X5D9K6_HUMAN Loading...

Lysophosphatidic acid phosphatase 6 isoform B

AlphaFold DB , UniProt , Accession X5D9K6, Species HUMAN (Homo sapiens, Human), Gene ACP6, Length 213 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	37.6	Very low	40.2	Very low	238 Å²	238	165.7 Å²	165.7	100%	1.172	85%	0.851	S	S	*	*				0	133.8	0	-84	-157.7	-81.8	0	0	108.4
2	I	39.3	Very low	41	Very low	168 Å²	168	161.4 Å²	161.4	86%	0.862	84%	0.838	S	S	*	*			trans	73.5	91.5	172.9	-40.3	-179.8	0	0	0	116.2
3	T	34.6	Very low	41.5	Very low	135 Å²	135	156.3 Å²	156.3	83%	0.828	82%	0.821	S	S	*	*			trans	-85.2	122.1	158.9	36.5	0	0	0	0	109.3
4	G	36.9	Very low	42.3	Very low	73 Å²	73	153.4 Å²	153.4	75%	0.753	81%	0.812	S	S	*	*			trans	-95.5	111	172.7	0	0	0	0	0	110.8
5	V	41.7	Very low	42.9	Very low	131 Å²	131	145.8 Å²	145.8	79%	0.794	79%	0.786	S	S	*	*			trans	-103.1	115.1	172	176.9	0	0	0	0	108	S7	V5-S7 PolarHBondContact O-N 3.22Å
6	F	40	Very low	43.5	Very low	209 Å²	209	142.4 Å²	142.4	92%	0.917	77%	0.771	S	S	*	*			trans	-72.2	110.3	167.5	-90.8	-92.3	0	0	0	109.1
7	S	41.2	Very low	44	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	77%	0.766	S	S	*	*			trans	-83.7	109.1	169.1	-179.1	0	0	0	0	109.2	V5 R9	V5-S7 PolarHBondContact O-N 3.22Å; S7-R9 PolarHBondContact O-N 2.88Å
8	M	38.4	Very low	44.6	Very low	174 Å²	174	138.3 Å²	138.3	86%	0.857	75%	0.751	S	S	*	*			trans	-74.3	106.5	163.7	-74	-175.7	83.1	0	0	108.4	L10	M8-L10 PolarHBondContact O-N 2.83Å
9	R	44.1	Very low	45.4	Very low	209 Å²	209	135.1 Å²	135.1	79%	0.789	74%	0.74	S	S	*	*			trans	-72.4	104.4	165.2	-74.2	-176.3	176.1	-162.8	-1.8	108.3	S7 W11	S7-R9 PolarHBondContact O-N 2.88Å; R9-W11 PolarHBondContact O-N 2.86Å; R9-W11 VanDerWaalsContact O-N 3.12Å
10	L	43.1	Very low	46.4	Very low	159 Å²	159	133.4 Å²	133.4	83%	0.832	73%	0.729	S	S	*	*			trans	-68.8	102.6	163.1	-91.3	111.9	0	0	0	108.4	M8 T12	M8-L10 PolarHBondContact O-N 2.83Å; L10-T12 PolarHBondContact O-N 2.73Å
11	W	45	Very low	47.3	Very low	228 Å²	228	129.8 Å²	129.8	86%	0.864	72%	0.717	S	S	*	*			trans	-76.6	100.2	161.8	-85	30.1	0	0	0	108	R9	R9-W11 PolarHBondContact O-N 2.86Å; R9-W11 VanDerWaalsContact O-N 3.12Å
12	T	50.5	Low	48.8	Very low	114 Å²	114	125.3 Å²	125.3	70%	0.699	69%	0.689	S	S	*	*			trans	-68.2	123.7	160.2	28.9	0	0	0	0	107.9	L10 V14	L10-T12 PolarHBondContact O-N 2.73Å; T12-V14 PolarHBondContact O-N 2.56Å; T12-V14 VanDerWaalsContact O-N 3.09Å
13	P	47.3	Very low	50.1	Low	95 Å²	95	120.5 Å²	120.5	62%	0.617	67%	0.669	S	S	*	*			trans	-66.9	116.1	178.3	25.3	-30.2	0	0	0	108.6	G15 V16	P13-G15 PolarHBondContact O-N 2.89Å; P13-V16 HydrophobicContact CG-CG2 4.38Å; P13-V16 PolarHBondContact O-N 2.87Å
14	V	52.7	Low	51.7	Low	115 Å²	115	119 Å²	119	70%	0.697	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	-20.8	177	173.7	0	0	0	0	112.6	T12 V16 T18	T12-V14 PolarHBondContact O-N 2.56Å; T12-V14 VanDerWaalsContact O-N 3.09Å; V14-V16 PolarHBondContact O-N 3.09Å; V14-T18 HydrophobicContact CG1-CG2 4.3Å; V14-T18 WeakPolarHBondContact O-CG2 3.25Å; V14-T18 PolarHBondContact O-N 3.49Å; V14-T18 PolarHBondContact O-OG1 2.92Å
15	G	50.5	Low	53.1	Low	40 Å²	40	121.1 Å²	121.1	41%	0.412	65%	0.646	S	S	.	*	H	α-helix	trans	-65.5	-27.4	-179.5	0	0	0	0	0	116.3	P13 T18 S19	P13-G15 PolarHBondContact O-N 2.89Å; G15-T18 WeakPolarHBondContact CA-OG1 3.17Å; G15-T18 PolarHBondContact O-OG1 2.81Å; G15-T18 VanDerWaalsContact O-OG1 3.04Å; G15-S19 PolarHBondContact O-N 3.45Å; G15-S19 PolarHBondContact O-OG 3.36Å
16	V	52.6	Low	54.4	Low	92 Å²	92	119.5 Å²	119.5	56%	0.558	63%	0.629	S	S	*	*	H	α-helix	trans	-77.7	-37	-176.4	-178.8	0	0	0	0	111.6	P13 V14 L20	P13-V16 HydrophobicContact CG-CG2 4.38Å; P13-V16 PolarHBondContact O-N 2.87Å; V14-V16 PolarHBondContact O-N 3.09Å; V16-L20 HydrophobicContact CG1-CD1 4.32Å; V16-L20 PolarHBondContact O-N 2.81Å
17	L	52.8	Low	55.7	Low	131 Å²	131	118.1 Å²	118.1	69%	0.686	62%	0.618	S	S	*	*	H	α-helix	trans	-72.5	-35.1	178.3	-74.8	166.5	0	0	0	112	A21	L17-A21 WeakPolarHBondContact O-CB 3.39Å; L17-A21 PolarHBondContact O-N 3.1Å
18	T	55.2	Low	56.8	Low	80 Å²	80	122.7 Å²	122.7	49%	0.491	62%	0.62	S	S	.	*	H	α-helix	trans	-69.5	-38.6	176.2	55.4	0	0	0	0	111.9	V14 G15 A21 Y22	V14-T18 HydrophobicContact CG1-CG2 4.3Å; V14-T18 WeakPolarHBondContact O-CG2 3.25Å; V14-T18 PolarHBondContact O-N 3.49Å; V14-T18 PolarHBondContact O-OG1 2.92Å; G15-T18 WeakPolarHBondContact CA-OG1 3.17Å; G15-T18 PolarHBondContact O-OG1 2.81Å; G15-T18 VanDerWaalsContact O-OG1 3.04Å; T18-A21 PolarHBondContact O-N 3.27Å; T18-Y22 VanDerWaalsContact O-CB 3.24Å; T18-Y22 WeakPolarHBondContact O-CB 3.41Å; T18-Y22 PolarHBondContact O-N 3.2Å
19	S	58.9	Low	58.2	Low	76 Å²	76	117.4 Å²	117.4	53%	0.531	60%	0.597	S	S	.	*	H	α-helix	trans	-66.3	-39.5	175.6	-62.1	0	0	0	0	113.1	G15 C23	G15-S19 PolarHBondContact O-N 3.45Å; G15-S19 PolarHBondContact O-OG 3.36Å; S19-C23 VanDerWaalsContact O-CB 3.27Å; S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.25Å
20	L	64.9	Low	59.2	Low	101 Å²	101	109.6 Å²	109.6	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-66.8	-44.2	174.5	-90.2	155.4	0	0	0	111.8	V16 Y22 C23 L24	V16-L20 HydrophobicContact CG1-CD1 4.32Å; V16-L20 PolarHBondContact O-N 2.81Å; L20-Y22 VanDerWaalsContact C-N 3.34Å; L20-Y22 PolarHBondContact O-N 2.92Å; L20-C23 PolarHBondContact O-N 2.67Å; L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.14Å
21	A	66.8	Low	60	Low	59 Å²	59	107.2 Å²	107.2	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-62.6	-40.9	175.9	0	0	0	0	0	111.9	L17 T18 L24 H25	L17-A21 WeakPolarHBondContact O-CB 3.39Å; L17-A21 PolarHBondContact O-N 3.1Å; T18-A21 PolarHBondContact O-N 3.27Å; A21-L24 PolarHBondContact O-N 3.08Å; A21-H25 VanDerWaalsContact O-CB 3.28Å; A21-H25 WeakPolarHBondContact O-CB 3.11Å; A21-H25 PolarHBondContact O-N 3.17Å
22	Y	67.7	Low	60.7	Low	144 Å²	144	98.8 Å²	98.8	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-44	175.8	-175.6	-102.7	0	0	0	111.9	T18 L20 H25 Q26	T18-Y22 VanDerWaalsContact O-CB 3.24Å; T18-Y22 WeakPolarHBondContact O-CB 3.41Å; T18-Y22 PolarHBondContact O-N 3.2Å; L20-Y22 VanDerWaalsContact C-N 3.34Å; L20-Y22 PolarHBondContact O-N 2.92Å; Y22-H25 PolarHBondContact O-N 2.91Å; Y22-Q26 HydrophobicContact CD1-CG 4.26Å; Y22-Q26 HydrophobicContact CE1-CG 3.93Å; Y22-Q26 VanDerWaalsContact CE1-NE2 3.26Å; Y22-Q26 HydrophobicContact CE2-CG 4.5Å; Y22-Q26 VanDerWaalsContact CZ-NE2 3.34Å; Y22-Q26 WeakPolarHBondContact O-CB 3.3Å; Y22-Q26 WeakPolarHBondContact O-CG 3.44Å; Y22-Q26 PolarHBondContact O-N 3.34Å; Y22-Q26 PolarHBondContact OH-NE2 3Å
23	C	67.2	Low	61.1	Low	67 Å²	67	99.4 Å²	99.4	45%	0.453	54%	0.539	S	S	.	.	H	α-helix	trans	-67.3	-37.9	178.4	-162.9	0	0	0	0	112.1	S19 L20 R27	S19-C23 VanDerWaalsContact O-CB 3.27Å; S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.25Å; L20-C23 PolarHBondContact O-N 2.67Å; C23-R27 WeakPolarHBondContact O-CB 3.42Å; C23-R27 PolarHBondContact O-N 3.32Å
24	L	68.3	Low	61.6	Low	103 Å²	103	100.5 Å²	100.5	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-67.4	-37.4	172.6	-71.7	171.1	0	0	0	112.1	L20 A21 R28	L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.14Å; A21-L24 PolarHBondContact O-N 3.08Å; L24-R28 WeakPolarHBondContact O-CG 3.29Å; L24-R28 PolarHBondContact O-N 2.9Å
25	H	66.4	Low	61.7	Low	118 Å²	118	102 Å²	102	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-46.4	174.7	-174.6	65.1	0	0	0	111.4	A21 Y22 R27 R28 V29	A21-H25 VanDerWaalsContact O-CB 3.28Å; A21-H25 WeakPolarHBondContact O-CB 3.11Å; A21-H25 PolarHBondContact O-N 3.17Å; Y22-H25 PolarHBondContact O-N 2.91Å; H25-R27 VanDerWaalsContact C-N 3.33Å; H25-R27 PolarHBondContact O-N 3.36Å; H25-R28 PolarHBondContact O-N 3.44Å; H25-R28 VanDerWaalsContact O-N 3.1Å; H25-V29 WeakPolarHBondContact O-CG2 3.38Å; H25-V29 PolarHBondContact O-N 3.13Å
26	Q	68.1	Low	61.8	Low	96 Å²	96	107.3 Å²	107.3	45%	0.449	55%	0.552	S	S	.	*	H	α-helix	trans	-60.1	-41	174.1	-76.1	-168	-39	0	0	112.2	Y22 V29 A30	Y22-Q26 HydrophobicContact CD1-CG 4.26Å; Y22-Q26 HydrophobicContact CE1-CG 3.93Å; Y22-Q26 VanDerWaalsContact CE1-NE2 3.26Å; Y22-Q26 HydrophobicContact CE2-CG 4.5Å; Y22-Q26 VanDerWaalsContact CZ-NE2 3.34Å; Y22-Q26 WeakPolarHBondContact O-CB 3.3Å; Y22-Q26 WeakPolarHBondContact O-CG 3.44Å; Y22-Q26 PolarHBondContact O-N 3.34Å; Y22-Q26 PolarHBondContact OH-NE2 3Å; Q26-V29 PolarHBondContact O-N 3.47Å; Q26-A30 VanDerWaalsContact O-CB 3.29Å; Q26-A30 WeakPolarHBondContact O-CB 3.03Å; Q26-A30 PolarHBondContact O-N 2.93Å
27	R	67.4	Low	62	Low	180 Å²	180	106.7 Å²	106.7	68%	0.679	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-40.2	172.9	-91.4	-174.8	169.6	-174.9	-2.2	112.6	C23 H25 L31	C23-R27 WeakPolarHBondContact O-CB 3.42Å; C23-R27 PolarHBondContact O-N 3.32Å; H25-R27 VanDerWaalsContact C-N 3.33Å; H25-R27 PolarHBondContact O-N 3.36Å; R27-L31 VanDerWaalsContact O-CB 3.29Å; R27-L31 WeakPolarHBondContact O-CB 3.36Å; R27-L31 PolarHBondContact O-N 3.4Å
28	R	65.8	Low	62	Low	196 Å²	196	107.5 Å²	107.5	74%	0.74	56%	0.562	S	S	*	*	H	α-helix	trans	-67.2	-40.6	176.2	-79.6	-177.7	178.4	-175.2	0.2	112.3	L24 H25 L31 A32	L24-R28 WeakPolarHBondContact O-CG 3.29Å; L24-R28 PolarHBondContact O-N 2.9Å; H25-R28 PolarHBondContact O-N 3.44Å; H25-R28 VanDerWaalsContact O-N 3.1Å; R28-L31 PolarHBondContact O-N 3.05Å; R28-A32 WeakPolarHBondContact O-CB 3.45Å; R28-A32 PolarHBondContact O-N 3.22Å
29	V	67.3	Low	62	Low	62 Å²	62	106.6 Å²	106.6	38%	0.376	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-46.6	175.4	173.3	0	0	0	0	110.3	H25 Q26 L31 A32 E33	H25-V29 WeakPolarHBondContact O-CG2 3.38Å; H25-V29 PolarHBondContact O-N 3.13Å; Q26-V29 PolarHBondContact O-N 3.47Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.34Å; V29-A32 WeakPolarHBondContact O-CB 3.36Å; V29-A32 PolarHBondContact O-N 3.46Å; V29-A32 VanDerWaalsContact O-N 3.11Å; V29-E33 HydrophobicContact CG1-CG 4.48Å; V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.07Å
30	A	64.1	Low	62.1	Low	45 Å²	45	110.5 Å²	110.5	37%	0.372	58%	0.578	S	S	.	*	H	α-helix	trans	-63.1	-36.8	176.3	0	0	0	0	0	112.9	Q26 L34	Q26-A30 VanDerWaalsContact O-CB 3.29Å; Q26-A30 WeakPolarHBondContact O-CB 3.03Å; Q26-A30 PolarHBondContact O-N 2.93Å; A30-L34 WeakPolarHBondContact O-CB 3.3Å; A30-L34 WeakPolarHBondContact O-CD1 3.41Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 3.35Å
31	L	60.7	Low	62.3	Low	110 Å²	110	111.1 Å²	111.1	58%	0.576	59%	0.589	S	S	*	*	H	α-helix	trans	-67.6	-37.4	172.4	-92.1	155	0	0	0	112.2	R27 R28 V29 Q35	R27-L31 VanDerWaalsContact O-CB 3.29Å; R27-L31 WeakPolarHBondContact O-CB 3.36Å; R27-L31 PolarHBondContact O-N 3.4Å; R28-L31 PolarHBondContact O-N 3.05Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 3.34Å; L31-Q35 WeakPolarHBondContact O-CB 3.11Å; L31-Q35 PolarHBondContact O-N 3.17Å
32	A	58.8	Low	63.1	Low	50 Å²	50	114 Å²	114	41%	0.413	60%	0.603	S	S	.	*	H	α-helix	trans	-69	-40.8	175.9	0	0	0	0	0	111.9	R28 V29 Q35 E36	R28-A32 WeakPolarHBondContact O-CB 3.45Å; R28-A32 PolarHBondContact O-N 3.22Å; V29-A32 WeakPolarHBondContact O-CB 3.36Å; V29-A32 PolarHBondContact O-N 3.46Å; V29-A32 VanDerWaalsContact O-N 3.11Å; A32-Q35 WeakPolarHBondContact O-CB 3.5Å; A32-Q35 PolarHBondContact O-N 3.26Å; A32-E36 PolarHBondContact O-N 3.3Å
33	E	60.2	Low	64.1	Low	127 Å²	127	112.2 Å²	112.2	59%	0.593	61%	0.607	S	S	*	*	H	α-helix	trans	-64.2	-39.5	173.2	-72.5	177.8	164.9	0	0	111.9	V29 Q35 E36 A37	V29-E33 HydrophobicContact CG1-CG 4.48Å; V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.07Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; E33-E36 PolarHBondContact O-N 3.24Å; E33-A37 PolarHBondContact O-N 3.14Å
34	L	57.4	Low	65.3	Low	118 Å²	118	113.1 Å²	113.1	62%	0.618	61%	0.607	S	S	*	*	H	α-helix	trans	-64.4	-36.3	171.5	-82	163	0	0	0	112.1	A30 A37 D38	A30-L34 WeakPolarHBondContact O-CB 3.3Å; A30-L34 WeakPolarHBondContact O-CD1 3.41Å; A30-L34 WeakPolarHBondContact O-CG 3.49Å; A30-L34 PolarHBondContact O-N 3.35Å; L34-A37 PolarHBondContact O-N 3.44Å; L34-D38 WeakPolarHBondContact O-CB 3.27Å; L34-D38 PolarHBondContact O-N 2.9Å
