	0	114.1	R262 R289 R291	R262-G264 PolarHBondContact O-N 2.73Å; G264-R289 WeakPolarHBondContact CA-O 3.46Å; G264-R289 PolarHBondContact N-O 3.25Å; G264-R291 WeakPolarHBondContact O-CB 3.3Å; G264-R291 PolarHBondContact O-NE 3.38Å
265	A	98.8	Very high	98.7	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	161.9	169.8	0	0	0	0	0	112.1	D237 M261 R262 Q263 I290 R291	D237-A265 CarbonylContact O-C 3.6Å; D237-A265 WeakPolarHBondContact O-CA 3.45Å; D237-A265 WeakPolarHBondContact O-CB 3.24Å; M261-A265 HydrophobicContact CE-CB 4.12Å; R262-A265 HydrophobicContact CB-CB 4.25Å; R262-A265 VanDerWaalsContact O-CB 3.22Å; R262-A265 WeakPolarHBondContact O-CB 3.25Å; R262-A265 PolarHBondContact O-N 2.95Å; Q263-A265 VanDerWaalsContact C-N 3.33Å; A265-I290 WeakPolarHBondContact O-CA 3.39Å; A265-R291 PolarHBondContact O-N 2.96Å
266	F	98.9	Very high	98.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	151.5	170.6	-70.4	-57	0	0	0	111.9	L145 Y146 D237 C238 V239 R291 G292	L145-F266 HydrophobicContact CB-CD1 3.83Å; L145-F266 HydrophobicContact CB-CD2 4.34Å; L145-F266 HydrophobicContact CB-CE1 3.89Å; L145-F266 HydrophobicContact CB-CE2 4.39Å; L145-F266 HydrophobicContact CB-CG 4.05Å; L145-F266 HydrophobicContact CB-CZ 4.15Å; L145-F266 HydrophobicContact CD1-CB 3.93Å; L145-F266 HydrophobicContact CD1-CD1 4.04Å; L145-F266 HydrophobicContact CD1-CG 4.13Å; L145-F266 HydrophobicContact CD2-CD1 4.31Å; L145-F266 HydrophobicContact CD2-CE1 4.49Å; L145-F266 HydrophobicContact CG-CD1 4.29Å; L145-F266 WeakPolarHBondContact O-CZ 3.46Å; Y146-F266 HydrophobicContact CD1-CE2 4.17Å; Y146-F266 HydrophobicContact CD2-CD2 4.03Å; Y146-F266 HydrophobicContact CD2-CE2 4.09Å; Y146-F266 HydrophobicContact CE1-CD2 4.33Å; Y146-F266 HydrophobicContact CE1-CE2 4.12Å; Y146-F266 AromaticContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CD2 3.67Å; Y146-F266 HydrophobicContact CE2-CE2 4.08Å; Y146-F266 HydrophobicContact CG-CE2 4.14Å; Y146-F266 AromaticContact CZ-CD2 3.83Å; D237-F266 PolarHBondContact O-N 3.34Å; C238-F266 WeakPolarHBondContact CA-O 3.47Å; C238-F266 HydrophobicContact CB-CB 4.11Å; V239-F266 PolarHBondContact N-O 3.36Å; F266-R291 HydrophobicContact CD1-CB 4.21Å; F266-R291 HydrophobicContact CD1-CG 4.46Å; F266-R291 HydrophobicContact CE1-CB 3.96Å; F266-R291 HydrophobicContact CE1-CG 3.71Å; F266-R291 HydrophobicContact CZ-CG 4.05Å; F266-G292 WeakPolarHBondContact CA-O 3.32Å
267	L	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.7	173.7	-177.8	65.2	0	0	0	110.9	V239 I253 M261 V276 L281 I290 G292 A293 A294	V239-L267 HydrophobicContact CB-CD1 4.13Å; V239-L267 HydrophobicContact CG1-CD1 4.07Å; V239-L267 CarbonylContact O-C 3.53Å; V239-L267 WeakPolarHBondContact O-CA 3.11Å; I253-L267 HydrophobicContact CG2-CD2 4.18Å; M261-L267 HydrophobicContact CE-CB 4.47Å; M261-L267 HydrophobicContact CE-CD1 4.47Å; L267-V276 HydrophobicContact CD2-CG1 4.39Å; L267-L281 HydrophobicContact CD2-CD1 3.85Å; L267-L281 HydrophobicContact CD2-CD2 4.29Å; L267-I290 HydrophobicContact CD2-CD1 4.46Å; L267-G292 PolarHBondContact N-O 2.83Å; L267-A293 HydrophobicContact CB-CB 4.3Å; L267-A293 CarbonylContact O-C 3.47Å; L267-A293 WeakPolarHBondContact O-CA 3.43Å; L267-A294 PolarHBondContact O-N 3.28Å
268	V	99	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.1	175.1	-179.3	0	0	0	0	110.2	T138 H141 V142 L145 V239 S240 L241 T270 A294	T138-V268 HydrophobicContact CG2-CG1 4.12Å; H141-V268 HydrophobicContact CB-CG1 3.97Å; V142-V268 HydrophobicContact CG2-CG2 3.89Å; L145-V268 HydrophobicContact CD1-CG2 3.69Å; V239-V268 PolarHBondContact O-N 3.4Å; S240-V268 VanDerWaalsContact CA-O 3.3Å; S240-V268 WeakPolarHBondContact CA-O 3.4Å; L241-V268 PolarHBondContact N-O 2.65Å; V268-T270 HydrophobicContact CG1-CG2 4.29Å; V268-A294 CarbonylContact C-O 3.38Å; V268-A294 VanDerWaalsContact CA-O 3.29Å; V268-A294 WeakPolarHBondContact CA-O 3.48Å; V268-A294 HydrophobicContact CG2-CB 4.33Å
269	N	98.9	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.2	174.3	-170.5	8.4	0	0	0	111.3	L241 A271 R272 V276 A294 M295 D296 V297	L241-N269 HydrophobicContact CD1-CB 4.16Å; N269-A271 PolarHBondContact OD1-N 2.79Å; N269-R272 PolarHBondContact ND2-O 3.07Å; N269-R272 PolarHBondContact OD1-N 3.49Å; N269-V276 HydrophobicContact CB-CG2 4.49Å; N269-A294 PolarHBondContact N-O 3.23Å; N269-M295 HydrophobicContact CB-CE 3.61Å; N269-M295 HydrophobicContact CB-SD 3.65Å; N269-D296 PolarHBondContact O-N 2.95Å; N269-V297 HydrophobicContact CB-CG2 4.4Å
270	T	98.9	Very high	98.7	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.067	14%	0.14	C	C	.	.			trans	-117.7	17.7	170.6	54.6	0	0	0	0	111.3	T138 V268 D296 A323	T138-T270 PolarHBondContact OG1-OG1 2.93Å; V268-T270 HydrophobicContact CG1-CG2 4.29Å; T270-D296 HydrophobicContact CG2-CB 3.94Å; T270-A323 HydrophobicContact CG2-CB 4.34Å
271	A	98.7	Very high	98.7	Very high	12 Å²	12	26.7 Å²	26.7	10%	0.099	13%	0.131	C	C	.	.	S	Bend	trans	-99.9	-87.5	-177.6	0	0	0	0	0	111.4	L241 C243 N269 L275	L241-A271 HydrophobicContact CB-CB 4.28Å; L241-A271 WeakPolarHBondContact O-CB 3.44Å; C243-A271 WeakPolarHBondContact O-CB 3.44Å; N269-A271 PolarHBondContact OD1-N 2.79Å; A271-L275 HydrophobicContact CB-CD1 3.67Å
272	R	98.8	Very high	98.7	Very high	36 Å²	36	26.1 Å²	26.1	14%	0.136	13%	0.129	C	C	.	.			trans	-141.9	143.3	177.8	-69.1	-64.6	179.5	-106.1	17.1	111.2	D109 L245 N269 G274 L275 V297	D109-R272 IonicContact OD1-CZ 3.83Å; D109-R272 IonicContact OD1-NE 2.78Å; D109-R272 PolarHBondContact OD1-NE 2.96Å; D109-R272 IonicContact OD1-NH2 2.71Å; D109-R272 WeakPolarHBondContact OD2-CD 3.44Å; D109-R272 IonicContact OD2-NE 2.69Å; D109-R272 PolarHBondContact OD2-NE 2.77Å; L245-R272 HydrophobicContact CB-CB 3.86Å; L245-R272 HydrophobicContact CB-CG 3.87Å; L245-R272 HydrophobicContact CD2-CB 4.42Å; N269-R272 PolarHBondContact ND2-O 3.07Å; N269-R272 PolarHBondContact OD1-N 3.49Å; R272-G274 PolarHBondContact O-N 3.06Å; R272-L275 HydrophobicContact CB-CD1 4.19Å; R272-L275 HydrophobicContact CB-CG 4.2Å; R272-L275 WeakPolarHBondContact O-CB 3.44Å; R272-L275 PolarHBondContact O-N 3.5Å; R272-V297 VanDerWaalsContact C-CG2 3.44Å
273	G	98.4	Very high	98.7	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-58.3	-48.2	-178.9	0	0	0	0	0	113.4	L275 V276 H298	G273-L275 PolarHBondContact O-N 3.07Å; G273-V276 PolarHBondContact O-N 3.09Å; G273-H298 VanDerWaalsContact CA-C 3.4Å; G273-H298 WeakPolarHBondContact CA-O 3.48Å
274	G	98.4	Very high	98.8	Very high	14 Å²	14	18.9 Å²	18.9	14%	0.144	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.9	-2.2	-179.1	0	0	0	0	0	116.2	H251 R272 V276	H251-G274 PolarHBondContact N-O 3Å; R272-G274 PolarHBondContact O-N 3.06Å; G274-V276 VanDerWaalsContact C-N 3.29Å
275	L	98.9	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-76.1	-18.8	171.4	-65.7	171.1	0	0	0	112.7	L241 L245 N249 H251 L252 I253 A271 R272 G273	L241-L275 HydrophobicContact CB-CD1 4.38Å; L241-L275 HydrophobicContact CD1-CB 3.92Å; L241-L275 HydrophobicContact CD1-CD1 4.35Å; L245-L275 HydrophobicContact CB-CD2 4.42Å; L245-L275 HydrophobicContact CD1-CD2 3.85Å; L245-L275 HydrophobicContact CD1-CG 4.29Å; N249-L275 HydrophobicContact CB-CD2 4.36Å; N249-L275 WeakPolarHBondContact O-CD2 3.36Å; H251-L275 CarbonylContact C-O 3.58Å; L252-L275 PolarHBondContact N-O 3.42Å; I253-L275 PolarHBondContact N-O 3.24Å; A271-L275 HydrophobicContact CB-CD1 3.67Å; R272-L275 HydrophobicContact CB-CD1 4.19Å; R272-L275 HydrophobicContact CB-CG 4.2Å; R272-L275 WeakPolarHBondContact O-CB 3.44Å; R272-L275 PolarHBondContact O-N 3.5Å; G273-L275 PolarHBondContact O-N 3.07Å
276	V	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-121.8	130.9	-175.9	-176.2	0	0	0	0	109.2	L241 I253 L267 N269 G273 G274 E278 L281 M295 E299	L241-V276 HydrophobicContact CD1-CG2 3.49Å; L241-V276 VanDerWaalsContact CD1-CG2 3.49Å; I253-V276 HydrophobicContact CB-CB 4.47Å; I253-V276 HydrophobicContact CB-CG1 4.32Å; I253-V276 HydrophobicContact CB-CG2 4.11Å; I253-V276 HydrophobicContact CG1-CG2 4.38Å; I253-V276 HydrophobicContact CG2-CG1 4.29Å; I253-V276 WeakPolarHBondContact O-CA 3.48Å; L267-V276 HydrophobicContact CD2-CG1 4.39Å; N269-V276 HydrophobicContact CB-CG2 4.49Å; G273-V276 PolarHBondContact O-N 3.09Å; G274-V276 VanDerWaalsContact C-N 3.29Å; V276-E278 PolarHBondContact O-N 2.89Å; V276-L281 HydrophobicContact CG1-CB 4.11Å; V276-L281 HydrophobicContact CG1-CD2 4.06Å; V276-M295 HydrophobicContact CB-CE 4.28Å; V276-M295 HydrophobicContact CG1-CE 4.47Å; V276-M295 HydrophobicContact CG2-CE 4.16Å; V276-E299 WeakPolarHBondContact O-CG 3.47Å
277	D	98.9	Very high	98.8	Very high	35 Å²	35	28 Å²	28	19%	0.187	14%	0.137	C	C	.	.			trans	-75.2	106.1	164.6	176.4	-14.9	0	0	0	108.6	H251 I253 N254 K279 A280 L281	H251-D277 HydrophobicContact CB-CB 4.33Å; I253-D277 PolarHBondContact O-N 3Å; N254-D277 HydrophobicContact CB-CB 4.41Å; D277-K279 PolarHBondContact O-N 3.04Å; D277-K279 WeakPolarHBondContact OD1-CA 3.38Å; D277-K279 WeakPolarHBondContact OD1-CB 3.36Å; D277-K279 PolarHBondContact OD1-N 2.81Å; D277-A280 HydrophobicContact CB-CB 3.96Å; D277-A280 PolarHBondContact O-N 3.05Å; D277-A280 PolarHBondContact OD1-N 3.42Å; D277-A280 VanDerWaalsContact OD1-N 3.11Å; D277-L281 PolarHBondContact O-N 3.32Å
