A0A096N0G3_PAPAN Loading...

Dual specificity protein phosphatase 19

Has a dual specificity toward Ser/Thr and Tyr-containing proteins.

AlphaFold DB , UniProt , Accession A0A096N0G3, Species PAPAN (Papio anubis, Olive baboon), Gene DUSP19, Length 217 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	51.9	Low	71.3	Confident	247 Å²	247	127.2 Å²	127.2	100%	1.217	65%	0.649	S	S	*	*				0	106.4	0	-76.9	177.1	162.5	0	0	107.5
2	H	60.6	Low	71.4	Confident	151 Å²	151	121 Å²	121	70%	0.699	63%	0.626	S	S	*	*			trans	-69.9	133.3	173.6	-83.4	-65.9	0	0	0	109	Q6	H2-Q6 PolarHBondContact ND1-OE1 2.98Å; H2-Q6 VanDerWaalsContact ND1-OE1 3.13Å
3	S	79.4	Confident	71	Confident	60 Å²	60	125.9 Å²	125.9	42%	0.42	63%	0.631	S	S	.	*			trans	-74.4	140	175.6	175.9	0	0	0	0	108.9	N5 Q6 E7	S3-N5 PolarHBondContact O-N 2.98Å; S3-N5 PolarHBondContact OG-N 3.3Å; S3-Q6 WeakPolarHBondContact O-CA 3.33Å; S3-Q6 WeakPolarHBondContact O-CB 3.18Å; S3-Q6 PolarHBondContact O-N 2.84Å; S3-E7 PolarHBondContact O-N 3.45Å
4	L	73	Confident	70.7	Confident	121 Å²	121	127.4 Å²	127.4	63%	0.634	64%	0.642	S	S	*	*	H	α-helix	trans	-47.4	-34.5	171.7	-177.9	66.3	0	0	0	112.4	Q6 E7 I8	L4-Q6 VanDerWaalsContact C-N 3.33Å; L4-Q6 PolarHBondContact O-N 3.4Å; L4-E7 PolarHBondContact O-N 2.9Å; L4-I8 HydrophobicContact CG-CD1 4.05Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 2.97Å
5	N	74.1	Confident	70.7	Confident	109 Å²	109	126.7 Å²	126.7	58%	0.583	64%	0.641	S	S	*	*	H	α-helix	trans	-66.8	-30	176.2	-84	-39.8	0	0	0	114	S3 K9	S3-N5 PolarHBondContact O-N 2.98Å; S3-N5 PolarHBondContact OG-N 3.3Å; N5-K9 VanDerWaalsContact O-CG 3.31Å; N5-K9 WeakPolarHBondContact O-CG 3.38Å; N5-K9 PolarHBondContact O-N 3.32Å
6	Q	74.6	Confident	70.4	Confident	109 Å²	109	125.1 Å²	125.1	51%	0.509	63%	0.634	S	S	.	*	H	α-helix	trans	-75.4	-38.5	174.7	-71.2	179.3	-25	0	0	111	H2 S3 L4 K9 A10	H2-Q6 PolarHBondContact ND1-OE1 2.98Å; H2-Q6 VanDerWaalsContact ND1-OE1 3.13Å; S3-Q6 WeakPolarHBondContact O-CA 3.33Å; S3-Q6 WeakPolarHBondContact O-CB 3.18Å; S3-Q6 PolarHBondContact O-N 2.84Å; L4-Q6 VanDerWaalsContact C-N 3.33Å; L4-Q6 PolarHBondContact O-N 3.4Å; Q6-K9 PolarHBondContact O-N 3.46Å; Q6-A10 WeakPolarHBondContact O-CB 3.31Å; Q6-A10 PolarHBondContact O-N 3.35Å
7	E	75.4	Confident	70.5	Confident	114 Å²	114	130.6 Å²	130.6	53%	0.533	65%	0.646	S	S	.	*	H	α-helix	trans	-64.2	-43.4	176	-71.3	177.3	-171.9	0	0	111.7	S3 L4 K9 A10 F11	S3-E7 PolarHBondContact O-N 3.45Å; L4-E7 PolarHBondContact O-N 2.9Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.88Å; E7-A10 PolarHBondContact O-N 3.48Å; E7-F11 WeakPolarHBondContact O-CB 3.38Å; E7-F11 PolarHBondContact O-N 3.43Å
8	I	73.4	Confident	70.7	Confident	107 Å²	107	134.8 Å²	134.8	55%	0.549	66%	0.659	S	S	.	*	H	α-helix	trans	-62	-40.4	176.1	-67	166.8	0	0	0	111.3	L4	L4-I8 HydrophobicContact CG-CD1 4.05Å; L4-I8 VanDerWaalsContact O-CG1 3.3Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 2.97Å
9	K	72.5	Confident	70.3	Confident	185 Å²	185	134.5 Å²	134.5	80%	0.804	66%	0.656	S	S	*	*	H	α-helix	trans	-72.1	-31.2	178.8	-74.2	-179.3	-177.9	-174.9	0	113.2	N5 Q6 E7	N5-K9 VanDerWaalsContact O-CG 3.31Å; N5-K9 WeakPolarHBondContact O-CG 3.38Å; N5-K9 PolarHBondContact O-N 3.32Å; Q6-K9 PolarHBondContact O-N 3.46Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.88Å
10	A	75.9	Confident	70.6	Confident	86 Å²	86	132.1 Å²	132.1	71%	0.711	65%	0.653	S	S	*	*	H	α-helix	trans	-84.6	-13.4	178.1	0	0	0	0	0	113.1	Q6 E7 S12	Q6-A10 WeakPolarHBondContact O-CB 3.31Å; Q6-A10 PolarHBondContact O-N 3.35Å; E7-A10 PolarHBondContact O-N 3.48Å; A10-S12 PolarHBondContact O-N 3.01Å
11	F	73.2	Confident	70.8	Confident	110 Å²	110	129.3 Å²	129.3	48%	0.482	64%	0.643	S	S	.	*			trans	-70.3	117.4	-176.9	-166.1	-90.9	0	0	0	111.8	E7 R13 N15 L16	E7-F11 WeakPolarHBondContact O-CB 3.38Å; E7-F11 PolarHBondContact O-N 3.43Å; F11-R13 PolarHBondContact O-N 3.04Å; F11-N15 HydrophobicContact CE1-CB 4.15Å; F11-N15 HydrophobicContact CZ-CB 3.89Å; F11-L16 HydrophobicContact CD1-CD2 4.3Å; F11-L16 HydrophobicContact CE1-CD2 3.58Å; F11-L16 HydrophobicContact CE1-CG 3.88Å; F11-L16 HydrophobicContact CZ-CD2 4.39Å
12	S	72.9	Confident	72.2	Confident	53 Å²	53	125.9 Å²	125.9	37%	0.371	62%	0.617	S	S	.	*			trans	-68.7	123.2	175.3	-179.2	0	0	0	0	110.7	A10 N14 N15	A10-S12 PolarHBondContact O-N 3.01Å; S12-N14 PolarHBondContact O-N 2.57Å; S12-N14 VanDerWaalsContact O-N 3.08Å; S12-N14 PolarHBondContact OG-N 3.12Å; S12-N15 WeakPolarHBondContact O-CB 3.43Å; S12-N15 PolarHBondContact O-N 2.78Å
13	R	66.3	Low	72.9	Confident	185 Å²	185	120.9 Å²	120.9	70%	0.698	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-60.2	-19.9	175.6	-61.8	178.6	84.3	156.6	3.4	112.6	F11 N15 L16	F11-R13 PolarHBondContact O-N 3.04Å; R13-N15 PolarHBondContact O-N 3.28Å; R13-L16 HydrophobicContact CB-CD1 4.19Å; R13-L16 HydrophobicContact CG-CD1 4.43Å; R13-L16 WeakPolarHBondContact O-CB 3.38Å; R13-L16 PolarHBondContact O-N 2.64Å
14	N	67.1	Low	72.8	Confident	147 Å²	147	121.2 Å²	121.2	79%	0.786	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-68.9	-17.6	175.5	-65.2	-9.4	0	0	0	113.2	S12	S12-N14 PolarHBondContact O-N 2.57Å; S12-N14 VanDerWaalsContact O-N 3.08Å; S12-N14 PolarHBondContact OG-N 3.12Å
15	N	69.8	Low	72.8	Confident	116 Å²	116	117.5 Å²	117.5	62%	0.62	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-91.8	-1.3	177.3	-64.9	-20.1	0	0	0	112.9	F11 S12 R13	F11-N15 HydrophobicContact CE1-CB 4.15Å; F11-N15 HydrophobicContact CZ-CB 3.89Å; S12-N15 WeakPolarHBondContact O-CB 3.43Å; S12-N15 PolarHBondContact O-N 2.78Å; R13-N15 PolarHBondContact O-N 3.28Å
16	L	66.7	Low	72.2	Confident	101 Å²	101	120.9 Å²	120.9	53%	0.529	60%	0.596	S	S	.	*	S	Bend	trans	-70.4	139	175	-67.1	170.7	0	0	0	110.1	F11 R13 K18	F11-L16 HydrophobicContact CD1-CD2 4.3Å; F11-L16 HydrophobicContact CE1-CD2 3.58Å; F11-L16 HydrophobicContact CE1-CG 3.88Å; F11-L16 HydrophobicContact CZ-CD2 4.39Å; R13-L16 HydrophobicContact CB-CD1 4.19Å; R13-L16 HydrophobicContact CG-CD1 4.43Å; R13-L16 WeakPolarHBondContact O-CB 3.38Å; R13-L16 PolarHBondContact O-N 2.64Å; L16-K18 PolarHBondContact O-N 3.06Å
17	R	71.6	Confident	71.9	Confident	220 Å²	220	121.1 Å²	121.1	83%	0.83	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.8	168.7	-72.4	-176.2	-179.8	-176.9	0.5	108.4	Q19	R17-Q19 PolarHBondContact O-N 2.8Å; R17-Q19 VanDerWaalsContact O-N 3.12Å
18	K	74.6	Confident	71.3	Confident	205 Å²	205	116.8 Å²	116.8	89%	0.891	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.1	116.8	172.5	-64.6	-179.6	-178.3	176.2	0	107.7	L16	L16-K18 PolarHBondContact O-N 3.06Å
19	Q	63.3	Low	71.2	Confident	129 Å²	129	116.6 Å²	116.6	60%	0.603	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-103.4	135.9	175.7	-67.7	-63	-30.9	0	0	108.7	R17	R17-Q19 PolarHBondContact O-N 2.8Å; R17-Q19 VanDerWaalsContact O-N 3.12Å
20	C	76.2	Confident	71.4	Confident	87 Å²	87	111.1 Å²	111.1	59%	0.588	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.4	132.5	165.6	60.4	0	0	0	0	108.3	I32 E33	C20-I32 HydrophobicContact CB-CG2 4Å; C20-E33 WeakPolarHBondContact CA-O 3.31Å
21	T	74.9	Confident	71.7	Confident	73 Å²	73	108.5 Å²	108.5	45%	0.448	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.5	175.3	-54.6	0	0	0	0	107.9	V23 E33	T21-V23 HydrophobicContact CG2-CG2 4.02Å; T21-E33 PolarHBondContact N-O 3.33Å; T21-E33 PolarHBondContact O-N 2.92Å
22	R	81.4	Confident	72.1	Confident	175 Å²	175	105.6 Å²	105.6	66%	0.66	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.9	170.4	-172.3	176.9	67.5	-172.9	0.2	108.5	I31	R22-I31 CarbonylContact C-O 3.57Å; R22-I31 WeakPolarHBondContact CA-O 3.46Å
23	V	75.5	Confident	72.4	Confident	46 Å²	46	105.9 Å²	105.9	28%	0.279	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.3	179.1	-178.5	0	0	0	0	108.5	T21 K30 I31 E33	T21-V23 HydrophobicContact CG2-CG2 4.02Å; V23-K30 WeakPolarHBondContact O-CA 3.28Å; V23-I31 HydrophobicContact CB-CB 4.46Å; V23-I31 PolarHBondContact N-O 2.85Å; V23-I31 PolarHBondContact O-N 3.18Å; V23-E33 HydrophobicContact CG2-CG 3.99Å
24	T	77	Confident	73	Confident	68 Å²	68	98.9 Å²	98.9	42%	0.417	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	168.9	-54.3	0	0	0	0	108	K29	T24-K29 CarbonylContact C-O 3.6Å; T24-K29 WeakPolarHBondContact CA-O 3.38Å
25	T	71.7	Confident	73	Confident	42 Å²	42	99.2 Å²	99.2	26%	0.258	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-73.6	165.8	178.6	67.6	0	0	0	0	111.2	T27 G28 K29 I31	T25-T27 PolarHBondContact O-N 3.01Å; T25-T27 VanDerWaalsContact O-N 3.07Å; T25-T27 PolarHBondContact OG1-N 3.12Å; T25-T27 PolarHBondContact OG1-OG1 3.08Å; T25-G28 PolarHBondContact O-N 3.23Å; T25-K29 HydrophobicContact CG2-CB 4.22Å; T25-K29 PolarHBondContact N-O 3.38Å; T25-K29 WeakPolarHBondContact OG1-CB 3.19Å; T25-K29 PolarHBondContact OG1-N 3.18Å; T25-K29 VanDerWaalsContact OG1-N 3.09Å; T25-K29 PolarHBondContact OG1-O 3.05Å; T25-I31 HydrophobicContact CG2-CD1 3.6Å; T25-I31 HydrophobicContact CG2-CG1 4.36Å
26	L	61.9	Low	73.1	Confident	181 Å²	181	99.6 Å²	99.6	95%	0.948	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.3	171.2	-62.6	176.6	0	0	0	113.1	G28	L26-G28 VanDerWaalsContact C-N 3.34Å
27	T	69.3	Low	73	Confident	113 Å²	113	101.8 Å²	101.8	69%	0.693	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	3.5	177	57.8	0	0	0	0	113.3	T25 K29	T25-T27 PolarHBondContact O-N 3.01Å; T25-T27 VanDerWaalsContact O-N 3.07Å; T25-T27 PolarHBondContact OG1-N 3.12Å; T25-T27 PolarHBondContact OG1-OG1 3.08Å; T27-K29 VanDerWaalsContact C-N 3.28Å; T27-K29 PolarHBondContact O-N 2.87Å
28	G	62	Low	72.6	Confident	23 Å²	23	95 Å²	95	24%	0.237	49%	0.488	C	S	.	.	S	Bend	trans	82.1	-1.7	-178.3	0	0	0	0	0	114.5	T25 L26 K30	T25-G28 PolarHBondContact O-N 3.23Å; L26-G28 VanDerWaalsContact C-N 3.34Å; G28-K30 PolarHBondContact O-N 3.18Å
29	K	72.1	Confident	72	Confident	103 Å²	103	93.9 Å²	93.9	45%	0.448	48%	0.478	S	S	.	.			trans	-68.6	131.3	177.7	-65.2	-177.9	163.2	-147.8	0	110.1	T24 T25 T27 E44	T24-K29 CarbonylContact C-O 3.6Å; T24-K29 WeakPolarHBondContact CA-O 3.38Å; T25-K29 HydrophobicContact CG2-CB 4.22Å; T25-K29 PolarHBondContact N-O 3.38Å; T25-K29 WeakPolarHBondContact OG1-CB 3.19Å; T25-K29 PolarHBondContact OG1-N 3.18Å; T25-K29 VanDerWaalsContact OG1-N 3.09Å; T25-K29 PolarHBondContact OG1-O 3.05Å; T27-K29 VanDerWaalsContact C-N 3.28Å; T27-K29 PolarHBondContact O-N 2.87Å; K29-E44 WeakPolarHBondContact CD-OE1 3.07Å; K29-E44 WeakPolarHBondContact CE-OE1 3.48Å; K29-E44 IonicContact NZ-OE1 2.92Å; K29-E44 PolarHBondContact NZ-OE1 3.31Å
30	K	75.2	Confident	72.3	Confident	70 Å²	70	91.5 Å²	91.5	30%	0.304	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.2	174.3	-65.6	175.9	-168	124	0	110.1	V23 G28 E45 E47	V23-K30 WeakPolarHBondContact O-CA 3.28Å; G28-K30 PolarHBondContact O-N 3.18Å; K30-E45 HydrophobicContact CB-CB 4.24Å; K30-E45 WeakPolarHBondContact CB-OE2 3.39Å; K30-E45 PolarHBondContact O-N 2.95Å; K30-E47 IonicContact NZ-OE1 3.57Å; K30-E47 PolarHBondContact NZ-OE1 3.25Å
31	I	82.1	Confident	72.1	Confident	31 Å²	31	92 Å²	92	16%	0.159	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.4	-174.5	-57.7	178.3	0	0	0	107.9	R22 V23 T25 V42	R22-I31 CarbonylContact C-O 3.57Å; R22-I31 WeakPolarHBondContact CA-O 3.46Å; V23-I31 HydrophobicContact CB-CB 4.46Å; V23-I31 PolarHBondContact N-O 2.85Å; V23-I31 PolarHBondContact O-N 3.18Å; T25-I31 HydrophobicContact CG2-CD1 3.6Å; T25-I31 HydrophobicContact CG2-CG1 4.36Å; I31-V42 HydrophobicContact CG2-CB 4.41Å; I31-V42 HydrophobicContact CG2-CG1 3.11Å
32	I	81.8	Confident	71.8	Confident	50 Å²	50	92.6 Å²	92.6	26%	0.256	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.5	171.6	-54.7	179.5	0	0	0	108.3	C20 V43 E45	C20-I32 HydrophobicContact CB-CG2 4Å; I32-V43 PolarHBondContact N-O 3.49Å; I32-V43 PolarHBondContact O-N 3.25Å; I32-E45 HydrophobicContact CD1-CG 4.14Å; I32-E45 HydrophobicContact CG1-CG 4.17Å
33	E	80.1	Confident	71.6	Confident	58 Å²	58	88.6 Å²	88.6	27%	0.271	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	170.2	-64.6	-171.8	155.3	0	0	109.5	C20 T21 V23 I40	C20-E33 WeakPolarHBondContact CA-O 3.31Å; T21-E33 PolarHBondContact N-O 3.33Å; T21-E33 PolarHBondContact O-N 2.92Å; V23-E33 HydrophobicContact CG2-CG 3.99Å; E33-I40 HydrophobicContact CB-CG2 4.35Å; E33-I40 HydrophobicContact CG-CG2 4.41Å
34	T	78.8	Confident	71.3	Confident	39 Å²	39	91.6 Å²	91.6	24%	0.239	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130	172.7	-53.7	0	0	0	0	109.7	K36 H41	T34-K36 HydrophobicContact CG2-CG 4.33Å; T34-H41 PolarHBondContact N-O 3.37Å; T34-H41 PolarHBondContact O-N 3.46Å
35	W	67.7	Low	70.8	Confident	153 Å²	153	92 Å²	92	58%	0.58	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.8	173.2	-71.4	78.6	0	0	0	110.1	I40	W35-I40 HydrophobicContact CD2-CG1 4Å; W35-I40 HydrophobicContact CE3-CG1 4.05Å; W35-I40 HydrophobicContact CH2-CD1 3.79Å; W35-I40 HydrophobicContact CH2-CG1 3.72Å; W35-I40 HydrophobicContact CZ2-CD1 3.6Å; W35-I40 HydrophobicContact CZ2-CG1 3.64Å; W35-I40 HydrophobicContact CZ3-CD1 4.47Å; W35-I40 HydrophobicContact CZ3-CG1 3.92Å
36	K	70.4	Confident	70	Confident	124 Å²	124	96.8 Å²	96.8	54%	0.539	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.9	169.1	-65.3	-177.6	177.9	176.9	0	109.6	T34 A38 R39	T34-K36 HydrophobicContact CG2-CG 4.33Å; K36-A38 VanDerWaalsContact C-N 3.28Å; K36-A38 PolarHBondContact O-N 3.1Å; K36-A38 VanDerWaalsContact O-N 3.16Å; K36-R39 PolarHBondContact N-O 2.87Å; K36-R39 CarbonylContact O-C 3.4Å; K36-R39 WeakPolarHBondContact O-CA 3.13Å; K36-R39 PolarHBondContact O-N 2.89Å
37	D	65.4	Low	69.7	Low	147 Å²	147	92.4 Å²	92.4	79%	0.786	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.4	173.8	-52.5	-35.4	0	0	0	114.5	R39	D37-R39 PolarHBondContact O-N 3.09Å; D37-R39 VanDerWaalsContact O-N 3.1Å
38	A	63.2	Low	68.6	Low	78 Å²	78	92.3 Å²	92.3	65%	0.645	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	16.3	-176.1	0	0	0	0	0	115.2	K36	K36-A38 VanDerWaalsContact C-N 3.28Å; K36-A38 PolarHBondContact O-N 3.1Å; K36-A38 VanDerWaalsContact O-N 3.16Å
39	R	62.6	Low	68.1	Low	181 Å²	181	97.1 Å²	97.1	68%	0.683	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.1	171.6	-70.7	-174.4	-105.3	-154.8	-2.4	110.3	K36 D37	K36-R39 PolarHBondContact N-O 2.87Å; K36-R39 CarbonylContact O-C 3.4Å; K36-R39 WeakPolarHBondContact O-CA 3.13Å; K36-R39 PolarHBondContact O-N 2.89Å; D37-R39 PolarHBondContact O-N 3.09Å; D37-R39 VanDerWaalsContact O-N 3.1Å
40	I	69.1	Low	67	Low	79 Å²	79	97.2 Å²	97.2	41%	0.405	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.3	172.3	-58.7	173.7	0	0	0	106.9	E33 W35 V42	E33-I40 HydrophobicContact CB-CG2 4.35Å; E33-I40 HydrophobicContact CG-CG2 4.41Å; W35-I40 HydrophobicContact CD2-CG1 4Å; W35-I40 HydrophobicContact CE3-CG1 4.05Å; W35-I40 HydrophobicContact CH2-CD1 3.79Å; W35-I40 HydrophobicContact CH2-CG1 3.72Å; W35-I40 HydrophobicContact CZ2-CD1 3.6Å; W35-I40 HydrophobicContact CZ2-CG1 3.64Å; W35-I40 HydrophobicContact CZ3-CD1 4.47Å; W35-I40 HydrophobicContact CZ3-CG1 3.92Å; I40-V42 HydrophobicContact CG2-CG2 3.79Å
41	H	71.2	Confident	65.9	Low	97 Å²	97	97.3 Å²	97.3	45%	0.449	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.5	166.9	-77.7	-88.6	0	0	0	108.8	T34	T34-H41 PolarHBondContact N-O 3.37Å; T34-H41 PolarHBondContact O-N 3.46Å
42	V	70.4	Confident	64.3	Low	86 Å²	86	100.5 Å²	100.5	52%	0.521	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	116.5	-175.6	-174.9	0	0	0	0	107	I31 I40	I31-V42 HydrophobicContact CG2-CB 4.41Å; I31-V42 HydrophobicContact CG2-CG1 3.11Å; I40-V42 HydrophobicContact CG2-CG2 3.79Å
43	V	77	Confident	62.8	Low	92 Å²	92	100.8 Å²	100.8	56%	0.558	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	174.1	-174.7	0	0	0	0	107.9	I32	I32-V43 PolarHBondContact N-O 3.49Å; I32-V43 PolarHBondContact O-N 3.25Å
44	E	67.8	Low	61.4	Low	109 Å²	109	103 Å²	103	51%	0.509	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.2	123	173.6	-166.5	168.9	-165.1	0	0	108.3	K29 V46	K29-E44 WeakPolarHBondContact CD-OE1 3.07Å; K29-E44 WeakPolarHBondContact CE-OE1 3.48Å; K29-E44 IonicContact NZ-OE1 2.92Å; K29-E44 PolarHBondContact NZ-OE1 3.31Å; E44-V46 PolarHBondContact O-N 3.36Å