35	Q	53.8	Low	66.4	Low	146 Å²	146	118 Å²	118	68%	0.682	62%	0.619	S	S	*	*	H	α-helix	trans	-71	-34	175.7	-118.2	175.8	-32.7	0	0	112.9	L31 A32 E33 A37 D38 G39	L31-Q35 WeakPolarHBondContact O-CB 3.11Å; L31-Q35 PolarHBondContact O-N 3.17Å; A32-Q35 WeakPolarHBondContact O-CB 3.5Å; A32-Q35 PolarHBondContact O-N 3.26Å; E33-Q35 VanDerWaalsContact C-N 3.32Å; Q35-A37 VanDerWaalsContact C-N 3.31Å; Q35-D38 PolarHBondContact O-N 2.95Å; Q35-G39 PolarHBondContact O-N 2.89Å
36	E	53.5	Low	67.7	Low	152 Å²	152	116.8 Å²	116.8	71%	0.71	62%	0.624	S	S	*	*	H	α-helix	trans	-66.4	-35.1	170.6	-75.6	-160	160.4	0	0	111.8	A32 E33	A32-E36 PolarHBondContact O-N 3.3Å; E33-E36 PolarHBondContact O-N 3.24Å
37	A	56.1	Low	69	Low	79 Å²	79	119 Å²	119	65%	0.653	64%	0.638	S	S	*	*	H	α-helix	trans	-73.7	-30.5	175.8	0	0	0	0	0	113.7	E33 L34 Q35	E33-A37 PolarHBondContact O-N 3.14Å; L34-A37 PolarHBondContact O-N 3.44Å; Q35-A37 VanDerWaalsContact C-N 3.31Å
38	D	53.8	Low	70.4	Confident	148 Å²	148	115.5 Å²	115.5	79%	0.791	63%	0.632	S	S	*	*	H	α-helix	trans	-90.6	-14.6	-178.2	-159	38.6	0	0	0	113.2	L34 Q35	L34-D38 WeakPolarHBondContact O-CB 3.27Å; L34-D38 PolarHBondContact O-N 2.9Å; Q35-D38 PolarHBondContact O-N 2.95Å
39	G	55.1	Low	71.9	Confident	61 Å²	61	114 Å²	114	63%	0.629	63%	0.631	S	S	*	*	S	Bend	trans	-93.3	-7.9	-176.6	0	0	0	0	0	116.2	Q35 C41	Q35-G39 PolarHBondContact O-N 2.89Å; G39-C41 PolarHBondContact O-N 2.88Å
40	Q	61.4	Low	73.4	Confident	159 Å²	159	114.1 Å²	114.1	74%	0.743	63%	0.629	S	S	*	*			trans	-88.8	89.5	177.5	-89.5	160.2	-2.8	0	0	110.5	P42	Q40-P42 VanDerWaalsContact O-CD 3.3Å; Q40-P42 WeakPolarHBondContact O-CD 3.37Å; Q40-P42 VanDerWaalsContact O-N 3.12Å
41	C	69.2	Low	75	Confident	113 Å²	113	119.3 Å²	119.3	76%	0.764	64%	0.643	S	S	*	*			trans	-58	116.2	165.2	-152.3	0	0	0	0	107.6	G39 V43	G39-C41 PolarHBondContact O-N 2.88Å; C41-V43 PolarHBondContact O-N 2.86Å
42	P	81.9	Confident	76.8	Confident	120 Å²	120	120.1 Å²	120.1	78%	0.779	65%	0.646	S	S	*	*			trans	-60	119.1	-175.2	21	-30.3	0	0	0	109.1	Q40 D44	Q40-P42 VanDerWaalsContact O-CD 3.3Å; Q40-P42 WeakPolarHBondContact O-CD 3.37Å; Q40-P42 VanDerWaalsContact O-N 3.12Å; P42-D44 PolarHBondContact O-N 2.89Å; P42-D44 VanDerWaalsContact O-N 3.14Å
43	V	88.8	Confident	78.7	Confident	107 Å²	107	119.9 Å²	119.9	65%	0.648	64%	0.639	S	S	*	*			trans	-71.5	111.7	178.2	-179.9	0	0	0	0	108.2	C41 R45 L48	C41-V43 PolarHBondContact O-N 2.86Å; V43-R45 PolarHBondContact O-N 3.17Å; V43-R45 VanDerWaalsContact O-N 3.08Å; V43-L48 HydrophobicContact CG1-CD1 4.17Å; V43-L48 HydrophobicContact CG1-CD2 4.02Å; V43-L48 HydrophobicContact CG1-CG 4.26Å
44	D	93	Very high	80.6	Confident	85 Å²	85	121.5 Å²	121.5	46%	0.455	65%	0.646	S	S	.	*			trans	-65.2	108.9	170	-179.1	0.2	0	0	0	109.5	P42 S46 L47	P42-D44 PolarHBondContact O-N 2.89Å; P42-D44 VanDerWaalsContact O-N 3.14Å; D44-S46 PolarHBondContact O-N 2.74Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 2.92Å; D44-S46 PolarHBondContact OD1-OG 3.27Å; D44-S46 PolarHBondContact OD2-OG 3.46Å; D44-L47 HydrophobicContact CB-CD1 4.09Å; D44-L47 HydrophobicContact CB-CG 4.16Å; D44-L47 PolarHBondContact O-N 3.14Å
45	R	92.7	Very high	82.5	Confident	205 Å²	205	119.1 Å²	119.1	77%	0.774	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-64.4	-20.7	-179.4	-62.3	-177.7	70.4	102.1	0.1	112.8	V43 L47 L48	V43-R45 PolarHBondContact O-N 3.17Å; V43-R45 VanDerWaalsContact O-N 3.08Å; R45-L47 PolarHBondContact O-N 3.07Å; R45-L48 HydrophobicContact CB-CD1 4.39Å; R45-L48 HydrophobicContact CG-CD1 4.33Å; R45-L48 WeakPolarHBondContact O-CB 3.46Å; R45-L48 PolarHBondContact O-N 3.05Å; R45-L48 VanDerWaalsContact O-N 3.13Å
46	S	93.1	Very high	84.7	Confident	94 Å²	94	119.3 Å²	119.3	66%	0.657	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-66.7	-23.3	177.4	79.7	0	0	0	0	112.5	D44	D44-S46 PolarHBondContact O-N 2.74Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 2.92Å; D44-S46 PolarHBondContact OD1-OG 3.27Å; D44-S46 PolarHBondContact OD2-OG 3.46Å
47	L	95.6	Very high	86.8	Confident	142 Å²	142	115.4 Å²	115.4	74%	0.743	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-84.3	-10.5	175.8	-57	178.9	0	0	0	113.2	D44 R45	D44-L47 HydrophobicContact CB-CD1 4.09Å; D44-L47 HydrophobicContact CB-CG 4.16Å; D44-L47 PolarHBondContact O-N 3.14Å; R45-L47 PolarHBondContact O-N 3.07Å
48	L	96.4	Very high	88.9	Confident	107 Å²	107	120.3 Å²	120.3	56%	0.56	63%	0.63	S	S	*	*			trans	-82.1	135	-178.8	-60.3	179.3	0	0	0	110.9	V43 R45	V43-L48 HydrophobicContact CG1-CD1 4.17Å; V43-L48 HydrophobicContact CG1-CD2 4.02Å; V43-L48 HydrophobicContact CG1-CG 4.26Å; R45-L48 HydrophobicContact CB-CD1 4.39Å; R45-L48 HydrophobicContact CG-CD1 4.33Å; R45-L48 WeakPolarHBondContact O-CB 3.46Å; R45-L48 PolarHBondContact O-N 3.05Å; R45-L48 VanDerWaalsContact O-N 3.13Å
49	K	97.7	Very high	91	Very high	164 Å²	164	114.6 Å²	114.6	71%	0.713	60%	0.599	S	S	*	*			trans	-110.8	118.9	173.2	-179.7	168.4	-179.1	170.8	0	110	K51	K49-K51 HydrophobicContact CG-CD 4.43Å
50	L	98.2	Very high	93.1	Very high	64 Å²	64	112 Å²	112	34%	0.335	57%	0.572	S	S	.	*			trans	-60.1	135.4	172.2	-176	62.7	0	0	0	110.4	V53 Y143 I147 F149	L50-V53 HydrophobicContact CD1-CG2 4.2Å; L50-V53 HydrophobicContact CD2-CG2 3.81Å; L50-V53 HydrophobicContact CG-CG2 4.33Å; L50-Y143 HydrophobicContact CD2-CD1 3.82Å; L50-Y143 HydrophobicContact CD2-CE1 3.95Å; L50-I147 HydrophobicContact CB-CD1 4.19Å; L50-I147 HydrophobicContact CD2-CD1 3.4Å; L50-I147 HydrophobicContact CG-CD1 4.44Å; L50-F149 HydrophobicContact CB-CD2 4.28Å; L50-F149 HydrophobicContact CD2-CB 4.14Å; L50-F149 HydrophobicContact CD2-CD1 3.88Å; L50-F149 HydrophobicContact CD2-CD2 3.99Å; L50-F149 HydrophobicContact CD2-CE1 4.35Å; L50-F149 HydrophobicContact CD2-CE2 4.43Å; L50-F149 HydrophobicContact CD2-CG 3.71Å; L50-F149 HydrophobicContact CG-CD2 3.99Å; L50-F149 HydrophobicContact CG-CE2 4.11Å; L50-F149 HydrophobicContact CG-CG 4.23Å; L50-F149 HydrophobicContact CG-CZ 4.45Å
51	K	98.2	Very high	94.9	Very high	155 Å²	155	106 Å²	106	67%	0.674	55%	0.55	S	S	*	.			trans	-119.4	-34.4	-176.1	-63.3	-61.2	-176.3	164	0	114.2	K49	K49-K51 HydrophobicContact CG-CD 4.43Å
52	M	98.6	Very high	96.3	Very high	127 Å²	127	103.6 Å²	103.6	63%	0.626	52%	0.524	S	S	*	.			trans	-156.3	144.2	-175.3	-176.8	179.5	64.4	0	0	109.4	Q54	M52-Q54 HydrophobicContact CE-CG 4.28Å; M52-Q54 HydrophobicContact CG-CG 4.45Å; M52-Q54 HydrophobicContact SD-CG 4.36Å
53	V	98.7	Very high	97	Very high	44 Å²	44	97.9 Å²	97.9	27%	0.267	49%	0.487	S	S	.	.			trans	-125.3	134.3	171.9	-179.7	0	0	0	0	108	L50 V55 Y143 F149	L50-V53 HydrophobicContact CD1-CG2 4.2Å; L50-V53 HydrophobicContact CD2-CG2 3.81Å; L50-V53 HydrophobicContact CG-CG2 4.33Å; V53-V55 HydrophobicContact CG1-CG2 3.84Å; V53-Y143 HydrophobicContact CG1-CD2 4.38Å; V53-Y143 HydrophobicContact CG1-CE1 4.46Å; V53-Y143 HydrophobicContact CG1-CE2 3.7Å; V53-Y143 HydrophobicContact CG2-CD1 3.98Å; V53-Y143 HydrophobicContact CG2-CE1 3.7Å; V53-Y143 HydrophobicContact CG2-CE2 4.27Å; V53-Y143 HydrophobicContact CG2-CG 4.4Å; V53-F149 HydrophobicContact CB-CE1 4.39Å; V53-F149 HydrophobicContact CG2-CD1 4.16Å; V53-F149 HydrophobicContact CG2-CE1 3.78Å
54	Q	98.8	Very high	97.5	Very high	161 Å²	161	94.5 Å²	94.5	75%	0.752	47%	0.468	S	S	*	.			trans	-122.4	127.3	171.5	-66.2	179.9	85	0	0	108	M52	M52-Q54 HydrophobicContact CE-CG 4.28Å; M52-Q54 HydrophobicContact CG-CG 4.45Å; M52-Q54 HydrophobicContact SD-CG 4.36Å
55	V	98.8	Very high	97.7	Very high	68 Å²	68	93.4 Å²	93.4	41%	0.412	46%	0.462	S	S	.	.			trans	-121.5	113.1	-179.8	-170.9	0	0	0	0	108.7	V53 F57 L139	V53-V55 HydrophobicContact CG1-CG2 3.84Å; V55-F57 HydrophobicContact CG1-CD1 4.17Å; V55-L139 HydrophobicContact CG1-CD1 4.48Å; V55-L139 HydrophobicContact CG2-CD1 4.41Å; V55-L139 HydrophobicContact CG2-CD2 4.06Å
56	V	98.8	Very high	97.8	Very high	151 Å²	151	91.4 Å²	91.4	92%	0.915	46%	0.458	S	S	*	.			trans	-100.6	124.5	167.1	-177.5	0	0	0	0	107.2
57	F	98.8	Very high	97.7	Very high	70 Å²	70	89.6 Å²	89.6	31%	0.307	44%	0.444	S	S	.	.			trans	-134.4	151	-178.9	60.7	-89.4	0	0	0	110.9	V55 M132 L135 T173 L176	V55-F57 HydrophobicContact CG1-CD1 4.17Å; F57-M132 HydrophobicContact CD2-CE 3.28Å; F57-M132 HydrophobicContact CD2-SD 4.49Å; F57-M132 HydrophobicContact CE2-CE 3.55Å; F57-M132 HydrophobicContact CG-CE 4.07Å; F57-L135 HydrophobicContact CB-CD2 4.08Å; F57-L135 HydrophobicContact CG-CD2 4.48Å; F57-T173 HydrophobicContact CZ-CG2 4.46Å; F57-L176 HydrophobicContact CD1-CD1 3.73Å; F57-L176 HydrophobicContact CD2-CD1 4.3Å; F57-L176 HydrophobicContact CE1-CD1 3.68Å; F57-L176 HydrophobicContact CE2-CD1 4.25Å; F57-L176 HydrophobicContact CG-CD1 4.05Å; F57-L176 HydrophobicContact CZ-CD1 3.94Å
58	R	98.8	Very high	97.5	Very high	182 Å²	182	88.7 Å²	88.7	69%	0.687	44%	0.439	S	S	*	.			trans	-86.1	154	167.1	-172.1	-178.1	176.9	-166.1	3.7	109.1
59	H	98.8	Very high	97.3	Very high	28 Å²	28	89.9 Å²	89.9	13%	0.13	45%	0.454	C	S	.	.			trans	-53	159.1	167	65.6	71.9	0	0	0	113.4	R62 N169 S172	H59-R62 WeakPolarHBondContact CE1-CD 3.42Å; H59-R62 PolarHBondContact CE1-NE 2.91Å; H59-R62 PolarHBondContact NE2-NE 2.89Å; H59-N169 VanDerWaalsContact CB-OD1 3.28Å; H59-N169 WeakPolarHBondContact CB-OD1 3.41Å; H59-N169 PolarHBondContact CD2-OD1 3.18Å; H59-N169 VanDerWaalsContact CD2-OD1 3.22Å; H59-S172 VanDerWaalsContact CA-OG 3.25Å; H59-S172 WeakPolarHBondContact CA-OG 3.42Å; H59-S172 VanDerWaalsContact CB-OG 3.28Å; H59-S172 WeakPolarHBondContact CB-OG 3.48Å
60	G	98.8	Very high	97	Very high	7 Å²	7	87.1 Å²	87.1	7%	0.072	45%	0.446	C	S	.	.			trans	-73.6	-174.6	174.1	0	0	0	0	0	114.2	R62 S172	G60-R62 PolarHBondContact O-N 2.87Å; G60-S172 PolarHBondContact N-OG 2.89Å
61	A	98.8	Very high	96.4	Very high	33 Å²	33	93.9 Å²	93.9	27%	0.273	48%	0.476	S	S	.	.			trans	-56.5	133.4	177	0	0	0	0	0	113.2	T125 V127 G128	A61-T125 PolarHBondContact O-N 3.47Å; A61-T125 PolarHBondContact O-OG1 2.65Å; A61-V127 HydrophobicContact CB-CB 4.38Å; A61-V127 HydrophobicContact CB-CG1 4.1Å; A61-G128 WeakPolarHBondContact O-CA 3.25Å
62	R	98.6	Very high	96.1	Very high	61 Å²	61	94.9 Å²	94.9	23%	0.23	48%	0.483	C	S	.	.	B	Isolated β-bridge	trans	-137.9	165	-172.8	59	166.3	179.9	69.9	-1.8	111.7	H59 G60 Q123	H59-R62 WeakPolarHBondContact CE1-CD 3.42Å; H59-R62 PolarHBondContact CE1-NE 2.91Å; H59-R62 PolarHBondContact NE2-NE 2.89Å; G60-R62 PolarHBondContact O-N 2.87Å; R62-Q123 CarbonylContact C-O 3.24Å; R62-Q123 WeakPolarHBondContact CA-O 3.42Å; R62-Q123 WeakPolarHBondContact CB-O 3.29Å
63	S	98.3	Very high	95.8	Very high	0 Å²	0	91.8 Å²	91.8	0%	0	47%	0.467	C	S	.	.			trans	-61.8	155.3	164.5	57	0	0	0	0	111.6	M119 F120 G122 Q123	S63-M119 VanDerWaalsContact CB-CE 3.41Å; S63-M119 WeakPolarHBondContact OG-CE 3.33Å; S63-F120 PolarHBondContact OG-O 3.18Å; S63-G122 PolarHBondContact OG-N 3.17Å; S63-Q123 PolarHBondContact N-O 3.04Å; S63-Q123 PolarHBondContact OG-N 3.2Å
64	P	97.9	Very high	95.6	Very high	37 Å²	37	94.8 Å²	94.8	24%	0.24	49%	0.485	C	S	.	.			trans	-61	157.8	176.4	26.9	-37	0	0	0	111	W76 L115 A121 G122	P64-W76 HydrophobicContact CG-CZ2 4.09Å; P64-L115 HydrophobicContact CG-CD1 3.76Å; P64-L115 HydrophobicContact CG-CD2 4.22Å; P64-A121 WeakPolarHBondContact O-CA 3.41Å; P64-A121 WeakPolarHBondContact O-CB 3.5Å; P64-G122 PolarHBondContact O-N 2.91Å
65	L	96.8	Very high	95.5	Very high	62 Å²	62	93.6 Å²	93.6	33%	0.325	48%	0.48	S	S	.	.	S	Bend	trans	-79.1	-30.2	175.2	-58.1	-175.4	0	0	0	111.6	Y110 A121	L65-Y110 HydrophobicContact CD1-CE1 4.49Å; L65-Y110 HydrophobicContact CD2-CD1 4.21Å; L65-Y110 HydrophobicContact CD2-CE1 3.69Å; L65-Y110 HydrophobicContact CG-CE1 4.49Å; L65-A121 WeakPolarHBondContact O-CB 3.41Å
66	K	94.7	Very high	95.5	Very high	162 Å²	162	93.5 Å²	93.5	70%	0.704	47%	0.472	S	S	*	.	S	Bend	trans	-143.4	140.2	177.1	-63.6	-175	178.2	-177.4	0	108.3
67	P	92.6	Very high	95.4	Very high	56 Å²	56	89.7 Å²	89.7	36%	0.364	45%	0.447	S	S	.	.			trans	-66.9	158.4	171.3	29.5	-33.4	0	0	0	110.6	Q73 L115	P67-Q73 VanDerWaalsContact CB-OE1 3.29Å; P67-L115 HydrophobicContact CB-CD2 4.26Å; P67-L115 HydrophobicContact CG-CD2 4.38Å