278	E	98.8	Very high	98.7	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-26.6	-176.4	-74.8	-175.8	-176	0	0	113.2	V276 A282 H298 E299 P309 L310	V276-E278 PolarHBondContact O-N 2.89Å; E278-A282 VanDerWaalsContact O-CB 3.28Å; E278-A282 WeakPolarHBondContact O-CB 3.45Å; E278-A282 PolarHBondContact O-N 3.4Å; E278-H298 VanDerWaalsContact OE1-CA 3.28Å; E278-H298 WeakPolarHBondContact OE1-CA 3.43Å; E278-H298 WeakPolarHBondContact OE1-CB 3.39Å; E278-H298 IonicContact OE1-CD2 3.36Å; E278-E299 HydrophobicContact CG-CB 4.46Å; E278-E299 HydrophobicContact CG-CG 4.02Å; E278-E299 PolarHBondContact N-OE1 3.45Å; E278-E299 PolarHBondContact OE1-N 2.98Å; E278-P309 HydrophobicContact CB-CB 4.02Å; E278-P309 HydrophobicContact CB-CG 4.05Å; E278-L310 HydrophobicContact CB-CD1 4.33Å; E278-L310 HydrophobicContact CB-CG 4.15Å; E278-L310 HydrophobicContact CG-CD1 3.94Å; E278-L310 HydrophobicContact CG-CG 4.32Å
279	K	98.8	Very high	98.7	Very high	153 Å²	153	31.7 Å²	31.7	67%	0.665	16%	0.161	S	C	*	.	H	α-helix	trans	-70.8	-44.3	176	-64.1	172.6	-177.9	169.7	0	110.2	D277 L281 A282 Q283 P309	D277-K279 PolarHBondContact O-N 3.04Å; D277-K279 WeakPolarHBondContact OD1-CA 3.38Å; D277-K279 WeakPolarHBondContact OD1-CB 3.36Å; D277-K279 PolarHBondContact OD1-N 2.81Å; K279-L281 VanDerWaalsContact C-N 3.34Å; K279-A282 PolarHBondContact O-N 3.31Å; K279-Q283 PolarHBondContact O-N 3.25Å; K279-Q283 VanDerWaalsContact O-N 3.11Å; K279-P309 HydrophobicContact CG-CB 3.8Å; K279-P309 HydrophobicContact CG-CG 3.86Å
280	A	98.8	Very high	98.7	Very high	6 Å²	6	31.8 Å²	31.8	5%	0.05	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-41.9	176.2	0	0	0	0	0	111.4	D255 I258 D277 Q283 A284	D255-A280 HydrophobicContact CB-CB 4.05Å; I258-A280 HydrophobicContact CD1-CB 3.85Å; D277-A280 HydrophobicContact CB-CB 3.96Å; D277-A280 PolarHBondContact O-N 3.05Å; D277-A280 PolarHBondContact OD1-N 3.42Å; D277-A280 VanDerWaalsContact OD1-N 3.11Å; A280-Q283 PolarHBondContact O-N 3.36Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.05Å
281	L	98.9	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-47.5	174.8	178	58.5	0	0	0	112	L267 V276 D277 K279 Q283 A284 L285 I290 A293 M295 L310	L267-L281 HydrophobicContact CD2-CD1 3.85Å; L267-L281 HydrophobicContact CD2-CD2 4.29Å; V276-L281 HydrophobicContact CG1-CB 4.11Å; V276-L281 HydrophobicContact CG1-CD2 4.06Å; D277-L281 PolarHBondContact O-N 3.32Å; K279-L281 VanDerWaalsContact C-N 3.34Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 3.5Å; L281-A284 PolarHBondContact O-N 3.01Å; L281-A284 VanDerWaalsContact O-N 3.14Å; L281-L285 HydrophobicContact CD1-CD1 4.09Å; L281-L285 HydrophobicContact CD1-CG 4.14Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.5Å; L281-L285 PolarHBondContact O-N 3.12Å; L281-I290 HydrophobicContact CD1-CD1 3.69Å; L281-A293 HydrophobicContact CD1-CB 4.09Å; L281-A293 HydrophobicContact CD2-CB 4.2Å; L281-M295 HydrophobicContact CD2-CE 4.25Å; L281-M295 HydrophobicContact CD2-CG 4.45Å; L281-M295 HydrophobicContact CD2-SD 3.99Å; L281-L310 HydrophobicContact CD2-CD2 4.21Å; L281-L310 HydrophobicContact CG-CD2 4.23Å
282	A	98.8	Very high	98.7	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-44.7	178.7	0	0	0	0	0	111.8	E278 K279 L285 K286 P309 L310 A313	E278-A282 VanDerWaalsContact O-CB 3.28Å; E278-A282 WeakPolarHBondContact O-CB 3.45Å; E278-A282 PolarHBondContact O-N 3.4Å; K279-A282 PolarHBondContact O-N 3.31Å; A282-L285 PolarHBondContact O-N 3.25Å; A282-K286 WeakPolarHBondContact O-CG 3.24Å; A282-K286 PolarHBondContact O-N 3.27Å; A282-K286 VanDerWaalsContact O-N 3.11Å; A282-P309 WeakPolarHBondContact CB-O 3.28Å; A282-L310 HydrophobicContact CB-CD2 4.03Å; A282-A313 HydrophobicContact CB-CB 4.38Å
283	Q	98.8	Very high	98.7	Very high	88 Å²	88	34 Å²	34	41%	0.411	17%	0.166	S	C	.	.	H	α-helix	trans	-66.3	-42	178	-171.6	61.3	24.2	0	0	111.7	K279 A280 L281 L285 K286 E287	K279-Q283 PolarHBondContact O-N 3.25Å; K279-Q283 VanDerWaalsContact O-N 3.11Å; A280-Q283 PolarHBondContact O-N 3.36Å; L281-Q283 VanDerWaalsContact C-N 3.29Å; L281-Q283 PolarHBondContact O-N 3.5Å; Q283-L285 VanDerWaalsContact C-N 3.31Å; Q283-L285 PolarHBondContact O-N 3.17Å; Q283-K286 PolarHBondContact O-N 3.21Å; Q283-E287 VanDerWaalsContact CG-OE1 3.3Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.32Å; Q283-E287 PolarHBondContact NE2-OE1 2.99Å; Q283-E287 WeakPolarHBondContact O-CB 3.49Å; Q283-E287 WeakPolarHBondContact O-CG 3.35Å; Q283-E287 PolarHBondContact O-N 3.38Å
284	A	98.8	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-35.5	178.8	0	0	0	0	0	113.4	I258 A280 L281 G288 R289 I290	I258-A284 HydrophobicContact CD1-CB 4.37Å; I258-A284 HydrophobicContact CG2-CB 3.64Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.05Å; L281-A284 PolarHBondContact O-N 3.01Å; L281-A284 VanDerWaalsContact O-N 3.14Å; A284-G288 PolarHBondContact O-N 2.84Å; A284-R289 HydrophobicContact CB-CB 4.34Å; A284-R289 PolarHBondContact O-N 3.07Å; A284-I290 HydrophobicContact CB-CB 4.34Å; A284-I290 HydrophobicContact CB-CD1 4.07Å; A284-I290 HydrophobicContact CB-CG1 4.1Å; A284-I290 PolarHBondContact O-N 2.88Å; A284-I290 VanDerWaalsContact O-N 3.16Å
285	L	98.8	Very high	98.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-45.6	173.6	-72	166.3	0	0	0	111.3	L281 A282 Q283 E287 G288 I290 A293 A313 P314 L316	L281-L285 HydrophobicContact CD1-CD1 4.09Å; L281-L285 HydrophobicContact CD1-CG 4.14Å; L281-L285 HydrophobicContact CG-CD1 4Å; L281-L285 WeakPolarHBondContact O-CG 3.5Å; L281-L285 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 3.25Å; Q283-L285 VanDerWaalsContact C-N 3.31Å; Q283-L285 PolarHBondContact O-N 3.17Å; L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 3.14Å; L285-G288 PolarHBondContact O-N 2.78Å; L285-G288 VanDerWaalsContact O-N 3.09Å; L285-I290 HydrophobicContact CD2-CB 4.2Å; L285-I290 HydrophobicContact CD2-CG2 3.71Å; L285-I290 HydrophobicContact CG-CG2 4.46Å; L285-A293 HydrophobicContact CD1-CB 4.34Å; L285-A293 HydrophobicContact CD2-CB 4.3Å; L285-A313 HydrophobicContact CD1-CB 3.95Å; L285-P314 HydrophobicContact CB-CG 4.3Å; L285-L316 HydrophobicContact CD1-CD1 4.43Å
286	K	98.7	Very high	98.7	Very high	108 Å²	108	33.2 Å²	33.2	47%	0.47	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-36.9	177.5	-72.6	172.9	-177.6	178.7	0	112.7	A282 Q283 G288 D312	A282-K286 WeakPolarHBondContact O-CG 3.24Å; A282-K286 PolarHBondContact O-N 3.27Å; A282-K286 VanDerWaalsContact O-N 3.11Å; Q283-K286 PolarHBondContact O-N 3.21Å; K286-G288 VanDerWaalsContact C-N 3.31Å; K286-D312 WeakPolarHBondContact CE-O 3.46Å
287	E	98.3	Very high	98.7	Very high	101 Å²	101	33.3 Å²	33.3	47%	0.472	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.8	176.9	-69.6	177.6	-159.8	0	0	113.7	Q283 L285 R289	Q283-E287 VanDerWaalsContact CG-OE1 3.3Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.32Å; Q283-E287 PolarHBondContact NE2-OE1 2.99Å; Q283-E287 WeakPolarHBondContact O-CB 3.49Å; Q283-E287 WeakPolarHBondContact O-CG 3.35Å; Q283-E287 PolarHBondContact O-N 3.38Å; L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 3.14Å; E287-R289 PolarHBondContact O-N 2.85Å; E287-R289 IonicContact OE1-NH2 2.74Å; E287-R289 PolarHBondContact OE1-NH2 2.76Å; E287-R289 IonicContact OE2-CZ 2.64Å; E287-R289 IonicContact OE2-NE 3.59Å; E287-R289 PolarHBondContact OE2-NE 2.96Å; E287-R289 IonicContact OE2-NH2 3.1Å; E287-R289 PolarHBondContact OE2-NH2 3.45Å
288	G	97.8	Very high	98.7	Very high	34 Å²	34	32 Å²	32	35%	0.351	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	13.2	-176.2	0	0	0	0	0	114.6	Q263 A284 L285 K286 I290	Q263-G288 PolarHBondContact NE2-O 2.85Å; A284-G288 PolarHBondContact O-N 2.84Å; L285-G288 PolarHBondContact O-N 2.78Å; L285-G288 VanDerWaalsContact O-N 3.09Å; K286-G288 VanDerWaalsContact C-N 3.31Å; G288-I290 VanDerWaalsContact C-N 3.33Å
289	R	98.4	Very high	98.7	Very high	43 Å²	43	35.3 Å²	35.3	16%	0.162	17%	0.166	C	C	.	.	S	Bend	trans	-62.2	-43.2	169.7	-89.3	-174	-76.1	120.2	-9.7	110.8	I258 G264 A284 E287	I258-R289 VanDerWaalsContact CG2-NH1 3.33Å; G264-R289 WeakPolarHBondContact CA-O 3.46Å; G264-R289 PolarHBondContact N-O 3.25Å; A284-R289 HydrophobicContact CB-CB 4.34Å; A284-R289 PolarHBondContact O-N 3.07Å; E287-R289 PolarHBondContact O-N 2.85Å; E287-R289 IonicContact OE1-NH2 2.74Å; E287-R289 PolarHBondContact OE1-NH2 2.76Å; E287-R289 IonicContact OE2-CZ 2.64Å; E287-R289 IonicContact OE2-NE 3.59Å; E287-R289 PolarHBondContact OE2-NE 2.96Å; E287-R289 IonicContact OE2-NH2 3.1Å; E287-R289 PolarHBondContact OE2-NH2 3.45Å