45	E	67.5	Low	60	Low	77 Å²	77	104 Å²	104	36%	0.36	63%	0.633	S	S	.	*			trans	-69.3	119.9	170.5	-78.5	-174.6	162	0	0	107.8	K30 I32 E47	K30-E45 HydrophobicContact CB-CB 4.24Å; K30-E45 WeakPolarHBondContact CB-OE2 3.39Å; K30-E45 PolarHBondContact O-N 2.95Å; I32-E45 HydrophobicContact CD1-CG 4.14Å; I32-E45 HydrophobicContact CG1-CG 4.17Å; E45-E47 PolarHBondContact O-N 2.93Å; E45-E47 VanDerWaalsContact O-N 3.12Å
46	V	54.3	Low	59.5	Low	142 Å²	142	106.4 Å²	106.4	86%	0.861	64%	0.643	S	S	*	*			trans	-71	106.2	169.5	-177.8	0	0	0	0	107.1	E44	E44-V46 PolarHBondContact O-N 3.36Å
47	E	56.3	Low	59	Low	89 Å²	89	107.3 Å²	107.3	42%	0.416	66%	0.659	S	S	.	*			trans	-63	138.5	178.1	-70	-123.4	135.4	0	0	111.2	K30 E45 S49	K30-E47 IonicContact NZ-OE1 3.57Å; K30-E47 PolarHBondContact NZ-OE1 3.25Å; E45-E47 PolarHBondContact O-N 2.93Å; E45-E47 VanDerWaalsContact O-N 3.12Å; E47-S49 PolarHBondContact O-N 2.9Å
48	P	46.8	Very low	58.3	Low	110 Å²	110	107.9 Å²	107.9	71%	0.714	66%	0.657	S	S	*	*			trans	-63.6	128.6	154.4	-6.6	22.5	0	0	0	107.7	S50	P48-S50 PolarHBondContact O-N 2.85Å
49	S	49.7	Very low	58.4	Low	124 Å²	124	110.2 Å²	110.2	87%	0.867	66%	0.659	S	S	*	*	S	Bend	trans	-57.3	96.6	-179.9	52.6	0	0	0	0	112.8	E47	E47-S49 PolarHBondContact O-N 2.9Å
50	S	50.8	Low	58.9	Low	105 Å²	105	108.8 Å²	108.8	73%	0.734	66%	0.664	S	S	*	*			trans	-168.7	105.3	159.2	40.6	0	0	0	0	112.8	P48	P48-S50 PolarHBondContact O-N 2.85Å
51	G	51.3	Low	59.5	Low	73 Å²	73	108.8 Å²	108.8	75%	0.753	67%	0.671	S	S	*	*			trans	90.9	102.5	149.4	0	0	0	0	0	116.7	G53	G51-G53 PolarHBondContact O-N 2.96Å
52	G	49.2	Very low	60.2	Low	98 Å²	98	108 Å²	108	100%	1.01	68%	0.676	S	S	*	*			trans	-64.8	87.9	172.3	0	0	0	0	0	113.2
53	G	49.9	Very low	61.2	Low	55 Å²	55	106.4 Å²	106.4	57%	0.567	67%	0.665	S	S	*	*			trans	-104.4	130.5	171.1	0	0	0	0	0	111.4	G51	G51-G53 PolarHBondContact O-N 2.96Å
54	C	49.8	Very low	62.1	Low	104 Å²	104	105.5 Å²	105.5	70%	0.703	66%	0.656	S	S	*	*			trans	-59.6	158	172.1	-135.5	0	0	0	0	111	Y56	C54-Y56 PolarHBondContact O-N 3.03Å
55	G	50.8	Low	63.4	Low	62 Å²	62	104.8 Å²	104.8	64%	0.639	65%	0.653	S	S	*	*	S	Bend	trans	-66.3	33.5	-170.4	0	0	0	0	0	118.3
56	Y	55.9	Low	64.9	Low	202 Å²	202	102.3 Å²	102.3	79%	0.792	64%	0.643	S	S	*	*	S	Bend	trans	-120.2	141.1	170.3	-61.2	-83.7	0	0	0	109.1	C54 Q58	C54-Y56 PolarHBondContact O-N 3.03Å; Y56-Q58 PolarHBondContact O-N 3.45Å
57	V	60.6	Low	67	Low	144 Å²	144	95.6 Å²	95.6	87%	0.873	60%	0.602	S	S	*	*			trans	-73.2	113.3	168.1	-177.6	0	0	0	0	106.4	D59	V57-D59 PolarHBondContact O-N 3.38Å; V57-D59 VanDerWaalsContact O-N 3.11Å
58	Q	51.3	Low	69	Low	158 Å²	158	95.1 Å²	95.1	74%	0.738	61%	0.606	S	S	*	*			trans	-67.3	108.8	169.4	-74.5	180	-5.3	0	0	107.7	Y56 L60	Y56-Q58 PolarHBondContact O-N 3.45Å; Q58-L60 HydrophobicContact CB-CG 4.47Å; Q58-L60 PolarHBondContact O-N 3.14Å
59	D	64.1	Low	71.4	Confident	127 Å²	127	90.4 Å²	90.4	68%	0.679	57%	0.574	S	S	*	*			trans	-75.9	107.9	165.8	-170.9	-3.2	0	0	0	107.6	V57 S61	V57-D59 PolarHBondContact O-N 3.38Å; V57-D59 VanDerWaalsContact O-N 3.11Å; D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 VanDerWaalsContact CG-OG 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.47Å; D59-S61 PolarHBondContact OD1-N 3.29Å; D59-S61 PolarHBondContact OD1-OG 2.85Å; D59-S61 PolarHBondContact OD2-OG 2.88Å
60	L	72.9	Confident	73.7	Confident	151 Å²	151	87 Å²	87	79%	0.791	54%	0.544	S	S	*	.			trans	-93.3	8.6	178.6	-64.7	170.3	0	0	0	111.5	Q58	Q58-L60 HydrophobicContact CB-CG 4.47Å; Q58-L60 PolarHBondContact O-N 3.14Å
61	S	81.1	Confident	76	Confident	79 Å²	79	87.4 Å²	87.4	55%	0.552	54%	0.544	S	S	*	.			trans	-69.6	136.6	177.2	67.1	0	0	0	0	110.8	D59	D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 VanDerWaalsContact CG-OG 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.47Å; D59-S61 PolarHBondContact OD1-N 3.29Å; D59-S61 PolarHBondContact OD1-OG 2.85Å; D59-S61 PolarHBondContact OD2-OG 2.88Å
62	S	85.8	Confident	78.2	Confident	80 Å²	80	86.4 Å²	86.4	56%	0.559	52%	0.517	S	S	*	.			trans	-66.2	131.9	175.7	-58.5	0	0	0	0	110.6	L64	S62-L64 PolarHBondContact O-N 3.18Å
63	D	92.6	Very high	80.6	Confident	53 Å²	53	81.7 Å²	81.7	28%	0.283	47%	0.469	S	S	.	.			trans	-82.7	81.8	176.3	177.4	14.1	0	0	0	110.6	Q65 S77 D79 R184	D63-Q65 PolarHBondContact O-N 3.03Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.46Å; D63-Q65 PolarHBondContact OD1-N 2.81Å; D63-S77 PolarHBondContact O-OG 2.68Å; D63-D79 PolarHBondContact N-OD2 3.01Å; D63-R184 IonicContact OD1-NH1 3.46Å; D63-R184 PolarHBondContact OD1-NH1 3.4Å; D63-R184 IonicContact OD2-CZ 3.01Å; D63-R184 IonicContact OD2-NH1 2.72Å; D63-R184 PolarHBondContact OD2-NH1 3.42Å; D63-R184 IonicContact OD2-NH2 2.74Å; D63-R184 PolarHBondContact OD2-NH2 3.29Å
64	L	95.7	Very high	82.9	Confident	73 Å²	73	79.3 Å²	79.3	38%	0.382	44%	0.443	S	S	.	.			trans	-84	8.6	176.8	-56	-176.9	0	0	0	113.2	S62 V66 D79 D83	S62-L64 PolarHBondContact O-N 3.18Å; L64-V66 PolarHBondContact O-N 3.47Å; L64-D79 HydrophobicContact CD2-CB 4.24Å; L64-D83 HydrophobicContact CD2-CB 3.72Å
65	Q	95.5	Very high	85.2	Confident	94 Å²	94	74.3 Å²	74.3	44%	0.439	41%	0.41	S	S	.	.			trans	-70.8	121.1	-179.9	-178.3	-174.9	78.9	0	0	110.5	D63 R184	D63-Q65 PolarHBondContact O-N 3.03Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.46Å; D63-Q65 PolarHBondContact OD1-N 2.81Å; Q65-R184 PolarHBondContact O-NH1 3.01Å
66	V	97.9	Very high	87.5	Confident	26 Å²	26	71.4 Å²	71.4	16%	0.158	38%	0.379	C	S	.	.			trans	-103.2	124	172.5	179.9	0	0	0	0	109.8	L64 V68 L74 A80 T86 L147	L64-V66 PolarHBondContact O-N 3.47Å; V66-V68 PolarHBondContact O-N 3.05Å; V66-L74 HydrophobicContact CG1-CB 3.76Å; V66-L74 HydrophobicContact CG1-CD1 4.04Å; V66-L74 HydrophobicContact CG1-CD2 4.33Å; V66-L74 HydrophobicContact CG1-CG 4.28Å; V66-A80 HydrophobicContact CG2-CB 4.06Å; V66-T86 HydrophobicContact CG2-CG2 3.58Å; V66-L147 HydrophobicContact CG1-CD1 4.35Å
67	G	98.3	Very high	89.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	110.3	170.6	0	0	0	0	0	110.7	I69 L74 L75 A183	G67-I69 PolarHBondContact O-N 2.85Å; G67-L74 CarbonylContact O-C 3.58Å; G67-L74 WeakPolarHBondContact O-CA 3.49Å; G67-L75 PolarHBondContact N-O 3.48Å; G67-L75 PolarHBondContact O-N 2.88Å; G67-A183 WeakPolarHBondContact CA-O 3.32Å
68	V	98.6	Very high	91.3	Very high	80 Å²	80	58.1 Å²	58.1	49%	0.485	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	99.8	175.3	-174.9	0	0	0	0	108.8	V66 K70 L74 A183	V66-V68 PolarHBondContact O-N 3.05Å; V68-K70 WeakPolarHBondContact CG1-O 3.4Å; V68-L74 HydrophobicContact CB-CD2 4.06Å; V68-L74 HydrophobicContact CG1-CD2 3.87Å; V68-L74 HydrophobicContact CG2-CD2 3.88Å; V68-A183 WeakPolarHBondContact O-CB 3.49Å
69	I	98.4	Very high	93.5	Very high	11 Å²	11	53 Å²	53	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-42.9	-178.3	-45.8	-48.4	0	0	0	110.1	G67 L73 L75 V161 L165 L179 V180 A183	G67-I69 PolarHBondContact O-N 2.85Å; I69-L73 HydrophobicContact CB-CD2 4.47Å; I69-L73 HydrophobicContact CB-CG 4.31Å; I69-L73 WeakPolarHBondContact CB-O 3.37Å; I69-L73 HydrophobicContact CG2-CD2 4.48Å; I69-L73 PolarHBondContact N-O 3.09Å; I69-L75 HydrophobicContact CD1-CB 4.31Å; I69-L75 HydrophobicContact CG1-CB 4.39Å; I69-V161 HydrophobicContact CG1-CG1 4.03Å; I69-V161 HydrophobicContact CG2-CG1 4.43Å; I69-L165 HydrophobicContact CG2-CD1 3.89Å; I69-L165 HydrophobicContact CG2-CD2 4.43Å; I69-L179 HydrophobicContact CG2-CD2 4.13Å; I69-L179 HydrophobicContact CG2-CG 4.18Å; I69-V180 HydrophobicContact CD1-CB 4.35Å; I69-V180 HydrophobicContact CD1-CG1 3.93Å; I69-V180 HydrophobicContact CD1-CG2 4.41Å; I69-V180 HydrophobicContact CG2-CG2 4.22Å; I69-A183 HydrophobicContact CD1-CB 3.35Å
70	K	97.9	Very high	95.1	Very high	53 Å²	53	46.9 Å²	46.9	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.2	170.7	-56.7	-73	-178.9	157.3	0	107.5	V68 W72 L73 E169	V68-K70 WeakPolarHBondContact CG1-O 3.4Å; K70-W72 HydrophobicContact CG-CZ2 4.46Å; K70-W72 PolarHBondContact O-N 3.25Å; K70-L73 HydrophobicContact CB-CB 4.06Å; K70-L73 HydrophobicContact CG-CB 4.4Å; K70-L73 PolarHBondContact N-O 2.97Å; K70-L73 VanDerWaalsContact N-O 3.16Å; K70-L73 PolarHBondContact O-N 2.85Å; K70-L73 VanDerWaalsContact O-N 3.09Å; K70-L73 VanDerWaalsContact O-O 3.12Å; K70-E169 WeakPolarHBondContact CE-OE1 3.29Å; K70-E169 VanDerWaalsContact NZ-CD 3.27Å; K70-E169 IonicContact NZ-OE1 3.32Å; K70-E169 PolarHBondContact NZ-OE1 3.06Å; K70-E169 IonicContact NZ-OE2 2.65Å; K70-E169 PolarHBondContact NZ-OE2 3.25Å
71	P	97.9	Very high	96.3	Very high	113 Å²	113	39.9 Å²	39.9	73%	0.734	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-24	177.1	-28.4	36.4	0	0	0	115
72	W	98.4	Very high	97.2	Very high	51 Å²	51	40 Å²	40	19%	0.193	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-2.9	-178.8	56.2	-95.6	0	0	0	114.1	K70 I136 K140 G144 V145 V146 F164	K70-W72 HydrophobicContact CG-CZ2 4.46Å; K70-W72 PolarHBondContact O-N 3.25Å; W72-I136 HydrophobicContact CZ3-CG2 3.89Å; W72-K140 HydrophobicContact CD2-CB 4.31Å; W72-K140 HydrophobicContact CD2-CD 4.37Å; W72-K140 HydrophobicContact CD2-CG 3.89Å; W72-K140 HydrophobicContact CE3-CB 3.82Å; W72-K140 HydrophobicContact CE3-CD 4.28Å; W72-K140 HydrophobicContact CE3-CG 3.88Å; W72-K140 HydrophobicContact CH2-CB 4.37Å; W72-K140 HydrophobicContact CH2-CD 3.51Å; W72-K140 HydrophobicContact CH2-CG 4.04Å; W72-K140 HydrophobicContact CZ2-CD 3.61Å; W72-K140 VanDerWaalsContact CZ2-CE 3.42Å; W72-K140 HydrophobicContact CZ2-CG 4.06Å; W72-K140 HydrophobicContact CZ3-CB 3.85Å; W72-K140 HydrophobicContact CZ3-CD 3.86Å; W72-K140 HydrophobicContact CZ3-CG 3.95Å; W72-G144 WeakPolarHBondContact CB-O 3.27Å; W72-V145 WeakPolarHBondContact O-CA 3.36Å; W72-V146 HydrophobicContact CE3-CG1 4.47Å; W72-V146 WeakPolarHBondContact O-CG1 3.48Å; W72-V146 PolarHBondContact O-N 2.97Å; W72-F164 AromaticContact CH2-CE1 3.67Å; W72-F164 HydrophobicContact CH2-CE1 3.67Å; W72-F164 AromaticContact CH2-CZ 3.9Å; W72-F164 HydrophobicContact CH2-CZ 3.9Å; W72-F164 HydrophobicContact CZ3-CE1 4.15Å; W72-F164 HydrophobicContact CZ3-CZ 4.3Å
73	L	98.8	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.2	-177.3	178.3	60	0	0	0	110.4	I69 K70 I136 V146 V148 V161 F164 L165	I69-L73 HydrophobicContact CB-CD2 4.47Å; I69-L73 HydrophobicContact CB-CG 4.31Å; I69-L73 WeakPolarHBondContact CB-O 3.37Å; I69-L73 HydrophobicContact CG2-CD2 4.48Å; I69-L73 PolarHBondContact N-O 3.09Å; K70-L73 HydrophobicContact CB-CB 4.06Å; K70-L73 HydrophobicContact CG-CB 4.4Å; K70-L73 PolarHBondContact N-O 2.97Å; K70-L73 VanDerWaalsContact N-O 3.16Å; K70-L73 PolarHBondContact O-N 2.85Å; K70-L73 VanDerWaalsContact O-N 3.09Å; K70-L73 VanDerWaalsContact O-O 3.12Å; L73-I136 HydrophobicContact CD1-CG2 4.14Å; L73-V146 HydrophobicContact CD1-CG1 3.75Å; L73-V148 HydrophobicContact CD1-CG2 4.05Å; L73-V161 HydrophobicContact CD2-CG1 4.24Å; L73-F164 HydrophobicContact CD2-CD1 3.83Å; L73-F164 HydrophobicContact CD2-CE1 3.98Å; L73-L165 HydrophobicContact CD2-CD2 4.33Å
74	L	98.9	Very high	98	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.3	-174.9	-49.6	-178.2	0	0	0	111.2	V66 G67 V68 N90 V92 V145 V146 L147 V148	V66-L74 HydrophobicContact CG1-CB 3.76Å; V66-L74 HydrophobicContact CG1-CD1 4.04Å; V66-L74 HydrophobicContact CG1-CD2 4.33Å; V66-L74 HydrophobicContact CG1-CG 4.28Å; G67-L74 CarbonylContact O-C 3.58Å; G67-L74 WeakPolarHBondContact O-CA 3.49Å; V68-L74 HydrophobicContact CB-CD2 4.06Å; V68-L74 HydrophobicContact CG1-CD2 3.87Å; V68-L74 HydrophobicContact CG2-CD2 3.88Å; L74-N90 HydrophobicContact CD1-CB 3.71Å; L74-V92 HydrophobicContact CD1-CG2 3.89Å; L74-V145 HydrophobicContact CD1-CG1 3.54Å; L74-V145 HydrophobicContact CD2-CG1 4.49Å; L74-V145 HydrophobicContact CG-CG1 3.78Å; L74-V146 WeakPolarHBondContact CB-O 3.3Å; L74-V146 PolarHBondContact N-O 3.43Å; L74-L147 HydrophobicContact CB-CD1 3.86Å; L74-V148 PolarHBondContact O-N 3.05Å
75	L	98.8	Very high	98.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.4	176.2	174.9	64.5	0	0	0	110.3	G67 I69 V148 A157 A158 V161 V180 R184 I187	G67-L75 PolarHBondContact N-O 3.48Å; G67-L75 PolarHBondContact O-N 2.88Å; I69-L75 HydrophobicContact CD1-CB 4.31Å; I69-L75 HydrophobicContact CG1-CB 4.39Å; L75-V148 WeakPolarHBondContact CA-O 3.47Å; L75-A157 HydrophobicContact CD1-CB 3.45Å; L75-A157 VanDerWaalsContact CD1-CB 3.45Å; L75-A158 HydrophobicContact CD2-CB 4.06Å; L75-V161 HydrophobicContact CD1-CG2 4.29Å; L75-V180 HydrophobicContact CD2-CG1 3.55Å; L75-R184 HydrophobicContact CD2-CB 4.38Å; L75-I187 HydrophobicContact CD2-CG2 3.57Å
76	G	98.3	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	177.8	-179.1	0	0	0	0	0	115.3	V148 H149 G153	G76-V148 PolarHBondContact N-O 2.94Å; G76-H149 VanDerWaalsContact O-CA 3.31Å; G76-H149 WeakPolarHBondContact O-CA 3.35Å; G76-H149 VanDerWaalsContact O-CB 3.28Å; G76-H149 WeakPolarHBondContact O-CB 3.31Å; G76-G153 WeakPolarHBondContact O-CA 3.02Å
77	S	98.3	Very high	98.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.187	C	C	.	.			trans	-86.8	176.2	170.8	70.9	0	0	0	0	111	D63 D79 A80 A81	D63-S77 PolarHBondContact O-OG 2.68Å; S77-D79 PolarHBondContact O-N 3.25Å; S77-D79 PolarHBondContact OG-N 3.42Å; S77-A80 PolarHBondContact OG-N 2.89Å; S77-A81 PolarHBondContact O-N 3.08Å
78	Q	98.2	Very high	98.3	Very high	66 Å²	66	41.1 Å²	41.1	31%	0.308	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-34.5	169.4	73.9	-175.7	5.1	0	0	111.5	A80 A81 H82 V102 C150 N151	Q78-A80 VanDerWaalsContact C-N 3.35Å; Q78-A80 PolarHBondContact O-N 2.96Å; Q78-A81 CarbonylContact O-C 3.17Å; Q78-A81 WeakPolarHBondContact O-CA 3.37Å; Q78-A81 WeakPolarHBondContact O-CB 3.48Å; Q78-A81 PolarHBondContact O-N 2.85Å; Q78-H82 WeakPolarHBondContact O-CB 3.4Å; Q78-H82 PolarHBondContact O-N 3.31Å; Q78-H82 PolarHBondContact O-ND1 3.09Å; Q78-V102 HydrophobicContact CB-CG1 3.95Å; Q78-V102 VanDerWaalsContact OE1-CG2 3.29Å; Q78-C150 PolarHBondContact N-O 2.84Å; Q78-N151 WeakPolarHBondContact CG-O 3.49Å; Q78-N151 PolarHBondContact N-O 3.44Å
79	D	97.9	Very high	98.2	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-45.1	-176.9	-58.5	-13.1	0	0	0	109.6	D63 L64 S77 A81 H82 D83	D63-D79 PolarHBondContact N-OD2 3.01Å; L64-D79 HydrophobicContact CD2-CB 4.24Å; S77-D79 PolarHBondContact O-N 3.25Å; S77-D79 PolarHBondContact OG-N 3.42Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 2.87Å; D79-H82 PolarHBondContact O-N 3.39Å; D79-D83 PolarHBondContact O-N 2.83Å
80	A	97.8	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-33.1	173.1	0	0	0	0	0	112.9	V66 S77 Q78 H82 T86	V66-A80 HydrophobicContact CG2-CB 4.06Å; S77-A80 PolarHBondContact OG-N 2.89Å; Q78-A80 VanDerWaalsContact C-N 3.35Å; Q78-A80 PolarHBondContact O-N 2.96Å; A80-H82 VanDerWaalsContact C-N 3.34Å; A80-T86 HydrophobicContact CB-CG2 4.31Å
81	A	98.2	Very high	98.3	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-77.6	-18.1	177	0	0	0	0	0	113.7	S77 Q78 D79 L147 H149	S77-A81 PolarHBondContact O-N 3.08Å; Q78-A81 CarbonylContact O-C 3.17Å; Q78-A81 WeakPolarHBondContact O-CA 3.37Å; Q78-A81 WeakPolarHBondContact O-CB 3.48Å; Q78-A81 PolarHBondContact O-N 2.85Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 2.87Å; A81-L147 HydrophobicContact CB-CD2 4.1Å; A81-H149 HydrophobicContact CB-CB 4.35Å
82	H	98.2	Very high	98.3	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.38	23%	0.226	S	C	.	.	S	Bend	trans	-99.2	1.4	176.7	-74.9	70.4	0	0	0	112.8	Q78 D79 A80 E103 A105 F106	Q78-H82 WeakPolarHBondContact O-CB 3.4Å; Q78-H82 PolarHBondContact O-N 3.31Å; Q78-H82 PolarHBondContact O-ND1 3.09Å; D79-H82 PolarHBondContact O-N 3.39Å; A80-H82 VanDerWaalsContact C-N 3.34Å; H82-E103 PolarHBondContact CE1-O 3.29Å; H82-E103 PolarHBondContact NE2-O 3.41Å; H82-A105 HydrophobicContact CB-CB 4.5Å; H82-F106 WeakPolarHBondContact O-CZ 3.19Å