68	L	90.9	Very high	95.4	Very high	123 Å²	123	89.1 Å²	89.1	64%	0.644	45%	0.45	S	S	*	.			trans	-72.4	144.3	169.7	-67.4	173.9	0	0	0	109.6	L70 Q73	L68-L70 HydrophobicContact CB-CD1 4.2Å; L68-L70 HydrophobicContact CB-CG 4.25Å; L68-L70 HydrophobicContact CD1-CD1 4.26Å; L68-L70 PolarHBondContact O-N 2.88Å; L68-Q73 PolarHBondContact O-NE2 3.07Å
69	P	91.1	Very high	95.4	Very high	132 Å²	132	85.9 Å²	85.9	86%	0.857	44%	0.443	S	S	*	.	S	Bend	trans	-78.9	59.4	178.2	35.1	-36.6	0	0	0	110.8
70	L	92.9	Very high	95.3	Very high	107 Å²	107	86.9 Å²	86.9	56%	0.56	45%	0.449	S	S	*	.			trans	-121.1	149	177.6	-61.9	173	0	0	0	108.9	L68 Q73	L68-L70 HydrophobicContact CB-CD1 4.2Å; L68-L70 HydrophobicContact CB-CG 4.25Å; L68-L70 HydrophobicContact CD1-CD1 4.26Å; L68-L70 PolarHBondContact O-N 2.88Å; L70-Q73 WeakPolarHBondContact O-CG 3.5Å; L70-Q73 PolarHBondContact O-NE2 3.33Å
71	E	84.9	Confident	95.3	Very high	206 Å²	206	89.5 Å²	89.5	96%	0.963	46%	0.461	S	S	*	.	S	Bend	trans	-63.5	-43.3	176.2	-69.1	-178.2	176.5	0	0	111.1	Q73	E71-Q73 PolarHBondContact O-N 3.38Å
72	E	91.1	Very high	95.3	Very high	176 Å²	176	93 Å²	93	82%	0.822	47%	0.471	S	S	*	.	S	Bend	trans	-89.7	103.2	176.7	-166.5	171.6	-171.1	0	0	110.9
73	Q	92.5	Very high	95.3	Very high	61 Å²	61	93 Å²	93	29%	0.285	48%	0.478	S	S	.	.			trans	-107.5	145.4	173.1	-61.5	179.7	28.2	0	0	111.1	P67 L68 L70 E71 K116	P67-Q73 VanDerWaalsContact CB-OE1 3.29Å; L68-Q73 PolarHBondContact O-NE2 3.07Å; L70-Q73 WeakPolarHBondContact O-CG 3.5Å; L70-Q73 PolarHBondContact O-NE2 3.33Å; E71-Q73 PolarHBondContact O-N 3.38Å; Q73-K116 HydrophobicContact CB-CB 4.39Å; Q73-K116 HydrophobicContact CB-CD 3.97Å; Q73-K116 VanDerWaalsContact O-CD 3.24Å; Q73-K116 WeakPolarHBondContact O-CD 3.49Å; Q73-K116 PolarHBondContact O-NZ 3.07Å
74	V	95.7	Very high	95.3	Very high	107 Å²	107	93.9 Å²	93.9	65%	0.648	48%	0.484	S	S	*	.			trans	-70.2	149.7	169.1	-59.7	0	0	0	0	110.8
75	E	96.9	Very high	95.3	Very high	137 Å²	137	96.6 Å²	96.6	64%	0.64	50%	0.502	S	S	*	.			trans	-87.7	130.8	178.8	-61.4	-170.9	169.4	0	0	111.7	K116	E75-K116 HydrophobicContact CG-CD 3.95Å; E75-K116 HydrophobicContact CG-CG 4.09Å; E75-K116 WeakPolarHBondContact OE1-CE 3.37Å
76	W	97.8	Very high	95.4	Very high	65 Å²	65	97.6 Å²	97.6	25%	0.246	51%	0.505	C	S	.	.			trans	-103.9	92.9	172.1	-68.9	88.2	0	0	0	108.9	P64 L80 L115 K116 G117 M119 T125	P64-W76 HydrophobicContact CG-CZ2 4.09Å; W76-L80 HydrophobicContact CE3-CD1 4.04Å; W76-L80 HydrophobicContact CZ3-CD1 4.43Å; W76-L115 HydrophobicContact CB-CB 4.16Å; W76-L115 HydrophobicContact CB-CD1 4.16Å; W76-L115 HydrophobicContact CD2-CD1 4.32Å; W76-L115 HydrophobicContact CG-CB 4.32Å; W76-L115 HydrophobicContact CG-CD1 3.82Å; W76-K116 PolarHBondContact N-O 3.06Å; W76-G117 CarbonylContact O-C 3.31Å; W76-G117 VanDerWaalsContact O-C 3.24Å; W76-M119 HydrophobicContact CB-CB 3.88Å; W76-M119 HydrophobicContact CB-SD 4.15Å; W76-M119 HydrophobicContact CE3-CE 4.48Å; W76-M119 HydrophobicContact CE3-SD 4.16Å; W76-M119 WeakPolarHBondContact O-CB 3.35Å; W76-M119 PolarHBondContact O-N 3.46Å; W76-T125 HydrophobicContact CZ3-CG2 4.49Å
77	N	97.8	Very high	95.6	Very high	71 Å²	71	89.9 Å²	89.9	38%	0.38	47%	0.471	S	S	.	.			trans	-78.2	130.9	-178.1	-176.8	-25.5	0	0	0	111.2	Q79 L80	N77-Q79 PolarHBondContact ND2-OE1 3.38Å; N77-Q79 PolarHBondContact O-N 3.27Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.29Å; N77-Q79 WeakPolarHBondContact OD1-CG 3.45Å; N77-Q79 PolarHBondContact OD1-N 3.08Å; N77-L80 WeakPolarHBondContact O-CB 3.48Å; N77-L80 WeakPolarHBondContact O-CG 3.33Å; N77-L80 PolarHBondContact O-N 3.3Å
78	P	97.9	Very high	95.9	Very high	59 Å²	59	93 Å²	93	38%	0.383	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-53.3	-21	175	-29.5	35.6	0	0	0	116	L80 L81 G117	P78-L80 PolarHBondContact O-N 3.35Å; P78-L80 VanDerWaalsContact O-N 3.08Å; P78-L81 VanDerWaalsContact O-CB 3.25Å; P78-L81 WeakPolarHBondContact O-CB 3.48Å; P78-L81 PolarHBondContact O-N 3Å; P78-G117 WeakPolarHBondContact CD-O 3.39Å
79	Q	98	Very high	96.2	Very high	114 Å²	114	87.7 Å²	87.7	53%	0.533	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-58.6	-17.7	170.6	-70.2	176.1	-6.8	0	0	113.5	N77 L81 E82 K126	N77-Q79 PolarHBondContact ND2-OE1 3.38Å; N77-Q79 PolarHBondContact O-N 3.27Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.29Å; N77-Q79 WeakPolarHBondContact OD1-CG 3.45Å; N77-Q79 PolarHBondContact OD1-N 3.08Å; Q79-L81 PolarHBondContact O-N 3.48Å; Q79-E82 WeakPolarHBondContact O-CG 3.45Å; Q79-E82 PolarHBondContact O-N 3.29Å; Q79-K126 PolarHBondContact O-NZ 3.39Å; Q79-K126 VanDerWaalsContact O-NZ 3.13Å
80	L	98.3	Very high	96.6	Very high	49 Å²	49	87.7 Å²	87.7	26%	0.257	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-70.8	-12.1	171.5	-67	171.9	0	0	0	113	W76 N77 P78 M119 T125 K126	W76-L80 HydrophobicContact CE3-CD1 4.04Å; W76-L80 HydrophobicContact CZ3-CD1 4.43Å; N77-L80 WeakPolarHBondContact O-CB 3.48Å; N77-L80 WeakPolarHBondContact O-CG 3.33Å; N77-L80 PolarHBondContact O-N 3.3Å; P78-L80 PolarHBondContact O-N 3.35Å; P78-L80 VanDerWaalsContact O-N 3.08Å; L80-M119 HydrophobicContact CB-SD 4.26Å; L80-M119 HydrophobicContact CD1-SD 4.47Å; L80-T125 HydrophobicContact CB-CG2 4.13Å; L80-T125 CarbonylContact O-C 3.05Å; L80-T125 VanDerWaalsContact O-CA 3.29Å; L80-T125 WeakPolarHBondContact O-CA 3.28Å; L80-K126 PolarHBondContact O-N 2.7Å
81	L	98.4	Very high	96.9	Very high	61 Å²	61	85.2 Å²	85.2	32%	0.319	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-91.2	-5.3	177.7	-58.7	175	0	0	0	113.3	P78 Q79 V83 M119 Q123 L124	P78-L81 VanDerWaalsContact O-CB 3.25Å; P78-L81 WeakPolarHBondContact O-CB 3.48Å; P78-L81 PolarHBondContact O-N 3Å; Q79-L81 PolarHBondContact O-N 3.48Å; L81-V83 PolarHBondContact O-N 3.44Å; L81-M119 HydrophobicContact CD1-CG 4.28Å; L81-M119 HydrophobicContact CD2-CE 3.71Å; L81-M119 HydrophobicContact CD2-CG 4.43Å; L81-M119 HydrophobicContact CD2-SD 4.34Å; L81-M119 HydrophobicContact CG-CE 4.42Å; L81-M119 HydrophobicContact CG-CG 4.38Å; L81-M119 HydrophobicContact CG-SD 4.44Å; L81-Q123 HydrophobicContact CD2-CB 3.79Å; L81-L124 WeakPolarHBondContact CD2-O 3.48Å
82	E	98.4	Very high	97.5	Very high	107 Å²	107	79 Å²	79	50%	0.5	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-57.1	122.7	176.7	-70.3	168	177.6	0	0	110.8	Q79 P84 K126	Q79-E82 WeakPolarHBondContact O-CG 3.45Å; Q79-E82 PolarHBondContact O-N 3.29Å; E82-P84 WeakPolarHBondContact O-CD 3.48Å; E82-K126 VanDerWaalsContact O-CB 3.31Å; E82-K126 WeakPolarHBondContact O-CB 3.25Å; E82-K126 IonicContact OE2-NZ 3.45Å; E82-K126 PolarHBondContact OE2-NZ 2.88Å; E82-K126 VanDerWaalsContact OE2-NZ 3.15Å
83	V	98.6	Very high	97.9	Very high	62 Å²	62	72 Å²	72	38%	0.376	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-78.3	119.8	-176.6	-179.1	0	0	0	0	109.8	L81 T87 Q88 M129	L81-V83 PolarHBondContact O-N 3.44Å; V83-T87 WeakPolarHBondContact CG1-OG1 3.44Å; V83-Q88 HydrophobicContact CG1-CG 4.05Å; V83-M129 HydrophobicContact CB-SD 4.38Å; V83-M129 HydrophobicContact CG1-SD 4.27Å; V83-M129 HydrophobicContact CG2-CE 4.18Å; V83-M129 HydrophobicContact CG2-SD 4.25Å
84	P	98.6	Very high	98.2	Very high	18 Å²	18	70 Å²	70	12%	0.117	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61.6	130	174.5	-20	32	0	0	0	110.4	E82 Q86 T87 K126 M129	E82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-Q86 VanDerWaalsContact C-N 3.27Å; P84-Q86 PolarHBondContact O-N 3.37Å; P84-T87 HydrophobicContact CB-CG2 4.15Å; P84-T87 HydrophobicContact CG-CG2 4.44Å; P84-T87 PolarHBondContact O-N 3.13Å; P84-T87 PolarHBondContact O-OG1 3.15Å; P84-K126 HydrophobicContact CG-CB 4.18Å; P84-M129 VanDerWaalsContact CD-SD 3.52Å; P84-M129 HydrophobicContact CG-CB 4.31Å
85	P	98.4	Very high	98.3	Very high	94 Å²	94	66.4 Å²	66.4	61%	0.61	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-54.4	-39.3	-172.5	-29.1	35.4	0	0	0	114.3	T87 Q88	P85-T87 PolarHBondContact O-N 2.95Å; P85-Q88 WeakPolarHBondContact O-CB 3.36Å; P85-Q88 WeakPolarHBondContact O-CG 3.44Å; P85-Q88 PolarHBondContact O-N 3.08Å
86	Q	98	Very high	98.3	Very high	83 Å²	83	63.2 Å²	63.2	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-63	-12.6	178.3	68	-83.6	19.2	0	0	114.2	P84 F133 C183	P84-Q86 VanDerWaalsContact C-N 3.27Å; P84-Q86 PolarHBondContact O-N 3.37Å; Q86-F133 HydrophobicContact CB-CE2 4.22Å; Q86-F133 HydrophobicContact CB-CZ 4.17Å; Q86-F133 HydrophobicContact CG-CD1 4.49Å; Q86-F133 HydrophobicContact CG-CD2 4.38Å; Q86-F133 HydrophobicContact CG-CE1 4.25Å; Q86-F133 HydrophobicContact CG-CE2 4.15Å; Q86-F133 HydrophobicContact CG-CZ 4.08Å; Q86-F133 WeakPolarHBondContact O-CE2 3.49Å; Q86-C183 PolarHBondContact O-SG 2.93Å
87	T	98.4	Very high	98.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-96	-12	178	70.6	0	0	0	0	112.8	V83 P84 P85 F89 M129 F133 R174 C175 A178	V83-T87 WeakPolarHBondContact CG1-OG1 3.44Å; P84-T87 HydrophobicContact CB-CG2 4.15Å; P84-T87 HydrophobicContact CG-CG2 4.44Å; P84-T87 PolarHBondContact O-N 3.13Å; P84-T87 PolarHBondContact O-OG1 3.15Å; P85-T87 PolarHBondContact O-N 2.95Å; T87-F89 PolarHBondContact O-N 3.46Å; T87-F89 VanDerWaalsContact O-N 3.11Å; T87-M129 HydrophobicContact CG2-CB 4.49Å; T87-F133 HydrophobicContact CG2-CB 4.02Å; T87-F133 HydrophobicContact CG2-CD2 3.97Å; T87-F133 HydrophobicContact CG2-CG 4.22Å; T87-R174 PolarHBondContact O-NH1 3.49Å; T87-R174 PolarHBondContact OG1-NH1 2.77Å; T87-C175 HydrophobicContact CG2-CB 4.43Å; T87-A178 WeakPolarHBondContact O-CB 3.36Å
88	Q	98.4	Very high	98.2	Very high	122 Å²	122	63.6 Å²	63.6	57%	0.57	36%	0.362	S	S	*	.			trans	-64.2	114.3	-173.9	-67.4	-178.2	11.9	0	0	110.5	V83 P85 C183	V83-Q88 HydrophobicContact CG1-CG 4.05Å; P85-Q88 WeakPolarHBondContact O-CB 3.36Å; P85-Q88 WeakPolarHBondContact O-CG 3.44Å; P85-Q88 PolarHBondContact O-N 3.08Å; Q88-C183 PolarHBondContact O-SG 2.86Å
89	F	98.4	Very high	98.2	Very high	10 Å²	10	62.1 Å²	62.1	4%	0.044	36%	0.357	C	S	.	.			trans	-152.6	113.9	-177	-153.7	-174.6	0	0	0	109.9	T87 F154 R174 L177 A178 F181 C183 Q184 K185 I189	T87-F89 PolarHBondContact O-N 3.46Å; T87-F89 VanDerWaalsContact O-N 3.11Å; F89-F154 HydrophobicContact CZ-CB 4.37Å; F89-R174 HydrophobicContact CB-CG 4.09Å; F89-R174 VanDerWaalsContact O-CD 3.26Å; F89-R174 WeakPolarHBondContact O-CD 3.49Å; F89-R174 VanDerWaalsContact O-CG 3.29Å; F89-R174 WeakPolarHBondContact O-CG 3.35Å; F89-L177 HydrophobicContact CD1-CB 3.96Å; F89-L177 HydrophobicContact CE1-CB 4.08Å; F89-L177 WeakPolarHBondContact CE1-O 3.42Å; F89-A178 HydrophobicContact CB-CB 4.12Å; F89-A178 HydrophobicContact CD1-CB 4.07Å; F89-F181 HydrophobicContact CE1-CB 4.19Å; F89-F181 HydrophobicContact CZ-CB 4.37Å; F89-C183 HydrophobicContact CD2-CB 4.34Å; F89-C183 HydrophobicContact CE2-CB 4.5Å; F89-C183 VanDerWaalsContact CE2-O 3.29Å; F89-C183 WeakPolarHBondContact CE2-O 3.25Å; F89-C183 VanDerWaalsContact CZ-C 3.48Å; F89-Q184 WeakPolarHBondContact CZ-O 3.36Å; F89-K185 HydrophobicContact CD2-CD 4.2Å; F89-K185 HydrophobicContact CE2-CB 3.82Å; F89-K185 HydrophobicContact CE2-CD 3.61Å; F89-K185 HydrophobicContact CE2-CG 3.78Å; F89-K185 HydrophobicContact CZ-CB 3.92Å; F89-K185 HydrophobicContact CZ-CD 4.41Å; F89-K185 HydrophobicContact CZ-CG 4.39Å; F89-I189 HydrophobicContact CD1-CD1 3.71Å; F89-I189 HydrophobicContact CD2-CD1 3.92Å; F89-I189 HydrophobicContact CE1-CD1 3.59Å; F89-I189 HydrophobicContact CE2-CD1 3.81Å; F89-I189 HydrophobicContact CG-CD1 3.89Å; F89-I189 HydrophobicContact CZ-CD1 3.64Å
90	D	98.6	Very high	98.2	Very high	132 Å²	132	62 Å²	62	71%	0.706	37%	0.366	S	S	*	.			trans	-70.4	135.2	-172.7	-64	-30.6	0	0	0	112.1
91	Y	98.8	Very high	98.2	Very high	55 Å²	55	63.8 Å²	63.8	22%	0.216	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.5	178.4	70.8	-85.2	0	0	0	111.3	V93 L170 E171 R174 I189 I191	Y91-V93 HydrophobicContact CD2-CG2 3.79Å; Y91-V93 HydrophobicContact CE2-CG2 3.46Å; Y91-V93 VanDerWaalsContact CE2-CG2 3.46Å; Y91-L170 HydrophobicContact CE2-CB 4.23Å; Y91-E171 WeakPolarHBondContact CE1-OE1 3.35Å; Y91-E171 PolarHBondContact OH-OE1 3.03Å; Y91-R174 HydrophobicContact CD1-CB 3.98Å; Y91-R174 HydrophobicContact CD1-CG 4.06Å; Y91-R174 HydrophobicContact CE1-CB 3.9Å; Y91-R174 HydrophobicContact CE1-CG 4.18Å; Y91-I189 WeakPolarHBondContact CA-O 3.28Å; Y91-I191 HydrophobicContact CD2-CD1 3.47Å; Y91-I191 VanDerWaalsContact CD2-CD1 3.47Å; Y91-I191 HydrophobicContact CD2-CG1 3.98Å; Y91-I191 HydrophobicContact CE2-CD1 3.82Å; Y91-I191 HydrophobicContact CG-CD1 3.96Å