290	I	98.8	Very high	98.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.1	166.5	-69.3	179.2	0	0	0	107.1	I258 M261 A265 L267 L281 A284 L285 G288 G292	I258-I290 HydrophobicContact CD1-CD1 4.45Å; I258-I290 HydrophobicContact CG1-CD1 4.34Å; I258-I290 HydrophobicContact CG2-CD1 4.09Å; I258-I290 HydrophobicContact CG2-CG1 4.4Å; M261-I290 HydrophobicContact CE-CD1 4.29Å; M261-I290 HydrophobicContact CE-CG1 4.48Å; M261-I290 HydrophobicContact SD-CD1 3.99Å; M261-I290 HydrophobicContact SD-CG1 4.45Å; A265-I290 WeakPolarHBondContact O-CA 3.39Å; L267-I290 HydrophobicContact CD2-CD1 4.46Å; L281-I290 HydrophobicContact CD1-CD1 3.69Å; A284-I290 HydrophobicContact CB-CB 4.34Å; A284-I290 HydrophobicContact CB-CD1 4.07Å; A284-I290 HydrophobicContact CB-CG1 4.1Å; A284-I290 PolarHBondContact O-N 2.88Å; A284-I290 VanDerWaalsContact O-N 3.16Å; L285-I290 HydrophobicContact CD2-CB 4.2Å; L285-I290 HydrophobicContact CD2-CG2 3.71Å; L285-I290 HydrophobicContact CG-CG2 4.46Å; G288-I290 VanDerWaalsContact C-N 3.33Å; I290-G292 VanDerWaalsContact C-N 3.32Å; I290-G292 VanDerWaalsContact CG2-O 3.27Å; I290-G292 WeakPolarHBondContact CG2-O 3.23Å
291	R	98.7	Very high	98.5	Very high	106 Å²	106	35.2 Å²	35.2	40%	0.4	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-27.3	-177.8	179.6	-170.2	-63.4	-106.7	1.8	112.4	G264 A265 F266 N315	G264-R291 WeakPolarHBondContact O-CB 3.3Å; G264-R291 PolarHBondContact O-NE 3.38Å; A265-R291 PolarHBondContact O-N 2.96Å; F266-R291 HydrophobicContact CD1-CB 4.21Å; F266-R291 HydrophobicContact CD1-CG 4.46Å; F266-R291 HydrophobicContact CE1-CB 3.96Å; F266-R291 HydrophobicContact CE1-CG 3.71Å; F266-R291 HydrophobicContact CZ-CG 4.05Å; R291-N315 VanDerWaalsContact O-CB 3.26Å; R291-N315 WeakPolarHBondContact O-CB 3.3Å
292	G	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	159	175.6	0	0	0	0	0	111.7	F266 L267 I290 N315	F266-G292 WeakPolarHBondContact CA-O 3.32Å; L267-G292 PolarHBondContact N-O 2.83Å; I290-G292 VanDerWaalsContact C-N 3.32Å; I290-G292 VanDerWaalsContact CG2-O 3.27Å; I290-G292 WeakPolarHBondContact CG2-O 3.23Å; G292-N315 CarbonylContact C-O 3.5Å; G292-N315 WeakPolarHBondContact CA-O 3.44Å
293	A	98.9	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.3	177.6	0	0	0	0	0	111.4	L267 L281 L285 N315 L316 I317	L267-A293 HydrophobicContact CB-CB 4.3Å; L267-A293 CarbonylContact O-C 3.47Å; L267-A293 WeakPolarHBondContact O-CA 3.43Å; L281-A293 HydrophobicContact CD1-CB 4.09Å; L281-A293 HydrophobicContact CD2-CB 4.2Å; L285-A293 HydrophobicContact CD1-CB 4.34Å; L285-A293 HydrophobicContact CD2-CB 4.3Å; A293-N315 PolarHBondContact N-O 3.43Å; A293-L316 HydrophobicContact CB-CD1 4.02Å; A293-L316 CarbonylContact O-C 3.58Å; A293-L316 WeakPolarHBondContact O-CA 3.36Å; A293-I317 PolarHBondContact O-N 3.27Å
294	A	98.9	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.4	171.8	0	0	0	0	0	110.1	H141 L145 L267 V268 N269 I317	H141-A294 HydrophobicContact CB-CB 3.72Å; L145-A294 HydrophobicContact CD1-CB 3.95Å; L145-A294 HydrophobicContact CD2-CB 4.28Å; L145-A294 HydrophobicContact CG-CB 4.12Å; L267-A294 PolarHBondContact O-N 3.28Å; V268-A294 CarbonylContact C-O 3.38Å; V268-A294 VanDerWaalsContact CA-O 3.29Å; V268-A294 WeakPolarHBondContact CA-O 3.48Å; V268-A294 HydrophobicContact CG2-CB 4.33Å; N269-A294 PolarHBondContact N-O 3.23Å; A294-I317 CarbonylContact C-O 3.56Å; A294-I317 VanDerWaalsContact CA-O 3.3Å; A294-I317 WeakPolarHBondContact CA-O 3.4Å; A294-I317 HydrophobicContact CB-CB 4.06Å; A294-I317 HydrophobicContact CB-CG2 4.43Å
295	M	98.9	Very high	98.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.2	-171.1	-54.4	-62.9	-71.3	0	0	109.4	N269 V276 L281 H298 L316 I317 C318 T319	N269-M295 HydrophobicContact CB-CE 3.61Å; N269-M295 HydrophobicContact CB-SD 3.65Å; V276-M295 HydrophobicContact CB-CE 4.28Å; V276-M295 HydrophobicContact CG1-CE 4.47Å; V276-M295 HydrophobicContact CG2-CE 4.16Å; L281-M295 HydrophobicContact CD2-CE 4.25Å; L281-M295 HydrophobicContact CD2-CG 4.45Å; L281-M295 HydrophobicContact CD2-SD 3.99Å; M295-H298 PolarHBondContact O-CE1 3.34Å; M295-L316 HydrophobicContact CG-CD1 3.93Å; M295-I317 PolarHBondContact N-O 3.36Å; M295-C318 CarbonylContact O-C 3.3Å; M295-C318 WeakPolarHBondContact O-CA 3.12Å; M295-T319 PolarHBondContact O-N 3.48Å
296	D	98.9	Very high	98.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	27%	0.266	C	S	.	.	S	Bend	trans	-85.9	-17.3	168	-172.7	64.9	0	0	0	111.6	N269 T270 T319 H321 T322 A323	N269-D296 PolarHBondContact O-N 2.95Å; T270-D296 HydrophobicContact CG2-CB 3.94Å; D296-T319 CarbonylContact C-O 3.51Å; D296-T319 WeakPolarHBondContact CA-O 3.37Å; D296-T319 WeakPolarHBondContact CA-OG1 3.39Å; D296-T319 WeakPolarHBondContact CB-OG1 3.4Å; D296-T319 VanDerWaalsContact OD1-CB 3.24Å; D296-T319 WeakPolarHBondContact OD1-CB 3.49Å; D296-T319 PolarHBondContact OD1-OG1 3Å; D296-H321 WeakPolarHBondContact O-CA 3.28Å; D296-H321 PolarHBondContact O-N 3.11Å; D296-H321 WeakPolarHBondContact OD2-CA 3.17Å; D296-T322 PolarHBondContact OD1-N 3.45Å; D296-T322 PolarHBondContact OD1-OG1 3.4Å; D296-T322 PolarHBondContact OD2-N 3.26Å; D296-T322 VanDerWaalsContact OD2-N 3.13Å; D296-A323 HydrophobicContact CB-CB 4.32Å; D296-A323 PolarHBondContact OD1-N 3.13Å; D296-A323 WeakPolarHBondContact OD2-CB 3.42Å; D296-A323 PolarHBondContact OD2-N 3.48Å
297	V	98.9	Very high	97.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.274	C	S	.	.			trans	-134.3	149.3	-174.6	-66.5	0	0	0	0	110.4	N269 R272 E301	N269-V297 HydrophobicContact CB-CG2 4.4Å; R272-V297 VanDerWaalsContact C-CG2 3.44Å; V297-E301 VanDerWaalsContact CA-OE1 3.23Å; V297-E301 WeakPolarHBondContact CA-OE1 3.33Å; V297-E301 WeakPolarHBondContact CB-OE1 3.33Å
298	H	98.8	Very high	97.8	Very high	7 Å²	7	49 Å²	49	3%	0.032	28%	0.278	C	S	.	.			trans	-138.9	154.2	-168.8	-56.2	83	0	0	0	110.8	G273 E278 M295 S300 E301 F303 C318	G273-H298 VanDerWaalsContact CA-C 3.4Å; G273-H298 WeakPolarHBondContact CA-O 3.48Å; E278-H298 VanDerWaalsContact OE1-CA 3.28Å; E278-H298 WeakPolarHBondContact OE1-CA 3.43Å; E278-H298 WeakPolarHBondContact OE1-CB 3.39Å; E278-H298 IonicContact OE1-CD2 3.36Å; M295-H298 PolarHBondContact O-CE1 3.34Å; H298-S300 PolarHBondContact O-N 3.11Å; H298-E301 HydrophobicContact CB-CG 4.16Å; H298-E301 PolarHBondContact N-OE1 2.94Å; H298-F303 HydrophobicContact CB-CB 4.25Å; H298-F303 HydrophobicContact CB-CD2 4.07Å; H298-F303 AromaticContact CD2-CD2 3.13Å; H298-F303 WeakPolarHBondContact CD2-CD2 3.34Å; H298-F303 AromaticContact CD2-CE2 3.53Å; H298-F303 AromaticContact CD2-CG 3.59Å; H298-F303 AromaticContact CE1-CG 3.67Å; H298-F303 AromaticContact CG-CD2 3.47Å; H298-F303 VanDerWaalsContact CG-CD2 3.47Å; H298-F303 AromaticContact CG-CG 3.7Å; H298-F303 WeakPolarHBondContact ND1-CB 3.35Å; H298-F303 AromaticContact ND1-CG 3.75Å; H298-F303 AromaticContact NE2-CD1 3.88Å; H298-F303 AromaticContact NE2-CD2 3.54Å; H298-F303 AromaticContact NE2-CE2 3.82Å; H298-F303 AromaticContact NE2-CG 3.56Å; H298-C318 PolarHBondContact NE2-SG 2.93Å
299	E	97.8	Very high	97.8	Very high	80 Å²	80	49.7 Å²	49.7	37%	0.374	28%	0.277	S	S	.	.	S	Bend	trans	-58.1	-35.8	179.5	-75.9	-168.3	-114.5	0	0	111.8	H251 V276 E278	H251-E299 IonicContact CE1-OE2 3.52Å; H251-E299 VanDerWaalsContact NE2-CD 3.28Å; H251-E299 IonicContact NE2-OE1 2.72Å; H251-E299 PolarHBondContact NE2-OE1 3.11Å; H251-E299 IonicContact NE2-OE2 3.38Å; H251-E299 PolarHBondContact NE2-OE2 3.33Å; V276-E299 WeakPolarHBondContact O-CG 3.47Å; E278-E299 HydrophobicContact CG-CB 4.46Å; E278-E299 HydrophobicContact CG-CG 4.02Å; E278-E299 PolarHBondContact N-OE1 3.45Å; E278-E299 PolarHBondContact OE1-N 2.98Å
300	S	96.8	Very high	97.8	Very high	90 Å²	90	47.8 Å²	47.8	63%	0.629	27%	0.27	S	S	*	.	S	Bend	trans	-122.8	120.2	174.4	-177.9	0	0	0	0	109.8	H298	H298-S300 PolarHBondContact O-N 3.11Å
301	E	96.6	Very high	97.6	Very high	68 Å²	68	53 Å²	53	32%	0.318	29%	0.292	S	S	.	.	S	Bend	trans	-116.9	141.4	176.7	-69.1	177.4	-169	0	0	110.2	H83 V297 H298 H321	H83-E301 IonicContact CD2-OE2 3.38Å; H83-E301 IonicContact NE2-OE2 3.52Å; V297-E301 VanDerWaalsContact CA-OE1 3.23Å; V297-E301 WeakPolarHBondContact CA-OE1 3.33Å; V297-E301 WeakPolarHBondContact CB-OE1 3.33Å; H298-E301 HydrophobicContact CB-CG 4.16Å; H298-E301 PolarHBondContact N-OE1 2.94Å; E301-H321 IonicContact OE1-ND1 2.78Å; E301-H321 IonicContact OE2-CE1 3.68Å; E301-H321 IonicContact OE2-CG 2.93Å; E301-H321 IonicContact OE2-ND1 3.73Å; E301-H321 PolarHBondContact OE2-ND1 2.99Å
302	P	96.9	Very high	97.5	Very high	127 Å²	127	53.2 Å²	53.2	83%	0.825	30%	0.301	S	S	*	.	S	Bend	cis	-73.2	140.9	5.7	30.6	-35.8	0	0	0	113.5
303	F	97.4	Very high	97.5	Very high	46 Å²	46	54 Å²	54	20%	0.202	31%	0.307	C	S	.	.			trans	-72.3	144.1	178.5	176.9	-101.6	0	0	0	112.2	H298 F305 L310 C318	H298-F303 HydrophobicContact CB-CB 4.25Å; H298-F303 HydrophobicContact CB-CD2 4.07Å; H298-F303 AromaticContact CD2-CD2 3.13Å; H298-F303 WeakPolarHBondContact CD2-CD2 3.34Å; H298-F303 AromaticContact CD2-CE2 3.53Å; H298-F303 AromaticContact CD2-CG 3.59Å; H298-F303 AromaticContact CE1-CG 3.67Å; H298-F303 AromaticContact CG-CD2 3.47Å; H298-F303 VanDerWaalsContact CG-CD2 3.47Å; H298-F303 AromaticContact CG-CG 3.7Å; H298-F303 WeakPolarHBondContact ND1-CB 3.35Å; H298-F303 AromaticContact ND1-CG 3.75Å; H298-F303 AromaticContact NE2-CD1 3.88Å; H298-F303 AromaticContact NE2-CD2 3.54Å; H298-F303 AromaticContact NE2-CE2 3.82Å; H298-F303 AromaticContact NE2-CG 3.56Å; F303-F305 AromaticContact CE1-CD1 3.78Å; F303-F305 HydrophobicContact CE1-CD1 3.78Å; F303-F305 AromaticContact CE1-CD2 3.86Å; F303-F305 HydrophobicContact CE1-CD2 3.86Å; F303-F305 AromaticContact CE1-CE1 3.82Å; F303-F305 HydrophobicContact CE1-CE1 3.82Å; F303-F305 AromaticContact CE1-CE2 3.9Å; F303-F305 HydrophobicContact CE1-CE2 3.9Å; F303-F305 AromaticContact CE1-CG 3.81Å; F303-F305 HydrophobicContact CE1-CG 3.81Å; F303-F305 AromaticContact CE1-CZ 3.89Å; F303-F305 HydrophobicContact CE1-CZ 3.89Å; F303-F305 AromaticContact CZ-CD1 3.93Å; F303-F305 HydrophobicContact CZ-CD1 3.93Å; F303-F305 HydrophobicContact CZ-CE1 4.1Å; F303-F305 HydrophobicContact CZ-CG 4.28Å; F303-L310 HydrophobicContact CE2-CB 4.39Å; F303-L310 HydrophobicContact CE2-CD1 4.31Å; F303-C318 HydrophobicContact CD1-CB 3.82Å; F303-C318 HydrophobicContact CE1-CB 3.53Å; F303-C318 WeakPolarHBondContact CE1-SG 3.36Å; F303-C318 HydrophobicContact CZ-CB 4.24Å; F303-C318 VanDerWaalsContact CZ-SG 3.53Å