83	D	98.3	Very high	98.3	Very high	45 Å²	45	48 Å²	48	24%	0.241	23%	0.233	C	C	.	.			trans	-106.5	105.9	178.2	-175	67.2	0	0	0	111.4	L64 D79 D85 T86 L87	L64-D83 HydrophobicContact CD2-CB 3.72Å; D79-D83 PolarHBondContact O-N 2.83Å; D83-D85 VanDerWaalsContact C-N 3.27Å; D83-D85 PolarHBondContact O-N 2.64Å; D83-T86 PolarHBondContact O-N 3.27Å; D83-T86 WeakPolarHBondContact OD2-CA 3.45Å; D83-T86 WeakPolarHBondContact OD2-CB 3.41Å; D83-T86 PolarHBondContact OD2-N 2.98Å; D83-T86 PolarHBondContact OD2-OG1 2.65Å; D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 3.31Å
84	L	97.9	Very high	98.3	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-35.5	-175.1	-171.8	60.2	0	0	0	112.4	L87 K88 F106 F110	L84-L87 PolarHBondContact O-N 3.03Å; L84-K88 HydrophobicContact CD1-CD 4.42Å; L84-K88 HydrophobicContact CD1-CG 4.41Å; L84-K88 HydrophobicContact CG-CD 4.08Å; L84-K88 HydrophobicContact CG-CG 4.44Å; L84-K88 WeakPolarHBondContact O-CB 3.3Å; L84-K88 WeakPolarHBondContact O-CG 3.33Å; L84-K88 PolarHBondContact O-N 3.04Å; L84-F106 HydrophobicContact CB-CE1 3.95Å; L84-F106 HydrophobicContact CB-CE2 3.98Å; L84-F106 HydrophobicContact CB-CZ 3.62Å; L84-F106 HydrophobicContact CD1-CD1 4.15Å; L84-F106 HydrophobicContact CD1-CD2 4.13Å; L84-F106 HydrophobicContact CD1-CE1 4.34Å; L84-F106 HydrophobicContact CD1-CE2 4.31Å; L84-F106 HydrophobicContact CD1-CG 4.06Å; L84-F106 HydrophobicContact CD1-CZ 4.42Å; L84-F106 HydrophobicContact CD2-CE1 4.47Å; L84-F106 HydrophobicContact CG-CE1 4.48Å; L84-F110 HydrophobicContact CD1-CE2 3.87Å; L84-F110 HydrophobicContact CD1-CZ 3.9Å
85	D	98.1	Very high	98.3	Very high	119 Å²	119	48.3 Å²	48.3	64%	0.636	23%	0.234	S	C	*	.	H	α-helix	trans	-68.3	-42.6	-179.6	-72.8	-25.4	0	0	0	111	D83 K88 K89	D83-D85 VanDerWaalsContact C-N 3.27Å; D83-D85 PolarHBondContact O-N 2.64Å; D85-K88 PolarHBondContact O-N 2.77Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.79Å
86	T	98.1	Very high	98.3	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-46.3	172.5	-66.4	0	0	0	0	111	V66 A80 D83 N90	V66-T86 HydrophobicContact CG2-CG2 3.58Å; A80-T86 HydrophobicContact CB-CG2 4.31Å; D83-T86 PolarHBondContact O-N 3.27Å; D83-T86 WeakPolarHBondContact OD2-CA 3.45Å; D83-T86 WeakPolarHBondContact OD2-CB 3.41Å; D83-T86 PolarHBondContact OD2-N 2.98Å; D83-T86 PolarHBondContact OD2-OG1 2.65Å; T86-N90 PolarHBondContact O-N 3.46Å; T86-N90 VanDerWaalsContact O-N 3.12Å; T86-N90 PolarHBondContact O-ND2 3.35Å
87	L	98.6	Very high	98.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-47.8	178.2	-66.8	174.5	0	0	0	111.9	D83 L84 N90 K91 V92 I95 F106 F110 L147	D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 3.31Å; L84-L87 PolarHBondContact O-N 3.03Å; L87-N90 CarbonylContact O-C 3.53Å; L87-N90 PolarHBondContact O-N 3.26Å; L87-K91 PolarHBondContact O-N 3.32Å; L87-K91 VanDerWaalsContact O-N 3.08Å; L87-V92 HydrophobicContact CB-CB 4.33Å; L87-V92 HydrophobicContact CD2-CB 4.05Å; L87-V92 HydrophobicContact CD2-CG1 4.08Å; L87-V92 HydrophobicContact CD2-CG2 3.9Å; L87-V92 PolarHBondContact O-N 2.92Å; L87-I95 HydrophobicContact CD1-CD1 3.92Å; L87-I95 HydrophobicContact CD2-CD1 3.96Å; L87-F106 HydrophobicContact CD1-CD2 3.62Å; L87-F106 HydrophobicContact CD1-CE2 3.86Å; L87-F110 HydrophobicContact CB-CE1 4.03Å; L87-F110 HydrophobicContact CB-CE2 4.32Å; L87-F110 HydrophobicContact CB-CZ 3.57Å; L87-F110 HydrophobicContact CD1-CD2 4.22Å; L87-F110 HydrophobicContact CD1-CE1 4.44Å; L87-F110 HydrophobicContact CD1-CE2 3.51Å; L87-F110 HydrophobicContact CD1-CZ 3.65Å; L87-F110 HydrophobicContact CG-CZ 4.23Å; L87-L147 HydrophobicContact CD2-CD2 3.54Å
88	K	98.1	Very high	98.4	Very high	123 Å²	123	48.3 Å²	48.3	54%	0.535	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-42.8	178.9	-76.2	179.7	177.2	174.3	0	112.3	L84 D85 N90 K91	L84-K88 HydrophobicContact CD1-CD 4.42Å; L84-K88 HydrophobicContact CD1-CG 4.41Å; L84-K88 HydrophobicContact CG-CD 4.08Å; L84-K88 HydrophobicContact CG-CG 4.44Å; L84-K88 WeakPolarHBondContact O-CB 3.3Å; L84-K88 WeakPolarHBondContact O-CG 3.33Å; L84-K88 PolarHBondContact O-N 3.04Å; D85-K88 PolarHBondContact O-N 2.77Å; K88-N90 PolarHBondContact O-N 3.39Å; K88-K91 PolarHBondContact O-N 3.19Å
89	K	98.2	Very high	98.3	Very high	176 Å²	176	45.5 Å²	45.5	77%	0.765	22%	0.222	S	C	*	.	H	α-helix	trans	-57.5	-39.2	176.5	178	179.9	176.1	-176.8	0	111.7	D85 K91	D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.79Å; K89-K91 VanDerWaalsContact C-N 3.3Å
90	N	98.2	Very high	98.2	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.241	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4.3	177.6	-69.6	-75	0	0	0	113.6	L74 T86 L87 K88 V92	L74-N90 HydrophobicContact CD1-CB 3.71Å; T86-N90 PolarHBondContact O-N 3.46Å; T86-N90 VanDerWaalsContact O-N 3.12Å; T86-N90 PolarHBondContact O-ND2 3.35Å; L87-N90 CarbonylContact O-C 3.53Å; L87-N90 PolarHBondContact O-N 3.26Å; K88-N90 PolarHBondContact O-N 3.39Å; N90-V92 HydrophobicContact CB-CG2 4.1Å; N90-V92 PolarHBondContact O-N 2.79Å
91	K	98.3	Very high	98.1	Very high	164 Å²	164	53 Å²	53	71%	0.713	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	34.6	179.6	-53.5	179	-178.4	178.9	0	113.3	L87 K88 K89 T93 V145	L87-K91 PolarHBondContact O-N 3.32Å; L87-K91 VanDerWaalsContact O-N 3.08Å; K88-K91 PolarHBondContact O-N 3.19Å; K89-K91 VanDerWaalsContact C-N 3.3Å; K91-T93 PolarHBondContact O-N 3.36Å; K91-V145 WeakPolarHBondContact O-CB 3.24Å
92	V	98.8	Very high	98	Very high	10 Å²	10	53.9 Å²	53.9	6%	0.061	28%	0.275	C	S	.	.			trans	-59.5	136.6	178.9	178.3	0	0	0	0	109.5	L74 L87 N90 H94 I95 F110 L147	L74-V92 HydrophobicContact CD1-CG2 3.89Å; L87-V92 HydrophobicContact CB-CB 4.33Å; L87-V92 HydrophobicContact CD2-CB 4.05Å; L87-V92 HydrophobicContact CD2-CG1 4.08Å; L87-V92 HydrophobicContact CD2-CG2 3.9Å; L87-V92 PolarHBondContact O-N 2.92Å; N90-V92 HydrophobicContact CB-CG2 4.1Å; N90-V92 PolarHBondContact O-N 2.79Å; V92-H94 WeakPolarHBondContact CG1-O 3.2Å; V92-I95 HydrophobicContact CG1-CD1 4.19Å; V92-I95 HydrophobicContact CG1-CG1 3.65Å; V92-F110 HydrophobicContact CB-CD1 4.4Å; V92-F110 HydrophobicContact CB-CE1 4.18Å; V92-F110 HydrophobicContact CG1-CD1 4.12Å; V92-F110 HydrophobicContact CG1-CE1 4.36Å; V92-F110 VanDerWaalsContact O-CD1 3.31Å; V92-F110 WeakPolarHBondContact O-CD1 3.4Å; V92-F110 WeakPolarHBondContact O-CE1 3.45Å; V92-L147 HydrophobicContact CG1-CB 4.03Å; V92-L147 HydrophobicContact CG2-CB 4.19Å
93	T	98.8	Very high	97.9	Very high	58 Å²	58	57.9 Å²	57.9	36%	0.356	29%	0.294	S	S	.	.			trans	-123.1	-25	173.8	58.6	0	0	0	0	112.2	K91 T111 G144 V145	K91-T93 PolarHBondContact O-N 3.36Å; T93-T111 PolarHBondContact O-N 2.99Å; T93-G144 WeakPolarHBondContact OG1-CA 3.33Å; T93-V145 PolarHBondContact N-O 2.91Å; T93-V145 PolarHBondContact OG1-N 3.28Å; T93-V145 PolarHBondContact OG1-O 3.06Å
94	H	98.9	Very high	97.9	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.1	-179.7	-62.5	71.5	0	0	0	110.3	V92 T111 F135 A139 V145 V146 L147	V92-H94 WeakPolarHBondContact CG1-O 3.2Å; H94-T111 CarbonylContact C-O 3.38Å; H94-T111 VanDerWaalsContact CA-O 3.27Å; H94-T111 WeakPolarHBondContact CA-O 3.35Å; H94-F135 HydrophobicContact CB-CE1 4Å; H94-F135 HydrophobicContact CB-CZ 3.86Å; H94-A139 HydrophobicContact CB-CB 3.73Å; H94-A139 VanDerWaalsContact CG-CB 3.45Å; H94-V145 PolarHBondContact N-O 3.09Å; H94-V145 VanDerWaalsContact N-O 3.1Å; H94-V146 HydrophobicContact CB-CB 4.14Å; H94-V146 HydrophobicContact CB-CG2 4.13Å; H94-V146 CarbonylContact O-C 3.48Å; H94-V146 VanDerWaalsContact O-CA 3.29Å; H94-V146 WeakPolarHBondContact O-CA 3.48Å; H94-L147 PolarHBondContact O-N 2.88Å
95	I	98.9	Very high	97.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.3	178.6	-60.6	172.5	0	0	0	109.4	L87 V92 F110 T111 Y112 K113 L147	L87-I95 HydrophobicContact CD1-CD1 3.92Å; L87-I95 HydrophobicContact CD2-CD1 3.96Å; V92-I95 HydrophobicContact CG1-CD1 4.19Å; V92-I95 HydrophobicContact CG1-CG1 3.65Å; I95-F110 HydrophobicContact CD1-CB 3.91Å; I95-F110 HydrophobicContact CD1-CD1 4.29Å; I95-F110 HydrophobicContact CD1-CD2 3.84Å; I95-F110 HydrophobicContact CD1-CE2 4.48Å; I95-F110 HydrophobicContact CD1-CG 3.74Å; I95-F110 HydrophobicContact CG1-CB 4.25Å; I95-F110 HydrophobicContact CG1-CG 4.41Å; I95-T111 PolarHBondContact N-O 2.99Å; I95-Y112 HydrophobicContact CB-CD1 3.66Å; I95-Y112 HydrophobicContact CB-CE1 3.55Å; I95-Y112 HydrophobicContact CB-CG 4.42Å; I95-Y112 HydrophobicContact CD1-CE1 3.69Å; I95-Y112 HydrophobicContact CD1-CE2 4.35Å; I95-Y112 WeakPolarHBondContact CD1-OH 3.38Å; I95-Y112 HydrophobicContact CG1-CE1 4.17Å; I95-Y112 HydrophobicContact CG2-CD1 3.84Å; I95-Y112 HydrophobicContact CG2-CE1 3.56Å; I95-Y112 WeakPolarHBondContact O-CA 3.45Å; I95-K113 PolarHBondContact O-N 3.01Å; I95-L147 CarbonylContact C-O 3.59Å; I95-L147 WeakPolarHBondContact CA-O 3.22Å; I95-L147 HydrophobicContact CG1-CB 4.42Å
96	L	98.9	Very high	97.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	103.4	171.9	179.7	59.2	0	0	0	108.8	V98 K113 I115 C132 F135 I136 V146 L147 V148 H149 I160	L96-V98 HydrophobicContact CD1-CG1 4.17Å; L96-V98 HydrophobicContact CD2-CG1 4.3Å; L96-V98 HydrophobicContact CG-CG1 3.91Å; L96-K113 WeakPolarHBondContact CA-O 3.4Å; L96-K113 HydrophobicContact CD1-CB 3.98Å; L96-K113 HydrophobicContact CD1-CD 4.43Å; L96-K113 HydrophobicContact CD1-CG 4.18Å; L96-I115 HydrophobicContact CD1-CD1 4.25Å; L96-C132 HydrophobicContact CD2-CB 3.9Å; L96-F135 HydrophobicContact CB-CD1 3.8Å; L96-F135 HydrophobicContact CB-CE1 3.82Å; L96-F135 HydrophobicContact CD1-CD1 4.15Å; L96-F135 HydrophobicContact CG-CD1 4.35Å; L96-I136 HydrophobicContact CD2-CD1 4.02Å; L96-I136 HydrophobicContact CD2-CG1 4.04Å; L96-V146 HydrophobicContact CB-CG2 4.49Å; L96-L147 PolarHBondContact N-O 3.39Å; L96-V148 HydrophobicContact CB-CG1 4.35Å; L96-V148 HydrophobicContact CB-CG2 4.23Å; L96-V148 HydrophobicContact CD2-CG1 4.01Å; L96-V148 HydrophobicContact CD2-CG2 4.19Å; L96-V148 HydrophobicContact CG-CG1 4.25Å; L96-V148 WeakPolarHBondContact O-CA 3.07Å; L96-H149 PolarHBondContact O-N 3.4Å; L96-I160 HydrophobicContact CD2-CG2 4.25Å
97	N	98.8	Very high	97.6	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.011	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	108	176.5	179	-2.4	0	0	0	109.2	A99 V102 N104 K113 S114 I115 H149	N97-A99 VanDerWaalsContact OD1-CB 3.24Å; N97-A99 WeakPolarHBondContact OD1-CB 3.35Å; N97-A99 PolarHBondContact OD1-N 3.34Å; N97-V102 PolarHBondContact ND2-O 2.86Å; N97-N104 PolarHBondContact ND2-OD1 3.49Å; N97-K113 PolarHBondContact N-O 3.4Å; N97-S114 CarbonylContact O-C 3.52Å; N97-S114 WeakPolarHBondContact O-CA 3.3Å; N97-I115 PolarHBondContact O-N 3.16Å; N97-H149 VanDerWaalsContact CB-NE2 3.3Å; N97-H149 WeakPolarHBondContact CB-NE2 3.14Å; N97-H149 VanDerWaalsContact CG-CE1 3.44Å; N97-H149 PolarHBondContact OD1-CE1 3.33Å
98	V	98.8	Very high	97.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.			trans	-105.1	17.8	175.2	-58	0	0	0	0	113.4	L96 I115 I117 H149 C150 R156 A157 I160	L96-V98 HydrophobicContact CD1-CG1 4.17Å; L96-V98 HydrophobicContact CD2-CG1 4.3Å; L96-V98 HydrophobicContact CG-CG1 3.91Å; V98-I115 CarbonylContact C-O 3.57Å; V98-I115 WeakPolarHBondContact CA-O 3.17Å; V98-I117 HydrophobicContact CB-CD1 3.98Å; V98-I117 HydrophobicContact CB-CG1 4.36Å; V98-I117 HydrophobicContact CG1-CD1 4.24Å; V98-H149 WeakPolarHBondContact CG2-O 3.47Å; V98-H149 PolarHBondContact N-O 2.91Å; V98-C150 HydrophobicContact CG2-CB 4.1Å; V98-R156 HydrophobicContact CG2-CB 4.04Å; V98-A157 HydrophobicContact CG2-CB 3.95Å; V98-I160 HydrophobicContact CG1-CG1 4.33Å; V98-I160 HydrophobicContact CG2-CG1 4.4Å
99	A	97.7	Very high	97.4	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	34%	0.342	C	S	.	.			trans	-80.9	153.9	178.2	0	0	0	0	0	111.9	N97 V102 C150	N97-A99 VanDerWaalsContact OD1-CB 3.24Å; N97-A99 WeakPolarHBondContact OD1-CB 3.35Å; N97-A99 PolarHBondContact OD1-N 3.34Å; A99-V102 HydrophobicContact CB-CB 3.66Å; A99-V102 HydrophobicContact CB-CG2 3.46Å; A99-V102 VanDerWaalsContact CB-CG2 3.46Å; A99-C150 HydrophobicContact CB-CB 4.35Å
100	Y	95.6	Very high	97.4	Very high	136 Å²	136	56 Å²	56	53%	0.533	31%	0.31	S	S	.	.	S	Bend	trans	-92.2	129.9	165.2	-178.8	-89.9	0	0	0	108.6	V102 S116 L118	Y100-V102 VanDerWaalsContact C-N 3.34Å; Y100-V102 PolarHBondContact O-N 2.84Å; Y100-S116 WeakPolarHBondContact CD2-OG 3.09Å; Y100-L118 HydrophobicContact CD1-CD2 4.15Å; Y100-L118 HydrophobicContact CD2-CD2 3.5Å; Y100-L118 VanDerWaalsContact CD2-CD2 3.5Å; Y100-L118 HydrophobicContact CD2-CG 4.28Å; Y100-L118 HydrophobicContact CE1-CD2 4.48Å; Y100-L118 HydrophobicContact CE2-CD2 3.91Å; Y100-L118 HydrophobicContact CG-CD2 3.66Å
101	G	95.4	Very high	97.4	Very high	73 Å²	73	57 Å²	57	75%	0.753	32%	0.318	S	S	*	.	S	Bend	trans	70.5	22.3	173.9	0	0	0	0	0	115.6
102	V	95.5	Very high	97.5	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.121	29%	0.292	C	S	.	.			trans	-115.4	122.5	176	-178.2	0	0	0	0	109.1	Q78 N97 A99 Y100 N151	Q78-V102 HydrophobicContact CB-CG1 3.95Å; Q78-V102 VanDerWaalsContact OE1-CG2 3.29Å; N97-V102 PolarHBondContact ND2-O 2.86Å; A99-V102 HydrophobicContact CB-CB 3.66Å; A99-V102 HydrophobicContact CB-CG2 3.46Å; A99-V102 VanDerWaalsContact CB-CG2 3.46Å; Y100-V102 VanDerWaalsContact C-N 3.34Å; Y100-V102 PolarHBondContact O-N 2.84Å; V102-N151 WeakPolarHBondContact CG2-ND2 3.46Å
103	E	97.1	Very high	97.5	Very high	166 Å²	166	52.8 Å²	52.8	78%	0.776	30%	0.298	S	S	*	.			trans	-81.1	165.3	176.6	-62.1	-172.8	166.2	0	0	111.6	H82	H82-E103 PolarHBondContact CE1-O 3.29Å; H82-E103 PolarHBondContact NE2-O 3.41Å
104	N	97.7	Very high	97.4	Very high	34 Å²	34	53.3 Å²	53.3	18%	0.182	30%	0.304	C	S	.	.			trans	-94.9	130.4	177.2	-63.3	-24.2	0	0	0	109.4	N97 L107 Y112 S114	N97-N104 PolarHBondContact ND2-OD1 3.49Å; N104-L107 HydrophobicContact CB-CD2 3.59Å; N104-L107 HydrophobicContact CB-CG 4.36Å; N104-Y112 HydrophobicContact CB-CD1 3.72Å; N104-Y112 HydrophobicContact CB-CE1 3.54Å; N104-Y112 HydrophobicContact CB-CE2 4.38Å; N104-Y112 HydrophobicContact CB-CG 4.2Å; N104-Y112 VanDerWaalsContact ND2-CD1 3.3Å; N104-Y112 WeakPolarHBondContact ND2-CD1 3.06Å; N104-Y112 WeakPolarHBondContact OD1-CD1 3.28Å; N104-S114 PolarHBondContact ND2-OG 3.39Å; N104-S114 PolarHBondContact OD1-OG 2.79Å
105	A	96.3	Very high	97.4	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	31%	0.305	S	S	.	.	S	Bend	trans	-78.6	-41.8	-174.3	0	0	0	0	0	114.9	H82	H82-A105 HydrophobicContact CB-CB 4.5Å
106	F	96.9	Very high	97.4	Very high	42 Å²	42	56.7 Å²	56.7	18%	0.184	33%	0.328	C	S	.	.			trans	-121.9	55.7	-164	-52.2	-66.1	0	0	0	112.1	H82 L84 L87 S108 D109 F110 Y112	H82-F106 WeakPolarHBondContact O-CZ 3.19Å; L84-F106 HydrophobicContact CB-CE1 3.95Å; L84-F106 HydrophobicContact CB-CE2 3.98Å; L84-F106 HydrophobicContact CB-CZ 3.62Å; L84-F106 HydrophobicContact CD1-CD1 4.15Å; L84-F106 HydrophobicContact CD1-CD2 4.13Å; L84-F106 HydrophobicContact CD1-CE1 4.34Å; L84-F106 HydrophobicContact CD1-CE2 4.31Å; L84-F106 HydrophobicContact CD1-CG 4.06Å; L84-F106 HydrophobicContact CD1-CZ 4.42Å; L84-F106 HydrophobicContact CD2-CE1 4.47Å; L84-F106 HydrophobicContact CG-CE1 4.48Å; L87-F106 HydrophobicContact CD1-CD2 3.62Å; L87-F106 HydrophobicContact CD1-CE2 3.86Å; F106-S108 PolarHBondContact O-N 2.72Å; F106-D109 HydrophobicContact CB-CB 4.17Å; F106-D109 PolarHBondContact O-N 3.34Å; F106-F110 HydrophobicContact CB-CD2 3.7Å; F106-F110 HydrophobicContact CB-CE2 3.63Å; F106-F110 AromaticContact CD2-CE2 3.95Å; F106-F110 HydrophobicContact CD2-CE2 3.95Å; F106-F110 HydrophobicContact CG-CE2 4.08Å; F106-F110 PolarHBondContact O-N 3.01Å; F106-Y112 PolarHBondContact N-OH 3.02Å; F106-Y112 WeakPolarHBondContact O-CE2 3.31Å
107	L	95.1	Very high	97.4	Very high	121 Å²	121	56.7 Å²	56.7	63%	0.634	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.6	-171.3	-68.4	174.7	0	0	0	115.3	N104 Y112	N104-L107 HydrophobicContact CB-CD2 3.59Å; N104-L107 HydrophobicContact CB-CG 4.36Å; L107-Y112 HydrophobicContact CD2-CD2 4.2Å; L107-Y112 HydrophobicContact CD2-CE2 4.5Å