92	T	98.7	Very high	98.2	Very high	77 Å²	77	61.5 Å²	61.5	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158.4	168.4	58.7	0	0	0	0	110.2	I189 I191	T92-I189 PolarHBondContact N-O 2.75Å; T92-I189 PolarHBondContact OG1-O 3.42Å; T92-I191 PolarHBondContact O-N 3.01Å
93	V	98.8	Very high	98.1	Very high	27 Å²	27	64.1 Å²	64.1	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.4	179.9	-172.5	0	0	0	0	108.9	Y91 K101 L170 I191 T193	Y91-V93 HydrophobicContact CD2-CG2 3.79Å; Y91-V93 HydrophobicContact CE2-CG2 3.46Å; Y91-V93 VanDerWaalsContact CE2-CG2 3.46Å; V93-K101 HydrophobicContact CB-CB 4.27Å; V93-K101 HydrophobicContact CB-CD 3.91Å; V93-K101 HydrophobicContact CB-CG 4.07Å; V93-K101 HydrophobicContact CG1-CB 4.23Å; V93-K101 HydrophobicContact CG1-CD 3.92Å; V93-K101 HydrophobicContact CG1-CG 3.71Å; V93-K101 HydrophobicContact CG2-CD 4.46Å; V93-L170 HydrophobicContact CG1-CD2 4.39Å; V93-L170 HydrophobicContact CG2-CD1 4.11Å; V93-L170 HydrophobicContact CG2-CD2 4.31Å; V93-I191 WeakPolarHBondContact CA-O 3.43Å; V93-T193 HydrophobicContact CG1-CG2 3.59Å
94	T	98.8	Very high	98.1	Very high	21 Å²	21	61.5 Å²	61.5	13%	0.129	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	167	177.6	58.3	0	0	0	0	110	G99 I190 I191 H192 T193	T94-G99 VanDerWaalsContact CA-O 3.26Å; T94-G99 WeakPolarHBondContact CA-O 3.46Å; T94-G99 WeakPolarHBondContact CB-O 3.31Å; T94-G99 WeakPolarHBondContact CG2-O 3.42Å; T94-I190 HydrophobicContact CG2-CG2 3.99Å; T94-I190 WeakPolarHBondContact OG1-CG2 3.45Å; T94-I191 PolarHBondContact N-O 3.02Å; T94-I191 VanDerWaalsContact N-O 3.1Å; T94-H192 PolarHBondContact OG1-ND1 3.04Å; T94-T193 PolarHBondContact O-N 3.27Å; T94-T193 PolarHBondContact O-OG1 3.3Å
95	N	98.4	Very high	98	Very high	30 Å²	30	63.1 Å²	63.1	16%	0.16	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	176.2	164.3	73.6	9.5	0	0	0	110.8	A97 G98 G99 P100 P102 H192 T193	N95-A97 PolarHBondContact O-N 3.46Å; N95-A97 VanDerWaalsContact O-N 3.17Å; N95-A97 WeakPolarHBondContact OD1-CA 3.46Å; N95-A97 PolarHBondContact OD1-N 2.85Å; N95-G98 PolarHBondContact O-N 3.43Å; N95-G98 PolarHBondContact OD1-N 3.19Å; N95-G98 VanDerWaalsContact OD1-N 3.11Å; N95-G99 PolarHBondContact N-O 3.39Å; N95-G99 WeakPolarHBondContact OD1-CA 3.34Å; N95-G99 PolarHBondContact OD1-N 2.92Å; N95-P100 PolarHBondContact N-O 3.01Å; N95-P102 HydrophobicContact CB-CG 3.86Å; N95-H192 PolarHBondContact O-ND1 3.21Å; N95-T193 CarbonylContact C-O 3.59Å; N95-T193 VanDerWaalsContact C-O 3.31Å; N95-T193 WeakPolarHBondContact CA-O 3.26Å
96	L	97.5	Very high	97.9	Very high	71 Å²	71	60.9 Å²	60.9	37%	0.372	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.3	179.7	-64.8	-176.7	0	0	0	113.7	G98 R162 H192 T193 D194	L96-G98 VanDerWaalsContact C-N 3.35Å; L96-R162 HydrophobicContact CD2-CG 4.32Å; L96-H192 HydrophobicContact CD2-CB 4.05Å; L96-T193 PolarHBondContact N-O 3.41Å; L96-D194 HydrophobicContact CD1-CB 4.05Å; L96-D194 VanDerWaalsContact CD1-CG 3.43Å; L96-D194 VanDerWaalsContact CD1-OD2 3.26Å; L96-D194 WeakPolarHBondContact CD1-OD2 3.27Å; L96-D194 HydrophobicContact CG-CB 4.14Å
97	A	97.2	Very high	97.7	Very high	97 Å²	97	58 Å²	58	80%	0.802	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	1.1	177.6	0	0	0	0	0	113.7	N95 G99	N95-A97 PolarHBondContact O-N 3.46Å; N95-A97 VanDerWaalsContact O-N 3.17Å; N95-A97 WeakPolarHBondContact OD1-CA 3.46Å; N95-A97 PolarHBondContact OD1-N 2.85Å; A97-G99 VanDerWaalsContact C-N 3.34Å
98	G	95.6	Very high	97.6	Very high	47 Å²	47	60.2 Å²	60.2	49%	0.485	35%	0.345	S	S	.	.	S	Bend	trans	81.2	10	-176.7	0	0	0	0	0	114.8	N95 L96	N95-G98 PolarHBondContact O-N 3.43Å; N95-G98 PolarHBondContact OD1-N 3.19Å; N95-G98 VanDerWaalsContact OD1-N 3.11Å; L96-G98 VanDerWaalsContact C-N 3.35Å
99	G	97.6	Very high	97.4	Very high	27 Å²	27	59.1 Å²	59.1	28%	0.278	34%	0.339	S	S	.	.			trans	-81.4	-165.2	173.7	0	0	0	0	0	113.7	T94 N95 A97	T94-G99 VanDerWaalsContact CA-O 3.26Å; T94-G99 WeakPolarHBondContact CA-O 3.46Å; T94-G99 WeakPolarHBondContact CB-O 3.31Å; T94-G99 WeakPolarHBondContact CG2-O 3.42Å; N95-G99 PolarHBondContact N-O 3.39Å; N95-G99 WeakPolarHBondContact OD1-CA 3.34Å; N95-G99 PolarHBondContact OD1-N 2.92Å; A97-G99 VanDerWaalsContact C-N 3.34Å
100	P	98.2	Very high	97.2	Very high	111 Å²	111	59.7 Å²	59.7	72%	0.721	34%	0.341	S	S	*	.	S	Bend	trans	-62.1	151.4	-177.3	26.8	-34.4	0	0	0	112.4	N95	N95-P100 PolarHBondContact N-O 3.01Å
101	K	98.3	Very high	97	Very high	87 Å²	87	57.6 Å²	57.6	38%	0.378	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-56.5	126.2	173	179.6	-177.9	-175.9	-77.1	0	110	V93 N165	V93-K101 HydrophobicContact CB-CB 4.27Å; V93-K101 HydrophobicContact CB-CD 3.91Å; V93-K101 HydrophobicContact CB-CG 4.07Å; V93-K101 HydrophobicContact CG1-CB 4.23Å; V93-K101 HydrophobicContact CG1-CD 3.92Å; V93-K101 HydrophobicContact CG1-CG 3.71Å; V93-K101 HydrophobicContact CG2-CD 4.46Å; K101-N165 VanDerWaalsContact CE-OD1 3.23Å; K101-N165 WeakPolarHBondContact CE-OD1 3.43Å; K101-N165 PolarHBondContact NZ-OD1 3.26Å
102	P	97.8	Very high	96.9	Very high	14 Å²	14	62.2 Å²	62.2	9%	0.091	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-61.5	159.2	175	-21.8	33	0	0	0	112.6	N95 N165 T193 E195	N95-P102 HydrophobicContact CB-CG 3.86Å; P102-N165 VanDerWaalsContact C-ND2 3.33Å; P102-N165 PolarHBondContact O-ND2 3.47Å; P102-T193 WeakPolarHBondContact CD-OG1 3.43Å; P102-E195 HydrophobicContact CB-CG 4.27Å
103	Y	97.6	Very high	96.8	Very high	162 Å²	162	60.7 Å²	60.7	64%	0.635	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-64.6	141.1	168.7	171.6	-107.8	0	0	0	110.8	P105 S108 N165	Y103-P105 HydrophobicContact CE1-CB 3.97Å; Y103-P105 WeakPolarHBondContact O-CD 3.32Å; Y103-S108 WeakPolarHBondContact CE2-OG 3.41Å; Y103-S108 VanDerWaalsContact OH-CB 3.27Å; Y103-S108 WeakPolarHBondContact OH-CB 3.34Å; Y103-S108 PolarHBondContact OH-OG 3.11Å; Y103-N165 PolarHBondContact O-ND2 3.16Å; Y103-N165 VanDerWaalsContact O-ND2 3.16Å
104	S	97.6	Very high	96.7	Very high	7 Å²	7	63.4 Å²	63.4	5%	0.049	36%	0.358	C	S	.	.			trans	-107.3	103.4	176.1	-177.6	0	0	0	0	110.6	Y106 D107 S108 N165	S104-Y106 PolarHBondContact O-N 3.44Å; S104-D107 WeakPolarHBondContact CB-OD2 3.47Å; S104-D107 PolarHBondContact O-N 3.23Å; S104-D107 VanDerWaalsContact OG-CG 3.3Å; S104-D107 PolarHBondContact OG-N 2.7Å; S104-D107 PolarHBondContact OG-OD2 3.26Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 2.9Å; S104-N165 VanDerWaalsContact CB-O 3.27Å; S104-N165 WeakPolarHBondContact CB-O 3.27Å; S104-N165 PolarHBondContact OG-O 2.89Å
105	P	96.6	Very high	96.6	Very high	51 Å²	51	62.8 Å²	62.8	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-30.9	175.5	25.9	-33.3	0	0	0	112	Y103 Q109 A196	Y103-P105 HydrophobicContact CE1-CB 3.97Å; Y103-P105 WeakPolarHBondContact O-CD 3.32Å; P105-Q109 WeakPolarHBondContact O-CB 3.29Å; P105-Q109 PolarHBondContact O-N 3.28Å; P105-A196 HydrophobicContact CG-CB 3.65Å
106	Y	95.9	Very high	96.6	Very high	48 Å²	48	65.8 Å²	65.8	19%	0.188	37%	0.366	C	S	.	.	H	α-helix	trans	-68.5	-44.4	179.6	-64.8	-74.2	0	0	0	112.4	S104 S108 Q109 Y110 I166 A196 Y202	S104-Y106 PolarHBondContact O-N 3.44Å; Y106-S108 VanDerWaalsContact C-N 3.3Å; Y106-S108 PolarHBondContact O-N 3.36Å; Y106-Q109 PolarHBondContact O-N 2.98Å; Y106-Y110 WeakPolarHBondContact O-CD2 3.33Å; Y106-Y110 WeakPolarHBondContact O-CE2 3.26Å; Y106-Y110 PolarHBondContact O-N 3.47Å; Y106-I166 HydrophobicContact CD2-CD1 4.02Å; Y106-I166 HydrophobicContact CD2-CG1 4.03Å; Y106-I166 HydrophobicContact CG-CD1 4.07Å; Y106-I166 HydrophobicContact CG-CG1 4.25Å; Y106-A196 HydrophobicContact CE2-CB 4.23Å; Y106-Y202 HydrophobicContact CE2-CE1 4.3Å; Y106-Y202 PolarHBondContact OH-OH 2.96Å
107	D	94.9	Very high	96.5	Very high	22 Å²	22	64.3 Å²	64.3	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-45	178	-69.4	-26.1	0	0	0	109.8	S104 Q109 Y110 H111 F167	S104-D107 WeakPolarHBondContact CB-OD2 3.47Å; S104-D107 PolarHBondContact O-N 3.23Å; S104-D107 VanDerWaalsContact OG-CG 3.3Å; S104-D107 PolarHBondContact OG-N 2.7Å; S104-D107 PolarHBondContact OG-OD2 3.26Å; D107-Q109 PolarHBondContact O-N 2.95Å; D107-Y110 PolarHBondContact O-N 3.15Å; D107-H111 PolarHBondContact O-N 3.03Å; D107-H111 VanDerWaalsContact O-N 3.16Å; D107-H111 PolarHBondContact O-ND1 3.39Å; D107-F167 PolarHBondContact OD1-N 2.63Å; D107-F167 PolarHBondContact OD2-N 3.28Å
108	S	95.5	Very high	96.4	Very high	47 Å²	47	61.7 Å²	61.7	33%	0.329	35%	0.35	S	S	.	.	H	α-helix	trans	-56.8	-50	174	-59.6	0	0	0	0	112.3	Y103 S104 Y106 Y110 H111 E112	Y103-S108 WeakPolarHBondContact CE2-OG 3.41Å; Y103-S108 VanDerWaalsContact OH-CB 3.27Å; Y103-S108 WeakPolarHBondContact OH-CB 3.34Å; Y103-S108 PolarHBondContact OH-OG 3.11Å; S104-S108 PolarHBondContact O-N 2.94Å; S104-S108 PolarHBondContact O-OG 2.9Å; Y106-S108 VanDerWaalsContact C-N 3.3Å; Y106-S108 PolarHBondContact O-N 3.36Å; S108-Y110 VanDerWaalsContact C-N 3.3Å; S108-Y110 PolarHBondContact O-N 2.96Å; S108-H111 PolarHBondContact O-N 2.99Å; S108-H111 VanDerWaalsContact O-N 3.15Å; S108-E112 PolarHBondContact O-N 2.97Å
109	Q	95.5	Very high	96.5	Very high	98 Å²	98	59.5 Å²	59.5	46%	0.458	33%	0.327	S	S	.	.	H	α-helix	trans	-59.3	-38.7	178.9	-174.9	-172.7	-22	0	0	112.5	P105 Y106 D107 H111 E112	P105-Q109 WeakPolarHBondContact O-CB 3.29Å; P105-Q109 PolarHBondContact O-N 3.28Å; Y106-Q109 PolarHBondContact O-N 2.98Å; D107-Q109 PolarHBondContact O-N 2.95Å; Q109-H111 VanDerWaalsContact C-N 3.34Å; Q109-E112 WeakPolarHBondContact O-CB 3.49Å; Q109-E112 PolarHBondContact O-N 3.48Å
110	Y	93.9	Very high	96.6	Very high	22 Å²	22	61.8 Å²	61.8	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-71	-29.7	179.6	-62.7	-39	0	0	0	113	L65 Y106 D107 S108 E112 T113 A121 I166 R168	L65-Y110 HydrophobicContact CD1-CE1 4.49Å; L65-Y110 HydrophobicContact CD2-CD1 4.21Å; L65-Y110 HydrophobicContact CD2-CE1 3.69Å; L65-Y110 HydrophobicContact CG-CE1 4.49Å; Y106-Y110 WeakPolarHBondContact O-CD2 3.33Å; Y106-Y110 WeakPolarHBondContact O-CE2 3.26Å; Y106-Y110 PolarHBondContact O-N 3.47Å; D107-Y110 PolarHBondContact O-N 3.15Å; S108-Y110 VanDerWaalsContact C-N 3.3Å; S108-Y110 PolarHBondContact O-N 2.96Å; Y110-E112 VanDerWaalsContact C-N 3.26Å; Y110-E112 PolarHBondContact O-N 3.08Å; Y110-T113 PolarHBondContact O-N 3.06Å; Y110-A121 WeakPolarHBondContact CB-O 3.33Å; Y110-I166 HydrophobicContact CE2-CG2 3.93Å; Y110-R168 PolarHBondContact OH-NH2 2.91Å
111	H	94.5	Very high	96.5	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-72.8	-18.1	175.8	-74.7	81.4	0	0	0	113	D107 S108 Q109 T113 F120	D107-H111 PolarHBondContact O-N 3.03Å; D107-H111 VanDerWaalsContact O-N 3.16Å; D107-H111 PolarHBondContact O-ND1 3.39Å; S108-H111 PolarHBondContact O-N 2.99Å; S108-H111 VanDerWaalsContact O-N 3.15Å; Q109-H111 VanDerWaalsContact C-N 3.34Å; H111-T113 PolarHBondContact O-N 3.34Å; H111-F120 AromaticContact CD2-CD2 3.5Å; H111-F120 AromaticContact CD2-CE2 3.55Å; H111-F120 AromaticContact CD2-CG 3.98Å; H111-F120 AromaticContact NE2-CD2 3.89Å
112	E	96.3	Very high	96.5	Very high	153 Å²	153	52.4 Å²	52.4	72%	0.715	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.3	172.5	-63.6	171.4	-174.6	0	0	112.4	S108 Q109 Y110	S108-E112 PolarHBondContact O-N 2.97Å; Q109-E112 WeakPolarHBondContact O-CB 3.49Å; Q109-E112 PolarHBondContact O-N 3.48Å; Y110-E112 VanDerWaalsContact C-N 3.26Å; Y110-E112 PolarHBondContact O-N 3.08Å
113	T	96.4	Very high	96.6	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.27	28%	0.277	S	S	.	.			trans	-108.6	108.2	-178.2	-57	0	0	0	0	111.1	Y110 H111 L115 A121	Y110-T113 PolarHBondContact O-N 3.06Å; H111-T113 PolarHBondContact O-N 3.34Å; T113-L115 HydrophobicContact CG2-CD2 4.25Å; T113-A121 HydrophobicContact CG2-CB 3.96Å; T113-A121 PolarHBondContact O-N 3.24Å