304	S	97.6	Very high	97.4	Very high	43 Å²	43	56.4 Å²	56.4	30%	0.301	32%	0.323	S	S	.	.			trans	-139.7	128.5	172.9	176.5	0	0	0	0	110.8	S306 Q307	S304-S306 PolarHBondContact O-N 3.44Å; S304-S306 VanDerWaalsContact O-N 3.12Å; S304-S306 PolarHBondContact OG-N 3.4Å; S304-S306 PolarHBondContact OG-OG 3.38Å; S304-Q307 PolarHBondContact O-N 2.93Å
305	F	97	Very high	97.4	Very high	113 Å²	113	59.2 Å²	59.2	50%	0.496	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.1	173.9	-77	-73.5	0	0	0	113.8	F303 K311 L316 C318	F303-F305 AromaticContact CE1-CD1 3.78Å; F303-F305 HydrophobicContact CE1-CD1 3.78Å; F303-F305 AromaticContact CE1-CD2 3.86Å; F303-F305 HydrophobicContact CE1-CD2 3.86Å; F303-F305 AromaticContact CE1-CE1 3.82Å; F303-F305 HydrophobicContact CE1-CE1 3.82Å; F303-F305 AromaticContact CE1-CE2 3.9Å; F303-F305 HydrophobicContact CE1-CE2 3.9Å; F303-F305 AromaticContact CE1-CG 3.81Å; F303-F305 HydrophobicContact CE1-CG 3.81Å; F303-F305 AromaticContact CE1-CZ 3.89Å; F303-F305 HydrophobicContact CE1-CZ 3.89Å; F303-F305 AromaticContact CZ-CD1 3.93Å; F303-F305 HydrophobicContact CZ-CD1 3.93Å; F303-F305 HydrophobicContact CZ-CE1 4.1Å; F303-F305 HydrophobicContact CZ-CG 4.28Å; F305-K311 WeakPolarHBondContact O-CG 3.37Å; F305-L316 HydrophobicContact CE1-CD2 4.35Å; F305-C318 HydrophobicContact CE1-CB 4.18Å; F305-C318 HydrophobicContact CE2-CB 4.13Å; F305-C318 HydrophobicContact CZ-CB 3.55Å
306	S	96.7	Very high	97.4	Very high	75 Å²	75	60 Å²	60	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.6	-179.5	62.9	0	0	0	0	113.9	S304 K311	S304-S306 PolarHBondContact O-N 3.44Å; S304-S306 VanDerWaalsContact O-N 3.12Å; S304-S306 PolarHBondContact OG-N 3.4Å; S304-S306 PolarHBondContact OG-OG 3.38Å; S306-K311 WeakPolarHBondContact O-CD 3.31Å
307	Q	94.8	Very high	97.4	Very high	136 Å²	136	60.5 Å²	60.5	64%	0.636	35%	0.345	S	S	*	.	S	Bend	trans	-137	165.5	-172.1	-64.2	179	-7.3	0	0	111.3	S304	S304-Q307 PolarHBondContact O-N 2.93Å
308	G	96.3	Very high	97.4	Very high	54 Å²	54	61.5 Å²	61.5	56%	0.557	35%	0.352	S	S	*	.	S	Bend	trans	79.5	179.7	174.2	0	0	0	0	0	115.6	L310 K311	G308-L310 VanDerWaalsContact C-N 3.27Å; G308-L310 PolarHBondContact O-N 3.49Å; G308-K311 PolarHBondContact O-N 2.92Å
309	P	97.4	Very high	97.4	Very high	50 Å²	50	62.9 Å²	62.9	33%	0.325	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.4	-174.2	-24	35.5	0	0	0	114.4	E278 K279 A282	E278-P309 HydrophobicContact CB-CB 4.02Å; E278-P309 HydrophobicContact CB-CG 4.05Å; K279-P309 HydrophobicContact CG-CB 3.8Å; K279-P309 HydrophobicContact CG-CG 3.86Å; A282-P309 WeakPolarHBondContact CB-O 3.28Å
310	L	98.1	Very high	97.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.6	-174.2	-65.3	173.2	0	0	0	114.3	E278 L281 A282 F303 G308 D312 A313 L316	E278-L310 HydrophobicContact CB-CD1 4.33Å; E278-L310 HydrophobicContact CB-CG 4.15Å; E278-L310 HydrophobicContact CG-CD1 3.94Å; E278-L310 HydrophobicContact CG-CG 4.32Å; L281-L310 HydrophobicContact CD2-CD2 4.21Å; L281-L310 HydrophobicContact CG-CD2 4.23Å; A282-L310 HydrophobicContact CB-CD2 4.03Å; F303-L310 HydrophobicContact CE2-CB 4.39Å; F303-L310 HydrophobicContact CE2-CD1 4.31Å; G308-L310 VanDerWaalsContact C-N 3.27Å; G308-L310 PolarHBondContact O-N 3.49Å; L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 PolarHBondContact O-N 2.97Å; L310-D312 VanDerWaalsContact O-N 3.14Å; L310-A313 HydrophobicContact CB-CB 4.48Å; L310-A313 HydrophobicContact CD2-CB 4.18Å; L310-A313 VanDerWaalsContact O-CB 3.32Å; L310-A313 WeakPolarHBondContact O-CB 3.17Å; L310-A313 PolarHBondContact O-N 3.34Å; L310-L316 HydrophobicContact CB-CD2 3.79Å; L310-L316 HydrophobicContact CD1-CD2 4.11Å; L310-L316 HydrophobicContact CD2-CD2 4.32Å; L310-L316 HydrophobicContact CG-CD2 4.3Å
311	K	96	Very high	97.5	Very high	111 Å²	111	60.7 Å²	60.7	48%	0.483	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-48.5	-174.7	-179.9	-173.2	176.7	-179.5	0	114.5	F305 S306 G308	F305-K311 WeakPolarHBondContact O-CG 3.37Å; S306-K311 WeakPolarHBondContact O-CD 3.31Å; G308-K311 PolarHBondContact O-N 2.92Å
312	D	95.6	Very high	97.6	Very high	112 Å²	112	60.3 Å²	60.3	60%	0.599	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	20.6	-177	-52.6	-51.8	0	0	0	111.9	K286 L310	K286-D312 WeakPolarHBondContact CE-O 3.46Å; L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 PolarHBondContact O-N 2.97Å; L310-D312 VanDerWaalsContact O-N 3.14Å
313	A	98.3	Very high	97.7	Very high	15 Å²	15	54.4 Å²	54.4	12%	0.124	31%	0.313	C	S	.	.			trans	-77.4	126	179.2	0	0	0	0	0	110.3	A282 L285 L310 L316	A282-A313 HydrophobicContact CB-CB 4.38Å; L285-A313 HydrophobicContact CD1-CB 3.95Å; L310-A313 HydrophobicContact CB-CB 4.48Å; L310-A313 HydrophobicContact CD2-CB 4.18Å; L310-A313 VanDerWaalsContact O-CB 3.32Å; L310-A313 WeakPolarHBondContact O-CB 3.17Å; L310-A313 PolarHBondContact O-N 3.34Å; A313-L316 HydrophobicContact CB-CD2 4.5Å
314	P	98.6	Very high	97.8	Very high	51 Å²	51	55 Å²	55	33%	0.331	32%	0.315	S	S	.	.	S	Bend	trans	-74.9	165	176.4	33.5	-36.3	0	0	0	111.1	L285 L316	L285-P314 HydrophobicContact CB-CG 4.3Å; P314-L316 PolarHBondContact O-N 2.91Å
315	N	98.5	Very high	97.8	Very high	60 Å²	60	59.2 Å²	59.2	32%	0.321	33%	0.325	S	S	.	.	S	Bend	trans	53.1	39.9	171.2	-55.2	113.5	0	0	0	114.4	R148 W151 R291 G292 A293	R148-N315 PolarHBondContact NH2-ND2 3.49Å; W151-N315 HydrophobicContact CH2-CB 4.11Å; W151-N315 HydrophobicContact CZ2-CB 4.16Å; W151-N315 WeakPolarHBondContact CZ2-O 3.43Å; R291-N315 VanDerWaalsContact O-CB 3.26Å; R291-N315 WeakPolarHBondContact O-CB 3.3Å; G292-N315 CarbonylContact C-O 3.5Å; G292-N315 WeakPolarHBondContact CA-O 3.44Å; A293-N315 PolarHBondContact N-O 3.43Å
316	L	98.9	Very high	97.9	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.5	178.1	-173.5	64.1	0	0	0	110.7	W151 L285 A293 M295 F305 L310 A313 P314 C318	W151-L316 PolarHBondContact NE1-O 3.48Å; L285-L316 HydrophobicContact CD1-CD1 4.43Å; A293-L316 HydrophobicContact CB-CD1 4.02Å; A293-L316 CarbonylContact O-C 3.58Å; A293-L316 WeakPolarHBondContact O-CA 3.36Å; M295-L316 HydrophobicContact CG-CD1 3.93Å; F305-L316 HydrophobicContact CE1-CD2 4.35Å; L310-L316 HydrophobicContact CB-CD2 3.79Å; L310-L316 HydrophobicContact CD1-CD2 4.11Å; L310-L316 HydrophobicContact CD2-CD2 4.32Å; L310-L316 HydrophobicContact CG-CD2 4.3Å; A313-L316 HydrophobicContact CB-CD2 4.5Å; P314-L316 PolarHBondContact O-N 2.91Å; L316-C318 VanDerWaalsContact CG-SG 3.58Å
317	I	98.9	Very high	98	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.9	165.8	-65.2	174.8	0	0	0	106.4	N144 L145 W151 A293 A294 M295	N144-I317 HydrophobicContact CB-CD1 3.75Å; L145-I317 HydrophobicContact CD2-CD1 4.13Å; W151-I317 HydrophobicContact CZ2-CD1 4.1Å; W151-I317 HydrophobicContact CZ2-CG1 3.8Å; A293-I317 PolarHBondContact O-N 3.27Å; A294-I317 CarbonylContact C-O 3.56Å; A294-I317 VanDerWaalsContact CA-O 3.3Å; A294-I317 WeakPolarHBondContact CA-O 3.4Å; A294-I317 HydrophobicContact CB-CB 4.06Å; A294-I317 HydrophobicContact CB-CG2 4.43Å; M295-I317 PolarHBondContact N-O 3.36Å
318	C	98.9	Very high	98.2	Very high	23 Å²	23	57.8 Å²	57.8	16%	0.155	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.4	174	-61.5	0	0	0	0	110.5	M295 H298 F303 F305 L316	M295-C318 CarbonylContact O-C 3.3Å; M295-C318 WeakPolarHBondContact O-CA 3.12Å; H298-C318 PolarHBondContact NE2-SG 2.93Å; F303-C318 HydrophobicContact CD1-CB 3.82Å; F303-C318 HydrophobicContact CE1-CB 3.53Å; F303-C318 WeakPolarHBondContact CE1-SG 3.36Å; F303-C318 HydrophobicContact CZ-CB 4.24Å; F303-C318 VanDerWaalsContact CZ-SG 3.53Å; F305-C318 HydrophobicContact CE1-CB 4.18Å; F305-C318 HydrophobicContact CE2-CB 4.13Å; F305-C318 HydrophobicContact CZ-CB 3.55Å; L316-C318 VanDerWaalsContact CG-SG 3.58Å
319	T	98.9	Very high	98.3	Very high	35 Å²	35	55.2 Å²	55.2	22%	0.215	29%	0.287	C	S	.	.			trans	-124.2	150.8	166.3	44.7	0	0	0	0	109.6	H141 M295 D296 H321	H141-T319 PolarHBondContact CE1-OG1 3.22Å; H141-T319 PolarHBondContact NE2-OG1 3.23Å; M295-T319 PolarHBondContact O-N 3.48Å; D296-T319 CarbonylContact C-O 3.51Å; D296-T319 WeakPolarHBondContact CA-O 3.37Å; D296-T319 WeakPolarHBondContact CA-OG1 3.39Å; D296-T319 WeakPolarHBondContact CB-OG1 3.4Å; D296-T319 VanDerWaalsContact OD1-CB 3.24Å; D296-T319 WeakPolarHBondContact OD1-CB 3.49Å; D296-T319 PolarHBondContact OD1-OG1 3Å; T319-H321 VanDerWaalsContact C-N 3.32Å; T319-H321 PolarHBondContact O-N 3.33Å; T319-H321 VanDerWaalsContact O-N 3.07Å