108	S	95.4	Very high	97.3	Very high	124 Å²	124	60.2 Å²	60.2	87%	0.867	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-15.6	179.8	-56.9	0	0	0	0	114	F106	F106-S108 PolarHBondContact O-N 2.72Å
109	D	96.7	Very high	97.3	Very high	98 Å²	98	62.9 Å²	62.9	52%	0.524	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-23.6	-173.1	-63.5	-81.7	0	0	0	113.1	F106	F106-D109 HydrophobicContact CB-CB 4.17Å; F106-D109 PolarHBondContact O-N 3.34Å
110	F	98.4	Very high	97.3	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.096	38%	0.38	C	S	.	.	S	Bend	trans	-134.1	154.1	-175	-49.5	-82.6	0	0	0	112.3	L84 L87 V92 I95 F106 Y112	L84-F110 HydrophobicContact CD1-CE2 3.87Å; L84-F110 HydrophobicContact CD1-CZ 3.9Å; L87-F110 HydrophobicContact CB-CE1 4.03Å; L87-F110 HydrophobicContact CB-CE2 4.32Å; L87-F110 HydrophobicContact CB-CZ 3.57Å; L87-F110 HydrophobicContact CD1-CD2 4.22Å; L87-F110 HydrophobicContact CD1-CE1 4.44Å; L87-F110 HydrophobicContact CD1-CE2 3.51Å; L87-F110 HydrophobicContact CD1-CZ 3.65Å; L87-F110 HydrophobicContact CG-CZ 4.23Å; V92-F110 HydrophobicContact CB-CD1 4.4Å; V92-F110 HydrophobicContact CB-CE1 4.18Å; V92-F110 HydrophobicContact CG1-CD1 4.12Å; V92-F110 HydrophobicContact CG1-CE1 4.36Å; V92-F110 VanDerWaalsContact O-CD1 3.31Å; V92-F110 WeakPolarHBondContact O-CD1 3.4Å; V92-F110 WeakPolarHBondContact O-CE1 3.45Å; I95-F110 HydrophobicContact CD1-CB 3.91Å; I95-F110 HydrophobicContact CD1-CD1 4.29Å; I95-F110 HydrophobicContact CD1-CD2 3.84Å; I95-F110 HydrophobicContact CD1-CE2 4.48Å; I95-F110 HydrophobicContact CD1-CG 3.74Å; I95-F110 HydrophobicContact CG1-CB 4.25Å; I95-F110 HydrophobicContact CG1-CG 4.41Å; F106-F110 HydrophobicContact CB-CD2 3.7Å; F106-F110 HydrophobicContact CB-CE2 3.63Å; F106-F110 AromaticContact CD2-CE2 3.95Å; F106-F110 HydrophobicContact CD2-CE2 3.95Å; F106-F110 HydrophobicContact CG-CE2 4.08Å; F106-F110 PolarHBondContact O-N 3.01Å; F110-Y112 HydrophobicContact CB-CD2 4.23Å; F110-Y112 HydrophobicContact CB-CE2 3.76Å; F110-Y112 HydrophobicContact CD2-CE2 4.28Å; F110-Y112 VanDerWaalsContact O-CD2 3.31Å; F110-Y112 WeakPolarHBondContact O-CD2 3.35Å
111	T	98.5	Very high	97.5	Very high	66 Å²	66	62.6 Å²	62.6	41%	0.405	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.9	169.2	-55.6	0	0	0	0	109	T93 H94 I95 F135	T93-T111 PolarHBondContact O-N 2.99Å; H94-T111 CarbonylContact C-O 3.38Å; H94-T111 VanDerWaalsContact CA-O 3.27Å; H94-T111 WeakPolarHBondContact CA-O 3.35Å; I95-T111 PolarHBondContact N-O 2.99Å; T111-F135 HydrophobicContact CG2-CE2 4.14Å
112	Y	98.7	Very high	97.6	Very high	42 Å²	42	66.3 Å²	66.3	17%	0.165	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148.8	-179.1	-77.6	-92	0	0	0	113	I95 N104 F106 L107 F110	I95-Y112 HydrophobicContact CB-CD1 3.66Å; I95-Y112 HydrophobicContact CB-CE1 3.55Å; I95-Y112 HydrophobicContact CB-CG 4.42Å; I95-Y112 HydrophobicContact CD1-CE1 3.69Å; I95-Y112 HydrophobicContact CD1-CE2 4.35Å; I95-Y112 WeakPolarHBondContact CD1-OH 3.38Å; I95-Y112 HydrophobicContact CG1-CE1 4.17Å; I95-Y112 HydrophobicContact CG2-CD1 3.84Å; I95-Y112 HydrophobicContact CG2-CE1 3.56Å; I95-Y112 WeakPolarHBondContact O-CA 3.45Å; N104-Y112 HydrophobicContact CB-CD1 3.72Å; N104-Y112 HydrophobicContact CB-CE1 3.54Å; N104-Y112 HydrophobicContact CB-CE2 4.38Å; N104-Y112 HydrophobicContact CB-CG 4.2Å; N104-Y112 VanDerWaalsContact ND2-CD1 3.3Å; N104-Y112 WeakPolarHBondContact ND2-CD1 3.06Å; N104-Y112 WeakPolarHBondContact OD1-CD1 3.28Å; F106-Y112 PolarHBondContact N-OH 3.02Å; F106-Y112 WeakPolarHBondContact O-CE2 3.31Å; L107-Y112 HydrophobicContact CD2-CD2 4.2Å; L107-Y112 HydrophobicContact CD2-CE2 4.5Å; F110-Y112 HydrophobicContact CB-CD2 4.23Å; F110-Y112 HydrophobicContact CB-CE2 3.76Å; F110-Y112 HydrophobicContact CD2-CE2 4.28Å; F110-Y112 VanDerWaalsContact O-CD2 3.31Å; F110-Y112 WeakPolarHBondContact O-CD2 3.35Å
113	K	98.7	Very high	97.7	Very high	45 Å²	45	66.3 Å²	66.3	20%	0.196	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	155.8	-171	168.5	-161.9	170.7	0	108.9	I95 L96 N97 I115 E131 F135	I95-K113 PolarHBondContact O-N 3.01Å; L96-K113 WeakPolarHBondContact CA-O 3.4Å; L96-K113 HydrophobicContact CD1-CB 3.98Å; L96-K113 HydrophobicContact CD1-CD 4.43Å; L96-K113 HydrophobicContact CD1-CG 4.18Å; N97-K113 PolarHBondContact N-O 3.4Å; K113-I115 HydrophobicContact CD-CD1 4.4Å; K113-I115 HydrophobicContact CG-CD1 4.43Å; K113-I115 HydrophobicContact CG-CG1 4.33Å; K113-E131 WeakPolarHBondContact CE-OE1 3.04Å; K113-E131 VanDerWaalsContact NZ-CG 3.33Å; K113-E131 PolarHBondContact NZ-O 2.86Å; K113-E131 IonicContact NZ-OE1 3.63Å; K113-F135 HydrophobicContact CB-CD1 4.15Å; K113-F135 HydrophobicContact CB-CD2 3.56Å; K113-F135 HydrophobicContact CB-CE1 4.17Å; K113-F135 HydrophobicContact CB-CE2 3.58Å; K113-F135 HydrophobicContact CB-CG 3.84Å; K113-F135 HydrophobicContact CB-CZ 3.88Å; K113-F135 HydrophobicContact CD-CB 3.61Å; K113-F135 HydrophobicContact CD-CD2 3.73Å; K113-F135 HydrophobicContact CD-CG 3.76Å; K113-F135 HydrophobicContact CG-CD2 4.3Å; K113-F135 HydrophobicContact CG-CG 4.45Å
114	S	98.5	Very high	97.8	Very high	68 Å²	68	62.5 Å²	62.5	48%	0.476	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.7	-178.9	-65.1	0	0	0	0	109.9	N97 N104	N97-S114 CarbonylContact O-C 3.52Å; N97-S114 WeakPolarHBondContact O-CA 3.3Å; N104-S114 PolarHBondContact ND2-OG 3.39Å; N104-S114 PolarHBondContact OD1-OG 2.79Å
115	I	98.4	Very high	97.8	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.056	34%	0.344	C	S	.	.			trans	-125.5	109.3	178.9	-60	173.7	0	0	0	107.1	L96 N97 V98 K113 I117 Y128 E131 C132	L96-I115 HydrophobicContact CD1-CD1 4.25Å; N97-I115 PolarHBondContact O-N 3.16Å; V98-I115 CarbonylContact C-O 3.57Å; V98-I115 WeakPolarHBondContact CA-O 3.17Å; K113-I115 HydrophobicContact CD-CD1 4.4Å; K113-I115 HydrophobicContact CG-CD1 4.43Å; K113-I115 HydrophobicContact CG-CG1 4.33Å; I115-I117 HydrophobicContact CG2-CD1 4.16Å; I115-I117 HydrophobicContact CG2-CG1 3.89Å; I115-I117 PolarHBondContact O-N 3.19Å; I115-I117 VanDerWaalsContact O-N 3.08Å; I115-Y128 HydrophobicContact CG2-CD1 3.41Å; I115-Y128 VanDerWaalsContact CG2-CD1 3.41Å; I115-Y128 HydrophobicContact CG2-CE1 3.9Å; I115-Y128 HydrophobicContact CG2-CG 4.26Å; I115-E131 HydrophobicContact CD1-CB 4.09Å; I115-E131 HydrophobicContact CD1-CG 4.01Å; I115-C132 VanDerWaalsContact CD1-SG 3.56Å
116	S	97.9	Very high	97.9	Very high	70 Å²	70	60.9 Å²	60.9	49%	0.49	34%	0.337	S	S	.	.			trans	-75.8	102.1	-175.2	173.1	0	0	0	0	111.3	Y100	Y100-S116 WeakPolarHBondContact CD2-OG 3.09Å
117	I	98.4	Very high	97.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.352	C	S	.	.			trans	-111.3	129.2	178.9	-50.8	-177.4	0	0	0	110.2	V98 I115 T123 Y128 R156 I160 F193	V98-I117 HydrophobicContact CB-CD1 3.98Å; V98-I117 HydrophobicContact CB-CG1 4.36Å; V98-I117 HydrophobicContact CG1-CD1 4.24Å; I115-I117 HydrophobicContact CG2-CD1 4.16Å; I115-I117 HydrophobicContact CG2-CG1 3.89Å; I115-I117 PolarHBondContact O-N 3.19Å; I115-I117 VanDerWaalsContact O-N 3.08Å; I117-T123 HydrophobicContact CG2-CG2 3.83Å; I117-Y128 HydrophobicContact CD1-CD1 4.19Å; I117-Y128 HydrophobicContact CD1-CD2 3.87Å; I117-Y128 HydrophobicContact CD1-CE2 4.46Å; I117-Y128 HydrophobicContact CD1-CG 3.7Å; I117-Y128 HydrophobicContact CG1-CD1 4.18Å; I117-Y128 HydrophobicContact CG1-CD2 4.16Å; I117-Y128 HydrophobicContact CG1-CE1 4.27Å; I117-Y128 HydrophobicContact CG1-CE2 4.27Å; I117-Y128 HydrophobicContact CG1-CG 4.1Å; I117-Y128 HydrophobicContact CG2-CE2 4.3Å; I117-R156 HydrophobicContact CB-CG 4.39Å; I117-R156 HydrophobicContact CG2-CG 4.08Å; I117-R156 WeakPolarHBondContact O-CD 3.39Å; I117-R156 PolarHBondContact O-NH1 2.74Å; I117-I160 HydrophobicContact CD1-CD1 4.27Å; I117-F193 HydrophobicContact CG2-CZ 4.46Å
118	L	98.3	Very high	98.1	Very high	75 Å²	75	59.7 Å²	59.7	39%	0.393	34%	0.335	S	S	.	.			trans	-75.7	142.4	171.9	-68	174.3	0	0	0	110.7	Y100 L120 T123	Y100-L118 HydrophobicContact CD1-CD2 4.15Å; Y100-L118 HydrophobicContact CD2-CD2 3.5Å; Y100-L118 VanDerWaalsContact CD2-CD2 3.5Å; Y100-L118 HydrophobicContact CD2-CG 4.28Å; Y100-L118 HydrophobicContact CE1-CD2 4.48Å; Y100-L118 HydrophobicContact CE2-CD2 3.91Å; Y100-L118 HydrophobicContact CG-CD2 3.66Å; L118-L120 HydrophobicContact CB-CD1 4.27Å; L118-L120 HydrophobicContact CB-CG 4.24Å; L118-L120 HydrophobicContact CD1-CD1 4.19Å; L118-L120 PolarHBondContact O-N 3.18Å; L118-L120 VanDerWaalsContact O-N 3.13Å; L118-T123 PolarHBondContact O-OG1 3.31Å
119	D	98.3	Very high	98.2	Very high	57 Å²	57	54 Å²	54	31%	0.305	29%	0.294	S	S	.	.			trans	-89.6	51	179.4	-145.3	-23.4	0	0	0	112.3	S155 R156 N190	D119-S155 WeakPolarHBondContact OD1-CB 3.48Å; D119-S155 PolarHBondContact OD1-OG 3.38Å; D119-S155 WeakPolarHBondContact OD2-CB 3.37Å; D119-R156 HydrophobicContact CB-CG 4.26Å; D119-R156 IonicContact OD2-CZ 3.39Å; D119-R156 IonicContact OD2-NE 2.86Å; D119-R156 PolarHBondContact OD2-NE 3.45Å; D119-R156 IonicContact OD2-NH2 2.84Å; D119-R156 PolarHBondContact OD2-NH2 3.45Å; D119-N190 PolarHBondContact OD1-ND2 3.28Å; D119-N190 VanDerWaalsContact OD1-ND2 3.16Å
120	L	98.4	Very high	98.3	Very high	87 Å²	87	53.9 Å²	53.9	46%	0.455	30%	0.298	S	S	.	.			trans	-112.6	139.8	-176.5	-61.3	176.2	0	0	0	109.8	L118 E122 T123	L118-L120 HydrophobicContact CB-CD1 4.27Å; L118-L120 HydrophobicContact CB-CG 4.24Å; L118-L120 HydrophobicContact CD1-CD1 4.19Å; L118-L120 PolarHBondContact O-N 3.18Å; L118-L120 VanDerWaalsContact O-N 3.13Å; L120-E122 WeakPolarHBondContact CB-OE2 3.01Å; L120-E122 PolarHBondContact O-N 3.45Å; L120-E122 VanDerWaalsContact O-N 3.11Å; L120-T123 VanDerWaalsContact O-CB 3.32Å; L120-T123 WeakPolarHBondContact O-CB 3.43Å; L120-T123 PolarHBondContact O-N 3.23Å; L120-T123 PolarHBondContact O-OG1 3.11Å
121	P	97.9	Very high	98.3	Very high	48 Å²	48	57 Å²	57	31%	0.312	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.4	175.6	-27.1	36	0	0	0	114.2	T123 N190 G192	P121-T123 VanDerWaalsContact C-N 3.32Å; P121-N190 WeakPolarHBondContact CA-OD1 3.49Å; P121-G192 WeakPolarHBondContact O-CA 3.31Å
122	E	97.9	Very high	98.3	Very high	152 Å²	152	53.9 Å²	53.9	71%	0.71	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.7	-179.5	-54.9	72.9	-156.1	0	0	113	L120 N124	L120-E122 WeakPolarHBondContact CB-OE2 3.01Å; L120-E122 PolarHBondContact O-N 3.45Å; L120-E122 VanDerWaalsContact O-N 3.11Å; E122-N124 PolarHBondContact O-N 2.9Å
123	T	98.4	Very high	98.3	Very high	19 Å²	19	52.5 Å²	52.5	12%	0.117	29%	0.289	C	S	.	.	S	Bend	trans	-68.9	125	179.2	-61.2	0	0	0	0	109.3	I117 L118 L120 P121 I125 Y128 F193 Q196	I117-T123 HydrophobicContact CG2-CG2 3.83Å; L118-T123 PolarHBondContact O-OG1 3.31Å; L120-T123 VanDerWaalsContact O-CB 3.32Å; L120-T123 WeakPolarHBondContact O-CB 3.43Å; L120-T123 PolarHBondContact O-N 3.23Å; L120-T123 PolarHBondContact O-OG1 3.11Å; P121-T123 VanDerWaalsContact C-N 3.32Å; T123-I125 PolarHBondContact O-N 2.9Å; T123-Y128 HydrophobicContact CG2-CE2 4.25Å; T123-F193 HydrophobicContact CG2-CE1 4.34Å; T123-F193 HydrophobicContact CG2-CZ 4.5Å; T123-F193 WeakPolarHBondContact O-CE1 3.44Å; T123-Q196 PolarHBondContact O-NE2 3.06Å
124	N	98.3	Very high	98.3	Very high	86 Å²	86	56.6 Å²	56.6	46%	0.46	31%	0.309	S	S	.	.			trans	-73.7	95.8	174	-178.1	1.3	0	0	0	109.5	E122 L126 S127 Y128 Q196	E122-N124 PolarHBondContact O-N 2.9Å; N124-L126 VanDerWaalsContact C-N 3.33Å; N124-L126 PolarHBondContact OD1-N 3.26Å; N124-S127 PolarHBondContact O-OG 3.25Å; N124-S127 PolarHBondContact OD1-N 3.17Å; N124-Y128 VanDerWaalsContact O-CD2 3.25Å; N124-Y128 WeakPolarHBondContact O-CD2 3.42Å; N124-Y128 WeakPolarHBondContact O-CE2 3.26Å; N124-Q196 PolarHBondContact OD1-OE1 3.06Å
125	I	98.4	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.			trans	-74.5	-27.9	-179.3	-158.2	174.1	0	0	0	112	T123 S127 Y128 F129 A159 I160 F193 Q196	T123-I125 PolarHBondContact O-N 2.9Å; I125-S127 PolarHBondContact O-N 2.89Å; I125-Y128 PolarHBondContact O-N 3.26Å; I125-Y128 VanDerWaalsContact O-N 3.09Å; I125-F129 HydrophobicContact CG1-CE1 4.14Å; I125-F129 HydrophobicContact CG2-CE1 4.09Å; I125-F129 HydrophobicContact CG2-CZ 4.29Å; I125-F129 WeakPolarHBondContact O-CD1 3.3Å; I125-A159 HydrophobicContact CD1-CB 3.41Å; I125-A159 VanDerWaalsContact CD1-CB 3.41Å; I125-I160 HydrophobicContact CD1-CD1 4.08Å; I125-I160 HydrophobicContact CD1-CG1 4.29Å; I125-I160 HydrophobicContact CG1-CD1 3.94Å; I125-F193 HydrophobicContact CB-CD1 3.69Å; I125-F193 HydrophobicContact CB-CE1 3.71Å; I125-F193 HydrophobicContact CB-CG 4.33Å; I125-F193 HydrophobicContact CB-CZ 4.35Å; I125-F193 HydrophobicContact CD1-CD1 4.14Å; I125-F193 HydrophobicContact CD1-CD2 3.85Å; I125-F193 HydrophobicContact CD1-CE1 4.2Å; I125-F193 HydrophobicContact CD1-CE2 3.94Å; I125-F193 HydrophobicContact CD1-CG 3.97Å; I125-F193 HydrophobicContact CD1-CZ 4.1Å; I125-F193 HydrophobicContact CG1-CD1 4.45Å; I125-F193 HydrophobicContact CG1-CE1 4.33Å; I125-F193 HydrophobicContact CG1-CZ 4.49Å; I125-F193 HydrophobicContact CG2-CB 4.48Å; I125-F193 HydrophobicContact CG2-CD1 3.81Å; I125-F193 HydrophobicContact CG2-CE1 4.35Å; I125-F193 HydrophobicContact CG2-CG 4.24Å; I125-Q196 HydrophobicContact CG2-CB 4.26Å
126	L	97.9	Very high	98.3	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.236	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.6	-30.6	-177.2	-55.1	-176.2	0	0	0	112.1	N124 Y128 F129 Q196 Y200	N124-L126 VanDerWaalsContact C-N 3.33Å; N124-L126 PolarHBondContact OD1-N 3.26Å; L126-Y128 PolarHBondContact O-N 3.49Å; L126-F129 HydrophobicContact CD2-CD2 3.93Å; L126-F129 HydrophobicContact CD2-CE1 4.29Å; L126-F129 HydrophobicContact CD2-CE2 3.29Å; L126-F129 HydrophobicContact CD2-CZ 3.51Å; L126-F129 WeakPolarHBondContact O-CB 3Å; L126-F129 PolarHBondContact O-N 3.08Å; L126-Q196 HydrophobicContact CD1-CB 4.17Å; L126-Q196 HydrophobicContact CD2-CB 4.09Å; L126-Q196 HydrophobicContact CG-CB 3.96Å; L126-Q196 HydrophobicContact CG-CG 4.49Å; L126-Y200 HydrophobicContact CD2-CD2 4.36Å; L126-Y200 HydrophobicContact CD2-CG 4.25Å
127	S	98.1	Very high	98.4	Very high	71 Å²	71	53 Å²	53	50%	0.497	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.2	177.1	56.8	0	0	0	0	113.5	N124 I125	N124-S127 PolarHBondContact O-OG 3.25Å; N124-S127 PolarHBondContact OD1-N 3.17Å; I125-S127 PolarHBondContact O-N 2.89Å
128	Y	98.6	Very high	98.3	Very high	68 Å²	68	55.9 Å²	55.9	27%	0.267	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-90.2	-10.5	179	-57.8	-80.7	0	0	0	113.2	I115 I117 T123 N124 I125 L126 E131 C132	I115-Y128 HydrophobicContact CG2-CD1 3.41Å; I115-Y128 VanDerWaalsContact CG2-CD1 3.41Å; I115-Y128 HydrophobicContact CG2-CE1 3.9Å; I115-Y128 HydrophobicContact CG2-CG 4.26Å; I117-Y128 HydrophobicContact CD1-CD1 4.19Å; I117-Y128 HydrophobicContact CD1-CD2 3.87Å; I117-Y128 HydrophobicContact CD1-CE2 4.46Å; I117-Y128 HydrophobicContact CD1-CG 3.7Å; I117-Y128 HydrophobicContact CG1-CD1 4.18Å; I117-Y128 HydrophobicContact CG1-CD2 4.16Å; I117-Y128 HydrophobicContact CG1-CE1 4.27Å; I117-Y128 HydrophobicContact CG1-CE2 4.27Å; I117-Y128 HydrophobicContact CG1-CG 4.1Å; I117-Y128 HydrophobicContact CG2-CE2 4.3Å; T123-Y128 HydrophobicContact CG2-CE2 4.25Å; N124-Y128 VanDerWaalsContact O-CD2 3.25Å; N124-Y128 WeakPolarHBondContact O-CD2 3.42Å; N124-Y128 WeakPolarHBondContact O-CE2 3.26Å; I125-Y128 PolarHBondContact O-N 3.26Å; I125-Y128 VanDerWaalsContact O-N 3.09Å; L126-Y128 PolarHBondContact O-N 3.49Å; Y128-E131 PolarHBondContact O-N 3.3Å; Y128-C132 WeakPolarHBondContact O-CB 3.44Å; Y128-C132 PolarHBondContact O-N 2.87Å; Y128-C132 PolarHBondContact O-SG 3.19Å