114	T	97.2	Very high	96.6	Very high	85 Å²	85	45.1 Å²	45.1	52%	0.521	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-94.9	124.8	168.9	-58	0	0	0	0	109.7
115	L	96.9	Very high	96.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-82.6	160.5	179.3	-56.9	172.9	0	0	0	110.8	P64 P67 W76 T113 G117 G118 M119	P64-L115 HydrophobicContact CG-CD1 3.76Å; P64-L115 HydrophobicContact CG-CD2 4.22Å; P67-L115 HydrophobicContact CB-CD2 4.26Å; P67-L115 HydrophobicContact CG-CD2 4.38Å; W76-L115 HydrophobicContact CB-CB 4.16Å; W76-L115 HydrophobicContact CB-CD1 4.16Å; W76-L115 HydrophobicContact CD2-CD1 4.32Å; W76-L115 HydrophobicContact CG-CB 4.32Å; W76-L115 HydrophobicContact CG-CD1 3.82Å; T113-L115 HydrophobicContact CG2-CD2 4.25Å; L115-G117 PolarHBondContact O-N 3.39Å; L115-G118 PolarHBondContact O-N 2.89Å; L115-M119 WeakPolarHBondContact CB-O 3.44Å; L115-M119 PolarHBondContact N-O 3.05Å
116	K	96.7	Very high	96.8	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.4	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	131	169.1	-170.2	-172	173	-175.6	0	109.1	Q73 E75 W76	Q73-K116 HydrophobicContact CB-CB 4.39Å; Q73-K116 HydrophobicContact CB-CD 3.97Å; Q73-K116 VanDerWaalsContact O-CD 3.24Å; Q73-K116 WeakPolarHBondContact O-CD 3.49Å; Q73-K116 PolarHBondContact O-NZ 3.07Å; E75-K116 HydrophobicContact CG-CD 3.95Å; E75-K116 HydrophobicContact CG-CG 4.09Å; E75-K116 WeakPolarHBondContact OE1-CE 3.37Å; W76-K116 PolarHBondContact N-O 3.06Å
117	G	95.9	Very high	96.9	Very high	40 Å²	40	47.6 Å²	47.6	41%	0.412	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-12.5	-173.7	0	0	0	0	0	114.8	W76 P78 L115	W76-G117 CarbonylContact O-C 3.31Å; W76-G117 VanDerWaalsContact O-C 3.24Å; P78-G117 WeakPolarHBondContact CD-O 3.39Å; L115-G117 PolarHBondContact O-N 3.39Å
118	G	96.3	Very high	97.1	Very high	42 Å²	42	46.6 Å²	46.6	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	99.8	-0.6	168.6	0	0	0	0	0	116	L115	L115-G118 PolarHBondContact O-N 2.89Å
119	M	97.6	Very high	97.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-83.2	142.2	176.9	-173.1	178.4	158.6	0	0	111.7	S63 W76 L80 L81 L115 Q123 T125	S63-M119 VanDerWaalsContact CB-CE 3.41Å; S63-M119 WeakPolarHBondContact OG-CE 3.33Å; W76-M119 HydrophobicContact CB-CB 3.88Å; W76-M119 HydrophobicContact CB-SD 4.15Å; W76-M119 HydrophobicContact CE3-CE 4.48Å; W76-M119 HydrophobicContact CE3-SD 4.16Å; W76-M119 WeakPolarHBondContact O-CB 3.35Å; W76-M119 PolarHBondContact O-N 3.46Å; L80-M119 HydrophobicContact CB-SD 4.26Å; L80-M119 HydrophobicContact CD1-SD 4.47Å; L81-M119 HydrophobicContact CD1-CG 4.28Å; L81-M119 HydrophobicContact CD2-CE 3.71Å; L81-M119 HydrophobicContact CD2-CG 4.43Å; L81-M119 HydrophobicContact CD2-SD 4.34Å; L81-M119 HydrophobicContact CG-CE 4.42Å; L81-M119 HydrophobicContact CG-CG 4.38Å; L81-M119 HydrophobicContact CG-SD 4.44Å; L115-M119 WeakPolarHBondContact CB-O 3.44Å; L115-M119 PolarHBondContact N-O 3.05Å; M119-Q123 HydrophobicContact CE-CB 3.75Å; M119-T125 HydrophobicContact CE-CG2 3.63Å
120	F	98.2	Very high	97.4	Very high	75 Å²	75	43.4 Å²	43.4	33%	0.329	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-69.2	157	173.6	-63.9	-57.4	0	0	0	112.5	S63 H111 Q123	S63-F120 PolarHBondContact OG-O 3.18Å; H111-F120 AromaticContact CD2-CD2 3.5Å; H111-F120 AromaticContact CD2-CE2 3.55Å; H111-F120 AromaticContact CD2-CG 3.98Å; H111-F120 AromaticContact NE2-CD2 3.89Å; F120-Q123 HydrophobicContact CB-CG 3.79Å; F120-Q123 WeakPolarHBondContact O-CG 3.37Å
121	A	97.9	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	152.5	174.3	0	0	0	0	0	112.3	P64 L65 Y110 T113 Q123	P64-A121 WeakPolarHBondContact O-CA 3.41Å; P64-A121 WeakPolarHBondContact O-CB 3.5Å; L65-A121 WeakPolarHBondContact O-CB 3.41Å; Y110-A121 WeakPolarHBondContact CB-O 3.33Å; T113-A121 HydrophobicContact CG2-CB 3.96Å; T113-A121 PolarHBondContact O-N 3.24Å; A121-Q123 PolarHBondContact O-N 2.92Å; A121-Q123 PolarHBondContact O-NE2 3.03Å; A121-Q123 VanDerWaalsContact O-NE2 3.13Å
122	G	97.9	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	14.3	170.4	0	0	0	0	0	117.1	S63 P64 R168	S63-G122 PolarHBondContact OG-N 3.17Å; P64-G122 PolarHBondContact O-N 2.91Å; G122-R168 WeakPolarHBondContact O-CD 3.48Å; G122-R168 PolarHBondContact O-NH1 2.89Å
123	Q	98.5	Very high	98	Very high	17 Å²	17	36.5 Å²	36.5	8%	0.079	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-82.8	138.2	-178.5	-57.4	-57.6	-52	0	0	111.5	R62 S63 L81 M119 F120 A121	R62-Q123 CarbonylContact C-O 3.24Å; R62-Q123 WeakPolarHBondContact CA-O 3.42Å; R62-Q123 WeakPolarHBondContact CB-O 3.29Å; S63-Q123 PolarHBondContact N-O 3.04Å; S63-Q123 PolarHBondContact OG-N 3.2Å; L81-Q123 HydrophobicContact CD2-CB 3.79Å; M119-Q123 HydrophobicContact CE-CB 3.75Å; F120-Q123 HydrophobicContact CB-CG 3.79Å; F120-Q123 WeakPolarHBondContact O-CG 3.37Å; A121-Q123 PolarHBondContact O-N 2.92Å; A121-Q123 PolarHBondContact O-NE2 3.03Å; A121-Q123 VanDerWaalsContact O-NE2 3.13Å
124	L	98.8	Very high	98.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-67.2	133.9	174.3	-170.6	71.5	0	0	0	109.8	L81 M129 R168 E171 S172	L81-L124 WeakPolarHBondContact CD2-O 3.48Å; L124-M129 HydrophobicContact CD2-CG 3.78Å; L124-M129 HydrophobicContact CG-CG 4.18Å; L124-R168 HydrophobicContact CB-CB 3.93Å; L124-E171 HydrophobicContact CD2-CB 3.62Å; L124-S172 WeakPolarHBondContact CD1-OG 3.48Å
125	T	98.8	Very high	98.2	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.043	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-99.3	165.8	178.9	62.7	0	0	0	0	111.4	A61 W76 L80 M119 V127 G128 M129	A61-T125 PolarHBondContact O-N 3.47Å; A61-T125 PolarHBondContact O-OG1 2.65Å; W76-T125 HydrophobicContact CZ3-CG2 4.49Å; L80-T125 HydrophobicContact CB-CG2 4.13Å; L80-T125 CarbonylContact O-C 3.05Å; L80-T125 VanDerWaalsContact O-CA 3.29Å; L80-T125 WeakPolarHBondContact O-CA 3.28Å; M119-T125 HydrophobicContact CE-CG2 3.63Å; T125-V127 PolarHBondContact O-N 3.39Å; T125-G128 CarbonylContact O-C 3.48Å; T125-G128 WeakPolarHBondContact O-CA 3.32Å; T125-G128 PolarHBondContact O-N 2.91Å; T125-G128 PolarHBondContact OG1-N 2.92Å; T125-M129 WeakPolarHBondContact O-CG 3.45Å; T125-M129 PolarHBondContact O-N 3.13Å
126	K	98.8	Very high	98.3	Very high	71 Å²	71	33.7 Å²	33.7	31%	0.309	19%	0.191	S	C	.	.	H	α-helix	trans	-55.5	-31.5	171.9	67.9	-173.7	174.4	-165.2	0	113.8	Q79 L80 E82 P84 M129 Q130	Q79-K126 PolarHBondContact O-NZ 3.39Å; Q79-K126 VanDerWaalsContact O-NZ 3.13Å; L80-K126 PolarHBondContact O-N 2.7Å; E82-K126 VanDerWaalsContact O-CB 3.31Å; E82-K126 WeakPolarHBondContact O-CB 3.25Å; E82-K126 IonicContact OE2-NZ 3.45Å; E82-K126 PolarHBondContact OE2-NZ 2.88Å; E82-K126 VanDerWaalsContact OE2-NZ 3.15Å; P84-K126 HydrophobicContact CG-CB 4.18Å; K126-M129 PolarHBondContact O-N 2.86Å; K126-Q130 PolarHBondContact O-N 2.97Å
127	V	98.8	Very high	98.4	Very high	80 Å²	80	33.3 Å²	33.3	49%	0.485	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-47	171.1	179.4	0	0	0	0	110.2	A61 T125 Q130 Q131	A61-V127 HydrophobicContact CB-CB 4.38Å; A61-V127 HydrophobicContact CB-CG1 4.1Å; T125-V127 PolarHBondContact O-N 3.39Å; V127-Q130 PolarHBondContact O-N 3.41Å; V127-Q131 WeakPolarHBondContact O-CG 3.28Å; V127-Q131 PolarHBondContact O-N 3.42Å
128	G	98.9	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-40.3	176	0	0	0	0	0	113.2	A61 T125 Q130 Q131 M132	A61-G128 WeakPolarHBondContact O-CA 3.25Å; T125-G128 CarbonylContact O-C 3.48Å; T125-G128 WeakPolarHBondContact O-CA 3.32Å; T125-G128 PolarHBondContact O-N 2.91Å; T125-G128 PolarHBondContact OG1-N 2.92Å; G128-Q130 VanDerWaalsContact C-N 3.34Å; G128-Q130 PolarHBondContact O-N 2.62Å; G128-Q131 WeakPolarHBondContact O-CB 3.29Å; G128-Q131 PolarHBondContact O-N 3.42Å; G128-M132 WeakPolarHBondContact O-CG 3.33Å; G128-M132 PolarHBondContact O-N 2.84Å; G128-M132 VanDerWaalsContact O-N 3.08Å
129	M	98.9	Very high	98.7	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-45.4	175.1	-64.9	178.8	-169.5	0	0	111.2	V83 P84 T87 L124 T125 K126 Q131 M132 F133 C175	V83-M129 HydrophobicContact CB-SD 4.38Å; V83-M129 HydrophobicContact CG1-SD 4.27Å; V83-M129 HydrophobicContact CG2-CE 4.18Å; V83-M129 HydrophobicContact CG2-SD 4.25Å; P84-M129 VanDerWaalsContact CD-SD 3.52Å; P84-M129 HydrophobicContact CG-CB 4.31Å; T87-M129 HydrophobicContact CG2-CB 4.49Å; L124-M129 HydrophobicContact CD2-CG 3.78Å; L124-M129 HydrophobicContact CG-CG 4.18Å; T125-M129 WeakPolarHBondContact O-CG 3.45Å; T125-M129 PolarHBondContact O-N 3.13Å; K126-M129 PolarHBondContact O-N 2.86Å; M129-Q131 PolarHBondContact O-N 2.89Å; M129-M132 PolarHBondContact O-N 3.11Å; M129-F133 WeakPolarHBondContact O-CB 3.43Å; M129-F133 PolarHBondContact O-N 2.89Å; M129-C175 VanDerWaalsContact CB-SG 3.55Å; M129-C175 WeakPolarHBondContact O-CB 2.96Å
130	Q	98.9	Very high	98.7	Very high	71 Å²	71	39.2 Å²	39.2	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-66.3	-37	177.9	-168.5	61.8	36.8	0	0	112.8	K126 V127 G128 M132 F133 A134	K126-Q130 PolarHBondContact O-N 2.97Å; V127-Q130 PolarHBondContact O-N 3.41Å; G128-Q130 VanDerWaalsContact C-N 3.34Å; G128-Q130 PolarHBondContact O-N 2.62Å; Q130-M132 VanDerWaalsContact C-N 3.31Å; Q130-M132 PolarHBondContact O-N 3.39Å; Q130-F133 PolarHBondContact O-N 2.89Å; Q130-A134 WeakPolarHBondContact O-CB 3.44Å; Q130-A134 PolarHBondContact O-N 3.45Å
131	Q	98.9	Very high	98.8	Very high	99 Å²	99	39.9 Å²	39.9	46%	0.463	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-43.7	173.9	-72.8	169	-17.6	0	0	111.6	V127 G128 M129 A134 L135	V127-Q131 WeakPolarHBondContact O-CG 3.28Å; V127-Q131 PolarHBondContact O-N 3.42Å; G128-Q131 WeakPolarHBondContact O-CB 3.29Å; G128-Q131 PolarHBondContact O-N 3.42Å; M129-Q131 PolarHBondContact O-N 2.89Å; Q131-A134 PolarHBondContact O-N 2.86Å; Q131-L135 PolarHBondContact O-N 2.91Å
132	M	98.9	Very high	98.8	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-70.7	-38.1	179.5	-65.1	-52.2	-51.9	0	0	111.9	F57 G128 M129 Q130 L135 G136 C175 L176	F57-M132 HydrophobicContact CD2-CE 3.28Å; F57-M132 HydrophobicContact CD2-SD 4.49Å; F57-M132 HydrophobicContact CE2-CE 3.55Å; F57-M132 HydrophobicContact CG-CE 4.07Å; G128-M132 WeakPolarHBondContact O-CG 3.33Å; G128-M132 PolarHBondContact O-N 2.84Å; G128-M132 VanDerWaalsContact O-N 3.08Å; M129-M132 PolarHBondContact O-N 3.11Å; Q130-M132 VanDerWaalsContact C-N 3.31Å; Q130-M132 PolarHBondContact O-N 3.39Å; M132-L135 HydrophobicContact CE-CD2 3.81Å; M132-L135 WeakPolarHBondContact O-CB 3.48Å; M132-L135 PolarHBondContact O-N 3.48Å; M132-G136 PolarHBondContact O-N 3.19Å; M132-C175 HydrophobicContact CB-CB 3.61Å; M132-L176 HydrophobicContact CE-CB 4.04Å; M132-L176 HydrophobicContact CE-CD1 3.9Å; M132-L176 VanDerWaalsContact O-CA 3.32Å; M132-L176 WeakPolarHBondContact O-CA 3.38Å
133	F	98.9	Very high	98.8	Very high	12 Å²	12	45.4 Å²	45.4	5%	0.053	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-49.1	171.8	-174.7	-93.5	0	0	0	111.9	Q86 T87 M129 Q130 L135 G136 E137 C175 A178 G179	Q86-F133 HydrophobicContact CB-CE2 4.22Å; Q86-F133 HydrophobicContact CB-CZ 4.17Å; Q86-F133 HydrophobicContact CG-CD1 4.49Å; Q86-F133 HydrophobicContact CG-CD2 4.38Å; Q86-F133 HydrophobicContact CG-CE1 4.25Å; Q86-F133 HydrophobicContact CG-CE2 4.15Å; Q86-F133 HydrophobicContact CG-CZ 4.08Å; Q86-F133 WeakPolarHBondContact O-CE2 3.49Å; T87-F133 HydrophobicContact CG2-CB 4.02Å; T87-F133 HydrophobicContact CG2-CD2 3.97Å; T87-F133 HydrophobicContact CG2-CG 4.22Å; M129-F133 WeakPolarHBondContact O-CB 3.43Å; M129-F133 PolarHBondContact O-N 2.89Å; Q130-F133 PolarHBondContact O-N 2.89Å; F133-L135 VanDerWaalsContact C-N 3.29Å; F133-L135 PolarHBondContact O-N 3.41Å; F133-G136 CarbonylContact O-C 3.46Å; F133-G136 VanDerWaalsContact O-CA 3.3Å; F133-G136 WeakPolarHBondContact O-CA 3.24Å; F133-G136 PolarHBondContact O-N 2.95Å; F133-E137 HydrophobicContact CD1-CG 4.07Å; F133-E137 HydrophobicContact CE1-CG 3.74Å; F133-E137 WeakPolarHBondContact CE1-OE1 3.2Å; F133-E137 HydrophobicContact CZ-CG 4.27Å; F133-E137 PolarHBondContact O-N 3.22Å; F133-C175 WeakPolarHBondContact CA-O 3.29Å; F133-A178 HydrophobicContact CD2-CB 4.06Å; F133-A178 HydrophobicContact CE2-CB 4.23Å; F133-G179 VanDerWaalsContact CE2-CA 3.42Å