320	P	98.6	Very high	98.3	Very high	101 Å²	101	54 Å²	54	66%	0.656	28%	0.279	S	S	*	.	S	Bend	trans	-89.7	61.9	-168	35.2	-34.4	0	0	0	112.2	T322	P320-T322 HydrophobicContact CG-CG2 3.84Å; P320-T322 PolarHBondContact O-N 2.92Å
321	H	98.6	Very high	98.4	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.106	30%	0.299	C	S	.	.	S	Bend	trans	55.8	51.7	179.8	-159.8	158.3	0	0	0	112.8	H83 D296 E301 T319 W324	H83-H321 AromaticContact CD2-CE1 3.43Å; H83-H321 PolarHBondContact CD2-CE1 3.41Å; H83-H321 VanDerWaalsContact CD2-CE1 3.43Å; H83-H321 AromaticContact CD2-ND1 3.32Å; H83-H321 PolarHBondContact CD2-ND1 2.99Å; H83-H321 VanDerWaalsContact CD2-ND1 3.32Å; H83-H321 AromaticContact CE1-CE1 3.88Å; H83-H321 AromaticContact CE1-CG 3.98Å; H83-H321 AromaticContact CE1-ND1 3.7Å; H83-H321 AromaticContact CG-CE1 3.54Å; H83-H321 AromaticContact CG-ND1 3.88Å; H83-H321 AromaticContact ND1-CE1 3.82Å; H83-H321 AromaticContact NE2-CE1 3.68Å; H83-H321 AromaticContact NE2-CG 3.79Å; H83-H321 AromaticContact NE2-ND1 3.23Å; H83-H321 PolarHBondContact NE2-ND1 3.18Å; D296-H321 WeakPolarHBondContact O-CA 3.28Å; D296-H321 PolarHBondContact O-N 3.11Å; D296-H321 WeakPolarHBondContact OD2-CA 3.17Å; E301-H321 IonicContact OE1-ND1 2.78Å; E301-H321 IonicContact OE2-CE1 3.68Å; E301-H321 IonicContact OE2-CG 2.93Å; E301-H321 IonicContact OE2-ND1 3.73Å; E301-H321 PolarHBondContact OE2-ND1 2.99Å; T319-H321 VanDerWaalsContact C-N 3.32Å; T319-H321 PolarHBondContact O-N 3.33Å; T319-H321 VanDerWaalsContact O-N 3.07Å; H321-W324 AromaticContact CD2-CD1 3.91Å; H321-W324 VanDerWaalsContact O-CD1 3.26Å; H321-W324 PolarHBondContact O-NE1 3.36Å
322	T	98.7	Very high	98.5	Very high	60 Å²	60	57 Å²	57	37%	0.368	30%	0.297	S	S	.	.			trans	-114.9	-3.2	-171.3	48.1	0	0	0	0	114	D296 P320 W324 Y325	D296-T322 PolarHBondContact OD1-N 3.45Å; D296-T322 PolarHBondContact OD1-OG1 3.4Å; D296-T322 PolarHBondContact OD2-N 3.26Å; D296-T322 VanDerWaalsContact OD2-N 3.13Å; P320-T322 HydrophobicContact CG-CG2 3.84Å; P320-T322 PolarHBondContact O-N 2.92Å; T322-W324 PolarHBondContact O-N 3Å; T322-Y325 PolarHBondContact O-N 2.83Å
323	A	98.8	Very high	98.6	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	-177	0	0	0	0	0	113.2	E133 T134 S137 T270 D296	E133-A323 CarbonylContact C-O 3.5Å; E133-A323 VanDerWaalsContact O-O 3.1Å; T134-A323 VanDerWaalsContact CA-O 3.26Å; T134-A323 WeakPolarHBondContact CA-O 3.42Å; T134-A323 HydrophobicContact CG2-CB 4.27Å; T134-A323 PolarHBondContact N-O 3.16Å; T134-A323 VanDerWaalsContact N-O 3.15Å; S137-A323 PolarHBondContact OG-O 3.04Å; T270-A323 HydrophobicContact CG2-CB 4.34Å; D296-A323 HydrophobicContact CB-CB 4.32Å; D296-A323 PolarHBondContact OD1-N 3.13Å; D296-A323 WeakPolarHBondContact OD2-CB 3.42Å; D296-A323 PolarHBondContact OD2-N 3.48Å
324	W	98.6	Very high	98.7	Very high	59 Å²	59	52 Å²	52	22%	0.223	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.6	179.1	69.4	-89.4	0	0	0	114.5	A130 H321 T322 S326 M333	A130-W324 HydrophobicContact CB-CB 3.84Å; A130-W324 WeakPolarHBondContact CB-O 2.84Å; H321-W324 AromaticContact CD2-CD1 3.91Å; H321-W324 VanDerWaalsContact O-CD1 3.26Å; H321-W324 PolarHBondContact O-NE1 3.36Å; T322-W324 PolarHBondContact O-N 3Å; W324-S326 PolarHBondContact O-N 3.38Å; W324-M333 HydrophobicContact CD2-CE 4.33Å; W324-M333 HydrophobicContact CE3-CE 3.26Å; W324-M333 HydrophobicContact CE3-SD 3.89Å; W324-M333 HydrophobicContact CH2-SD 4.48Å; W324-M333 HydrophobicContact CZ3-CE 3.51Å; W324-M333 HydrophobicContact CZ3-SD 3.66Å
325	Y	98.8	Very high	98.7	Very high	131 Å²	131	54 Å²	54	51%	0.514	27%	0.272	S	S	.	.			trans	-85.7	119.6	-163.2	-179.6	-96.4	0	0	0	112.7	T322	T322-Y325 PolarHBondContact O-N 2.83Å
326	S	98.8	Very high	98.7	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	27%	0.269	C	S	.	.			trans	-135	160.3	153.4	70.8	0	0	0	0	107.8	E133 W324 Q328 A329 S330	E133-S326 PolarHBondContact OE1-OG 2.8Å; W324-S326 PolarHBondContact O-N 3.38Å; S326-Q328 PolarHBondContact O-N 2.78Å; S326-A329 PolarHBondContact O-N 2.81Å; S326-A329 WeakPolarHBondContact OG-CB 3.43Å; S326-A329 PolarHBondContact OG-N 3.02Å; S326-S330 VanDerWaalsContact O-CB 3.3Å; S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.74Å
327	E	98.1	Very high	98.7	Very high	146 Å²	146	51.8 Å²	51.8	68%	0.682	27%	0.265	S	S	*	.	H	α-helix	trans	-56.3	-39.8	175.7	-68.2	-177.6	177.4	0	0	110.7	L331	E327-L331 PolarHBondContact O-N 3.01Å
328	Q	98.7	Very high	98.7	Very high	129 Å²	129	51.2 Å²	51.2	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-71.7	-47.9	-179	-61.5	77.1	9	0	0	111.8	S326 S330 L331 E332	S326-Q328 PolarHBondContact O-N 2.78Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.9Å; Q328-L331 PolarHBondContact O-N 2.91Å; Q328-E332 WeakPolarHBondContact O-CB 3.28Å; Q328-E332 PolarHBondContact O-N 3.35Å
329	A	98.5	Very high	98.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-39.9	179.3	0	0	0	0	0	111.8	A129 A130 E133 S326 E332 M333	A129-A329 VanDerWaalsContact O-CB 3.26Å; A129-A329 WeakPolarHBondContact O-CB 3.41Å; A130-A329 HydrophobicContact CB-CB 4.21Å; E133-A329 HydrophobicContact CG-CB 4.23Å; S326-A329 PolarHBondContact O-N 2.81Å; S326-A329 WeakPolarHBondContact OG-CB 3.43Å; S326-A329 PolarHBondContact OG-N 3.02Å; A329-E332 PolarHBondContact O-N 3.07Å; A329-M333 HydrophobicContact CB-CE 4.35Å; A329-M333 VanDerWaalsContact O-CE 3.24Å; A329-M333 WeakPolarHBondContact O-CE 3.04Å; A329-M333 WeakPolarHBondContact O-CG 3.34Å; A329-M333 PolarHBondContact O-N 2.99Å
330	S	98.6	Very high	98.7	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-46.5	175.6	-177.3	0	0	0	0	111.6	S326 Q328 M333 R334	S326-S330 VanDerWaalsContact O-CB 3.3Å; S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.74Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.9Å; S330-M333 WeakPolarHBondContact O-CG 3.4Å; S330-R334 WeakPolarHBondContact O-CB 3.21Å; S330-R334 VanDerWaalsContact O-CG 3.23Å; S330-R334 WeakPolarHBondContact O-CG 3.22Å; S330-R334 PolarHBondContact O-N 3.38Å
331	L	98.6	Very high	98.6	Very high	79 Å²	79	46 Å²	46	41%	0.414	23%	0.227	S	C	.	.	H	α-helix	trans	-61.7	-51.5	175.4	-178.8	62.9	0	0	0	111.2	V46 E327 Q328 M333 R334 E335	V46-L331 HydrophobicContact CB-CD1 4.5Å; V46-L331 HydrophobicContact CG1-CD1 3.85Å; V46-L331 HydrophobicContact CG2-CD1 3.77Å; E327-L331 PolarHBondContact O-N 3.01Å; Q328-L331 PolarHBondContact O-N 2.91Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 2.84Å; L331-R334 PolarHBondContact O-N 2.81Å; L331-E335 HydrophobicContact CD1-CG 4.07Å; L331-E335 HydrophobicContact CG-CG 4.33Å; L331-E335 WeakPolarHBondContact O-CG 3.42Å; L331-E335 PolarHBondContact O-N 3.44Å
332	E	98.8	Very high	98.6	Very high	97 Å²	97	48.9 Å²	48.9	45%	0.453	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-46.3	-177.8	-175.9	-176.1	147.6	0	0	111.7	A129 Q328 A329 R334 E335 A336	A129-E332 HydrophobicContact CB-CB 4.42Å; A129-E332 HydrophobicContact CB-CG 4.24Å; Q328-E332 WeakPolarHBondContact O-CB 3.28Å; Q328-E332 PolarHBondContact O-N 3.35Å; A329-E332 PolarHBondContact O-N 3.07Å; E332-R334 PolarHBondContact O-N 2.79Å; E332-E335 PolarHBondContact O-N 3.38Å; E332-A336 VanDerWaalsContact O-CB 3.24Å; E332-A336 WeakPolarHBondContact O-CB 3.48Å; E332-A336 PolarHBondContact O-N 2.81Å
333	M	98.5	Very high	98.6	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-35.1	-178	68.7	-179.3	73.5	0	0	113.4	I104 I126 A129 A130 W324 A329 S330 L331 A337	I104-M333 HydrophobicContact CG2-CB 4.14Å; I104-M333 HydrophobicContact CG2-CG 3.57Å; I104-M333 HydrophobicContact CG2-SD 3.75Å; I126-M333 HydrophobicContact CB-CB 4.44Å; I126-M333 HydrophobicContact CG2-CB 4.05Å; A129-M333 HydrophobicContact CB-CB 3.62Å; A129-M333 HydrophobicContact CB-CE 4.36Å; A130-M333 HydrophobicContact CB-CE 4.15Å; W324-M333 HydrophobicContact CD2-CE 4.33Å; W324-M333 HydrophobicContact CE3-CE 3.26Å; W324-M333 HydrophobicContact CE3-SD 3.89Å; W324-M333 HydrophobicContact CH2-SD 4.48Å; W324-M333 HydrophobicContact CZ3-CE 3.51Å; W324-M333 HydrophobicContact CZ3-SD 3.66Å; A329-M333 HydrophobicContact CB-CE 4.35Å; A329-M333 VanDerWaalsContact O-CE 3.24Å; A329-M333 WeakPolarHBondContact O-CE 3.04Å; A329-M333 WeakPolarHBondContact O-CG 3.34Å; A329-M333 PolarHBondContact O-N 2.99Å; S330-M333 WeakPolarHBondContact O-CG 3.4Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 2.84Å; M333-A337 VanDerWaalsContact O-CB 3.28Å; M333-A337 WeakPolarHBondContact O-CB 3.44Å; M333-A337 PolarHBondContact O-N 2.94Å