129	F	98.3	Very high	98.3	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.022	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-49.2	-176.4	-78.3	9.1	0	0	0	113.4	I125 L126 E131 C132 F133 I160 L197 Y200	I125-F129 HydrophobicContact CG1-CE1 4.14Å; I125-F129 HydrophobicContact CG2-CE1 4.09Å; I125-F129 HydrophobicContact CG2-CZ 4.29Å; I125-F129 WeakPolarHBondContact O-CD1 3.3Å; L126-F129 HydrophobicContact CD2-CD2 3.93Å; L126-F129 HydrophobicContact CD2-CE1 4.29Å; L126-F129 HydrophobicContact CD2-CE2 3.29Å; L126-F129 HydrophobicContact CD2-CZ 3.51Å; L126-F129 WeakPolarHBondContact O-CB 3Å; L126-F129 PolarHBondContact O-N 3.08Å; F129-E131 VanDerWaalsContact C-N 3.28Å; F129-E131 PolarHBondContact O-N 2.87Å; F129-C132 PolarHBondContact O-N 3.39Å; F129-F133 HydrophobicContact CB-CD2 4.13Å; F129-F133 HydrophobicContact CB-CE1 4.02Å; F129-F133 HydrophobicContact CB-CE2 3.59Å; F129-F133 HydrophobicContact CB-CZ 3.52Å; F129-F133 HydrophobicContact CD1-CE1 4.09Å; F129-F133 AromaticContact CD1-CZ 3.89Å; F129-F133 HydrophobicContact CD1-CZ 3.89Å; F129-F133 HydrophobicContact CD2-CE1 4.37Å; F129-F133 AromaticContact CD2-CE2 3.79Å; F129-F133 HydrophobicContact CD2-CE2 3.79Å; F129-F133 AromaticContact CD2-CZ 3.39Å; F129-F133 HydrophobicContact CD2-CZ 3.39Å; F129-F133 HydrophobicContact CE1-CZ 4.43Å; F129-F133 AromaticContact CE2-CZ 3.99Å; F129-F133 HydrophobicContact CE2-CZ 3.99Å; F129-F133 AromaticContact CG-CE1 3.91Å; F129-F133 HydrophobicContact CG-CE1 3.91Å; F129-F133 AromaticContact CG-CE2 3.84Å; F129-F133 HydrophobicContact CG-CE2 3.84Å; F129-F133 AromaticContact CG-CZ 3.32Å; F129-F133 HydrophobicContact CG-CZ 3.32Å; F129-F133 HydrophobicContact CZ-CZ 4.47Å; F129-F133 VanDerWaalsContact O-CB 3.23Å; F129-F133 WeakPolarHBondContact O-CB 3.47Å; F129-F133 VanDerWaalsContact O-CD1 3.26Å; F129-F133 WeakPolarHBondContact O-CD1 3.43Å; F129-F133 WeakPolarHBondContact O-CD2 3.23Å; F129-F133 WeakPolarHBondContact O-CG 3.25Å; F129-F133 PolarHBondContact O-N 3.48Å; F129-I160 HydrophobicContact CD1-CD1 3.85Å; F129-I160 HydrophobicContact CE1-CD1 3.91Å; F129-L197 HydrophobicContact CE2-CD2 4.24Å; F129-L197 HydrophobicContact CZ-CD2 3.73Å; F129-Y200 HydrophobicContact CD2-CD1 4.49Å; F129-Y200 HydrophobicContact CD2-CD2 4.31Å; F129-Y200 HydrophobicContact CD2-CE1 4.29Å; F129-Y200 HydrophobicContact CD2-CE2 4.11Å; F129-Y200 AromaticContact CE2-CD1 3.99Å; F129-Y200 HydrophobicContact CE2-CD1 3.99Å; F129-Y200 HydrophobicContact CE2-CD2 4.3Å; F129-Y200 HydrophobicContact CE2-CE1 4.16Å; F129-Y200 HydrophobicContact CE2-CE2 4.47Å; F129-Y200 HydrophobicContact CE2-CG 4.07Å
130	P	97.9	Very high	98.3	Very high	94 Å²	94	53.2 Å²	53.2	61%	0.61	27%	0.273	S	S	*	.	H	α-helix	trans	-56	-45.9	-178.5	-24.9	35.2	0	0	0	112.1	E134	P130-E134 WeakPolarHBondContact O-CB 3.19Å; P130-E134 PolarHBondContact O-N 3.29Å
131	E	98.5	Very high	98.3	Very high	89 Å²	89	58.2 Å²	58.2	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-69.9	-39.1	-175.9	-155.5	-162.6	157.9	0	0	112.8	K113 I115 Y128 F129	K113-E131 WeakPolarHBondContact CE-OE1 3.04Å; K113-E131 VanDerWaalsContact NZ-CG 3.33Å; K113-E131 PolarHBondContact NZ-O 2.86Å; K113-E131 IonicContact NZ-OE1 3.63Å; I115-E131 HydrophobicContact CD1-CB 4.09Å; I115-E131 HydrophobicContact CD1-CG 4.01Å; Y128-E131 PolarHBondContact O-N 3.3Å; F129-E131 VanDerWaalsContact C-N 3.28Å; F129-E131 PolarHBondContact O-N 2.87Å
132	C	98.8	Very high	98.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-45.5	176.1	-68.1	0	0	0	0	111.5	L96 I115 Y128 F129 F135 I136 I160	L96-C132 HydrophobicContact CD2-CB 3.9Å; I115-C132 VanDerWaalsContact CD1-SG 3.56Å; Y128-C132 WeakPolarHBondContact O-CB 3.44Å; Y128-C132 PolarHBondContact O-N 2.87Å; Y128-C132 PolarHBondContact O-SG 3.19Å; F129-C132 PolarHBondContact O-N 3.39Å; C132-F135 PolarHBondContact O-N 3.34Å; C132-I136 WeakPolarHBondContact O-CG1 3.41Å; C132-I136 PolarHBondContact O-N 3.07Å; C132-I136 VanDerWaalsContact O-N 3.09Å; C132-I160 HydrophobicContact CB-CD1 4.31Å; C132-I160 HydrophobicContact CB-CG2 3.73Å
133	F	98.6	Very high	98.3	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-39.2	-175.8	-64.1	-4.2	0	0	0	111.1	F129 F135 I136 E137 G163 F164 N167	F129-F133 HydrophobicContact CB-CD2 4.13Å; F129-F133 HydrophobicContact CB-CE1 4.02Å; F129-F133 HydrophobicContact CB-CE2 3.59Å; F129-F133 HydrophobicContact CB-CZ 3.52Å; F129-F133 HydrophobicContact CD1-CE1 4.09Å; F129-F133 AromaticContact CD1-CZ 3.89Å; F129-F133 HydrophobicContact CD1-CZ 3.89Å; F129-F133 HydrophobicContact CD2-CE1 4.37Å; F129-F133 AromaticContact CD2-CE2 3.79Å; F129-F133 HydrophobicContact CD2-CE2 3.79Å; F129-F133 AromaticContact CD2-CZ 3.39Å; F129-F133 HydrophobicContact CD2-CZ 3.39Å; F129-F133 HydrophobicContact CE1-CZ 4.43Å; F129-F133 AromaticContact CE2-CZ 3.99Å; F129-F133 HydrophobicContact CE2-CZ 3.99Å; F129-F133 AromaticContact CG-CE1 3.91Å; F129-F133 HydrophobicContact CG-CE1 3.91Å; F129-F133 AromaticContact CG-CE2 3.84Å; F129-F133 HydrophobicContact CG-CE2 3.84Å; F129-F133 AromaticContact CG-CZ 3.32Å; F129-F133 HydrophobicContact CG-CZ 3.32Å; F129-F133 HydrophobicContact CZ-CZ 4.47Å; F129-F133 VanDerWaalsContact O-CB 3.23Å; F129-F133 WeakPolarHBondContact O-CB 3.47Å; F129-F133 VanDerWaalsContact O-CD1 3.26Å; F129-F133 WeakPolarHBondContact O-CD1 3.43Å; F129-F133 WeakPolarHBondContact O-CD2 3.23Å; F129-F133 WeakPolarHBondContact O-CG 3.25Å; F129-F133 PolarHBondContact O-N 3.48Å; F133-F135 VanDerWaalsContact C-N 3.3Å; F133-F135 PolarHBondContact O-N 3.04Å; F133-I136 PolarHBondContact O-N 2.87Å; F133-E137 WeakPolarHBondContact O-CG 3.39Å; F133-E137 PolarHBondContact O-N 2.99Å; F133-G163 WeakPolarHBondContact CZ-O 3.48Å; F133-F164 HydrophobicContact CB-CD2 3.97Å; F133-F164 HydrophobicContact CB-CE2 4.49Å; F133-F164 HydrophobicContact CD1-CB 3.65Å; F133-F164 AromaticContact CD1-CD2 3.74Å; F133-F164 HydrophobicContact CD1-CD2 3.74Å; F133-F164 HydrophobicContact CD1-CG 4.18Å; F133-F164 HydrophobicContact CE1-CB 3.54Å; F133-F164 HydrophobicContact CE1-CD2 4.44Å; F133-F164 VanDerWaalsContact CE1-N 3.28Å; F133-F164 HydrophobicContact CG-CB 4.44Å; F133-F164 AromaticContact CG-CD2 3.84Å; F133-F164 HydrophobicContact CG-CD2 3.84Å; F133-F164 HydrophobicContact CZ-CB 4.22Å; F133-F164 VanDerWaalsContact CZ-N 3.26Å; F133-N167 HydrophobicContact CD2-CB 3.81Å; F133-N167 HydrophobicContact CE2-CB 3.46Å; F133-N167 VanDerWaalsContact CE2-CB 3.46Å; F133-N167 HydrophobicContact CZ-CB 4.29Å
134	E	98.6	Very high	98.3	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-56.5	-45.1	174.9	-178.4	178.3	-143.8	0	0	111.6	P130 E137 E138	P130-E134 WeakPolarHBondContact O-CB 3.19Å; P130-E134 PolarHBondContact O-N 3.29Å; E134-E137 PolarHBondContact O-N 2.92Å; E134-E138 WeakPolarHBondContact O-CB 3.4Å; E134-E138 PolarHBondContact O-N 3.33Å
135	F	98.8	Very high	98.4	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.035	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-40.5	178.7	-177.9	-98.6	0	0	0	112.7	H94 L96 T111 K113 C132 F133 E138 A139 V146	H94-F135 HydrophobicContact CB-CE1 4Å; H94-F135 HydrophobicContact CB-CZ 3.86Å; L96-F135 HydrophobicContact CB-CD1 3.8Å; L96-F135 HydrophobicContact CB-CE1 3.82Å; L96-F135 HydrophobicContact CD1-CD1 4.15Å; L96-F135 HydrophobicContact CG-CD1 4.35Å; T111-F135 HydrophobicContact CG2-CE2 4.14Å; K113-F135 HydrophobicContact CB-CD1 4.15Å; K113-F135 HydrophobicContact CB-CD2 3.56Å; K113-F135 HydrophobicContact CB-CE1 4.17Å; K113-F135 HydrophobicContact CB-CE2 3.58Å; K113-F135 HydrophobicContact CB-CG 3.84Å; K113-F135 HydrophobicContact CB-CZ 3.88Å; K113-F135 HydrophobicContact CD-CB 3.61Å; K113-F135 HydrophobicContact CD-CD2 3.73Å; K113-F135 HydrophobicContact CD-CG 3.76Å; K113-F135 HydrophobicContact CG-CD2 4.3Å; K113-F135 HydrophobicContact CG-CG 4.45Å; C132-F135 PolarHBondContact O-N 3.34Å; F133-F135 VanDerWaalsContact C-N 3.3Å; F133-F135 PolarHBondContact O-N 3.04Å; F135-E138 PolarHBondContact O-N 3.16Å; F135-A139 PolarHBondContact O-N 2.6Å; F135-V146 HydrophobicContact CD1-CG2 4.37Å; F135-V146 HydrophobicContact CE1-CG2 4.04Å
136	I	98.8	Very high	98.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-44.9	176.3	-66.5	167.5	0	0	0	110.5	W72 L73 L96 C132 F133 A139 K140 V146 V148 I160 F164	W72-I136 HydrophobicContact CZ3-CG2 3.89Å; L73-I136 HydrophobicContact CD1-CG2 4.14Å; L96-I136 HydrophobicContact CD2-CD1 4.02Å; L96-I136 HydrophobicContact CD2-CG1 4.04Å; C132-I136 WeakPolarHBondContact O-CG1 3.41Å; C132-I136 PolarHBondContact O-N 3.07Å; C132-I136 VanDerWaalsContact O-N 3.09Å; F133-I136 PolarHBondContact O-N 2.87Å; I136-A139 PolarHBondContact O-N 3.29Å; I136-K140 PolarHBondContact O-N 2.89Å; I136-K140 VanDerWaalsContact O-N 3.09Å; I136-V146 HydrophobicContact CG2-CG1 4.15Å; I136-V148 HydrophobicContact CD1-CG2 4.01Å; I136-V148 HydrophobicContact CG1-CG2 4.24Å; I136-I160 HydrophobicContact CD1-CG2 4.25Å; I136-F164 HydrophobicContact CB-CD2 4.16Å; I136-F164 HydrophobicContact CB-CE2 4.01Å; I136-F164 HydrophobicContact CB-CZ 4.35Å; I136-F164 HydrophobicContact CD1-CB 4.23Å; I136-F164 HydrophobicContact CD1-CD2 4.16Å; I136-F164 HydrophobicContact CD1-CG 4.05Å; I136-F164 HydrophobicContact CG2-CD1 3.97Å; I136-F164 HydrophobicContact CG2-CD2 3.92Å; I136-F164 HydrophobicContact CG2-CE1 3.64Å; I136-F164 HydrophobicContact CG2-CE2 3.58Å; I136-F164 HydrophobicContact CG2-CG 4.1Å; I136-F164 HydrophobicContact CG2-CZ 3.42Å; I136-F164 VanDerWaalsContact CG2-CZ 3.42Å
137	E	98.3	Very high	98.4	Very high	67 Å²	67	56 Å²	56	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-37	176.5	-73.2	-61.7	164.9	0	0	112.3	F133 E134 K140 R141 F164	F133-E137 WeakPolarHBondContact O-CG 3.39Å; F133-E137 PolarHBondContact O-N 2.99Å; E134-E137 PolarHBondContact O-N 2.92Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-K140 WeakPolarHBondContact OE2-CD 3.19Å; E137-K140 IonicContact OE2-NZ 3.83Å; E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 PolarHBondContact O-N 3.19Å; E137-F164 HydrophobicContact CG-CE2 3.92Å; E137-F164 HydrophobicContact CG-CZ 4.39Å; E137-F164 VanDerWaalsContact OE1-CE2 3.3Å; E137-F164 WeakPolarHBondContact OE1-CE2 3.18Å; E137-F164 WeakPolarHBondContact OE1-CZ 3.35Å
138	E	98.3	Very high	98.5	Very high	60 Å²	60	52.6 Å²	52.6	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-47.3	175.6	-174.5	-174.6	174.7	0	0	111.3	E134 F135 K140 R141 K142	E134-E138 WeakPolarHBondContact O-CB 3.4Å; E134-E138 PolarHBondContact O-N 3.33Å; F135-E138 PolarHBondContact O-N 3.16Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.96Å; E138-R141 PolarHBondContact O-N 2.98Å; E138-K142 HydrophobicContact CG-CD 4.44Å; E138-K142 WeakPolarHBondContact O-CG 3.46Å; E138-K142 PolarHBondContact O-N 3.23Å; E138-K142 VanDerWaalsContact O-N 3.14Å; E138-K142 VanDerWaalsContact OE1-CE 3.28Å; E138-K142 WeakPolarHBondContact OE1-CE 3.5Å; E138-K142 IonicContact OE1-NZ 2.64Å; E138-K142 PolarHBondContact OE1-NZ 3.37Å
139	A	98.3	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-46.4	177	0	0	0	0	0	111.2	H94 F135 I136 R141 K142 G144 V146	H94-A139 HydrophobicContact CB-CB 3.73Å; H94-A139 VanDerWaalsContact CG-CB 3.45Å; F135-A139 PolarHBondContact O-N 2.6Å; I136-A139 PolarHBondContact O-N 3.29Å; A139-R141 PolarHBondContact O-N 3.13Å; A139-K142 PolarHBondContact O-N 2.84Å; A139-G144 WeakPolarHBondContact O-CA 3.35Å; A139-G144 PolarHBondContact O-N 3.13Å; A139-V146 HydrophobicContact CB-CB 3.87Å; A139-V146 HydrophobicContact CB-CG1 4.38Å
140	K	98	Very high	98.5	Very high	76 Å²	76	49.3 Å²	49.3	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-45.3	176.8	-176.1	-166.5	-175.7	179.4	0	112.3	W72 I136 E137 E138 K142 D143	W72-K140 HydrophobicContact CD2-CB 4.31Å; W72-K140 HydrophobicContact CD2-CD 4.37Å; W72-K140 HydrophobicContact CD2-CG 3.89Å; W72-K140 HydrophobicContact CE3-CB 3.82Å; W72-K140 HydrophobicContact CE3-CD 4.28Å; W72-K140 HydrophobicContact CE3-CG 3.88Å; W72-K140 HydrophobicContact CH2-CB 4.37Å; W72-K140 HydrophobicContact CH2-CD 3.51Å; W72-K140 HydrophobicContact CH2-CG 4.04Å; W72-K140 HydrophobicContact CZ2-CD 3.61Å; W72-K140 VanDerWaalsContact CZ2-CE 3.42Å; W72-K140 HydrophobicContact CZ2-CG 4.06Å; W72-K140 HydrophobicContact CZ3-CB 3.85Å; W72-K140 HydrophobicContact CZ3-CD 3.86Å; W72-K140 HydrophobicContact CZ3-CG 3.95Å; I136-K140 PolarHBondContact O-N 2.89Å; I136-K140 VanDerWaalsContact O-N 3.09Å; E137-K140 PolarHBondContact O-N 3.42Å; E137-K140 WeakPolarHBondContact OE2-CD 3.19Å; E137-K140 IonicContact OE2-NZ 3.83Å; E138-K140 VanDerWaalsContact C-N 3.33Å; E138-K140 PolarHBondContact O-N 2.96Å; K140-K142 PolarHBondContact O-N 2.85Å; K140-D143 PolarHBondContact O-N 3.4Å
141	R	98.1	Very high	98.5	Very high	192 Å²	192	47.2 Å²	47.2	73%	0.725	22%	0.219	S	C	*	.	H	α-helix	trans	-65.7	-23.9	-179.9	-179.8	176.1	53.6	-170.8	-7.9	113.2	E137 E138 A139 D143	E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 PolarHBondContact O-N 3.19Å; E138-R141 PolarHBondContact O-N 2.98Å; A139-R141 PolarHBondContact O-N 3.13Å; R141-D143 VanDerWaalsContact C-N 3.26Å
142	K	97.9	Very high	98.4	Very high	117 Å²	117	45.4 Å²	45.4	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	15	173.8	-66.5	179.7	-175.2	170.9	0	112.9	E138 A139 K140 G144	E138-K142 HydrophobicContact CG-CD 4.44Å; E138-K142 WeakPolarHBondContact O-CG 3.46Å; E138-K142 PolarHBondContact O-N 3.23Å; E138-K142 VanDerWaalsContact O-N 3.14Å; E138-K142 VanDerWaalsContact OE1-CE 3.28Å; E138-K142 WeakPolarHBondContact OE1-CE 3.5Å; E138-K142 IonicContact OE1-NZ 2.64Å; E138-K142 PolarHBondContact OE1-NZ 3.37Å; A139-K142 PolarHBondContact O-N 2.84Å; K140-K142 PolarHBondContact O-N 2.85Å; K142-G144 PolarHBondContact O-N 3.11Å; K142-G144 VanDerWaalsContact O-N 3.12Å
143	D	97.9	Very high	98.3	Very high	159 Å²	159	45.4 Å²	45.4	85%	0.85	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.1	-173.7	-62.9	-52.9	0	0	0	112.9	K140 R141	K140-D143 PolarHBondContact O-N 3.4Å; R141-D143 VanDerWaalsContact C-N 3.26Å
144	G	98.5	Very high	98.3	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	23%	0.228	C	C	.	.			trans	-88.9	170.3	179.6	0	0	0	0	0	113.3	W72 T93 A139 K142	W72-G144 WeakPolarHBondContact CB-O 3.27Å; T93-G144 WeakPolarHBondContact OG1-CA 3.33Å; A139-G144 WeakPolarHBondContact O-CA 3.35Å; A139-G144 PolarHBondContact O-N 3.13Å; K142-G144 PolarHBondContact O-N 3.11Å; K142-G144 VanDerWaalsContact O-N 3.12Å
145	V	98.8	Very high	98.3	Very high	21 Å²	21	40.8 Å²	40.8	13%	0.127	20%	0.201	C	C	.	.			trans	-114	122.5	171.5	-178.1	0	0	0	0	108	W72 L74 K91 T93 H94	W72-V145 WeakPolarHBondContact O-CA 3.36Å; L74-V145 HydrophobicContact CD1-CG1 3.54Å; L74-V145 HydrophobicContact CD2-CG1 4.49Å; L74-V145 HydrophobicContact CG-CG1 3.78Å; K91-V145 WeakPolarHBondContact O-CB 3.24Å; T93-V145 PolarHBondContact N-O 2.91Å; T93-V145 PolarHBondContact OG1-N 3.28Å; T93-V145 PolarHBondContact OG1-O 3.06Å; H94-V145 PolarHBondContact N-O 3.09Å; H94-V145 VanDerWaalsContact N-O 3.1Å
146	V	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.3	179.8	60.9	0	0	0	0	111.3	W72 L73 L74 H94 L96 F135 I136 A139 V148	W72-V146 HydrophobicContact CE3-CG1 4.47Å; W72-V146 WeakPolarHBondContact O-CG1 3.48Å; W72-V146 PolarHBondContact O-N 2.97Å; L73-V146 HydrophobicContact CD1-CG1 3.75Å; L74-V146 WeakPolarHBondContact CB-O 3.3Å; L74-V146 PolarHBondContact N-O 3.43Å; H94-V146 HydrophobicContact CB-CB 4.14Å; H94-V146 HydrophobicContact CB-CG2 4.13Å; H94-V146 CarbonylContact O-C 3.48Å; H94-V146 VanDerWaalsContact O-CA 3.29Å; H94-V146 WeakPolarHBondContact O-CA 3.48Å; L96-V146 HydrophobicContact CB-CG2 4.49Å; F135-V146 HydrophobicContact CD1-CG2 4.37Å; F135-V146 HydrophobicContact CE1-CG2 4.04Å; I136-V146 HydrophobicContact CG2-CG1 4.15Å; A139-V146 HydrophobicContact CB-CB 3.87Å; A139-V146 HydrophobicContact CB-CG1 4.38Å; V146-V148 HydrophobicContact CG2-CG2 4.37Å
147	L	98.9	Very high	98.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.7	165.5	177	66.9	0	0	0	109.4	V66 L74 A81 L87 V92 H94 I95 L96	V66-L147 HydrophobicContact CG1-CD1 4.35Å; L74-L147 HydrophobicContact CB-CD1 3.86Å; A81-L147 HydrophobicContact CB-CD2 4.1Å; L87-L147 HydrophobicContact CD2-CD2 3.54Å; V92-L147 HydrophobicContact CG1-CB 4.03Å; V92-L147 HydrophobicContact CG2-CB 4.19Å; H94-L147 PolarHBondContact O-N 2.88Å; I95-L147 CarbonylContact C-O 3.59Å; I95-L147 WeakPolarHBondContact CA-O 3.22Å; I95-L147 HydrophobicContact CG1-CB 4.42Å; L96-L147 PolarHBondContact N-O 3.39Å