134	A	98.9	Very high	98.8	Very high	47 Å²	47	45.5 Å²	45.5	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-35.4	177.2	0	0	0	0	0	112.6	Q130 Q131 G136 E137 R138	Q130-A134 WeakPolarHBondContact O-CB 3.44Å; Q130-A134 PolarHBondContact O-N 3.45Å; Q131-A134 PolarHBondContact O-N 2.86Å; A134-G136 VanDerWaalsContact C-N 3.33Å; A134-E137 PolarHBondContact O-N 2.75Å; A134-R138 PolarHBondContact O-N 3.28Å
135	L	98.9	Very high	98.8	Very high	31 Å²	31	50.6 Å²	50.6	16%	0.162	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-43.1	170.1	173.5	59.1	0	0	0	111.2	F57 Q131 M132 F133 R138 L139 L176	F57-L135 HydrophobicContact CB-CD2 4.08Å; F57-L135 HydrophobicContact CG-CD2 4.48Å; Q131-L135 PolarHBondContact O-N 2.91Å; M132-L135 HydrophobicContact CE-CD2 3.81Å; M132-L135 WeakPolarHBondContact O-CB 3.48Å; M132-L135 PolarHBondContact O-N 3.48Å; F133-L135 VanDerWaalsContact C-N 3.29Å; F133-L135 PolarHBondContact O-N 3.41Å; L135-R138 PolarHBondContact O-N 2.87Å; L135-L139 HydrophobicContact CD1-CG 4.48Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 2.96Å; L135-L176 HydrophobicContact CD2-CD1 3.74Å; L135-L176 HydrophobicContact CG-CD1 3.98Å; L135-L176 HydrophobicContact CG-CG 4.5Å
136	G	98.9	Very high	98.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-48.8	172.8	0	0	0	0	0	112.9	M132 F133 A134 R138 L139 R140 L176 G179 L180	M132-G136 PolarHBondContact O-N 3.19Å; F133-G136 CarbonylContact O-C 3.46Å; F133-G136 VanDerWaalsContact O-CA 3.3Å; F133-G136 WeakPolarHBondContact O-CA 3.24Å; F133-G136 PolarHBondContact O-N 2.95Å; A134-G136 VanDerWaalsContact C-N 3.33Å; G136-R138 VanDerWaalsContact C-N 3.3Å; G136-R138 PolarHBondContact O-N 3.28Å; G136-L139 WeakPolarHBondContact O-CB 3.33Å; G136-L139 PolarHBondContact O-N 3.05Å; G136-L139 VanDerWaalsContact O-N 3.07Å; G136-R140 PolarHBondContact O-N 3.1Å; G136-L176 VanDerWaalsContact CA-O 3.27Å; G136-L176 WeakPolarHBondContact CA-O 3.4Å; G136-G179 VanDerWaalsContact C-C 3.49Å; G136-L180 WeakPolarHBondContact O-CA 3.38Å
137	E	98.9	Very high	98.7	Very high	84 Å²	84	54.7 Å²	54.7	39%	0.393	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-39.1	177.3	-67.8	-172.8	121.7	0	0	112.2	F133 A134 L139 R140 K141	F133-E137 HydrophobicContact CD1-CG 4.07Å; F133-E137 HydrophobicContact CE1-CG 3.74Å; F133-E137 WeakPolarHBondContact CE1-OE1 3.2Å; F133-E137 HydrophobicContact CZ-CG 4.27Å; F133-E137 PolarHBondContact O-N 3.22Å; A134-E137 PolarHBondContact O-N 2.75Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 2.79Å; E137-R140 WeakPolarHBondContact O-CB 3.09Å; E137-R140 PolarHBondContact O-N 2.96Å; E137-K141 PolarHBondContact O-N 3.14Å
138	R	98.9	Very high	98.7	Very high	153 Å²	153	56.8 Å²	56.8	58%	0.577	28%	0.281	S	S	*	.	H	α-helix	trans	-63.2	-40.1	174.2	-170.7	-176.2	69.6	-176.7	4.3	112	A134 L135 G136 R140 K141 N142	A134-R138 PolarHBondContact O-N 3.28Å; L135-R138 PolarHBondContact O-N 2.87Å; G136-R138 VanDerWaalsContact C-N 3.3Å; G136-R138 PolarHBondContact O-N 3.28Å; R138-R140 VanDerWaalsContact C-N 3.32Å; R138-K141 PolarHBondContact O-N 2.89Å; R138-N142 VanDerWaalsContact O-CG 3.24Å; R138-N142 PolarHBondContact O-N 2.92Å; R138-N142 VanDerWaalsContact O-N 3.17Å; R138-N142 PolarHBondContact O-ND2 2.95Å
139	L	98.9	Very high	98.6	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-37	175.6	-66.3	172.5	0	0	0	111.2	V55 L135 G136 E137 N142 Y143 L176 L180	V55-L139 HydrophobicContact CG1-CD1 4.48Å; V55-L139 HydrophobicContact CG2-CD1 4.41Å; V55-L139 HydrophobicContact CG2-CD2 4.06Å; L135-L139 HydrophobicContact CD1-CG 4.48Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 2.96Å; G136-L139 WeakPolarHBondContact O-CB 3.33Å; G136-L139 PolarHBondContact O-N 3.05Å; G136-L139 VanDerWaalsContact O-N 3.07Å; E137-L139 VanDerWaalsContact C-N 3.33Å; E137-L139 PolarHBondContact O-N 2.79Å; L139-N142 PolarHBondContact O-N 3.03Å; L139-Y143 HydrophobicContact CB-CD2 4.3Å; L139-Y143 HydrophobicContact CD2-CD2 4.07Å; L139-Y143 HydrophobicContact CD2-CE2 3.6Å; L139-Y143 WeakPolarHBondContact O-CB 3.14Å; L139-Y143 WeakPolarHBondContact O-CD2 3.12Å; L139-Y143 PolarHBondContact O-N 3.19Å; L139-L176 HydrophobicContact CD1-CD1 4.13Å; L139-L176 HydrophobicContact CD1-CD2 3.88Å; L139-L176 HydrophobicContact CD1-CG 4.19Å; L139-L180 HydrophobicContact CB-CD1 3.82Å
140	R	98.8	Very high	98.6	Very high	41 Å²	41	61 Å²	61	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-50.4	174.2	-174	-179.1	-177.3	79.9	0.4	111.2	G136 E137 R138 N142 Y143 V144 E145 P152 L180	G136-R140 PolarHBondContact O-N 3.1Å; E137-R140 WeakPolarHBondContact O-CB 3.09Å; E137-R140 PolarHBondContact O-N 2.96Å; R138-R140 VanDerWaalsContact C-N 3.32Å; R140-N142 PolarHBondContact O-N 3.41Å; R140-Y143 PolarHBondContact O-N 3.31Å; R140-V144 HydrophobicContact CG-CB 3.96Å; R140-V144 HydrophobicContact CG-CG1 4.43Å; R140-V144 HydrophobicContact CG-CG2 4.15Å; R140-V144 WeakPolarHBondContact O-CA 3.42Å; R140-V144 VanDerWaalsContact O-CB 3.29Å; R140-V144 WeakPolarHBondContact O-CB 3.48Å; R140-V144 PolarHBondContact O-N 3.13Å; R140-E145 HydrophobicContact CG-CG 4.43Å; R140-E145 IonicContact NE-OE1 3.88Å; R140-E145 PolarHBondContact NE-OE1 3.06Å; R140-E145 PolarHBondContact O-N 3.24Å; R140-E145 VanDerWaalsContact O-N 3.09Å; R140-P152 PolarHBondContact NH1-O 2.82Å; R140-L180 HydrophobicContact CB-CD1 4.04Å; R140-L180 WeakPolarHBondContact CB-O 3.39Å; R140-L180 WeakPolarHBondContact CD-O 3.28Å; R140-L180 WeakPolarHBondContact CG-O 3.39Å; R140-L180 PolarHBondContact NH1-O 3.48Å
141	K	98.8	Very high	98.6	Very high	89 Å²	89	59.1 Å²	59.1	39%	0.387	30%	0.295	S	S	.	.	I	π-helix	trans	-52	-47.3	176.5	-177.6	59.9	168.5	70.1	0	111.2	E137 R138 E145 D146	E137-K141 PolarHBondContact O-N 3.14Å; R138-K141 PolarHBondContact O-N 2.89Å; K141-E145 HydrophobicContact CD-CB 4.36Å; K141-E145 WeakPolarHBondContact CD-OE2 3.47Å; K141-D146 IonicContact NZ-OD1 2.56Å; K141-D146 PolarHBondContact NZ-OD1 3.2Å; K141-D146 IonicContact NZ-OD2 2.73Å; K141-D146 PolarHBondContact NZ-OD2 2.93Å; K141-D146 VanDerWaalsContact O-CB 3.29Å; K141-D146 WeakPolarHBondContact O-CB 3.32Å; K141-D146 VanDerWaalsContact O-CG 3.25Å; K141-D146 PolarHBondContact O-N 3.41Å
142	N	98.7	Very high	98.6	Very high	62 Å²	62	57.8 Å²	57.8	33%	0.332	30%	0.295	S	S	.	.	I	π-helix	trans	-74.3	-37.8	-175.9	-66.5	-12.1	0	0	0	114.4	R138 L139 R140 I147	R138-N142 VanDerWaalsContact O-CG 3.24Å; R138-N142 PolarHBondContact O-N 2.92Å; R138-N142 VanDerWaalsContact O-N 3.17Å; R138-N142 PolarHBondContact O-ND2 2.95Å; L139-N142 PolarHBondContact O-N 3.03Å; R140-N142 PolarHBondContact O-N 3.41Å; N142-I147 WeakPolarHBondContact O-CG1 3.42Å
143	Y	98.8	Very high	98.6	Very high	56 Å²	56	59.1 Å²	59.1	22%	0.22	30%	0.304	C	S	.	.	I	π-helix	trans	-120.2	-2.9	-164.9	-55.3	-52.3	0	0	0	114.9	L50 V53 L139 R140 I147 F149 L150	L50-Y143 HydrophobicContact CD2-CD1 3.82Å; L50-Y143 HydrophobicContact CD2-CE1 3.95Å; V53-Y143 HydrophobicContact CG1-CD2 4.38Å; V53-Y143 HydrophobicContact CG1-CE1 4.46Å; V53-Y143 HydrophobicContact CG1-CE2 3.7Å; V53-Y143 HydrophobicContact CG2-CD1 3.98Å; V53-Y143 HydrophobicContact CG2-CE1 3.7Å; V53-Y143 HydrophobicContact CG2-CE2 4.27Å; V53-Y143 HydrophobicContact CG2-CG 4.4Å; L139-Y143 HydrophobicContact CB-CD2 4.3Å; L139-Y143 HydrophobicContact CD2-CD2 4.07Å; L139-Y143 HydrophobicContact CD2-CE2 3.6Å; L139-Y143 WeakPolarHBondContact O-CB 3.14Å; L139-Y143 WeakPolarHBondContact O-CD2 3.12Å; L139-Y143 PolarHBondContact O-N 3.19Å; R140-Y143 PolarHBondContact O-N 3.31Å; Y143-I147 CarbonylContact C-O 3.46Å; Y143-I147 HydrophobicContact CD1-CD1 4.31Å; Y143-F149 WeakPolarHBondContact O-CB 3.41Å; Y143-F149 PolarHBondContact O-N 3.19Å; Y143-F149 VanDerWaalsContact O-N 3.14Å; Y143-L150 PolarHBondContact O-N 3.1Å
144	V	98.6	Very high	98.6	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.115	30%	0.302	C	S	.	.	I	π-helix	trans	-118.5	-47.2	173.6	179.7	0	0	0	0	109.9	R140 I147 L150 P152 L180	R140-V144 HydrophobicContact CG-CB 3.96Å; R140-V144 HydrophobicContact CG-CG1 4.43Å; R140-V144 HydrophobicContact CG-CG2 4.15Å; R140-V144 WeakPolarHBondContact O-CA 3.42Å; R140-V144 VanDerWaalsContact O-CB 3.29Å; R140-V144 WeakPolarHBondContact O-CB 3.48Å; R140-V144 PolarHBondContact O-N 3.13Å; V144-I147 CarbonylContact C-O 3.55Å; V144-I147 PolarHBondContact N-O 2.92Å; V144-L150 HydrophobicContact CG2-CB 4.05Å; V144-P152 HydrophobicContact CG1-CB 3.93Å; V144-L180 HydrophobicContact CG2-CD1 4.41Å
145	E	98.5	Very high	98.6	Very high	112 Å²	112	57.8 Å²	57.8	52%	0.523	29%	0.291	S	S	.	.	I	π-helix	trans	-89.3	-55	-171.1	-62	170.5	-169	0	0	113	R140 K141	R140-E145 HydrophobicContact CG-CG 4.43Å; R140-E145 IonicContact NE-OE1 3.88Å; R140-E145 PolarHBondContact NE-OE1 3.06Å; R140-E145 PolarHBondContact O-N 3.24Å; R140-E145 VanDerWaalsContact O-N 3.09Å; K141-E145 HydrophobicContact CD-CB 4.36Å; K141-E145 WeakPolarHBondContact CD-OE2 3.47Å
146	D	98.3	Very high	98.5	Very high	93 Å²	93	59 Å²	59	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-70.5	-37.9	-177.7	-75.1	-23.1	0	0	0	112.6	K141	K141-D146 IonicContact NZ-OD1 2.56Å; K141-D146 PolarHBondContact NZ-OD1 3.2Å; K141-D146 IonicContact NZ-OD2 2.73Å; K141-D146 PolarHBondContact NZ-OD2 2.93Å; K141-D146 VanDerWaalsContact O-CB 3.29Å; K141-D146 WeakPolarHBondContact O-CB 3.32Å; K141-D146 VanDerWaalsContact O-CG 3.25Å; K141-D146 PolarHBondContact O-N 3.41Å
147	I	96.8	Very high	98.5	Very high	72 Å²	72	67.8 Å²	67.8	37%	0.369	34%	0.342	S	S	.	.	S	Bend	trans	-134.1	131	169.8	50.4	167.7	0	0	0	108.2	L50 N142 Y143 V144 F149	L50-I147 HydrophobicContact CB-CD1 4.19Å; L50-I147 HydrophobicContact CD2-CD1 3.4Å; L50-I147 HydrophobicContact CG-CD1 4.44Å; N142-I147 WeakPolarHBondContact O-CG1 3.42Å; Y143-I147 CarbonylContact C-O 3.46Å; Y143-I147 HydrophobicContact CD1-CD1 4.31Å; V144-I147 CarbonylContact C-O 3.55Å; V144-I147 PolarHBondContact N-O 2.92Å; I147-F149 HydrophobicContact CD1-CB 4.21Å; I147-F149 HydrophobicContact CG1-CB 4.37Å; I147-F149 PolarHBondContact O-N 3.4Å
148	P	97.6	Very high	98.5	Very high	123 Å²	123	67.5 Å²	67.5	80%	0.799	34%	0.34	S	S	*	.			trans	-78.3	65.8	178.3	32.9	-35.8	0	0	0	110
149	F	98.6	Very high	98.5	Very high	66 Å²	66	61.7 Å²	61.7	29%	0.289	32%	0.322	S	S	.	.			trans	-86.7	-41.6	-179.5	175.5	-107.7	0	0	0	111.9	L50 V53 Y143 I147	L50-F149 HydrophobicContact CB-CD2 4.28Å; L50-F149 HydrophobicContact CD2-CB 4.14Å; L50-F149 HydrophobicContact CD2-CD1 3.88Å; L50-F149 HydrophobicContact CD2-CD2 3.99Å; L50-F149 HydrophobicContact CD2-CE1 4.35Å; L50-F149 HydrophobicContact CD2-CE2 4.43Å; L50-F149 HydrophobicContact CD2-CG 3.71Å; L50-F149 HydrophobicContact CG-CD2 3.99Å; L50-F149 HydrophobicContact CG-CE2 4.11Å; L50-F149 HydrophobicContact CG-CG 4.23Å; L50-F149 HydrophobicContact CG-CZ 4.45Å; V53-F149 HydrophobicContact CB-CE1 4.39Å; V53-F149 HydrophobicContact CG2-CD1 4.16Å; V53-F149 HydrophobicContact CG2-CE1 3.78Å; Y143-F149 WeakPolarHBondContact O-CB 3.41Å; Y143-F149 PolarHBondContact O-N 3.19Å; Y143-F149 VanDerWaalsContact O-N 3.14Å; I147-F149 HydrophobicContact CD1-CB 4.21Å; I147-F149 HydrophobicContact CG1-CB 4.37Å; I147-F149 PolarHBondContact O-N 3.4Å
150	L	98.7	Very high	98.5	Very high	31 Å²	31	68.2 Å²	68.2	16%	0.162	35%	0.35	C	S	.	.	S	Bend	trans	-107.3	152.9	174.5	-68.8	173.7	0	0	0	111	Y143 V144 E158	Y143-L150 PolarHBondContact O-N 3.1Å; V144-L150 HydrophobicContact CG2-CB 4.05Å; L150-E158 HydrophobicContact CD2-CB 4.27Å
151	S	98.6	Very high	98.5	Very high	31 Å²	31	67 Å²	67	22%	0.217	35%	0.346	C	S	.	.			trans	-60.8	145.2	167.7	-71	0	0	0	0	111.2	T153 E158	S151-T153 WeakPolarHBondContact CB-O 3.46Å; S151-T153 PolarHBondContact O-N 2.84Å; S151-E158 WeakPolarHBondContact CB-OE1 3.37Å; S151-E158 WeakPolarHBondContact CB-OE2 3.34Å; S151-E158 PolarHBondContact N-OE2 2.86Å; S151-E158 PolarHBondContact OG-OE1 2.98Å; S151-E158 PolarHBondContact OG-OE2 2.72Å
152	P	98.5	Very high	98.5	Very high	71 Å²	71	66.5 Å²	66.5	46%	0.461	34%	0.342	S	S	.	.	S	Bend	trans	-68.4	-18.1	-179.5	27.7	-34.8	0	0	0	113.5	R140 V144	R140-P152 PolarHBondContact NH1-O 2.82Å; V144-P152 HydrophobicContact CG1-CB 3.93Å