334	R	98.8	Very high	98.5	Very high	18 Å²	18	50.5 Å²	50.5	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-69.4	-43.6	177	-71.8	176.2	68	-174.3	-0	111	D43 V46 E47 I104 S330 L331 E332 A336 A337 A338	D43-R334 VanDerWaalsContact CG-NH2 3.33Å; D43-R334 PolarHBondContact O-NH2 3.09Å; D43-R334 IonicContact OD1-NH2 3.62Å; D43-R334 PolarHBondContact OD1-NH2 3.13Å; D43-R334 IonicContact OD2-CZ 3.95Å; D43-R334 IonicContact OD2-NH1 2.85Å; D43-R334 PolarHBondContact OD2-NH1 2.97Å; D43-R334 IonicContact OD2-NH2 3.6Å; D43-R334 PolarHBondContact OD2-NH2 2.8Å; V46-R334 HydrophobicContact CB-CB 4.09Å; V46-R334 HydrophobicContact CG1-CB 3.73Å; V46-R334 VanDerWaalsContact CG2-CZ 3.49Å; E47-R334 WeakPolarHBondContact OE1-CB 3.39Å; E47-R334 WeakPolarHBondContact OE1-CG 3.31Å; E47-R334 IonicContact OE1-CZ 3.42Å; E47-R334 IonicContact OE1-NE 2.84Å; E47-R334 PolarHBondContact OE1-NE 3.14Å; E47-R334 IonicContact OE1-NH2 3.87Å; E47-R334 PolarHBondContact OE1-NH2 2.79Å; E47-R334 IonicContact OE2-CZ 2.79Å; E47-R334 IonicContact OE2-NE 3.48Å; E47-R334 IonicContact OE2-NH2 3.95Å; E47-R334 PolarHBondContact OE2-NH2 2.79Å; I104-R334 HydrophobicContact CG2-CG 4.23Å; S330-R334 WeakPolarHBondContact O-CB 3.21Å; S330-R334 VanDerWaalsContact O-CG 3.23Å; S330-R334 WeakPolarHBondContact O-CG 3.22Å; S330-R334 PolarHBondContact O-N 3.38Å; L331-R334 PolarHBondContact O-N 2.81Å; E332-R334 PolarHBondContact O-N 2.79Å; R334-A336 PolarHBondContact O-N 2.71Å; R334-A337 PolarHBondContact O-N 2.93Å; R334-A338 WeakPolarHBondContact O-CB 3.5Å; R334-A338 PolarHBondContact O-N 3.23Å
335	E	98.8	Very high	98.3	Very high	91 Å²	91	48.8 Å²	48.8	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-44.3	173.7	-69.9	-174.2	153.7	0	0	111.8	V46 I50 L331 E332 A338 T339	V46-E335 HydrophobicContact CG1-CG 3.64Å; I50-E335 HydrophobicContact CD1-CB 4.16Å; I50-E335 HydrophobicContact CD1-CG 4.06Å; L331-E335 HydrophobicContact CD1-CG 4.07Å; L331-E335 HydrophobicContact CG-CG 4.33Å; L331-E335 WeakPolarHBondContact O-CG 3.42Å; L331-E335 PolarHBondContact O-N 3.44Å; E332-E335 PolarHBondContact O-N 3.38Å; E335-A338 PolarHBondContact O-N 2.76Å; E335-T339 WeakPolarHBondContact O-CB 3.35Å; E335-T339 PolarHBondContact O-N 3.49Å; E335-T339 PolarHBondContact O-OG1 2.79Å
336	A	98.8	Very high	98.1	Very high	31 Å²	31	46.9 Å²	46.9	26%	0.256	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-40	178.2	0	0	0	0	0	112	I126 E332 R334 T339 E340	I126-A336 HydrophobicContact CD1-CB 3.82Å; I126-A336 HydrophobicContact CG1-CB 4.44Å; I126-A336 HydrophobicContact CG2-CB 4Å; E332-A336 VanDerWaalsContact O-CB 3.24Å; E332-A336 WeakPolarHBondContact O-CB 3.48Å; E332-A336 PolarHBondContact O-N 2.81Å; R334-A336 PolarHBondContact O-N 2.71Å; A336-T339 PolarHBondContact O-N 2.77Å; A336-E340 PolarHBondContact O-N 3.25Å
337	A	98.8	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-46.2	176.6	0	0	0	0	0	112.5	M80 I102 I104 I126 M333 R334 T339 E340 I341	M80-A337 HydrophobicContact SD-CB 4.49Å; I102-A337 HydrophobicContact CG2-CB 3.69Å; I104-A337 HydrophobicContact CG1-CB 3.8Å; I126-A337 HydrophobicContact CD1-CB 4.23Å; I126-A337 HydrophobicContact CG1-CB 4.24Å; M333-A337 VanDerWaalsContact O-CB 3.28Å; M333-A337 WeakPolarHBondContact O-CB 3.44Å; M333-A337 PolarHBondContact O-N 2.94Å; R334-A337 PolarHBondContact O-N 2.93Å; A337-T339 VanDerWaalsContact C-N 3.28Å; A337-T339 PolarHBondContact O-N 3.06Å; A337-E340 WeakPolarHBondContact O-CB 3.46Å; A337-E340 PolarHBondContact O-N 2.9Å; A337-E340 VanDerWaalsContact O-N 3.11Å; A337-I341 PolarHBondContact O-N 2.83Å
338	A	98.8	Very high	97.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-39.6	174.3	0	0	0	0	0	111.6	E47 I50 L51 R334 E335 E340 I341 R342	E47-A338 HydrophobicContact CB-CB 4.04Å; E47-A338 HydrophobicContact CG-CB 4.08Å; I50-A338 HydrophobicContact CB-CB 3.99Å; I50-A338 HydrophobicContact CD1-CB 3.83Å; I50-A338 HydrophobicContact CG2-CB 3.83Å; L51-A338 HydrophobicContact CD1-CB 4.27Å; L51-A338 WeakPolarHBondContact CD2-O 3.48Å; L51-A338 HydrophobicContact CG-CB 4.29Å; R334-A338 WeakPolarHBondContact O-CB 3.5Å; R334-A338 PolarHBondContact O-N 3.23Å; E335-A338 PolarHBondContact O-N 2.76Å; A338-E340 VanDerWaalsContact C-N 3.31Å; A338-E340 PolarHBondContact O-N 2.94Å; A338-I341 PolarHBondContact O-N 2.95Å; A338-R342 PolarHBondContact O-N 2.88Å
339	T	98.6	Very high	97.3	Very high	47 Å²	47	42.9 Å²	42.9	29%	0.288	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-36.6	175	-57.4	0	0	0	0	111.8	E335 A336 A337 R342 R343	E335-T339 WeakPolarHBondContact O-CB 3.35Å; E335-T339 PolarHBondContact O-N 3.49Å; E335-T339 PolarHBondContact O-OG1 2.79Å; A336-T339 PolarHBondContact O-N 2.77Å; A337-T339 VanDerWaalsContact C-N 3.28Å; A337-T339 PolarHBondContact O-N 3.06Å; T339-R342 WeakPolarHBondContact O-CB 3.26Å; T339-R342 PolarHBondContact O-N 3.38Å; T339-R343 WeakPolarHBondContact O-CG 3.39Å; T339-R343 PolarHBondContact O-N 3.25Å
340	E	98.7	Very high	97.1	Very high	2 Å²	2	44 Å²	44	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-39.4	176.4	-165	71.1	164.7	0	0	112.1	I102 C124 A336 A337 A338 R342 R343 A344 R354 N355	I102-E340 HydrophobicContact CD1-CB 3.93Å; I102-E340 HydrophobicContact CD1-CG 3.5Å; I102-E340 VanDerWaalsContact CD1-CG 3.5Å; I102-E340 HydrophobicContact CG1-CB 4.47Å; C124-E340 HydrophobicContact CB-CG 3.99Å; C124-E340 PolarHBondContact SG-OE1 3.4Å; C124-E340 VanDerWaalsContact SG-OE1 3.36Å; A336-E340 PolarHBondContact O-N 3.25Å; A337-E340 WeakPolarHBondContact O-CB 3.46Å; A337-E340 PolarHBondContact O-N 2.9Å; A337-E340 VanDerWaalsContact O-N 3.11Å; A338-E340 VanDerWaalsContact C-N 3.31Å; A338-E340 PolarHBondContact O-N 2.94Å; E340-R342 VanDerWaalsContact C-N 3.31Å; E340-R342 PolarHBondContact O-N 3.01Å; E340-R343 PolarHBondContact O-N 2.84Å; E340-R343 WeakPolarHBondContact OE2-CD 3.33Å; E340-R343 IonicContact OE2-CZ 3.69Å; E340-R343 IonicContact OE2-NE 2.66Å; E340-R343 IonicContact OE2-NH1 3.23Å; E340-R343 PolarHBondContact OE2-NH1 2.88Å; E340-A344 PolarHBondContact O-N 3.3Å; E340-R354 PolarHBondContact OE1-N 2.87Å; E340-R354 WeakPolarHBondContact OE2-CB 3.24Å; E340-R354 PolarHBondContact OE2-N 3.24Å; E340-N355 PolarHBondContact OE1-N 3.11Å; E340-N355 VanDerWaalsContact OE1-N 3.07Å
341	I	98.4	Very high	96.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-57.2	-46	168	-69.7	-64	0	0	0	110.5	V36 L51 M80 I100 I102 A337 A338 R343 A344 I345	V36-I341 HydrophobicContact CG1-CD1 4.25Å; V36-I341 HydrophobicContact CG1-CG1 4.24Å; V36-I341 HydrophobicContact CG1-CG2 4.04Å; V36-I341 HydrophobicContact CG2-CG2 3.72Å; L51-I341 HydrophobicContact CD1-CB 4.25Å; L51-I341 HydrophobicContact CD1-CG2 3.88Å; L51-I341 HydrophobicContact CD2-CB 4.17Å; L51-I341 HydrophobicContact CD2-CG2 3.73Å; L51-I341 HydrophobicContact CG-CG2 4.49Å; M80-I341 HydrophobicContact CG-CD1 4.1Å; M80-I341 HydrophobicContact CG-CG1 3.78Å; M80-I341 HydrophobicContact SD-CG1 3.89Å; I100-I341 HydrophobicContact CG2-CD1 3.99Å; I102-I341 HydrophobicContact CD1-CD1 4.34Å; I102-I341 HydrophobicContact CG1-CD1 3.45Å; I102-I341 VanDerWaalsContact CG1-CD1 3.45Å; I102-I341 HydrophobicContact CG1-CG1 3.78Å; A337-I341 PolarHBondContact O-N 2.83Å; A338-I341 PolarHBondContact O-N 2.95Å; I341-R343 VanDerWaalsContact C-N 3.34Å; I341-R343 PolarHBondContact O-N 3.48Å; I341-A344 WeakPolarHBondContact O-CB 3.44Å; I341-A344 PolarHBondContact O-N 3.17Å; I341-A344 VanDerWaalsContact O-N 3.11Å; I341-I345 HydrophobicContact CG2-CD1 3.64Å; I341-I345 HydrophobicContact CG2-CG1 4.31Å; I341-I345 WeakPolarHBondContact O-CG1 3.01Å; I341-I345 PolarHBondContact O-N 3.28Å
342	R	97.9	Very high	96.6	Very high	84 Å²	84	47.7 Å²	47.7	32%	0.317	24%	0.242	S	C	.	.	H	α-helix	trans	-57.8	-44.9	177.6	-177.8	173.9	-169.8	100.9	7.2	111.7	I50 L51 D53 L54 A338 T339 E340 A344 I345 T346	I50-R342 PolarHBondContact O-NH1 3.33Å; L51-R342 HydrophobicContact CD2-CB 4.05Å; D53-R342 VanDerWaalsContact CG-NH1 3.32Å; D53-R342 IonicContact OD1-CZ 3.42Å; D53-R342 IonicContact OD1-NH1 3.65Å; D53-R342 PolarHBondContact OD1-NH1 3.22Å; D53-R342 IonicContact OD2-CZ 3.44Å; D53-R342 IonicContact OD2-NH1 2.77Å; D53-R342 PolarHBondContact OD2-NH1 3.19Å; D53-R342 IonicContact OD2-NH2 3.81Å; D53-R342 PolarHBondContact OD2-NH2 2.88Å; L54-R342 HydrophobicContact CD1-CG 3.7Å; L54-R342 VanDerWaalsContact CD1-CZ 3.5Å; A338-R342 PolarHBondContact O-N 2.88Å; T339-R342 WeakPolarHBondContact O-CB 3.26Å; T339-R342 PolarHBondContact O-N 3.38Å; E340-R342 VanDerWaalsContact C-N 3.31Å; E340-R342 PolarHBondContact O-N 3.01Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.09Å; R342-I345 PolarHBondContact O-N 3.26Å; R342-T346 HydrophobicContact CG-CG2 4.44Å; R342-T346 WeakPolarHBondContact O-CB 3.4Å; R342-T346 WeakPolarHBondContact O-CG2 3.43Å; R342-T346 PolarHBondContact O-N 3.24Å; R342-T346 PolarHBondContact O-OG1 3.31Å
343	R	97.7	Very high	96.5	Very high	94 Å²	94	43.4 Å²	43.4	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-40.7	175	-69.9	-176.1	-168.1	105.7	6.9	111.9	T339 E340 I341 G347	T339-R343 WeakPolarHBondContact O-CG 3.39Å; T339-R343 PolarHBondContact O-N 3.25Å; E340-R343 PolarHBondContact O-N 2.84Å; E340-R343 WeakPolarHBondContact OE2-CD 3.33Å; E340-R343 IonicContact OE2-CZ 3.69Å; E340-R343 IonicContact OE2-NE 2.66Å; E340-R343 IonicContact OE2-NH1 3.23Å; E340-R343 PolarHBondContact OE2-NH1 2.88Å; I341-R343 VanDerWaalsContact C-N 3.34Å; I341-R343 PolarHBondContact O-N 3.48Å; R343-G347 WeakPolarHBondContact O-CA 3.21Å; R343-G347 PolarHBondContact O-N 2.83Å