148	V	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.9	168.3	-170.7	0	0	0	0	108.2	L73 L74 L75 G76 L96 I136 V146 A157 I160 V161	L73-V148 HydrophobicContact CD1-CG2 4.05Å; L74-V148 PolarHBondContact O-N 3.05Å; L75-V148 WeakPolarHBondContact CA-O 3.47Å; G76-V148 PolarHBondContact N-O 2.94Å; L96-V148 HydrophobicContact CB-CG1 4.35Å; L96-V148 HydrophobicContact CB-CG2 4.23Å; L96-V148 HydrophobicContact CD2-CG1 4.01Å; L96-V148 HydrophobicContact CD2-CG2 4.19Å; L96-V148 HydrophobicContact CG-CG1 4.25Å; L96-V148 WeakPolarHBondContact O-CA 3.07Å; I136-V148 HydrophobicContact CD1-CG2 4.01Å; I136-V148 HydrophobicContact CG1-CG2 4.24Å; V146-V148 HydrophobicContact CG2-CG2 4.37Å; V148-A157 HydrophobicContact CG1-CB 4.06Å; V148-I160 HydrophobicContact CG1-CG2 4.32Å; V148-V161 HydrophobicContact CB-CG2 3.8Å; V148-V161 HydrophobicContact CG1-CG2 4.08Å; V148-V161 HydrophobicContact CG2-CG2 3.91Å
149	H	98.8	Very high	98.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.9	178.9	82.5	93.1	0	0	0	112.9	G76 A81 L96 N97 V98	G76-H149 VanDerWaalsContact O-CA 3.31Å; G76-H149 WeakPolarHBondContact O-CA 3.35Å; G76-H149 VanDerWaalsContact O-CB 3.28Å; G76-H149 WeakPolarHBondContact O-CB 3.31Å; A81-H149 HydrophobicContact CB-CB 4.35Å; L96-H149 PolarHBondContact O-N 3.4Å; N97-H149 VanDerWaalsContact CB-NE2 3.3Å; N97-H149 WeakPolarHBondContact CB-NE2 3.14Å; N97-H149 VanDerWaalsContact CG-CE1 3.44Å; N97-H149 PolarHBondContact OD1-CE1 3.33Å; V98-H149 WeakPolarHBondContact CG2-O 3.47Å; V98-H149 PolarHBondContact N-O 2.91Å
150	C	98.3	Very high	98.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	17%	0.174	C	C	.	.			trans	-127.6	-149.2	164.8	63.2	0	0	0	0	108.7	Q78 V98 A99 G153 R156 A157	Q78-C150 PolarHBondContact N-O 2.84Å; V98-C150 HydrophobicContact CG2-CB 4.1Å; A99-C150 HydrophobicContact CB-CB 4.35Å; C150-G153 PolarHBondContact SG-N 3.43Å; C150-R156 HydrophobicContact CB-CB 3.96Å; C150-A157 HydrophobicContact CB-CB 3.98Å
151	N	97.8	Very high	98.4	Very high	50 Å²	50	31.5 Å²	31.5	27%	0.267	16%	0.158	S	C	.	.	S	Bend	trans	-66.7	-63.2	173.7	-62	82.3	0	0	0	111	Q78 V102 R156	Q78-N151 WeakPolarHBondContact CG-O 3.49Å; Q78-N151 PolarHBondContact N-O 3.44Å; V102-N151 WeakPolarHBondContact CG2-ND2 3.46Å; N151-R156 VanDerWaalsContact OD1-CZ 3.22Å; N151-R156 PolarHBondContact OD1-NH1 2.69Å; N151-R156 PolarHBondContact OD1-NH2 3.22Å
152	A	96.8	Very high	98.4	Very high	51 Å²	51	22.4 Å²	22.4	42%	0.421	12%	0.124	S	C	.	.	S	Bend	trans	-98.4	-7	-175.7	0	0	0	0	0	114	V154 R184	A152-V154 HydrophobicContact CB-CB 4.27Å; A152-V154 HydrophobicContact CB-CG2 3.86Å; A152-V154 PolarHBondContact O-N 3.4Å; A152-R184 PolarHBondContact O-NH2 3.22Å
153	G	96.9	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	62.9	26.5	-173	0	0	0	0	0	113.7	G76 C150 R184	G76-G153 WeakPolarHBondContact O-CA 3.02Å; C150-G153 PolarHBondContact SG-N 3.43Å; G153-R184 PolarHBondContact O-NE 3.16Å
154	V	98.3	Very high	98.5	Very high	42 Å²	42	9.2 Å²	9.2	26%	0.255	6%	0.059	S	C	.	.	S	Bend	trans	-104.3	-47.6	-174.6	170.4	0	0	0	0	111.9	A152 A158 I187 C188	A152-V154 HydrophobicContact CB-CB 4.27Å; A152-V154 HydrophobicContact CB-CG2 3.86Å; A152-V154 PolarHBondContact O-N 3.4Å; V154-A158 WeakPolarHBondContact O-CB 3.27Å; V154-I187 WeakPolarHBondContact O-CA 3.44Å; V154-C188 HydrophobicContact CG1-CB 3.8Å; V154-C188 CarbonylContact O-C 3.57Å; V154-C188 PolarHBondContact O-N 3.12Å
155	S	98.6	Very high	98.5	Very high	5 Å²	5	9 Å²	9	4%	0.035	6%	0.057	C	C	.	.	S	Bend	trans	-114.2	-79.7	-168.2	172.5	0	0	0	0	114	D119 A157 A158 A159 N190 F193	D119-S155 WeakPolarHBondContact OD1-CB 3.48Å; D119-S155 PolarHBondContact OD1-OG 3.38Å; D119-S155 WeakPolarHBondContact OD2-CB 3.37Å; S155-A157 PolarHBondContact O-N 2.94Å; S155-A158 WeakPolarHBondContact O-CB 3.33Å; S155-A158 PolarHBondContact O-N 3.37Å; S155-A159 WeakPolarHBondContact O-CB 3.41Å; S155-A159 PolarHBondContact O-N 3.31Å; S155-N190 PolarHBondContact OG-N 2.74Å; S155-F193 WeakPolarHBondContact OG-CD2 3.38Å
156	R	98.8	Very high	98.4	Very high	16 Å²	16	8.2 Å²	8.2	6%	0.06	5%	0.052	C	C	.	.	H	α-helix	trans	-49.8	-58	-177.4	-71.5	160.8	-77.1	175.3	-0.7	114.2	V98 I117 D119 C150 N151 A158 A159 I160 F193	V98-R156 HydrophobicContact CG2-CB 4.04Å; I117-R156 HydrophobicContact CB-CG 4.39Å; I117-R156 HydrophobicContact CG2-CG 4.08Å; I117-R156 WeakPolarHBondContact O-CD 3.39Å; I117-R156 PolarHBondContact O-NH1 2.74Å; D119-R156 HydrophobicContact CB-CG 4.26Å; D119-R156 IonicContact OD2-CZ 3.39Å; D119-R156 IonicContact OD2-NE 2.86Å; D119-R156 PolarHBondContact OD2-NE 3.45Å; D119-R156 IonicContact OD2-NH2 2.84Å; D119-R156 PolarHBondContact OD2-NH2 3.45Å; C150-R156 HydrophobicContact CB-CB 3.96Å; N151-R156 VanDerWaalsContact OD1-CZ 3.22Å; N151-R156 PolarHBondContact OD1-NH1 2.69Å; N151-R156 PolarHBondContact OD1-NH2 3.22Å; R156-A158 VanDerWaalsContact C-N 3.32Å; R156-A158 PolarHBondContact O-N 3.36Å; R156-A159 PolarHBondContact O-N 3.29Å; R156-I160 WeakPolarHBondContact O-CG1 3.24Å; R156-I160 PolarHBondContact O-N 3.42Å; R156-F193 HydrophobicContact CB-CE2 4.37Å; R156-F193 HydrophobicContact CG-CE2 3.6Å; R156-F193 HydrophobicContact CG-CZ 4.07Å
157	A	98.8	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.3	-39.6	-178.6	0	0	0	0	0	112.2	L75 V98 V148 C150 S155 A159 I160 V161	L75-A157 HydrophobicContact CD1-CB 3.45Å; L75-A157 VanDerWaalsContact CD1-CB 3.45Å; V98-A157 HydrophobicContact CG2-CB 3.95Å; V148-A157 HydrophobicContact CG1-CB 4.06Å; C150-A157 HydrophobicContact CB-CB 3.98Å; S155-A157 PolarHBondContact O-N 2.94Å; A157-A159 PolarHBondContact O-N 3.45Å; A157-I160 PolarHBondContact O-N 3.47Å; A157-V161 VanDerWaalsContact O-CG2 3.31Å; A157-V161 WeakPolarHBondContact O-CG2 3.32Å; A157-V161 PolarHBondContact O-N 2.76Å
158	A	98.8	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-43.7	175.7	0	0	0	0	0	111.4	L75 V154 S155 R156 V161 I162 I187 P189	L75-A158 HydrophobicContact CD2-CB 4.06Å; V154-A158 WeakPolarHBondContact O-CB 3.27Å; S155-A158 WeakPolarHBondContact O-CB 3.33Å; S155-A158 PolarHBondContact O-N 3.37Å; R156-A158 VanDerWaalsContact C-N 3.32Å; R156-A158 PolarHBondContact O-N 3.36Å; A158-V161 PolarHBondContact O-N 2.83Å; A158-I162 WeakPolarHBondContact O-CB 3.36Å; A158-I162 WeakPolarHBondContact O-CD1 3.35Å; A158-I162 WeakPolarHBondContact O-CG1 3.47Å; A158-I162 PolarHBondContact O-N 3.45Å; A158-I187 HydrophobicContact CB-CB 3.86Å; A158-I187 HydrophobicContact CB-CG2 3.72Å; A158-P189 HydrophobicContact CB-CG 4.16Å
159	A	98.8	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-40.4	178.6	0	0	0	0	0	112.6	I125 S155 R156 A157 I162 G163 P189 F193 L197	I125-A159 HydrophobicContact CD1-CB 3.41Å; I125-A159 VanDerWaalsContact CD1-CB 3.41Å; S155-A159 WeakPolarHBondContact O-CB 3.41Å; S155-A159 PolarHBondContact O-N 3.31Å; R156-A159 PolarHBondContact O-N 3.29Å; A157-A159 PolarHBondContact O-N 3.45Å; A159-I162 PolarHBondContact O-N 3.37Å; A159-G163 PolarHBondContact O-N 2.96Å; A159-P189 HydrophobicContact CB-CB 4.24Å; A159-P189 HydrophobicContact CB-CG 4.44Å; A159-F193 HydrophobicContact CB-CB 4.06Å; A159-F193 HydrophobicContact CB-CD2 4.05Å; A159-F193 HydrophobicContact CB-CG 4.32Å; A159-L197 HydrophobicContact CB-CD1 4.1Å
160	I	98.9	Very high	97.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-47.7	172.4	-65.7	-62.4	0	0	0	111	L96 V98 I117 I125 F129 C132 I136 V148 R156 A157 G163 F164	L96-I160 HydrophobicContact CD2-CG2 4.25Å; V98-I160 HydrophobicContact CG1-CG1 4.33Å; V98-I160 HydrophobicContact CG2-CG1 4.4Å; I117-I160 HydrophobicContact CD1-CD1 4.27Å; I125-I160 HydrophobicContact CD1-CD1 4.08Å; I125-I160 HydrophobicContact CD1-CG1 4.29Å; I125-I160 HydrophobicContact CG1-CD1 3.94Å; F129-I160 HydrophobicContact CD1-CD1 3.85Å; F129-I160 HydrophobicContact CE1-CD1 3.91Å; C132-I160 HydrophobicContact CB-CD1 4.31Å; C132-I160 HydrophobicContact CB-CG2 3.73Å; I136-I160 HydrophobicContact CD1-CG2 4.25Å; V148-I160 HydrophobicContact CG1-CG2 4.32Å; R156-I160 WeakPolarHBondContact O-CG1 3.24Å; R156-I160 PolarHBondContact O-N 3.42Å; A157-I160 PolarHBondContact O-N 3.47Å; I160-G163 PolarHBondContact O-N 3.02Å; I160-F164 VanDerWaalsContact O-CB 3.3Å; I160-F164 WeakPolarHBondContact O-CB 3.3Å; I160-F164 PolarHBondContact O-N 3.36Å
161	V	98.8	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-42.5	-179.8	170.6	0	0	0	0	111.7	I69 L73 L75 V148 A157 A158 F164 L165 V180	I69-V161 HydrophobicContact CG1-CG1 4.03Å; I69-V161 HydrophobicContact CG2-CG1 4.43Å; L73-V161 HydrophobicContact CD2-CG1 4.24Å; L75-V161 HydrophobicContact CD1-CG2 4.29Å; V148-V161 HydrophobicContact CB-CG2 3.8Å; V148-V161 HydrophobicContact CG1-CG2 4.08Å; V148-V161 HydrophobicContact CG2-CG2 3.91Å; A157-V161 VanDerWaalsContact O-CG2 3.31Å; A157-V161 WeakPolarHBondContact O-CG2 3.32Å; A157-V161 PolarHBondContact O-N 2.76Å; A158-V161 PolarHBondContact O-N 2.83Å; V161-F164 PolarHBondContact O-N 3.47Å; V161-L165 HydrophobicContact CG1-CD1 4.38Å; V161-L165 WeakPolarHBondContact O-CG 3.28Å; V161-L165 PolarHBondContact O-N 2.79Å; V161-V180 HydrophobicContact CG1-CG1 4.3Å; V161-V180 HydrophobicContact CG1-CG2 3.77Å
162	I	98.8	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-50.1	176	-68.2	161.5	0	0	0	110.1	A158 A159 F164 L165 M166 F173 A176 F177 V180 I187 P189 L197	A158-I162 WeakPolarHBondContact O-CB 3.36Å; A158-I162 WeakPolarHBondContact O-CD1 3.35Å; A158-I162 WeakPolarHBondContact O-CG1 3.47Å; A158-I162 PolarHBondContact O-N 3.45Å; A159-I162 PolarHBondContact O-N 3.37Å; I162-F164 VanDerWaalsContact C-N 3.26Å; I162-F164 PolarHBondContact O-N 3.15Å; I162-L165 PolarHBondContact O-N 3.34Å; I162-M166 HydrophobicContact CG2-CG 4.43Å; I162-M166 HydrophobicContact CG2-SD 3.83Å; I162-M166 VanDerWaalsContact O-CG 3.27Å; I162-M166 WeakPolarHBondContact O-CG 3.41Å; I162-M166 PolarHBondContact O-N 2.9Å; I162-F173 HydrophobicContact CG2-CD2 4.14Å; I162-F173 HydrophobicContact CG2-CE2 4.34Å; I162-A176 HydrophobicContact CG2-CB 4Å; I162-F177 HydrophobicContact CD1-CB 4.45Å; I162-F177 HydrophobicContact CD1-CD2 3.7Å; I162-F177 HydrophobicContact CD1-CE2 4.38Å; I162-F177 HydrophobicContact CD1-CG 4.43Å; I162-V180 HydrophobicContact CG1-CB 4.11Å; I162-V180 HydrophobicContact CG1-CG1 4.5Å; I162-V180 HydrophobicContact CG1-CG2 3.81Å; I162-I187 HydrophobicContact CD1-CD1 4.34Å; I162-P189 HydrophobicContact CD1-CG 4.09Å; I162-L197 HydrophobicContact CB-CD1 4.27Å; I162-L197 HydrophobicContact CG2-CD1 4.02Å; I162-L197 HydrophobicContact CG2-CD2 4.19Å
163	G	98.4	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-39.5	177.4	0	0	0	0	0	112.2	F133 A159 I160 M166 N167	F133-G163 WeakPolarHBondContact CZ-O 3.48Å; A159-G163 PolarHBondContact O-N 2.96Å; I160-G163 PolarHBondContact O-N 3.02Å; G163-M166 PolarHBondContact O-N 3.02Å; G163-N167 WeakPolarHBondContact O-CB 3.26Å; G163-N167 PolarHBondContact O-N 3.25Å
164	F	98.5	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-45.1	177.6	172.8	-98.5	0	0	0	112.2	W72 L73 F133 I136 E137 I160 V161 I162 N167 S168	W72-F164 AromaticContact CH2-CE1 3.67Å; W72-F164 HydrophobicContact CH2-CE1 3.67Å; W72-F164 AromaticContact CH2-CZ 3.9Å; W72-F164 HydrophobicContact CH2-CZ 3.9Å; W72-F164 HydrophobicContact CZ3-CE1 4.15Å; W72-F164 HydrophobicContact CZ3-CZ 4.3Å; L73-F164 HydrophobicContact CD2-CD1 3.83Å; L73-F164 HydrophobicContact CD2-CE1 3.98Å; F133-F164 HydrophobicContact CB-CD2 3.97Å; F133-F164 HydrophobicContact CB-CE2 4.49Å; F133-F164 HydrophobicContact CD1-CB 3.65Å; F133-F164 AromaticContact CD1-CD2 3.74Å; F133-F164 HydrophobicContact CD1-CD2 3.74Å; F133-F164 HydrophobicContact CD1-CG 4.18Å; F133-F164 HydrophobicContact CE1-CB 3.54Å; F133-F164 HydrophobicContact CE1-CD2 4.44Å; F133-F164 VanDerWaalsContact CE1-N 3.28Å; F133-F164 HydrophobicContact CG-CB 4.44Å; F133-F164 AromaticContact CG-CD2 3.84Å; F133-F164 HydrophobicContact CG-CD2 3.84Å; F133-F164 HydrophobicContact CZ-CB 4.22Å; F133-F164 VanDerWaalsContact CZ-N 3.26Å; I136-F164 HydrophobicContact CB-CD2 4.16Å; I136-F164 HydrophobicContact CB-CE2 4.01Å; I136-F164 HydrophobicContact CB-CZ 4.35Å; I136-F164 HydrophobicContact CD1-CB 4.23Å; I136-F164 HydrophobicContact CD1-CD2 4.16Å; I136-F164 HydrophobicContact CD1-CG 4.05Å; I136-F164 HydrophobicContact CG2-CD1 3.97Å; I136-F164 HydrophobicContact CG2-CD2 3.92Å; I136-F164 HydrophobicContact CG2-CE1 3.64Å; I136-F164 HydrophobicContact CG2-CE2 3.58Å; I136-F164 HydrophobicContact CG2-CG 4.1Å; I136-F164 HydrophobicContact CG2-CZ 3.42Å; I136-F164 VanDerWaalsContact CG2-CZ 3.42Å; E137-F164 HydrophobicContact CG-CE2 3.92Å; E137-F164 HydrophobicContact CG-CZ 4.39Å; E137-F164 VanDerWaalsContact OE1-CE2 3.3Å; E137-F164 WeakPolarHBondContact OE1-CE2 3.18Å; E137-F164 WeakPolarHBondContact OE1-CZ 3.35Å; I160-F164 VanDerWaalsContact O-CB 3.3Å; I160-F164 WeakPolarHBondContact O-CB 3.3Å; I160-F164 PolarHBondContact O-N 3.36Å; V161-F164 PolarHBondContact O-N 3.47Å; I162-F164 VanDerWaalsContact C-N 3.26Å; I162-F164 PolarHBondContact O-N 3.15Å; F164-N167 PolarHBondContact O-N 3.17Å; F164-N167 VanDerWaalsContact O-N 3.13Å; F164-S168 WeakPolarHBondContact O-CB 3.48Å; F164-S168 PolarHBondContact O-N 3.34Å; F164-S168 PolarHBondContact O-OG 3.4Å
165	L	98.1	Very high	96.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-44.9	176.6	-69.7	168.6	0	0	0	111.4	I69 L73 V161 I162 N167 E169 T171 A176 L179 V180	I69-L165 HydrophobicContact CG2-CD1 3.89Å; I69-L165 HydrophobicContact CG2-CD2 4.43Å; L73-L165 HydrophobicContact CD2-CD2 4.33Å; V161-L165 HydrophobicContact CG1-CD1 4.38Å; V161-L165 WeakPolarHBondContact O-CG 3.28Å; V161-L165 PolarHBondContact O-N 2.79Å; I162-L165 PolarHBondContact O-N 3.34Å; L165-N167 PolarHBondContact O-N 2.96Å; L165-E169 WeakPolarHBondContact O-CB 3.5Å; L165-E169 PolarHBondContact O-N 3.31Å; L165-T171 PolarHBondContact O-OG1 3.11Å; L165-A176 HydrophobicContact CB-CB 4.05Å; L165-A176 HydrophobicContact CD1-CB 4.44Å; L165-L179 HydrophobicContact CD1-CD2 4.01Å; L165-L179 HydrophobicContact CD2-CD2 4.43Å; L165-V180 HydrophobicContact CD1-CG2 3.59Å
166	M	97.4	Very high	96.7	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.02	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-34.9	172.9	-65.2	169.5	64.8	0	0	111.5	I162 G163 T171 F173 A176 L197 Y200 Q201 K204	I162-M166 HydrophobicContact CG2-CG 4.43Å; I162-M166 HydrophobicContact CG2-SD 3.83Å; I162-M166 VanDerWaalsContact O-CG 3.27Å; I162-M166 WeakPolarHBondContact O-CG 3.41Å; I162-M166 PolarHBondContact O-N 2.9Å; G163-M166 PolarHBondContact O-N 3.02Å; M166-T171 WeakPolarHBondContact CA-O 3.47Å; M166-F173 HydrophobicContact CE-CB 3.84Å; M166-F173 HydrophobicContact SD-CB 4.03Å; M166-F173 HydrophobicContact SD-CD2 4.02Å; M166-A176 HydrophobicContact CG-CB 3.74Å; M166-L197 WeakPolarHBondContact CE-O 3.17Å; M166-L197 HydrophobicContact SD-CD2 4.12Å; M166-Y200 HydrophobicContact CB-CE1 4.41Å; M166-Y200 HydrophobicContact CE-CD1 4.06Å; M166-Q201 HydrophobicContact CE-CB 3.69Å; M166-Q201 HydrophobicContact CE-CG 4.39Å; M166-K204 PolarHBondContact O-NZ 2.89Å
167	N	95.1	Very high	96.7	Very high	64 Å²	64	29.9 Å²	29.9	34%	0.342	17%	0.168	S	C	.	.	H	α-helix	trans	-71.7	-56	178.9	-170.1	54.2	0	0	0	113.1	F133 G163 F164 L165 Q170 Y200 K204	F133-N167 HydrophobicContact CD2-CB 3.81Å; F133-N167 HydrophobicContact CE2-CB 3.46Å; F133-N167 VanDerWaalsContact CE2-CB 3.46Å; F133-N167 HydrophobicContact CZ-CB 4.29Å; G163-N167 WeakPolarHBondContact O-CB 3.26Å; G163-N167 PolarHBondContact O-N 3.25Å; F164-N167 PolarHBondContact O-N 3.17Å; F164-N167 VanDerWaalsContact O-N 3.13Å; L165-N167 PolarHBondContact O-N 2.96Å; N167-Q170 PolarHBondContact O-OE1 2.92Å; N167-Y200 HydrophobicContact CB-CE1 4.49Å; N167-Y200 WeakPolarHBondContact CB-OH 3.38Å; N167-Y200 PolarHBondContact OD1-OH 3.22Å; N167-K204 PolarHBondContact O-NZ 3.16Å; N167-K204 PolarHBondContact OD1-NZ 3.44Å