153	T	98.6	Very high	98.5	Very high	36 Å²	36	64 Å²	64	22%	0.221	33%	0.329	C	S	.	.	S	Bend	trans	-108.9	148.3	176.8	45.1	0	0	0	0	109.4	S151 N155 F181 Q184 E186	S151-T153 WeakPolarHBondContact CB-O 3.46Å; S151-T153 PolarHBondContact O-N 2.84Å; T153-N155 PolarHBondContact O-N 2.97Å; T153-N155 VanDerWaalsContact O-N 3.17Å; T153-F181 VanDerWaalsContact C-CD1 3.5Å; T153-Q184 HydrophobicContact CG2-CB 3.71Å; T153-E186 PolarHBondContact OG1-OE1 3.44Å
154	F	98.8	Very high	98.5	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.013	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-64.8	118.8	177.6	173.5	-97	0	0	0	110.9	F89 P156 V159 I161 F181 Q184 K185 E186 I189	F89-F154 HydrophobicContact CZ-CB 4.37Å; F154-P156 HydrophobicContact CD1-CG 4.43Å; F154-P156 HydrophobicContact CE1-CB 4.29Å; F154-P156 HydrophobicContact CE1-CG 3.82Å; F154-V159 HydrophobicContact CD2-CB 4.45Å; F154-V159 HydrophobicContact CD2-CG2 4.4Å; F154-V159 HydrophobicContact CE2-CB 3.82Å; F154-V159 HydrophobicContact CE2-CG1 4.12Å; F154-V159 HydrophobicContact CE2-CG2 4.25Å; F154-I161 HydrophobicContact CE2-CD1 3.8Å; F154-I161 HydrophobicContact CZ-CD1 4.02Å; F154-F181 HydrophobicContact CB-CB 4.06Å; F154-F181 HydrophobicContact CB-CD1 4.17Å; F154-F181 HydrophobicContact CB-CD2 3.8Å; F154-F181 HydrophobicContact CB-CE2 4.3Å; F154-F181 HydrophobicContact CB-CG 3.73Å; F154-F181 AromaticContact CD2-CD2 3.88Å; F154-F181 HydrophobicContact CD2-CD2 3.88Å; F154-F181 AromaticContact CD2-CE2 3.64Å; F154-F181 HydrophobicContact CD2-CE2 3.64Å; F154-F181 HydrophobicContact CD2-CZ 4.18Å; F154-F181 HydrophobicContact CG-CD2 4.33Å; F154-F181 HydrophobicContact CG-CE2 4.47Å; F154-Q184 WeakPolarHBondContact CB-O 3.38Å; F154-Q184 PolarHBondContact N-O 3.4Å; F154-K185 HydrophobicContact CB-CB 3.91Å; F154-K185 HydrophobicContact CD1-CB 4.05Å; F154-K185 HydrophobicContact CG-CB 4.44Å; F154-E186 PolarHBondContact O-N 3.1Å; F154-I189 HydrophobicContact CD1-CD1 4.43Å; F154-I189 HydrophobicContact CD1-CG1 3.56Å; F154-I189 HydrophobicContact CD2-CG1 4.39Å; F154-I189 HydrophobicContact CE1-CB 4.21Å; F154-I189 HydrophobicContact CE1-CG1 3.51Å; F154-I189 HydrophobicContact CE2-CG1 4.35Å; F154-I189 HydrophobicContact CG-CD1 4.5Å; F154-I189 HydrophobicContact CG-CG1 4.02Å; F154-I189 HydrophobicContact CZ-CB 4.41Å; F154-I189 HydrophobicContact CZ-CG1 3.93Å
155	N	98.6	Very high	98.4	Very high	27 Å²	27	61.5 Å²	61.5	14%	0.144	32%	0.32	C	S	.	.			trans	-111.7	117.2	173.2	-177.6	-14.9	0	0	0	110.3	T153 Q157 E158 V159	T153-N155 PolarHBondContact O-N 2.97Å; T153-N155 VanDerWaalsContact O-N 3.17Å; N155-Q157 PolarHBondContact O-N 2.95Å; N155-Q157 VanDerWaalsContact O-N 3.08Å; N155-Q157 WeakPolarHBondContact OD1-CB 3.47Å; N155-Q157 PolarHBondContact OD1-N 3.13Å; N155-E158 HydrophobicContact CB-CB 4.35Å; N155-E158 HydrophobicContact CB-CG 4.06Å; N155-E158 PolarHBondContact O-N 3.43Å; N155-V159 PolarHBondContact O-N 2.92Å
156	P	98.1	Very high	98.4	Very high	58 Å²	58	56.6 Å²	56.6	38%	0.377	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	179.9	-21.7	29.8	0	0	0	115.3	F154	F154-P156 HydrophobicContact CD1-CG 4.43Å; F154-P156 HydrophobicContact CE1-CB 4.29Å; F154-P156 HydrophobicContact CE1-CG 3.82Å
157	Q	98.3	Very high	98.5	Very high	183 Å²	183	56.4 Å²	56.4	86%	0.855	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.9	179	-63.6	-175.7	-18.2	0	0	113.2	N155	N155-Q157 PolarHBondContact O-N 2.95Å; N155-Q157 VanDerWaalsContact O-N 3.08Å; N155-Q157 WeakPolarHBondContact OD1-CB 3.47Å; N155-Q157 PolarHBondContact OD1-N 3.13Å
158	E	98.6	Very high	98.5	Very high	78 Å²	78	53.8 Å²	53.8	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-24.3	-179.6	-66.7	179.8	-169.3	0	0	112.6	L150 S151 N155	L150-E158 HydrophobicContact CD2-CB 4.27Å; S151-E158 WeakPolarHBondContact CB-OE1 3.37Å; S151-E158 WeakPolarHBondContact CB-OE2 3.34Å; S151-E158 PolarHBondContact N-OE2 2.86Å; S151-E158 PolarHBondContact OG-OE1 2.98Å; S151-E158 PolarHBondContact OG-OE2 2.72Å; N155-E158 HydrophobicContact CB-CB 4.35Å; N155-E158 HydrophobicContact CB-CG 4.06Å; N155-E158 PolarHBondContact O-N 3.43Å
159	V	98.8	Very high	98.6	Very high	32 Å²	32	49.2 Å²	49.2	19%	0.194	25%	0.246	C	C	.	.			trans	-127.7	115.2	-167.1	-171	0	0	0	0	111	F154 N155 I161 F181	F154-V159 HydrophobicContact CD2-CB 4.45Å; F154-V159 HydrophobicContact CD2-CG2 4.4Å; F154-V159 HydrophobicContact CE2-CB 3.82Å; F154-V159 HydrophobicContact CE2-CG1 4.12Å; F154-V159 HydrophobicContact CE2-CG2 4.25Å; N155-V159 PolarHBondContact O-N 2.92Å; V159-I161 HydrophobicContact CG1-CD1 4.33Å; V159-I161 HydrophobicContact CG1-CG1 3.78Å; V159-F181 HydrophobicContact CG2-CE2 4.37Å; V159-F181 HydrophobicContact CG2-CZ 3.79Å
160	F	98.8	Very high	98.6	Very high	150 Å²	150	46.2 Å²	46.2	66%	0.658	23%	0.233	S	C	*	.			trans	-93.4	134.2	165.3	178	-100.7	0	0	0	110.3	R162 H192	F160-R162 HydrophobicContact CE1-CB 3.81Å; F160-R162 HydrophobicContact CZ-CB 4.26Å; F160-H192 AromaticContact CE2-CD2 3.46Å; F160-H192 VanDerWaalsContact CE2-CD2 3.46Å; F160-H192 WeakPolarHBondContact CE2-CD2 3.44Å; F160-H192 AromaticContact CE2-NE2 4Å
161	I	98.9	Very high	98.6	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	23%	0.229	C	C	.	.			trans	-126.1	119.7	-175.2	-49.8	163.8	0	0	0	109.7	F154 V159 T173 L177 I189 I191 H192	F154-I161 HydrophobicContact CE2-CD1 3.8Å; F154-I161 HydrophobicContact CZ-CD1 4.02Å; V159-I161 HydrophobicContact CG1-CD1 4.33Å; V159-I161 HydrophobicContact CG1-CG1 3.78Å; I161-T173 HydrophobicContact CG2-CG2 3.5Å; I161-L177 HydrophobicContact CD1-CD1 3.7Å; I161-L177 HydrophobicContact CD1-CD2 4.14Å; I161-I189 HydrophobicContact CD1-CG2 3.83Å; I161-I191 HydrophobicContact CG2-CB 4.44Å; I161-I191 HydrophobicContact CG2-CG1 4.11Å; I161-I191 HydrophobicContact CG2-CG2 4.16Å; I161-H192 PolarHBondContact O-CD2 3.3Å; I161-H192 PolarHBondContact O-N 3.45Å
162	R	98.8	Very high	98.6	Very high	78 Å²	78	44.1 Å²	44.1	29%	0.294	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-126.1	137.8	172	-171.3	-174.1	169.6	155.4	4.3	110.2	L96 F160 H192 D194 E199 L201	L96-R162 HydrophobicContact CD2-CG 4.32Å; F160-R162 HydrophobicContact CE1-CB 3.81Å; F160-R162 HydrophobicContact CZ-CB 4.26Å; R162-H192 VanDerWaalsContact CA-O 3.32Å; R162-H192 WeakPolarHBondContact CA-O 3.45Å; R162-D194 IonicContact NH2-OD2 3.4Å; R162-D194 PolarHBondContact NH2-OD2 3.45Å; R162-E199 IonicContact CZ-OE1 2.94Å; R162-E199 IonicContact NE-OE1 3.74Å; R162-E199 IonicContact NH2-OE1 2.86Å; R162-E199 PolarHBondContact NH2-OE1 3.08Å; R162-L201 HydrophobicContact CG-CD1 3.94Å
163	S	98.8	Very high	98.7	Very high	9 Å²	9	41 Å²	41	6%	0.063	20%	0.199	C	C	.	.			trans	-136.4	157.1	172.3	174.7	0	0	0	0	109.2	N169 H192 T193	S163-N169 WeakPolarHBondContact OG-CB 3.35Å; S163-H192 PolarHBondContact N-O 3.25Å; S163-T193 WeakPolarHBondContact O-CA 3.13Å; S163-T193 WeakPolarHBondContact O-CG2 3.26Å
164	T	98.5	Very high	98.7	Very high	12 Å²	12	40 Å²	40	7%	0.074	19%	0.191	C	C	.	.			trans	-63.6	149.8	161.3	59.6	0	0	0	0	109.8	I166 N169 E199 L201 Y202	T164-I166 PolarHBondContact O-N 2.72Å; T164-N169 PolarHBondContact OG1-ND2 2.97Å; T164-E199 WeakPolarHBondContact CA-OE2 3.44Å; T164-E199 HydrophobicContact CG2-CG 4.22Å; T164-L201 HydrophobicContact CG2-CB 3.56Å; T164-L201 HydrophobicContact CG2-CD1 4.15Å; T164-Y202 HydrophobicContact CG2-CD1 3.81Å; T164-Y202 HydrophobicContact CG2-CE1 4.12Å
165	N	98.4	Very high	98.7	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.059	19%	0.19	C	C	.	.	S	Bend	trans	-75.2	64.1	177.7	-167.4	16.1	0	0	0	113.2	K101 P102 Y103 S104 T193	K101-N165 VanDerWaalsContact CE-OD1 3.23Å; K101-N165 WeakPolarHBondContact CE-OD1 3.43Å; K101-N165 PolarHBondContact NZ-OD1 3.26Å; P102-N165 VanDerWaalsContact C-ND2 3.33Å; P102-N165 PolarHBondContact O-ND2 3.47Å; Y103-N165 PolarHBondContact O-ND2 3.16Å; Y103-N165 VanDerWaalsContact O-ND2 3.16Å; S104-N165 VanDerWaalsContact CB-O 3.27Å; S104-N165 WeakPolarHBondContact CB-O 3.27Å; S104-N165 PolarHBondContact OG-O 2.89Å; N165-T193 HydrophobicContact CB-CG2 4.27Å
166	I	98.5	Very high	98.7	Very high	10 Å²	10	39 Å²	39	5%	0.051	19%	0.186	C	C	.	.			trans	-134.6	128.4	177	-51.4	178.5	0	0	0	108.2	Y106 Y110 T164 R168 N169 L170	Y106-I166 HydrophobicContact CD2-CD1 4.02Å; Y106-I166 HydrophobicContact CD2-CG1 4.03Å; Y106-I166 HydrophobicContact CG-CD1 4.07Å; Y106-I166 HydrophobicContact CG-CG1 4.25Å; Y110-I166 HydrophobicContact CE2-CG2 3.93Å; T164-I166 PolarHBondContact O-N 2.72Å; I166-R168 HydrophobicContact CG2-CG 3.89Å; I166-R168 PolarHBondContact O-N 2.83Å; I166-N169 WeakPolarHBondContact O-CB 3.44Å; I166-N169 PolarHBondContact O-N 2.78Å; I166-L170 PolarHBondContact O-N 3.03Å
167	F	98.6	Very high	98.7	Very high	88 Å²	88	36.5 Å²	36.5	39%	0.386	17%	0.169	S	C	.	.	H	α-helix	trans	-54.4	-45.1	-167.6	-171.4	-111.8	0	0	0	114	D107 N169 L170 E171	D107-F167 PolarHBondContact OD1-N 2.63Å; D107-F167 PolarHBondContact OD2-N 3.28Å; F167-N169 PolarHBondContact O-N 3.16Å; F167-N169 VanDerWaalsContact O-N 3.14Å; F167-L170 WeakPolarHBondContact O-CB 3.34Å; F167-L170 PolarHBondContact O-N 2.9Å; F167-L170 VanDerWaalsContact O-N 3.13Å; F167-E171 HydrophobicContact CD1-CG 4.02Å; F167-E171 HydrophobicContact CD2-CG 4.37Å; F167-E171 HydrophobicContact CE1-CG 3.56Å; F167-E171 HydrophobicContact CE2-CG 3.94Å; F167-E171 HydrophobicContact CG-CG 4.4Å; F167-E171 HydrophobicContact CZ-CG 3.51Å; F167-E171 PolarHBondContact O-N 2.77Å
168	R	98.6	Very high	98.8	Very high	17 Å²	17	27.8 Å²	27.8	6%	0.064	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-27.6	177	56.2	161.6	179	-75.9	-5.5	114.4	Y110 G122 L124 I166 S172	Y110-R168 PolarHBondContact OH-NH2 2.91Å; G122-R168 WeakPolarHBondContact O-CD 3.48Å; G122-R168 PolarHBondContact O-NH1 2.89Å; L124-R168 HydrophobicContact CB-CB 3.93Å; I166-R168 HydrophobicContact CG2-CG 3.89Å; I166-R168 PolarHBondContact O-N 2.83Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.49Å; R168-S172 PolarHBondContact O-N 2.65Å; R168-S172 VanDerWaalsContact O-N 3.1Å; R168-S172 PolarHBondContact O-OG 3.35Å
169	N	98.9	Very high	98.8	Very high	28 Å²	28	24.1 Å²	24.1	15%	0.15	11%	0.111	C	C	.	.	H	α-helix	trans	-82.5	-37.1	179.9	-63.8	-3.4	0	0	0	110.1	H59 S163 T164 I166 F167 S172 T173	H59-N169 VanDerWaalsContact CB-OD1 3.28Å; H59-N169 WeakPolarHBondContact CB-OD1 3.41Å; H59-N169 PolarHBondContact CD2-OD1 3.18Å; H59-N169 VanDerWaalsContact CD2-OD1 3.22Å; S163-N169 WeakPolarHBondContact OG-CB 3.35Å; T164-N169 PolarHBondContact OG1-ND2 2.97Å; I166-N169 WeakPolarHBondContact O-CB 3.44Å; I166-N169 PolarHBondContact O-N 2.78Å; F167-N169 PolarHBondContact O-N 3.16Å; F167-N169 VanDerWaalsContact O-N 3.14Å; N169-S172 PolarHBondContact O-N 3.02Å; N169-T173 PolarHBondContact O-N 2.88Å; N169-T173 PolarHBondContact O-OG1 3.48Å
170	L	98.9	Very high	98.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-48.9	171.2	-56.8	175.4	0	0	0	111.1	Y91 V93 I166 F167 S172 T173 R174 I191 T193	Y91-L170 HydrophobicContact CE2-CB 4.23Å; V93-L170 HydrophobicContact CG1-CD2 4.39Å; V93-L170 HydrophobicContact CG2-CD1 4.11Å; V93-L170 HydrophobicContact CG2-CD2 4.31Å; I166-L170 PolarHBondContact O-N 3.03Å; F167-L170 WeakPolarHBondContact O-CB 3.34Å; F167-L170 PolarHBondContact O-N 2.9Å; F167-L170 VanDerWaalsContact O-N 3.13Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.17Å; L170-T173 WeakPolarHBondContact O-CB 3.42Å; L170-T173 PolarHBondContact O-N 3.45Å; L170-T173 VanDerWaalsContact O-N 3.13Å; L170-R174 PolarHBondContact O-N 3.24Å; L170-I191 HydrophobicContact CD2-CG2 3.8Å; L170-T193 HydrophobicContact CD2-CG2 3.78Å