344	A	96.5	Very high	96.5	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-37.5	179.3	0	0	0	0	0	113.3	I100 E340 I341 R342 I349 L353	I100-A344 HydrophobicContact CB-CB 4.38Å; I100-A344 HydrophobicContact CD1-CB 3.36Å; I100-A344 HydrophobicContact CG1-CB 4.45Å; I100-A344 HydrophobicContact CG2-CB 3.95Å; E340-A344 PolarHBondContact O-N 3.3Å; I341-A344 WeakPolarHBondContact O-CB 3.44Å; I341-A344 PolarHBondContact O-N 3.17Å; I341-A344 VanDerWaalsContact O-N 3.11Å; R342-A344 VanDerWaalsContact C-N 3.31Å; R342-A344 PolarHBondContact O-N 3.09Å; A344-I349 HydrophobicContact CB-CD1 3.97Å; A344-I349 HydrophobicContact CB-CG1 4.18Å; A344-L353 HydrophobicContact CB-CD2 3.7Å
345	I	95.3	Very high	96.4	Very high	22 Å²	22	53.3 Å²	53.3	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-75.7	-38.7	177.8	-66.3	171	0	0	0	111.2	M30 P34 V36 A55 I341 R342	M30-I345 HydrophobicContact CE-CB 4.44Å; M30-I345 HydrophobicContact CE-CG2 3.99Å; M30-I345 WeakPolarHBondContact CE-O 3.48Å; M30-I345 HydrophobicContact SD-CG2 4.23Å; P34-I345 HydrophobicContact CG-CD1 3.99Å; P34-I345 HydrophobicContact CG-CG1 4.3Å; P34-I345 HydrophobicContact CG-CG2 4.14Å; V36-I345 HydrophobicContact CG2-CD1 3.98Å; A55-I345 HydrophobicContact CB-CD1 3.9Å; I341-I345 HydrophobicContact CG2-CD1 3.64Å; I341-I345 HydrophobicContact CG2-CG1 4.31Å; I341-I345 WeakPolarHBondContact O-CG1 3.01Å; I341-I345 PolarHBondContact O-N 3.28Å; R342-I345 PolarHBondContact O-N 3.26Å
346	T	94.9	Very high	96.4	Very high	91 Å²	91	49.9 Å²	49.9	56%	0.558	25%	0.249	S	C	*	.	H	α-helix	trans	-87.8	-23	-175.4	54.2	0	0	0	0	113.6	L54 R342	L54-T346 HydrophobicContact CD1-CG2 3.69Å; L54-T346 HydrophobicContact CD2-CG2 4.44Å; R342-T346 HydrophobicContact CG-CG2 4.44Å; R342-T346 WeakPolarHBondContact O-CB 3.4Å; R342-T346 WeakPolarHBondContact O-CG2 3.43Å; R342-T346 PolarHBondContact O-N 3.24Å; R342-T346 PolarHBondContact O-OG1 3.31Å
347	G	93	Very high	96.3	Very high	28 Å²	28	49.8 Å²	49.8	29%	0.289	25%	0.245	S	C	.	.	S	Bend	trans	-111.4	-169.3	-175.5	0	0	0	0	0	114.3	R343	R343-G347 WeakPolarHBondContact O-CA 3.21Å; R343-G347 PolarHBondContact O-N 2.83Å
348	R	92.1	Very high	96.3	Very high	175 Å²	175	49.8 Å²	49.8	66%	0.66	25%	0.245	S	C	*	.			trans	-96.9	131.2	174.1	-65.4	-177.3	-177	176.3	1	109.9	D351 S352	R348-D351 PolarHBondContact O-N 3.04Å; R348-S352 PolarHBondContact N-OG 2.92Å; R348-S352 VanDerWaalsContact O-CB 3.28Å; R348-S352 WeakPolarHBondContact O-CB 3.21Å; R348-S352 PolarHBondContact O-N 3.03Å; R348-S352 PolarHBondContact O-OG 3.06Å; R348-S352 VanDerWaalsContact O-OG 3.08Å
349	I	93.8	Very high	96.1	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.046	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	134.8	176.2	-64.1	172.1	0	0	0	109	I25 R99 I100 A122 A344 L353	I25-I349 HydrophobicContact CD1-CG2 4.17Å; R99-I349 HydrophobicContact CB-CD1 4.1Å; I100-I349 HydrophobicContact CB-CD1 4.31Å; A122-I349 HydrophobicContact CB-CG2 3.59Å; A344-I349 HydrophobicContact CB-CD1 3.97Å; A344-I349 HydrophobicContact CB-CG1 4.18Å; I349-L353 HydrophobicContact CG1-CD2 4.47Å; I349-L353 HydrophobicContact CG2-CD1 4.02Å
350	P	93.4	Very high	95.7	Very high	22 Å²	22	58.4 Å²	58.4	14%	0.143	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	1.9	0.3	36.7	-35	0	0	0	114.9	S352 L353 K359 F362	P350-S352 VanDerWaalsContact C-N 3.34Å; P350-S352 PolarHBondContact O-N 2.86Å; P350-L353 HydrophobicContact CB-CD1 4.21Å; P350-L353 WeakPolarHBondContact O-CB 3.24Å; P350-L353 PolarHBondContact O-N 2.84Å; P350-L353 VanDerWaalsContact O-N 3.16Å; P350-K359 HydrophobicContact CB-CG 4.27Å; P350-K359 HydrophobicContact CG-CG 4.49Å; P350-F362 HydrophobicContact CB-CE2 4.36Å; P350-F362 HydrophobicContact CG-CD2 4.43Å; P350-F362 HydrophobicContact CG-CE2 4.43Å
351	D	92.6	Very high	95.3	Very high	130 Å²	130	61.2 Å²	61.2	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.7	-170.2	-62.4	-23.6	0	0	0	114.3	R348 L353	R348-D351 PolarHBondContact O-N 3.04Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 2.8Å
352	S	95.2	Very high	94.7	Very high	50 Å²	50	63 Å²	63	35%	0.35	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.2	-178.8	-55	0	0	0	0	113.3	R348 P350	R348-S352 PolarHBondContact N-OG 2.92Å; R348-S352 VanDerWaalsContact O-CB 3.28Å; R348-S352 WeakPolarHBondContact O-CB 3.21Å; R348-S352 PolarHBondContact O-N 3.03Å; R348-S352 PolarHBondContact O-OG 3.06Å; R348-S352 VanDerWaalsContact O-OG 3.08Å; P350-S352 VanDerWaalsContact C-N 3.34Å; P350-S352 PolarHBondContact O-N 2.86Å
353	L	97	Very high	93.4	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.042	31%	0.312	C	S	.	.			trans	-82.7	136.4	-176.7	-55.5	-178.6	0	0	0	110.8	I100 A122 A344 I349 P350 D351 C356	I100-L353 HydrophobicContact CD1-CD1 3.79Å; I100-L353 HydrophobicContact CD1-CD2 3.57Å; I100-L353 HydrophobicContact CD1-CG 4.35Å; A122-L353 HydrophobicContact CB-CD1 3.53Å; A344-L353 HydrophobicContact CB-CD2 3.7Å; I349-L353 HydrophobicContact CG1-CD2 4.47Å; I349-L353 HydrophobicContact CG2-CD1 4.02Å; P350-L353 HydrophobicContact CB-CD1 4.21Å; P350-L353 WeakPolarHBondContact O-CB 3.24Å; P350-L353 PolarHBondContact O-N 2.84Å; P350-L353 VanDerWaalsContact O-N 3.16Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 2.8Å; L353-C356 HydrophobicContact CB-CB 3.88Å; L353-C356 HydrophobicContact CD1-CB 3.93Å
354	R	97.4	Very high	91.4	Very high	182 Å²	182	64.1 Å²	64.1	69%	0.687	33%	0.332	S	S	*	.	S	Bend	trans	-77.1	-45.6	-177.7	-179.3	58.5	177	170.8	0.8	111.7	E340	E340-R354 PolarHBondContact OE1-N 2.87Å; E340-R354 WeakPolarHBondContact OE2-CB 3.24Å; E340-R354 PolarHBondContact OE2-N 3.24Å
355	N	97.4	Very high	88.9	Confident	50 Å²	50	67.8 Å²	67.8	27%	0.267	35%	0.354	S	S	.	.	S	Bend	trans	-130.6	46.9	-170.9	-63.8	-47.4	0	0	0	112	C124 N125 P127 E340 V357	C124-N355 WeakPolarHBondContact CA-O 3.46Å; C124-N355 WeakPolarHBondContact CB-O 3.41Å; N125-N355 PolarHBondContact N-O 3.19Å; N125-N355 WeakPolarHBondContact O-CB 3.35Å; P127-N355 WeakPolarHBondContact CD-ND2 3.3Å; E340-N355 PolarHBondContact OE1-N 3.11Å; E340-N355 VanDerWaalsContact OE1-N 3.07Å; N355-V357 PolarHBondContact O-N 3.2Å
356	C	98.2	Very high	85.9	Confident	19 Å²	19	70 Å²	70	13%	0.128	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-74.1	125.5	174.7	177.4	0	0	0	0	110.6	V123 C124 L353 N358 K359	V123-C356 CarbonylContact O-C 3.53Å; V123-C356 VanDerWaalsContact O-CA 3.31Å; V123-C356 WeakPolarHBondContact O-CA 3.03Å; C124-C356 VanDerWaalsContact SG-CA 3.54Å; L353-C356 HydrophobicContact CB-CB 3.88Å; L353-C356 HydrophobicContact CD1-CB 3.93Å; C356-N358 PolarHBondContact SG-OD1 2.9Å; C356-K359 HydrophobicContact CB-CD 4.42Å; C356-K359 HydrophobicContact CB-CG 3.92Å; C356-K359 VanDerWaalsContact SG-CG 3.52Å
357	V	97.6	Very high	83.1	Confident	29 Å²	29	71.2 Å²	71.2	18%	0.176	39%	0.386	C	S	.	.	S	Bend	trans	-102.9	4.5	-170.9	-60.5	0	0	0	0	113.6	Y108 I113 V123 N125 N355	Y108-V357 HydrophobicContact CD1-CB 4.41Å; Y108-V357 HydrophobicContact CD1-CG1 4.18Å; Y108-V357 HydrophobicContact CD1-CG2 4.17Å; Y108-V357 HydrophobicContact CD2-CG2 4.44Å; Y108-V357 HydrophobicContact CE1-CB 4.29Å; Y108-V357 HydrophobicContact CE1-CG1 4.07Å; Y108-V357 HydrophobicContact CE1-CG2 4.5Å; Y108-V357 HydrophobicContact CG-CG2 4.14Å; I113-V357 HydrophobicContact CG2-CG2 4.47Å; V123-V357 HydrophobicContact CB-CG2 4.05Å; V123-V357 HydrophobicContact CG1-CG2 3.88Å; V123-V357 WeakPolarHBondContact O-CG2 3.49Å; V123-V357 PolarHBondContact O-N 2.92Å; N125-V357 HydrophobicContact CB-CG1 4.35Å; N355-V357 PolarHBondContact O-N 3.2Å
358	N	97.4	Very high	80.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	42%	0.418	C	S	.	.			trans	-138.4	27.2	-173.7	81.4	-37.3	0	0	0	112.9	I113 G117 I121 V123 C356 E360 F361 F362	I113-N358 HydrophobicContact CB-CB 3.94Å; I113-N358 PolarHBondContact O-ND2 3.3Å; I113-N358 VanDerWaalsContact O-ND2 3.08Å; G117-N358 PolarHBondContact N-ND2 3.36Å; I121-N358 PolarHBondContact O-ND2 2.83Å; V123-N358 HydrophobicContact CB-CB 4.48Å; V123-N358 PolarHBondContact N-OD1 2.86Å; C356-N358 PolarHBondContact SG-OD1 2.9Å; N358-E360 PolarHBondContact O-N 2.8Å; N358-F361 HydrophobicContact CB-CD2 3.93Å; N358-F361 PolarHBondContact O-N 3.35Å; N358-F362 WeakPolarHBondContact O-CD2 3.28Å
359	K	94.1	Very high	77.5	Confident	95 Å²	95	77 Å²	77	41%	0.413	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-59.5	-34.2	-175.7	-68.1	-169.1	-179.9	-170.6	0	112.4	P350 C356 F361 F362	P350-K359 HydrophobicContact CB-CG 4.27Å; P350-K359 HydrophobicContact CG-CG 4.49Å; C356-K359 HydrophobicContact CB-CD 4.42Å; C356-K359 HydrophobicContact CB-CG 3.92Å; C356-K359 VanDerWaalsContact SG-CG 3.52Å; K359-F361 VanDerWaalsContact C-N 3.25Å; K359-F361 PolarHBondContact O-N 3.39Å; K359-F362 WeakPolarHBondContact O-CD2 3.3Å; K359-F362 PolarHBondContact O-N 2.62Å
360	E	91.1	Very high	74.6	Confident	133 Å²	133	85.5 Å²	85.5	62%	0.621	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.3	-20.9	-178.2	63.8	-88.6	-148.9	0	0	114	N358	N358-E360 PolarHBondContact O-N 2.8Å