168	S	93.5	Very high	96.7	Very high	42 Å²	42	32.3 Å²	32.3	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-80.9	-34.7	-168.5	56.8	0	0	0	0	113.6	F164	F164-S168 WeakPolarHBondContact O-CB 3.48Å; F164-S168 PolarHBondContact O-N 3.34Å; F164-S168 PolarHBondContact O-OG 3.4Å
169	E	90.1	Very high	96.6	Very high	75 Å²	75	35.5 Å²	35.5	35%	0.35	20%	0.202	S	C	.	.	S	Bend	trans	-106.1	1.9	-174.5	-61.1	-174.2	-166.3	0	0	112.9	K70 L165 T171	K70-E169 WeakPolarHBondContact CE-OE1 3.29Å; K70-E169 VanDerWaalsContact NZ-CD 3.27Å; K70-E169 IonicContact NZ-OE1 3.32Å; K70-E169 PolarHBondContact NZ-OE1 3.06Å; K70-E169 IonicContact NZ-OE2 2.65Å; K70-E169 PolarHBondContact NZ-OE2 3.25Å; L165-E169 WeakPolarHBondContact O-CB 3.5Å; L165-E169 PolarHBondContact O-N 3.31Å; E169-T171 HydrophobicContact CB-CG2 3.86Å; E169-T171 PolarHBondContact O-N 3.41Å; E169-T171 VanDerWaalsContact O-N 3.11Å
170	Q	89.6	Confident	96.6	Very high	129 Å²	129	35.5 Å²	35.5	60%	0.603	20%	0.202	S	C	*	.			trans	54	27.8	-176.6	-57.3	-71.1	70	0	0	113.3	N167	N167-Q170 PolarHBondContact O-OE1 2.92Å
171	T	91.4	Very high	96.6	Very high	41 Å²	41	39 Å²	39	25%	0.252	22%	0.217	S	C	.	.			trans	-80.9	146.2	179	54.6	0	0	0	0	111.2	L165 M166 E169	L165-T171 PolarHBondContact O-OG1 3.11Å; M166-T171 WeakPolarHBondContact CA-O 3.47Å; E169-T171 HydrophobicContact CB-CG2 3.86Å; E169-T171 PolarHBondContact O-N 3.41Å; E169-T171 VanDerWaalsContact O-N 3.11Å
172	S	96.3	Very high	96.6	Very high	46 Å²	46	45.3 Å²	45.3	32%	0.322	25%	0.25	S	S	.	.			trans	-62.7	154	171.1	66.2	0	0	0	0	111.5	T174 S175 A176	S172-T174 VanDerWaalsContact C-N 3.28Å; S172-T174 PolarHBondContact O-N 2.96Å; S172-S175 PolarHBondContact O-N 3.37Å; S172-S175 VanDerWaalsContact O-N 3.15Å; S172-S175 PolarHBondContact OG-N 3.34Å; S172-S175 PolarHBondContact OG-OG 3.04Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.3Å
173	F	97.1	Very high	96.6	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-48.6	-49.4	172.6	169.2	-104.9	0	0	0	111.5	I162 M166 S175 A176 F177 M194 L197 R198	I162-F173 HydrophobicContact CG2-CD2 4.14Å; I162-F173 HydrophobicContact CG2-CE2 4.34Å; M166-F173 HydrophobicContact CE-CB 3.84Å; M166-F173 HydrophobicContact SD-CB 4.03Å; M166-F173 HydrophobicContact SD-CD2 4.02Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 2.82Å; F173-A176 PolarHBondContact O-N 2.94Å; F173-F177 HydrophobicContact CE2-CB 4.47Å; F173-F177 HydrophobicContact CE2-CD2 4.37Å; F173-F177 HydrophobicContact CZ-CB 4.46Å; F173-F177 HydrophobicContact CZ-CD2 4.14Å; F173-F177 WeakPolarHBondContact O-CB 3.43Å; F173-F177 PolarHBondContact O-N 3.44Å; F173-M194 HydrophobicContact CE1-CE 4.4Å; F173-M194 HydrophobicContact CE2-SD 4.3Å; F173-M194 HydrophobicContact CZ-CE 3.67Å; F173-M194 HydrophobicContact CZ-SD 3.84Å; F173-L197 HydrophobicContact CD2-CB 3.71Å; F173-L197 HydrophobicContact CD2-CD1 4.49Å; F173-L197 HydrophobicContact CE2-CB 3.66Å; F173-L197 HydrophobicContact CE2-CD1 3.94Å; F173-L197 HydrophobicContact CE2-CG 4.43Å; F173-R198 HydrophobicContact CD1-CG 4.08Å; F173-R198 HydrophobicContact CE1-CG 4.15Å; F173-R198 HydrophobicContact CG-CG 4.44Å
174	T	97.4	Very high	96.5	Very high	94 Å²	94	46.8 Å²	46.8	58%	0.577	26%	0.262	S	S	*	.	H	α-helix	trans	-59.3	-43.4	-179.3	-54.4	0	0	0	0	112	S172 S178	S172-T174 VanDerWaalsContact C-N 3.28Å; S172-T174 PolarHBondContact O-N 2.96Å; T174-S178 VanDerWaalsContact O-CB 3.3Å; T174-S178 WeakPolarHBondContact O-CB 3.4Å; T174-S178 PolarHBondContact O-N 2.88Å; T174-S178 PolarHBondContact O-OG 3.46Å
175	S	97.6	Very high	96.5	Very high	70 Å²	70	50.5 Å²	50.5	49%	0.49	29%	0.287	S	S	.	.	H	α-helix	trans	-69.7	-45.7	179	-65.1	0	0	0	0	111.8	S172 F173 S178 L179	S172-S175 PolarHBondContact O-N 3.37Å; S172-S175 VanDerWaalsContact O-N 3.15Å; S172-S175 PolarHBondContact OG-N 3.34Å; S172-S175 PolarHBondContact OG-OG 3.04Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 2.82Å; S175-S178 PolarHBondContact O-N 3.31Å; S175-L179 WeakPolarHBondContact O-CB 3.36Å; S175-L179 PolarHBondContact O-N 2.99Å
176	A	98.3	Very high	96.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-47.5	177.5	0	0	0	0	0	111.4	I162 L165 M166 S172 F173 S178 L179 V180	I162-A176 HydrophobicContact CG2-CB 4Å; L165-A176 HydrophobicContact CB-CB 4.05Å; L165-A176 HydrophobicContact CD1-CB 4.44Å; M166-A176 HydrophobicContact CG-CB 3.74Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 3.3Å; F173-A176 PolarHBondContact O-N 2.94Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.2Å; A176-L179 PolarHBondContact O-N 3.35Å; A176-V180 WeakPolarHBondContact O-CG2 3.27Å; A176-V180 PolarHBondContact O-N 3.22Å; A176-V180 VanDerWaalsContact O-N 3.08Å
177	F	98.6	Very high	96.5	Very high	43 Å²	43	52.5 Å²	52.5	19%	0.189	30%	0.301	C	S	.	.	H	α-helix	trans	-57.1	-47.8	175.7	-176.9	-83.7	0	0	0	111.4	I162 F173 L179 V180 K181 I187 P189 M194	I162-F177 HydrophobicContact CD1-CB 4.45Å; I162-F177 HydrophobicContact CD1-CD2 3.7Å; I162-F177 HydrophobicContact CD1-CE2 4.38Å; I162-F177 HydrophobicContact CD1-CG 4.43Å; F173-F177 HydrophobicContact CE2-CB 4.47Å; F173-F177 HydrophobicContact CE2-CD2 4.37Å; F173-F177 HydrophobicContact CZ-CB 4.46Å; F173-F177 HydrophobicContact CZ-CD2 4.14Å; F173-F177 WeakPolarHBondContact O-CB 3.43Å; F173-F177 PolarHBondContact O-N 3.44Å; F177-L179 VanDerWaalsContact C-N 3.35Å; F177-L179 PolarHBondContact O-N 3.35Å; F177-V180 PolarHBondContact O-N 2.77Å; F177-K181 HydrophobicContact CD1-CB 4.38Å; F177-K181 HydrophobicContact CE1-CB 4.18Å; F177-K181 HydrophobicContact CE1-CG 4.32Å; F177-K181 VanDerWaalsContact O-CB 3.26Å; F177-K181 WeakPolarHBondContact O-CB 3.43Å; F177-K181 PolarHBondContact O-N 3.32Å; F177-I187 HydrophobicContact CE2-CD1 4.45Å; F177-P189 HydrophobicContact CE2-CG 4.41Å; F177-M194 HydrophobicContact CD2-CE 4Å; F177-M194 HydrophobicContact CD2-SD 4Å; F177-M194 HydrophobicContact CE2-CE 3.58Å; F177-M194 HydrophobicContact CE2-SD 3.66Å; F177-M194 HydrophobicContact CZ-CE 4.17Å
178	S	98.4	Very high	96.6	Very high	51 Å²	51	53.4 Å²	53.4	36%	0.357	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-41.2	-179.6	-59.9	0	0	0	0	111.9	T174 S175 A176 V180 K181 N182	T174-S178 VanDerWaalsContact O-CB 3.3Å; T174-S178 WeakPolarHBondContact O-CB 3.4Å; T174-S178 PolarHBondContact O-N 2.88Å; T174-S178 PolarHBondContact O-OG 3.46Å; S175-S178 PolarHBondContact O-N 3.31Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.2Å; S178-V180 PolarHBondContact O-N 3.17Å; S178-K181 PolarHBondContact O-N 3.15Å; S178-N182 WeakPolarHBondContact O-CB 3.36Å; S178-N182 PolarHBondContact O-N 3.23Å; S178-N182 PolarHBondContact O-ND2 3.35Å
179	L	98.4	Very high	96.9	Very high	66 Å²	66	51.7 Å²	51.7	35%	0.346	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-48.5	176	179.4	63	0	0	0	111.3	I69 L165 S175 A176 F177 N182 A183	I69-L179 HydrophobicContact CG2-CD2 4.13Å; I69-L179 HydrophobicContact CG2-CG 4.18Å; L165-L179 HydrophobicContact CD1-CD2 4.01Å; L165-L179 HydrophobicContact CD2-CD2 4.43Å; S175-L179 WeakPolarHBondContact O-CB 3.36Å; S175-L179 PolarHBondContact O-N 2.99Å; A176-L179 PolarHBondContact O-N 3.35Å; F177-L179 VanDerWaalsContact C-N 3.35Å; F177-L179 PolarHBondContact O-N 3.35Å; L179-N182 PolarHBondContact O-N 3.44Å; L179-A183 PolarHBondContact O-N 3.16Å
180	V	98.6	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-38.4	-179.8	-172.9	0	0	0	0	111.1	I69 L75 V161 I162 L165 A176 F177 S178 N182 A183 R184 I187	I69-V180 HydrophobicContact CD1-CB 4.35Å; I69-V180 HydrophobicContact CD1-CG1 3.93Å; I69-V180 HydrophobicContact CD1-CG2 4.41Å; I69-V180 HydrophobicContact CG2-CG2 4.22Å; L75-V180 HydrophobicContact CD2-CG1 3.55Å; V161-V180 HydrophobicContact CG1-CG1 4.3Å; V161-V180 HydrophobicContact CG1-CG2 3.77Å; I162-V180 HydrophobicContact CG1-CB 4.11Å; I162-V180 HydrophobicContact CG1-CG1 4.5Å; I162-V180 HydrophobicContact CG1-CG2 3.81Å; L165-V180 HydrophobicContact CD1-CG2 3.59Å; A176-V180 WeakPolarHBondContact O-CG2 3.27Å; A176-V180 PolarHBondContact O-N 3.22Å; A176-V180 VanDerWaalsContact O-N 3.08Å; F177-V180 PolarHBondContact O-N 2.77Å; S178-V180 PolarHBondContact O-N 3.17Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 2.96Å; V180-A183 PolarHBondContact O-N 3.3Å; V180-R184 PolarHBondContact O-N 3.46Å; V180-I187 HydrophobicContact CB-CD1 3.79Å; V180-I187 HydrophobicContact CG1-CD1 3.67Å; V180-I187 HydrophobicContact CG1-CG2 4.22Å
181	K	98.4	Very high	97.7	Very high	73 Å²	73	47.5 Å²	47.5	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-38.9	177.8	-173.5	63.7	167.6	-176.5	0	112.3	F177 S178 R184 P185 I187	F177-K181 HydrophobicContact CD1-CB 4.38Å; F177-K181 HydrophobicContact CE1-CB 4.18Å; F177-K181 HydrophobicContact CE1-CG 4.32Å; F177-K181 VanDerWaalsContact O-CB 3.26Å; F177-K181 WeakPolarHBondContact O-CB 3.43Å; F177-K181 PolarHBondContact O-N 3.32Å; S178-K181 PolarHBondContact O-N 3.15Å; K181-R184 CarbonylContact O-C 3.56Å; K181-P185 VanDerWaalsContact CE-O 3.24Å; K181-P185 WeakPolarHBondContact CE-O 3.27Å; K181-P185 PolarHBondContact NZ-O 2.72Å; K181-P185 VanDerWaalsContact O-CA 3.28Å; K181-P185 WeakPolarHBondContact O-CA 3.47Å; K181-I187 HydrophobicContact CB-CD1 3.89Å; K181-I187 HydrophobicContact CB-CG1 4.12Å; K181-I187 HydrophobicContact CD-CD1 4.23Å; K181-I187 HydrophobicContact CD-CG1 3.51Å; K181-I187 HydrophobicContact CG-CG1 4.44Å; K181-I187 VanDerWaalsContact N-CD1 3.33Å; K181-I187 PolarHBondContact NZ-O 2.75Å
182	N	98.3	Very high	98	Very high	133 Å²	133	46.1 Å²	46.1	71%	0.711	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-37.3	177.3	-72	-22.3	0	0	0	111.9	S178 L179 V180	S178-N182 WeakPolarHBondContact O-CB 3.36Å; S178-N182 PolarHBondContact O-N 3.23Å; S178-N182 PolarHBondContact O-ND2 3.35Å; L179-N182 PolarHBondContact O-N 3.44Å; V180-N182 VanDerWaalsContact C-N 3.34Å; V180-N182 PolarHBondContact O-N 2.96Å
183	A	98.3	Very high	98.2	Very high	30 Å²	30	43.9 Å²	43.9	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-76	-33.9	177.9	0	0	0	0	0	113	G67 V68 I69 L179 V180	G67-A183 WeakPolarHBondContact CA-O 3.32Å; V68-A183 WeakPolarHBondContact O-CB 3.49Å; I69-A183 HydrophobicContact CD1-CB 3.35Å; L179-A183 PolarHBondContact O-N 3.16Å; V180-A183 PolarHBondContact O-N 3.3Å
184	R	98.1	Very high	98.2	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	27%	0.273	C	S	.	.			trans	-136.5	95.7	174.9	-175.4	165.8	168	80.5	9.5	110.4	D63 Q65 L75 A152 G153 V180 K181 S186 I187	D63-R184 IonicContact OD1-NH1 3.46Å; D63-R184 PolarHBondContact OD1-NH1 3.4Å; D63-R184 IonicContact OD2-CZ 3.01Å; D63-R184 IonicContact OD2-NH1 2.72Å; D63-R184 PolarHBondContact OD2-NH1 3.42Å; D63-R184 IonicContact OD2-NH2 2.74Å; D63-R184 PolarHBondContact OD2-NH2 3.29Å; Q65-R184 PolarHBondContact O-NH1 3.01Å; L75-R184 HydrophobicContact CD2-CB 4.38Å; A152-R184 PolarHBondContact O-NH2 3.22Å; G153-R184 PolarHBondContact O-NE 3.16Å; V180-R184 PolarHBondContact O-N 3.46Å; K181-R184 CarbonylContact O-C 3.56Å; R184-S186 WeakPolarHBondContact CG-OG 3.44Å; R184-S186 PolarHBondContact NE-OG 3.25Å; R184-S186 PolarHBondContact NH2-OG 2.81Å; R184-S186 PolarHBondContact O-N 3.09Å; R184-I187 HydrophobicContact CB-CG2 4.03Å; R184-I187 HydrophobicContact CG-CG2 4.06Å; R184-I187 WeakPolarHBondContact O-CG2 3.31Å; R184-I187 PolarHBondContact O-N 3.41Å; R184-I187 VanDerWaalsContact O-N 3.17Å
185	P	97.9	Very high	98.3	Very high	78 Å²	78	44.7 Å²	44.7	51%	0.506	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.6	-175.6	-28.2	36.7	0	0	0	115.2	K181 I187	K181-P185 VanDerWaalsContact CE-O 3.24Å; K181-P185 WeakPolarHBondContact CE-O 3.27Å; K181-P185 PolarHBondContact NZ-O 2.72Å; K181-P185 VanDerWaalsContact O-CA 3.28Å; K181-P185 WeakPolarHBondContact O-CA 3.47Å; P185-I187 VanDerWaalsContact C-N 3.3Å; P185-I187 PolarHBondContact O-N 3.45Å
186	S	96.7	Very high	98.3	Very high	47 Å²	47	42.7 Å²	42.7	33%	0.329	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11	179.6	59.5	0	0	0	0	114.1	R184 C188	R184-S186 WeakPolarHBondContact CG-OG 3.44Å; R184-S186 PolarHBondContact NE-OG 3.25Å; R184-S186 PolarHBondContact NH2-OG 2.81Å; R184-S186 PolarHBondContact O-N 3.09Å; S186-C188 PolarHBondContact O-N 2.86Å
187	I	98.4	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.249	C	C	.	.			trans	-59.8	138.7	-177.2	72	169.2	0	0	0	111.7	L75 V154 A158 I162 F177 V180 K181 R184 P185	L75-I187 HydrophobicContact CD2-CG2 3.57Å; V154-I187 WeakPolarHBondContact O-CA 3.44Å; A158-I187 HydrophobicContact CB-CB 3.86Å; A158-I187 HydrophobicContact CB-CG2 3.72Å; I162-I187 HydrophobicContact CD1-CD1 4.34Å; F177-I187 HydrophobicContact CE2-CD1 4.45Å; V180-I187 HydrophobicContact CB-CD1 3.79Å; V180-I187 HydrophobicContact CG1-CD1 3.67Å; V180-I187 HydrophobicContact CG1-CG2 4.22Å; K181-I187 HydrophobicContact CB-CD1 3.89Å; K181-I187 HydrophobicContact CB-CG1 4.12Å; K181-I187 HydrophobicContact CD-CD1 4.23Å; K181-I187 HydrophobicContact CD-CG1 3.51Å; K181-I187 HydrophobicContact CG-CG1 4.44Å; K181-I187 VanDerWaalsContact N-CD1 3.33Å; K181-I187 PolarHBondContact NZ-O 2.75Å; R184-I187 HydrophobicContact CB-CG2 4.03Å; R184-I187 HydrophobicContact CG-CG2 4.06Å; R184-I187 WeakPolarHBondContact O-CG2 3.31Å; R184-I187 PolarHBondContact O-N 3.41Å; R184-I187 VanDerWaalsContact O-N 3.17Å; P185-I187 VanDerWaalsContact C-N 3.3Å; P185-I187 PolarHBondContact O-N 3.45Å
188	C	98.2	Very high	98.2	Very high	83 Å²	83	45.3 Å²	45.3	56%	0.561	26%	0.258	S	S	*	.			trans	-161.8	78.1	176.2	-164	0	0	0	0	107.6	V154 S186 N190	V154-C188 HydrophobicContact CG1-CB 3.8Å; V154-C188 CarbonylContact O-C 3.57Å; V154-C188 PolarHBondContact O-N 3.12Å; S186-C188 PolarHBondContact O-N 2.86Å; C188-N190 PolarHBondContact O-N 3.29Å
189	P	98.5	Very high	98	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.039	26%	0.262	C	S	.	.			trans	-49.4	140.4	168.8	-23.7	34	0	0	0	111.1	A158 A159 I162 F177 F193 M194	A158-P189 HydrophobicContact CB-CG 4.16Å; A159-P189 HydrophobicContact CB-CB 4.24Å; A159-P189 HydrophobicContact CB-CG 4.44Å; I162-P189 HydrophobicContact CD1-CG 4.09Å; F177-P189 HydrophobicContact CE2-CG 4.41Å; P189-F193 HydrophobicContact CB-CB 4.21Å; P189-M194 HydrophobicContact CB-CG 3.98Å; P189-M194 HydrophobicContact CB-SD 3.83Å; P189-M194 HydrophobicContact CG-SD 3.98Å; P189-M194 WeakPolarHBondContact O-CG 3.39Å
190	N	98.6	Very high	97.9	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	26%	0.255	C	S	.	.			trans	-60.1	161.9	176.8	74.5	53	0	0	0	110.9	D119 P121 S155 C188 G192 F193 M194	D119-N190 PolarHBondContact OD1-ND2 3.28Å; D119-N190 VanDerWaalsContact OD1-ND2 3.16Å; P121-N190 WeakPolarHBondContact CA-OD1 3.49Å; S155-N190 PolarHBondContact OG-N 2.74Å; C188-N190 PolarHBondContact O-N 3.29Å; N190-G192 VanDerWaalsContact C-N 3.28Å; N190-G192 PolarHBondContact O-N 2.93Å; N190-G192 WeakPolarHBondContact OD1-CA 3.37Å; N190-G192 PolarHBondContact OD1-N 3.18Å; N190-F193 WeakPolarHBondContact ND2-CD2 3.46Å; N190-F193 WeakPolarHBondContact ND2-CE2 3.5Å; N190-F193 WeakPolarHBondContact ND2-CG 3.39Å; N190-F193 WeakPolarHBondContact ND2-CZ 3.47Å; N190-F193 PolarHBondContact O-N 3.07Å; N190-F193 VanDerWaalsContact O-N 3.17Å; N190-F193 PolarHBondContact OD1-N 3.41Å; N190-M194 WeakPolarHBondContact O-CG 3.41Å; N190-M194 PolarHBondContact O-N 2.72Å
191	S	98.4	Very high	97.5	Very high	90 Å²	90	48.2 Å²	48.2	63%	0.629	27%	0.265	S	S	*	.	H	α-helix	trans	-57.2	-38.7	-175.1	49.6	0	0	0	0	113.5	M194 E195	S191-M194 PolarHBondContact O-N 3.22Å; S191-E195 PolarHBondContact O-N 3.05Å
192	G	98.6	Very high	97	Very high	12 Å²	12	50.6 Å²	50.6	12%	0.124	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-41.2	178.3	0	0	0	0	0	112.8	P121 N190 E195 Q196	P121-G192 WeakPolarHBondContact O-CA 3.31Å; N190-G192 VanDerWaalsContact C-N 3.28Å; N190-G192 PolarHBondContact O-N 2.93Å; N190-G192 WeakPolarHBondContact OD1-CA 3.37Å; N190-G192 PolarHBondContact OD1-N 3.18Å; G192-E195 PolarHBondContact O-N 2.92Å; G192-Q196 WeakPolarHBondContact O-CB 3.48Å; G192-Q196 VanDerWaalsContact O-CG 3.27Å; G192-Q196 WeakPolarHBondContact O-CG 3.38Å; G192-Q196 PolarHBondContact O-N 3.23Å; G192-Q196 PolarHBondContact O-NE2 3.08Å