361	F	89.9	Confident	71.6	Confident	61 Å²	61	93.2 Å²	93.2	27%	0.268	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-92.6	-2.2	-177.2	-58.3	-65.1	0	0	0	113.4	I113 K114 G117 N358 K359 V363	I113-F361 HydrophobicContact CD1-CE2 4.23Å; I113-F361 HydrophobicContact CG1-CE2 4.26Å; K114-F361 HydrophobicContact CB-CD1 4.15Å; K114-F361 HydrophobicContact CB-CD2 4.5Å; K114-F361 HydrophobicContact CB-CE1 4.12Å; K114-F361 HydrophobicContact CB-CE2 4.47Å; K114-F361 HydrophobicContact CB-CG 4.34Å; K114-F361 HydrophobicContact CB-CZ 4.27Å; K114-F361 HydrophobicContact CD-CD1 4.41Å; K114-F361 HydrophobicContact CD-CE1 4.11Å; K114-F361 HydrophobicContact CG-CD1 3.76Å; K114-F361 HydrophobicContact CG-CE1 3.87Å; K114-F361 HydrophobicContact CG-CG 4.31Å; G117-F361 CarbonylContact C-O 3.53Å; G117-F361 VanDerWaalsContact C-O 3.3Å; N358-F361 HydrophobicContact CB-CD2 3.93Å; N358-F361 PolarHBondContact O-N 3.35Å; K359-F361 VanDerWaalsContact C-N 3.25Å; K359-F361 PolarHBondContact O-N 3.39Å; F361-V363 PolarHBondContact O-N 2.86Å
362	F	85.8	Confident	68.8	Low	37 Å²	37	96 Å²	96	16%	0.162	51%	0.506	C	S	.	.	S	Bend	trans	-70.2	121.5	173.9	-77.9	-92.6	0	0	0	110	I25 A122 P350 N358 K359 S364	I25-F362 HydrophobicContact CD1-CD1 3.64Å; I25-F362 HydrophobicContact CD1-CE1 3.3Å; I25-F362 HydrophobicContact CD1-CZ 4.39Å; I25-F362 HydrophobicContact CG1-CD1 4.47Å; I25-F362 HydrophobicContact CG1-CE1 4.1Å; A122-F362 HydrophobicContact CB-CE2 4.38Å; A122-F362 HydrophobicContact CB-CZ 3.78Å; P350-F362 HydrophobicContact CB-CE2 4.36Å; P350-F362 HydrophobicContact CG-CD2 4.43Å; P350-F362 HydrophobicContact CG-CE2 4.43Å; N358-F362 WeakPolarHBondContact O-CD2 3.28Å; K359-F362 WeakPolarHBondContact O-CD2 3.3Å; K359-F362 PolarHBondContact O-N 2.62Å; F362-S364 PolarHBondContact O-N 3.31Å
363	V	71.4	Confident	65.9	Low	93 Å²	93	103 Å²	103	56%	0.564	53%	0.533	S	S	*	.			trans	-66.7	100.9	176.8	-173.7	0	0	0	0	109	Q24 F361 T365	Q24-V363 PolarHBondContact NE2-O 2.94Å; F361-V363 PolarHBondContact O-N 2.86Å; V363-T365 PolarHBondContact O-N 2.84Å; V363-T365 VanDerWaalsContact O-N 3.12Å
364	S	54.7	Low	62.9	Low	109 Å²	109	111.8 Å²	111.8	76%	0.762	57%	0.574	S	S	*	*			trans	-66.5	105.5	166.1	173.9	0	0	0	0	108.1	F362 A366	F362-S364 PolarHBondContact O-N 3.31Å; S364-A366 PolarHBondContact O-N 2.71Å
365	T	45.1	Very low	59.8	Low	80 Å²	80	112.3 Å²	112.3	49%	0.491	58%	0.584	S	S	.	*			trans	-66.2	104.9	159.8	34.6	0	0	0	0	106.7	Q24 V363	Q24-T365 VanDerWaalsContact CD-OG1 3.31Å; Q24-T365 VanDerWaalsContact NE2-CG2 3.27Å; Q24-T365 PolarHBondContact NE2-OG1 3.45Å; Q24-T365 PolarHBondContact OE1-OG1 2.83Å; V363-T365 PolarHBondContact O-N 2.84Å; V363-T365 VanDerWaalsContact O-N 3.12Å
366	A	32	Very low	56.7	Low	70 Å²	70	118.3 Å²	118.3	58%	0.579	61%	0.611	S	S	*	*			trans	-50.5	131.3	158.8	0	0	0	0	0	107	S364 W368	S364-A366 PolarHBondContact O-N 2.71Å; A366-W368 PolarHBondContact O-N 3.38Å; A366-W368 VanDerWaalsContact O-N 3.15Å
367	P	36.2	Very low	53.5	Low	116 Å²	116	123.4 Å²	123.4	75%	0.753	64%	0.644	S	S	*	*			trans	-57.1	127.4	178.8	-19.8	29.6	0	0	0	108.5	G369	P367-G369 PolarHBondContact O-N 3.45Å
368	W	31.6	Very low	50.3	Low	258 Å²	258	130.7 Å²	130.7	98%	0.977	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	37.7	172.8	-94.5	68.2	0	0	0	112.9	A366	A366-W368 PolarHBondContact O-N 3.38Å; A366-W368 VanDerWaalsContact O-N 3.15Å
369	G	35.6	Very low	47.2	Very low	65 Å²	65	137.2 Å²	137.2	67%	0.67	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	4.2	-176.3	0	0	0	0	0	115.2	P367	P367-G369 PolarHBondContact O-N 3.45Å
370	M	33.6	Very low	44.2	Very low	188 Å²	188	141 Å²	141	93%	0.926	73%	0.734	S	S	*	*	S	Bend	trans	-120.2	22.2	-179.5	-76.3	-159.7	151.6	0	0	114.6
371	M	30	Very low	41.6	Very low	184 Å²	184	139.9 Å²	139.9	91%	0.906	74%	0.738	S	S	*	*	S	Bend	trans	-124.3	39	175.7	-108.4	-179.3	177	0	0	112.2
372	E	33	Very low	38.8	Very low	190 Å²	190	145.8 Å²	145.8	89%	0.888	77%	0.767	S	S	*	*	S	Bend	trans	-132.6	13.7	172.3	-119.9	176.5	-166.6	0	0	114.3
373	Q	34.5	Very low	36.1	Very low	196 Å²	196	150.7 Å²	150.7	92%	0.916	79%	0.793	S	S	*	*	S	Bend	trans	-113	9.4	174.8	-98.9	177.7	-0.6	0	0	115.1
374	Q	33.5	Very low	34.1	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	81%	0.807	S	S	*	*			trans	-120.4	22.1	179.6	-88.3	179.6	-2.2	0	0	114.9
375	Q	33.4	Very low	32.8	Very low	194 Å²	194	152.3 Å²	152.3	91%	0.907	81%	0.808	S	S	*	*			trans	-104.2	71	164.1	-74.7	179.7	13.9	0	0	110.4
376	Q	31.4	Very low	31.9	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.822	82%	0.824	S	S	*	*			trans	-105.8	132.5	150.3	-81.5	-174.3	-11.9	0	0	107.6	Q378	Q376-Q378 PolarHBondContact O-N 3.13Å; Q376-Q378 VanDerWaalsContact O-N 3.14Å
377	P	31.1	Very low	31.7	Very low	126 Å²	126	153.7 Å²	153.7	82%	0.818	83%	0.828	S	S	*	*			trans	-67.7	115.5	-179.9	-10.3	24.1	0	0	0	109.7	V379	P377-V379 PolarHBondContact O-N 2.94Å
378	Q	30.3	Very low	31.4	Very low	182 Å²	182	158.8 Å²	158.8	85%	0.85	83%	0.833	S	S	*	*			trans	-72.8	117.9	165.3	-75.1	-148.5	-16.8	0	0	109.4	Q376	Q376-Q378 PolarHBondContact O-N 3.13Å; Q376-Q378 VanDerWaalsContact O-N 3.14Å
379	V	32	Very low	31.2	Very low	137 Å²	137	150.5 Å²	150.5	83%	0.83	82%	0.815	S	S	*	*			trans	-80.2	113.7	168.5	-177.8	0	0	0	0	107.4	P377	P377-V379 PolarHBondContact O-N 2.94Å
380	H	31.2	Very low	30.8	Very low	174 Å²	174	158.1 Å²	158.1	81%	0.806	82%	0.823	S	S	*	*			trans	-65.8	133.1	173.3	-97.2	-82.1	0	0	0	110.7
381	P	36.6	Very low	30.5	Very low	109 Å²	109	154.9 Å²	154.9	71%	0.708	81%	0.814	S	S	*	*			trans	-94.9	127	171.8	33.4	-25.1	0	0	0	109.6
382	E	32.3	Very low	30.5	Very low	186 Å²	186	152.6 Å²	152.6	87%	0.869	81%	0.805	S	S	*	*			trans	-169.2	148.3	141.9	-111.4	173.1	-153.2	0	0	112.5
383	I	28.9	Very low	30.3	Very low	140 Å²	140	151 Å²	151	72%	0.718	80%	0.798	S	S	*	*			trans	104	104.4	161.7	-46.8	-174.5	0	0	0	117.4
384	N	28.8	Very low	30	Very low	160 Å²	160	147.1 Å²	147.1	86%	0.856	79%	0.788	S	S	*	*			trans	78.9	129.1	145.5	-70.4	-10.5	0	0	0	121.3
385	G	26.9	Very low	29.8	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	78%	0.781	S	S	*	*			trans	144.2	103.4	143.2	0	0	0	0	0	114.1
386	A	27.3	Very low	29.6	Very low	99 Å²	99	143.2 Å²	143.2	82%	0.818	78%	0.781	S	S	*	*			trans	-60.7	158.8	172.3	0	0	0	0	0	113.7
387	A	28.5	Very low	29.5	Very low	80 Å²	80	141.9 Å²	141.9	66%	0.661	78%	0.775	S	S	*	*			trans	69.6	116.4	156.3	0	0	0	0	0	117.7
388	Y	28.7	Very low	29.4	Very low	222 Å²	222	140.2 Å²	140.2	87%	0.871	77%	0.772	S	S	*	*				178	142.5	96.4	-105.5	-87.6	0	0	0	111.9
389	S	27.8	Very low	29.4	Very low	84 Å²	84	138.5 Å²	138.5	59%	0.587	77%	0.767	S	S	*	*			trans	-39	162.8	169.5	62.8	0	0	0	0	119.9
390	R	28	Very low	29.4	Very low	226 Å²	226	136.1 Å²	136.1	85%	0.853	76%	0.762	S	S	*	*			trans	115.6	105.4	146.7	-68.8	-176.8	-167.7	-167.3	3.4	113.3
391	V	27.4	Very low	29.3	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	77%	0.766	S	S	*	*				88.5	122.6	65.9	167.9	0	0	0	0	112.4
392	N	28.4	Very low	28.9	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	77%	0.774	S	S	*	*			trans	71	142.1	157.6	-78	-7.1	0	0	0	117.9
393	Q	29.6	Very low	28.6	Very low	156 Å²	156	129 Å²	129	73%	0.729	78%	0.775	S	S	*	*			cis	-166.3	142.8	32.2	-137.2	157.8	4.1	0	0	112.3
394	T	28.9	Very low	28.7	Very low	116 Å²	116	130.5 Å²	130.5	71%	0.712	78%	0.781	S	S	*	*			trans	59.3	111.7	141.7	44.9	0	0	0	0	120.6
395	M	28.6	Very low	28.9	Very low	154 Å²	154	130.8 Å²	130.8	76%	0.759	78%	0.778	S	S	*	*				60.7	111.3	79.3	-88.5	-165	163.9	0	0	114.8
396	V	29.7	Very low	29.1	Very low	149 Å²	149	133.5 Å²	133.5	90%	0.903	77%	0.774	S	S	*	*				-143.1	122.7	119.6	177.2	0	0	0	0	108.5
397	Q	29.6	Very low	29.5	Very low	149 Å²	149	137.2 Å²	137.2	70%	0.696	77%	0.772	S	S	*	*			trans	-86.7	150.8	166.5	-75.7	173.5	-59	0	0	110.9
398	A	28.6	Very low	29.8	Very low	91 Å²	91	139.3 Å²	139.3	75%	0.752	77%	0.771	S	S	*	*			trans	-169.6	101.9	131.4	0	0	0	0	0	107.8
399	I	30.2	Very low	30.1	Very low	146 Å²	146	138.1 Å²	138.1	75%	0.749	77%	0.767	S	S	*	*				58.1	98	91.4	-58	172.8	0	0	0	110.4
400	A	31	Very low	30.9	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	80%	0.799	S	S	*	*				73.8	114.8	64.3	0	0	0	0	0	114.9
401	T	29.4	Very low	31	Very low	147 Å²	147	139.8 Å²	139.8	90%	0.902	80%	0.796	S	S	*	*			trans	-171.5	122.9	145.2	44.8	0	0	0	0	105.1
402	G	27.6	Very low	31.2	Very low	84 Å²	84	140.8 Å²	140.8	87%	0.866	80%	0.8	S	S	*	*			cis	104	119.6	37.8	0	0	0	0	0	108.5
403	G	27.3	Very low	31.4	Very low	87 Å²	87	141.2 Å²	141.2	90%	0.897	80%	0.804	S	S	*	*			trans	156.1	108.5	167.3	0	0	0	0	0	116.2
404	M	30.8	Very low	31.5	Very low	172 Å²	172	140.3 Å²	140.3	85%	0.847	81%	0.808	S	S	*	*			trans	-82.1	167.8	176.2	-81.2	175.5	170	0	0	114.1
405	Q	32.7	Very low	31.7	Very low	166 Å²	166	141.8 Å²	141.8	78%	0.776	81%	0.814	S	S	*	*			trans	79.5	119.3	143.5	-86.5	168.9	-10.1	0	0	120.7
406	D	30.7	Very low	31.9	Very low	133 Å²	133	141 Å²	141	71%	0.711	82%	0.818	S	S	*	*				167.5	124.5	101	-96.3	-24.8	0	0	0	109.7
407	K	36	Very low	32	Very low	177 Å²	177	140.4 Å²	140.4	77%	0.77	81%	0.812	S	S	*	*				69.6	121	89.1	-91.3	-168.1	177.5	177.6	0	117.1
408	L	34.2	Very low	32.2	Very low	124 Å²	124	139.8 Å²	139.8	65%	0.649	82%	0.821	S	S	*	*			trans	64.4	152.8	157.9	-71.3	89.5	0	0	0	117.2
409	Y	35.2	Very low	32.5	Very low	197 Å²	197	143.8 Å²	143.8	77%	0.773	83%	0.827	S	S	*	*			cis	-154.2	156.7	28.6	-112.8	-80.5	0	0	0	111.5
410	T	44.9	Very low	32.7	Very low	206 Å²	206	143.6 Å²	143.6	100%	1.264	83%	0.834	S	S	*	*			trans	72.9	0	157.9	30	0	0	0	0	120.9

Retrieved 410 of 410 residues in 666.8 ms (Link to these results)

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