193	F	98.7	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-39.4	174.7	-65.2	-12.5	0	0	0	112.2	I117 T123 I125 S155 R156 A159 P189 N190 E195 Q196 L197	I117-F193 HydrophobicContact CG2-CZ 4.46Å; T123-F193 HydrophobicContact CG2-CE1 4.34Å; T123-F193 HydrophobicContact CG2-CZ 4.5Å; T123-F193 WeakPolarHBondContact O-CE1 3.44Å; I125-F193 HydrophobicContact CB-CD1 3.69Å; I125-F193 HydrophobicContact CB-CE1 3.71Å; I125-F193 HydrophobicContact CB-CG 4.33Å; I125-F193 HydrophobicContact CB-CZ 4.35Å; I125-F193 HydrophobicContact CD1-CD1 4.14Å; I125-F193 HydrophobicContact CD1-CD2 3.85Å; I125-F193 HydrophobicContact CD1-CE1 4.2Å; I125-F193 HydrophobicContact CD1-CE2 3.94Å; I125-F193 HydrophobicContact CD1-CG 3.97Å; I125-F193 HydrophobicContact CD1-CZ 4.1Å; I125-F193 HydrophobicContact CG1-CD1 4.45Å; I125-F193 HydrophobicContact CG1-CE1 4.33Å; I125-F193 HydrophobicContact CG1-CZ 4.49Å; I125-F193 HydrophobicContact CG2-CB 4.48Å; I125-F193 HydrophobicContact CG2-CD1 3.81Å; I125-F193 HydrophobicContact CG2-CE1 4.35Å; I125-F193 HydrophobicContact CG2-CG 4.24Å; S155-F193 WeakPolarHBondContact OG-CD2 3.38Å; R156-F193 HydrophobicContact CB-CE2 4.37Å; R156-F193 HydrophobicContact CG-CE2 3.6Å; R156-F193 HydrophobicContact CG-CZ 4.07Å; A159-F193 HydrophobicContact CB-CB 4.06Å; A159-F193 HydrophobicContact CB-CD2 4.05Å; A159-F193 HydrophobicContact CB-CG 4.32Å; P189-F193 HydrophobicContact CB-CB 4.21Å; N190-F193 WeakPolarHBondContact ND2-CD2 3.46Å; N190-F193 WeakPolarHBondContact ND2-CE2 3.5Å; N190-F193 WeakPolarHBondContact ND2-CG 3.39Å; N190-F193 WeakPolarHBondContact ND2-CZ 3.47Å; N190-F193 PolarHBondContact O-N 3.07Å; N190-F193 VanDerWaalsContact O-N 3.17Å; N190-F193 PolarHBondContact OD1-N 3.41Å; F193-E195 VanDerWaalsContact C-N 3.27Å; F193-E195 PolarHBondContact O-N 2.86Å; F193-Q196 PolarHBondContact O-N 2.98Å; F193-L197 WeakPolarHBondContact O-CB 3.36Å; F193-L197 VanDerWaalsContact O-CG 3.27Å; F193-L197 WeakPolarHBondContact O-CG 3.37Å; F193-L197 PolarHBondContact O-N 3.06Å
194	M	98.5	Very high	95.3	Very high	34 Å²	34	46.8 Å²	46.8	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-42.3	174.4	-69.5	-69.6	-82.4	0	0	111.1	F173 F177 P189 N190 S191 R198	F173-M194 HydrophobicContact CE1-CE 4.4Å; F173-M194 HydrophobicContact CE2-SD 4.3Å; F173-M194 HydrophobicContact CZ-CE 3.67Å; F173-M194 HydrophobicContact CZ-SD 3.84Å; F177-M194 HydrophobicContact CD2-CE 4Å; F177-M194 HydrophobicContact CD2-SD 4Å; F177-M194 HydrophobicContact CE2-CE 3.58Å; F177-M194 HydrophobicContact CE2-SD 3.66Å; F177-M194 HydrophobicContact CZ-CE 4.17Å; P189-M194 HydrophobicContact CB-CG 3.98Å; P189-M194 HydrophobicContact CB-SD 3.83Å; P189-M194 HydrophobicContact CG-SD 3.98Å; P189-M194 WeakPolarHBondContact O-CG 3.39Å; N190-M194 WeakPolarHBondContact O-CG 3.41Å; N190-M194 PolarHBondContact O-N 2.72Å; S191-M194 PolarHBondContact O-N 3.22Å; M194-R198 WeakPolarHBondContact O-CG 3.32Å; M194-R198 PolarHBondContact O-N 3.22Å
195	E	98.3	Very high	94.2	Very high	95 Å²	95	52.1 Å²	52.1	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-45.8	178.5	-170.6	57.7	-164.8	0	0	112.5	S191 G192 F193 L197 R198 I199	S191-E195 PolarHBondContact O-N 3.05Å; G192-E195 PolarHBondContact O-N 2.92Å; F193-E195 VanDerWaalsContact C-N 3.27Å; F193-E195 PolarHBondContact O-N 2.86Å; E195-L197 VanDerWaalsContact C-N 3.26Å; E195-L197 PolarHBondContact O-N 3.38Å; E195-R198 WeakPolarHBondContact O-CB 3.49Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 IonicContact OE2-NH1 3.34Å; E195-R198 PolarHBondContact OE2-NH1 3.02Å; E195-I199 HydrophobicContact CG-CD1 4.11Å; E195-I199 WeakPolarHBondContact O-CG1 3.45Å; E195-I199 PolarHBondContact O-N 3.01Å
196	Q	98.4	Very high	92.8	Very high	27 Å²	27	51.8 Å²	51.8	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-38.6	175.4	-74.8	175.8	62	0	0	112.4	T123 N124 I125 L126 G192 F193 I199 Y200	T123-Q196 PolarHBondContact O-NE2 3.06Å; N124-Q196 PolarHBondContact OD1-OE1 3.06Å; I125-Q196 HydrophobicContact CG2-CB 4.26Å; L126-Q196 HydrophobicContact CD1-CB 4.17Å; L126-Q196 HydrophobicContact CD2-CB 4.09Å; L126-Q196 HydrophobicContact CG-CB 3.96Å; L126-Q196 HydrophobicContact CG-CG 4.49Å; G192-Q196 WeakPolarHBondContact O-CB 3.48Å; G192-Q196 VanDerWaalsContact O-CG 3.27Å; G192-Q196 WeakPolarHBondContact O-CG 3.38Å; G192-Q196 PolarHBondContact O-N 3.23Å; G192-Q196 PolarHBondContact O-NE2 3.08Å; F193-Q196 PolarHBondContact O-N 2.98Å; Q196-I199 PolarHBondContact O-N 3.06Å; Q196-Y200 VanDerWaalsContact O-CB 3.31Å; Q196-Y200 WeakPolarHBondContact O-CB 3.47Å; Q196-Y200 PolarHBondContact O-N 3.42Å
197	L	98.1	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-37.4	175.2	-75.4	166.5	0	0	0	112.5	F129 A159 I162 M166 F173 F193 E195 Y200 Q201	F129-L197 HydrophobicContact CE2-CD2 4.24Å; F129-L197 HydrophobicContact CZ-CD2 3.73Å; A159-L197 HydrophobicContact CB-CD1 4.1Å; I162-L197 HydrophobicContact CB-CD1 4.27Å; I162-L197 HydrophobicContact CG2-CD1 4.02Å; I162-L197 HydrophobicContact CG2-CD2 4.19Å; M166-L197 WeakPolarHBondContact CE-O 3.17Å; M166-L197 HydrophobicContact SD-CD2 4.12Å; F173-L197 HydrophobicContact CD2-CB 3.71Å; F173-L197 HydrophobicContact CD2-CD1 4.49Å; F173-L197 HydrophobicContact CE2-CB 3.66Å; F173-L197 HydrophobicContact CE2-CD1 3.94Å; F173-L197 HydrophobicContact CE2-CG 4.43Å; F193-L197 WeakPolarHBondContact O-CB 3.36Å; F193-L197 VanDerWaalsContact O-CG 3.27Å; F193-L197 WeakPolarHBondContact O-CG 3.37Å; F193-L197 PolarHBondContact O-N 3.06Å; E195-L197 VanDerWaalsContact C-N 3.26Å; E195-L197 PolarHBondContact O-N 3.38Å; L197-Y200 PolarHBondContact O-N 3.24Å; L197-Q201 PolarHBondContact O-N 3.06Å
198	R	96.5	Very high	89.8	Confident	100 Å²	100	60.5 Å²	60.5	38%	0.377	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-47.5	174.7	-67.7	-179.2	-163.9	108.5	4.1	111.5	F173 M194 E195 Y200 Q201 E202	F173-R198 HydrophobicContact CD1-CG 4.08Å; F173-R198 HydrophobicContact CE1-CG 4.15Å; F173-R198 HydrophobicContact CG-CG 4.44Å; M194-R198 WeakPolarHBondContact O-CG 3.32Å; M194-R198 PolarHBondContact O-N 3.22Å; E195-R198 WeakPolarHBondContact O-CB 3.49Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 IonicContact OE2-NH1 3.34Å; E195-R198 PolarHBondContact OE2-NH1 3.02Å; R198-Y200 PolarHBondContact O-N 3.42Å; R198-Q201 WeakPolarHBondContact O-CB 3.29Å; R198-Q201 PolarHBondContact O-N 3.06Å; R198-E202 PolarHBondContact O-N 3.16Å
199	I	95.1	Very high	87.9	Confident	84 Å²	84	59.7 Å²	59.7	43%	0.431	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-40.8	175.5	-66.3	167.3	0	0	0	110.6	E195 Q196 Q201 E202 G203	E195-I199 HydrophobicContact CG-CD1 4.11Å; E195-I199 WeakPolarHBondContact O-CG1 3.45Å; E195-I199 PolarHBondContact O-N 3.01Å; Q196-I199 PolarHBondContact O-N 3.06Å; I199-Q201 VanDerWaalsContact C-N 3.27Å; I199-Q201 PolarHBondContact O-N 2.85Å; I199-E202 PolarHBondContact O-N 3.12Å; I199-G203 PolarHBondContact O-N 3.14Å; I199-G203 VanDerWaalsContact O-N 3.08Å
200	Y	94.7	Very high	86.1	Confident	49 Å²	49	63.5 Å²	63.5	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-35.4	176.4	-178	-110.5	0	0	0	112.6	L126 F129 M166 N167 Q196 L197 R198 K204	L126-Y200 HydrophobicContact CD2-CD2 4.36Å; L126-Y200 HydrophobicContact CD2-CG 4.25Å; F129-Y200 HydrophobicContact CD2-CD1 4.49Å; F129-Y200 HydrophobicContact CD2-CD2 4.31Å; F129-Y200 HydrophobicContact CD2-CE1 4.29Å; F129-Y200 HydrophobicContact CD2-CE2 4.11Å; F129-Y200 AromaticContact CE2-CD1 3.99Å; F129-Y200 HydrophobicContact CE2-CD1 3.99Å; F129-Y200 HydrophobicContact CE2-CD2 4.3Å; F129-Y200 HydrophobicContact CE2-CE1 4.16Å; F129-Y200 HydrophobicContact CE2-CE2 4.47Å; F129-Y200 HydrophobicContact CE2-CG 4.07Å; M166-Y200 HydrophobicContact CB-CE1 4.41Å; M166-Y200 HydrophobicContact CE-CD1 4.06Å; N167-Y200 HydrophobicContact CB-CE1 4.49Å; N167-Y200 WeakPolarHBondContact CB-OH 3.38Å; N167-Y200 PolarHBondContact OD1-OH 3.22Å; Q196-Y200 VanDerWaalsContact O-CB 3.31Å; Q196-Y200 WeakPolarHBondContact O-CB 3.47Å; Q196-Y200 PolarHBondContact O-N 3.42Å; L197-Y200 PolarHBondContact O-N 3.24Å; R198-Y200 PolarHBondContact O-N 3.42Å; Y200-K204 HydrophobicContact CD1-CD 4.41Å; Y200-K204 HydrophobicContact CE1-CD 3.8Å; Y200-K204 WeakPolarHBondContact O-CG 3.41Å; Y200-K204 PolarHBondContact O-N 2.75Å
201	Q	91.9	Very high	84.2	Confident	45 Å²	45	70.7 Å²	70.7	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-47.9	173.4	-172.6	179.4	-53.3	0	0	111.9	M166 L197 R198 I199 G203 K204 E205	M166-Q201 HydrophobicContact CE-CB 3.69Å; M166-Q201 HydrophobicContact CE-CG 4.39Å; L197-Q201 PolarHBondContact O-N 3.06Å; R198-Q201 WeakPolarHBondContact O-CB 3.29Å; R198-Q201 PolarHBondContact O-N 3.06Å; I199-Q201 VanDerWaalsContact C-N 3.27Å; I199-Q201 PolarHBondContact O-N 2.85Å; Q201-G203 VanDerWaalsContact C-N 3.33Å; Q201-G203 PolarHBondContact O-N 2.95Å; Q201-K204 WeakPolarHBondContact O-CA 3.44Å; Q201-K204 WeakPolarHBondContact O-CB 3.48Å; Q201-K204 PolarHBondContact O-N 2.91Å; Q201-E205 PolarHBondContact NE2-OE1 3.25Å; Q201-E205 PolarHBondContact O-N 2.78Å
202	E	86.1	Confident	82.4	Confident	123 Å²	123	71.1 Å²	71.1	58%	0.575	35%	0.353	S	S	*	.	H	α-helix	trans	-58.3	-46	-178.3	-65.8	175.8	178.6	0	0	111.3	R198 I199 K204 E205 S206	R198-E202 PolarHBondContact O-N 3.16Å; I199-E202 PolarHBondContact O-N 3.12Å; E202-K204 PolarHBondContact O-N 3.32Å; E202-E205 PolarHBondContact O-N 2.84Å; E202-S206 PolarHBondContact O-N 2.89Å; E202-S206 PolarHBondContact O-OG 2.86Å
203	G	82.4	Confident	80.5	Confident	35 Å²	35	76.5 Å²	76.5	36%	0.361	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-31	175.9	0	0	0	0	0	113.2	I199 Q201 N207	I199-G203 PolarHBondContact O-N 3.14Å; I199-G203 VanDerWaalsContact O-N 3.08Å; Q201-G203 VanDerWaalsContact C-N 3.33Å; Q201-G203 PolarHBondContact O-N 2.95Å; G203-N207 PolarHBondContact O-N 2.99Å; G203-N207 PolarHBondContact O-ND2 3.1Å
204	K	78.3	Confident	78.4	Confident	47 Å²	47	83.6 Å²	83.6	20%	0.204	41%	0.409	C	S	.	.	H	α-helix	trans	-75.3	-33.2	175	-71.9	-169.5	66.4	160.7	0	113	M166 N167 Y200 Q201 E202 K208	M166-K204 PolarHBondContact O-NZ 2.89Å; N167-K204 PolarHBondContact O-NZ 3.16Å; N167-K204 PolarHBondContact OD1-NZ 3.44Å; Y200-K204 HydrophobicContact CD1-CD 4.41Å; Y200-K204 HydrophobicContact CE1-CD 3.8Å; Y200-K204 WeakPolarHBondContact O-CG 3.41Å; Y200-K204 PolarHBondContact O-N 2.75Å; Q201-K204 WeakPolarHBondContact O-CA 3.44Å; Q201-K204 WeakPolarHBondContact O-CB 3.48Å; Q201-K204 PolarHBondContact O-N 2.91Å; E202-K204 PolarHBondContact O-N 3.32Å; K204-K208 WeakPolarHBondContact O-CB 3.41Å; K204-K208 PolarHBondContact O-N 3.24Å; K204-K208 VanDerWaalsContact O-N 3.17Å
205	E	75.4	Confident	76.3	Confident	113 Å²	113	88.8 Å²	88.8	53%	0.528	44%	0.437	S	S	.	.	H	α-helix	trans	-69.4	-40.8	176.8	-69.6	176.9	-172.7	0	0	111.4	Q201 E202 K208 C209	Q201-E205 PolarHBondContact NE2-OE1 3.25Å; Q201-E205 PolarHBondContact O-N 2.78Å; E202-E205 PolarHBondContact O-N 2.84Å; E205-K208 WeakPolarHBondContact O-CB 3.3Å; E205-K208 PolarHBondContact O-N 3.28Å; E205-C209 PolarHBondContact O-N 2.97Å; E205-C209 VanDerWaalsContact O-N 3.14Å
206	S	69.3	Low	74.2	Confident	72 Å²	72	88.9 Å²	88.9	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-50.1	173.9	-57.8	0	0	0	0	112.1	E202 K208 C209 D210	E202-S206 PolarHBondContact O-N 2.89Å; E202-S206 PolarHBondContact O-OG 2.86Å; S206-K208 PolarHBondContact O-N 2.97Å; S206-K208 VanDerWaalsContact O-N 3.15Å; S206-C209 WeakPolarHBondContact O-CB 3.46Å; S206-C209 PolarHBondContact O-N 3.39Å; S206-D210 PolarHBondContact O-N 3.08Å; S206-D210 VanDerWaalsContact O-N 3.16Å
207	N	68	Low	71.7	Confident	101 Å²	101	95.5 Å²	95.5	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-25.9	177.3	-76.8	-53.9	0	0	0	113.5	G203 R211	G203-N207 PolarHBondContact O-N 2.99Å; G203-N207 PolarHBondContact O-ND2 3.1Å; N207-R211 WeakPolarHBondContact O-CG 3.38Å; N207-R211 PolarHBondContact O-N 3.34Å
208	K	62.8	Low	70.4	Confident	129 Å²	129	100.3 Å²	100.3	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-75.3	-37.8	175.1	-171.8	178.6	179	-177.2	0	111.4	K204 E205 S206 I212	K204-K208 WeakPolarHBondContact O-CB 3.41Å; K204-K208 PolarHBondContact O-N 3.24Å; K204-K208 VanDerWaalsContact O-N 3.17Å; E205-K208 WeakPolarHBondContact O-CB 3.3Å; E205-K208 PolarHBondContact O-N 3.28Å; S206-K208 PolarHBondContact O-N 2.97Å; S206-K208 VanDerWaalsContact O-N 3.15Å; K208-I212 HydrophobicContact CG-CD1 4.22Å; K208-I212 WeakPolarHBondContact O-CD1 3.31Å; K208-I212 VanDerWaalsContact O-CG1 3.29Å; K208-I212 WeakPolarHBondContact O-CG1 3.33Å; K208-I212 PolarHBondContact O-N 3.31Å
209	C	58.9	Low	69	Low	66 Å²	66	100.3 Å²	100.3	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-45.3	176.4	-163.6	0	0	0	0	111.2	E205 S206 R211 I212 Q213	E205-C209 PolarHBondContact O-N 2.97Å; E205-C209 VanDerWaalsContact O-N 3.14Å; S206-C209 WeakPolarHBondContact O-CB 3.46Å; S206-C209 PolarHBondContact O-N 3.39Å; C209-R211 PolarHBondContact O-N 2.95Å; C209-I212 PolarHBondContact O-N 3.01Å; C209-I212 VanDerWaalsContact O-N 3.16Å; C209-Q213 PolarHBondContact O-N 3.29Å
210	D	60.3	Low	67.5	Low	85 Å²	85	101.2 Å²	101.2	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-42.1	-179	-59.9	-27.8	0	0	0	111.9	S206 I212 Q213 E214	S206-D210 PolarHBondContact O-N 3.08Å; S206-D210 VanDerWaalsContact O-N 3.16Å; D210-I212 VanDerWaalsContact C-N 3.31Å; D210-I212 PolarHBondContact O-N 3.43Å; D210-Q213 PolarHBondContact O-N 3.42Å; D210-E214 PolarHBondContact O-N 2.79Å; D210-E214 VanDerWaalsContact O-N 3.16Å
211	R	59.4	Low	65.9	Low	178 Å²	178	104.3 Å²	104.3	67%	0.672	56%	0.556	S	S	*	*	H	α-helix	trans	-67.9	-24.2	176.6	-71.8	-179.7	-175.9	-140.4	1.4	114.6	N207 C209 N215	N207-R211 WeakPolarHBondContact O-CG 3.38Å; N207-R211 PolarHBondContact O-N 3.34Å; C209-R211 PolarHBondContact O-N 2.95Å; R211-N215 PolarHBondContact O-N 3.34Å; R211-N215 PolarHBondContact O-ND2 3.42Å
212	I	61.7	Low	64.3	Low	98 Å²	98	108 Å²	108	50%	0.503	58%	0.577	S	S	.	*	H	α-helix	trans	-77.8	-33.9	176.3	-68.8	166.5	0	0	0	110	K208 C209 D210 S216	K208-I212 HydrophobicContact CG-CD1 4.22Å; K208-I212 WeakPolarHBondContact O-CD1 3.31Å; K208-I212 VanDerWaalsContact O-CG1 3.29Å; K208-I212 WeakPolarHBondContact O-CG1 3.33Å; K208-I212 PolarHBondContact O-N 3.31Å; C209-I212 PolarHBondContact O-N 3.01Å; C209-I212 VanDerWaalsContact O-N 3.16Å; D210-I212 VanDerWaalsContact C-N 3.31Å; D210-I212 PolarHBondContact O-N 3.43Å; I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.33Å; I212-S216 PolarHBondContact O-OG 3.13Å
213	Q	56.8	Low	62.9	Low	125 Å²	125	107 Å²	107	58%	0.584	58%	0.578	S	S	*	*	H	α-helix	trans	-70.4	-38.8	176.2	-66.4	-177.2	7.3	0	0	112.2	C209 D210 S216 S217	C209-Q213 PolarHBondContact O-N 3.29Å; D210-Q213 PolarHBondContact O-N 3.42Å; Q213-S216 PolarHBondContact O-N 3.02Å; Q213-S217 PolarHBondContact O-OG 3.27Å
214	E	56.1	Low	61.5	Low	150 Å²	150	112.1 Å²	112.1	70%	0.701	59%	0.593	S	S	*	*	H	α-helix	trans	-68.6	-32.2	177	-73.4	-178.4	163.9	0	0	114	D210 S216	D210-E214 PolarHBondContact O-N 2.79Å; D210-E214 VanDerWaalsContact O-N 3.16Å; E214-S216 VanDerWaalsContact C-N 3.33Å
215	N	53.1	Low	60.2	Low	142 Å²	142	117.2 Å²	117.2	76%	0.759	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-2	178.7	-73.7	-45.7	0	0	0	114	R211	R211-N215 PolarHBondContact O-N 3.34Å; R211-N215 PolarHBondContact O-ND2 3.42Å
216	S	54.6	Low	58.9	Low	98 Å²	98	117.5 Å²	117.5	69%	0.685	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	7.7	178.8	-54.5	0	0	0	0	112.8	I212 Q213 E214	I212-S216 WeakPolarHBondContact O-CB 3.46Å; I212-S216 PolarHBondContact O-N 3.33Å; I212-S216 PolarHBondContact O-OG 3.13Å; Q213-S216 PolarHBondContact O-N 3.02Å; E214-S216 VanDerWaalsContact C-N 3.33Å
217	S	45.5	Very low	57.9	Low	166 Å²	166	121.6 Å²	121.6	100%	1.161	64%	0.642	S	S	*	*			trans	-111.8	0	179.5	-57.7	0	0	0	0	112	Q213	Q213-S217 PolarHBondContact O-OG 3.27Å

Retrieved 217 of 217 residues in 278.4 ms (Link to these results)

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