171	E	98.9	Very high	98.8	Very high	18 Å²	18	16 Å²	16	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-66.2	-33.9	178.2	-70.3	-60.2	100.2	0	0	112.8	Y91 L124 F167 T173 R174 C175	Y91-E171 WeakPolarHBondContact CE1-OE1 3.35Å; Y91-E171 PolarHBondContact OH-OE1 3.03Å; L124-E171 HydrophobicContact CD2-CB 3.62Å; F167-E171 HydrophobicContact CD1-CG 4.02Å; F167-E171 HydrophobicContact CD2-CG 4.37Å; F167-E171 HydrophobicContact CE1-CG 3.56Å; F167-E171 HydrophobicContact CE2-CG 3.94Å; F167-E171 HydrophobicContact CG-CG 4.4Å; F167-E171 HydrophobicContact CZ-CG 3.51Å; F167-E171 PolarHBondContact O-N 2.77Å; E171-T173 VanDerWaalsContact C-N 3.34Å; E171-R174 PolarHBondContact O-N 3.11Å; E171-R174 IonicContact OE1-NE 3.23Å; E171-R174 IonicContact OE2-CZ 2.7Å; E171-R174 VanDerWaalsContact OE2-CZ 3.23Å; E171-R174 IonicContact OE2-NE 3.54Å; E171-R174 PolarHBondContact OE2-NE 2.91Å; E171-R174 IonicContact OE2-NH2 3.15Å; E171-R174 PolarHBondContact OE2-NH2 3.02Å; E171-C175 PolarHBondContact O-N 3.46Å; E171-C175 PolarHBondContact O-SG 3.37Å
172	S	98.9	Very high	98.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-40.7	173	-67.3	0	0	0	0	111.5	H59 G60 L124 R168 N169 L170 C175 L176	H59-S172 VanDerWaalsContact CA-OG 3.25Å; H59-S172 WeakPolarHBondContact CA-OG 3.42Å; H59-S172 VanDerWaalsContact CB-OG 3.28Å; H59-S172 WeakPolarHBondContact CB-OG 3.48Å; G60-S172 PolarHBondContact N-OG 2.89Å; L124-S172 WeakPolarHBondContact CD1-OG 3.48Å; R168-S172 VanDerWaalsContact O-CB 3.28Å; R168-S172 WeakPolarHBondContact O-CB 3.49Å; R168-S172 PolarHBondContact O-N 2.65Å; R168-S172 VanDerWaalsContact O-N 3.1Å; R168-S172 PolarHBondContact O-OG 3.35Å; N169-S172 PolarHBondContact O-N 3.02Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.17Å; S172-C175 PolarHBondContact O-N 2.93Å; S172-L176 PolarHBondContact O-N 2.85Å
173	T	98.9	Very high	98.7	Very high	5 Å²	5	17 Å²	17	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-47	174.1	-57.4	0	0	0	0	111	F57 I161 N169 L170 E171 C175 L176 L177 I191	F57-T173 HydrophobicContact CZ-CG2 4.46Å; I161-T173 HydrophobicContact CG2-CG2 3.5Å; N169-T173 PolarHBondContact O-N 2.88Å; N169-T173 PolarHBondContact O-OG1 3.48Å; L170-T173 WeakPolarHBondContact O-CB 3.42Å; L170-T173 PolarHBondContact O-N 3.45Å; L170-T173 VanDerWaalsContact O-N 3.13Å; E171-T173 VanDerWaalsContact C-N 3.34Å; T173-C175 VanDerWaalsContact C-N 3.34Å; T173-C175 PolarHBondContact O-N 3.25Å; T173-L176 PolarHBondContact O-N 3.42Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.46Å; T173-L177 WeakPolarHBondContact O-CG 3.45Å; T173-L177 PolarHBondContact O-N 3.09Å; T173-I191 HydrophobicContact CG2-CD1 3.74Å; T173-I191 HydrophobicContact CG2-CG1 4.31Å
174	R	98.9	Very high	98.7	Very high	15 Å²	15	22 Å²	22	6%	0.057	11%	0.107	C	C	.	.	H	α-helix	trans	-52.2	-51.9	173.8	176.4	-176.2	59.1	78.4	-2.6	111.5	T87 F89 Y91 L170 E171 L176 L177 A178	T87-R174 PolarHBondContact O-NH1 3.49Å; T87-R174 PolarHBondContact OG1-NH1 2.77Å; F89-R174 HydrophobicContact CB-CG 4.09Å; F89-R174 VanDerWaalsContact O-CD 3.26Å; F89-R174 WeakPolarHBondContact O-CD 3.49Å; F89-R174 VanDerWaalsContact O-CG 3.29Å; F89-R174 WeakPolarHBondContact O-CG 3.35Å; Y91-R174 HydrophobicContact CD1-CB 3.98Å; Y91-R174 HydrophobicContact CD1-CG 4.06Å; Y91-R174 HydrophobicContact CE1-CB 3.9Å; Y91-R174 HydrophobicContact CE1-CG 4.18Å; L170-R174 PolarHBondContact O-N 3.24Å; E171-R174 PolarHBondContact O-N 3.11Å; E171-R174 IonicContact OE1-NE 3.23Å; E171-R174 IonicContact OE2-CZ 2.7Å; E171-R174 VanDerWaalsContact OE2-CZ 3.23Å; E171-R174 IonicContact OE2-NE 3.54Å; E171-R174 PolarHBondContact OE2-NE 2.91Å; E171-R174 IonicContact OE2-NH2 3.15Å; E171-R174 PolarHBondContact OE2-NH2 3.02Å; R174-L176 VanDerWaalsContact C-N 3.35Å; R174-L176 PolarHBondContact O-N 3.26Å; R174-L177 PolarHBondContact O-N 3.35Å; R174-A178 WeakPolarHBondContact O-CB 3.23Å; R174-A178 PolarHBondContact O-N 3.39Å
175	C	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-177.2	-64.5	0	0	0	0	112.4	T87 M129 M132 F133 E171 S172 T173 A178 G179	T87-C175 HydrophobicContact CG2-CB 4.43Å; M129-C175 VanDerWaalsContact CB-SG 3.55Å; M129-C175 WeakPolarHBondContact O-CB 2.96Å; M132-C175 HydrophobicContact CB-CB 3.61Å; F133-C175 WeakPolarHBondContact CA-O 3.29Å; E171-C175 PolarHBondContact O-N 3.46Å; E171-C175 PolarHBondContact O-SG 3.37Å; S172-C175 PolarHBondContact O-N 2.93Å; T173-C175 VanDerWaalsContact C-N 3.34Å; T173-C175 PolarHBondContact O-N 3.25Å; C175-A178 WeakPolarHBondContact O-CB 3.27Å; C175-A178 PolarHBondContact O-N 2.87Å; C175-G179 PolarHBondContact O-N 3.15Å; C175-G179 VanDerWaalsContact O-N 3.14Å
176	L	98.9	Very high	98.7	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-48	174.3	-176	159.7	0	0	0	111.4	F57 M132 L135 G136 L139 S172 T173 R174 A178 G179 L180	F57-L176 HydrophobicContact CD1-CD1 3.73Å; F57-L176 HydrophobicContact CD2-CD1 4.3Å; F57-L176 HydrophobicContact CE1-CD1 3.68Å; F57-L176 HydrophobicContact CE2-CD1 4.25Å; F57-L176 HydrophobicContact CG-CD1 4.05Å; F57-L176 HydrophobicContact CZ-CD1 3.94Å; M132-L176 HydrophobicContact CE-CB 4.04Å; M132-L176 HydrophobicContact CE-CD1 3.9Å; M132-L176 VanDerWaalsContact O-CA 3.32Å; M132-L176 WeakPolarHBondContact O-CA 3.38Å; L135-L176 HydrophobicContact CD2-CD1 3.74Å; L135-L176 HydrophobicContact CG-CD1 3.98Å; L135-L176 HydrophobicContact CG-CG 4.5Å; G136-L176 VanDerWaalsContact CA-O 3.27Å; G136-L176 WeakPolarHBondContact CA-O 3.4Å; L139-L176 HydrophobicContact CD1-CD1 4.13Å; L139-L176 HydrophobicContact CD1-CD2 3.88Å; L139-L176 HydrophobicContact CD1-CG 4.19Å; S172-L176 PolarHBondContact O-N 2.85Å; T173-L176 PolarHBondContact O-N 3.42Å; R174-L176 VanDerWaalsContact C-N 3.35Å; R174-L176 PolarHBondContact O-N 3.26Å; L176-A178 VanDerWaalsContact C-N 3.26Å; L176-A178 PolarHBondContact O-N 2.99Å; L176-G179 PolarHBondContact O-N 3.31Å; L176-L180 HydrophobicContact CD2-CD2 4.41Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 PolarHBondContact O-N 3.26Å
177	L	98.9	Very high	98.6	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-37.8	177.6	-65.8	169.6	0	0	0	111.5	F89 I161 T173 R174 G179 L180 F181 I189	F89-L177 HydrophobicContact CD1-CB 3.96Å; F89-L177 HydrophobicContact CE1-CB 4.08Å; F89-L177 WeakPolarHBondContact CE1-O 3.42Å; I161-L177 HydrophobicContact CD1-CD1 3.7Å; I161-L177 HydrophobicContact CD1-CD2 4.14Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.46Å; T173-L177 WeakPolarHBondContact O-CG 3.45Å; T173-L177 PolarHBondContact O-N 3.09Å; R174-L177 PolarHBondContact O-N 3.35Å; L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 2.92Å; L177-L180 PolarHBondContact O-N 2.99Å; L177-F181 HydrophobicContact CB-CD2 4.49Å; L177-F181 HydrophobicContact CD2-CD2 4.08Å; L177-F181 HydrophobicContact CD2-CE2 3.78Å; L177-F181 PolarHBondContact O-N 3.36Å; L177-I189 HydrophobicContact CD1-CD1 4.33Å; L177-I189 HydrophobicContact CD1-CG2 3.63Å
178	A	98.9	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-42.3	177.4	0	0	0	0	0	111.5	T87 F89 F133 R174 C175 L176 Q182 C183	T87-A178 WeakPolarHBondContact O-CB 3.36Å; F89-A178 HydrophobicContact CB-CB 4.12Å; F89-A178 HydrophobicContact CD1-CB 4.07Å; F133-A178 HydrophobicContact CD2-CB 4.06Å; F133-A178 HydrophobicContact CE2-CB 4.23Å; R174-A178 WeakPolarHBondContact O-CB 3.23Å; R174-A178 PolarHBondContact O-N 3.39Å; C175-A178 WeakPolarHBondContact O-CB 3.27Å; C175-A178 PolarHBondContact O-N 2.87Å; L176-A178 VanDerWaalsContact C-N 3.26Å; L176-A178 PolarHBondContact O-N 2.99Å; A178-Q182 CarbonylContact O-C 3.53Å; A178-Q182 WeakPolarHBondContact O-CA 3.24Å; A178-Q182 PolarHBondContact O-N 3.38Å; A178-C183 PolarHBondContact O-N 3.09Å
179	G	98.8	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.8	-39.2	174.7	0	0	0	0	0	113.5	F133 G136 C175 L176 L177 Q182	F133-G179 VanDerWaalsContact CE2-CA 3.42Å; G136-G179 VanDerWaalsContact C-C 3.49Å; C175-G179 PolarHBondContact O-N 3.15Å; C175-G179 VanDerWaalsContact O-N 3.14Å; L176-G179 PolarHBondContact O-N 3.31Å; L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 2.92Å; G179-Q182 PolarHBondContact O-NE2 3.22Å
180	L	98.9	Very high	98.6	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-66	-46.7	-179.1	177.4	53.1	0	0	0	111.9	G136 L139 R140 V144 L176 L177	G136-L180 WeakPolarHBondContact O-CA 3.38Å; L139-L180 HydrophobicContact CB-CD1 3.82Å; R140-L180 HydrophobicContact CB-CD1 4.04Å; R140-L180 WeakPolarHBondContact CB-O 3.39Å; R140-L180 WeakPolarHBondContact CD-O 3.28Å; R140-L180 WeakPolarHBondContact CG-O 3.39Å; R140-L180 PolarHBondContact NH1-O 3.48Å; V144-L180 HydrophobicContact CG2-CD1 4.41Å; L176-L180 HydrophobicContact CD2-CD2 4.41Å; L176-L180 WeakPolarHBondContact O-CB 3.18Å; L176-L180 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 2.99Å
181	F	98.8	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-107.7	7.6	-173.9	-59.1	-68.8	0	0	0	113.8	F89 T153 F154 V159 L177 C183 Q184	F89-F181 HydrophobicContact CE1-CB 4.19Å; F89-F181 HydrophobicContact CZ-CB 4.37Å; T153-F181 VanDerWaalsContact C-CD1 3.5Å; F154-F181 HydrophobicContact CB-CB 4.06Å; F154-F181 HydrophobicContact CB-CD1 4.17Å; F154-F181 HydrophobicContact CB-CD2 3.8Å; F154-F181 HydrophobicContact CB-CE2 4.3Å; F154-F181 HydrophobicContact CB-CG 3.73Å; F154-F181 AromaticContact CD2-CD2 3.88Å; F154-F181 HydrophobicContact CD2-CD2 3.88Å; F154-F181 AromaticContact CD2-CE2 3.64Å; F154-F181 HydrophobicContact CD2-CE2 3.64Å; F154-F181 HydrophobicContact CD2-CZ 4.18Å; F154-F181 HydrophobicContact CG-CD2 4.33Å; F154-F181 HydrophobicContact CG-CE2 4.47Å; V159-F181 HydrophobicContact CG2-CE2 4.37Å; V159-F181 HydrophobicContact CG2-CZ 3.79Å; L177-F181 HydrophobicContact CB-CD2 4.49Å; L177-F181 HydrophobicContact CD2-CD2 4.08Å; L177-F181 HydrophobicContact CD2-CE2 3.78Å; L177-F181 PolarHBondContact O-N 3.36Å; F181-C183 PolarHBondContact O-N 3.19Å; F181-Q184 WeakPolarHBondContact O-CB 3.46Å; F181-Q184 PolarHBondContact O-N 3.45Å
182	Q	98.6	Very high	98.6	Very high	75 Å²	75	33 Å²	33	35%	0.35	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	41	177.2	-60.6	-68.1	-57.1	0	0	112.4	A178 G179 Q184	A178-Q182 CarbonylContact O-C 3.53Å; A178-Q182 WeakPolarHBondContact O-CA 3.24Å; A178-Q182 PolarHBondContact O-N 3.38Å; G179-Q182 PolarHBondContact O-NE2 3.22Å; Q182-Q184 PolarHBondContact O-N 3.24Å; Q182-Q184 VanDerWaalsContact O-N 3.1Å; Q182-Q184 PolarHBondContact O-NE2 2.85Å
183	C	98	Very high	98.6	Very high	40 Å²	40	33 Å²	33	27%	0.27	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	18.6	-175.6	-54.5	0	0	0	0	115.1	Q86 Q88 F89 A178 F181	Q86-C183 PolarHBondContact O-SG 2.93Å; Q88-C183 PolarHBondContact O-SG 2.86Å; F89-C183 HydrophobicContact CD2-CB 4.34Å; F89-C183 HydrophobicContact CE2-CB 4.5Å; F89-C183 VanDerWaalsContact CE2-O 3.29Å; F89-C183 WeakPolarHBondContact CE2-O 3.25Å; F89-C183 VanDerWaalsContact CZ-C 3.48Å; A178-C183 PolarHBondContact O-N 3.09Å; F181-C183 PolarHBondContact O-N 3.19Å
184	Q	98.5	Very high	98.5	Very high	112 Å²	112	33.7 Å²	33.7	52%	0.523	17%	0.173	S	C	.	.			trans	-98.3	131.7	176.2	-55	-54.5	-51.9	0	0	110.6	F89 T153 F154 F181 Q182	F89-Q184 WeakPolarHBondContact CZ-O 3.36Å; T153-Q184 HydrophobicContact CG2-CB 3.71Å; F154-Q184 WeakPolarHBondContact CB-O 3.38Å; F154-Q184 PolarHBondContact N-O 3.4Å; F181-Q184 WeakPolarHBondContact O-CB 3.46Å; F181-Q184 PolarHBondContact O-N 3.45Å; Q182-Q184 PolarHBondContact O-N 3.24Å; Q182-Q184 VanDerWaalsContact O-N 3.1Å; Q182-Q184 PolarHBondContact O-NE2 2.85Å
185	K	98.1	Very high	98.4	Very high	94 Å²	94	36.8 Å²	36.8	41%	0.409	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-141.6	139.2	178.9	61.6	-175.8	172.6	70.4	0	112	F89 F154 I189	F89-K185 HydrophobicContact CD2-CD 4.2Å; F89-K185 HydrophobicContact CE2-CB 3.82Å; F89-K185 HydrophobicContact CE2-CD 3.61Å; F89-K185 HydrophobicContact CE2-CG 3.78Å; F89-K185 HydrophobicContact CZ-CB 3.92Å; F89-K185 HydrophobicContact CZ-CD 4.41Å; F89-K185 HydrophobicContact CZ-CG 4.39Å; F154-K185 HydrophobicContact CB-CB 3.91Å; F154-K185 HydrophobicContact CD1-CB 4.05Å; F154-K185 HydrophobicContact CG-CB 4.44Å; K185-I189 HydrophobicContact CD-CD1 4.22Å; K185-I189 HydrophobicContact CD-CG1 4.27Å
186	E	97.8	Very high	98.3	Very high	124 Å²	124	37.7 Å²	37.7	58%	0.579	20%	0.196	S	C	*	.	S	Bend	trans	-89.1	-24.2	174.7	-64.6	178.6	-172.2	0	0	112	T153 F154	T153-E186 PolarHBondContact OG1-OE1 3.44Å; F154-E186 PolarHBondContact O-N 3.1Å
187	G	97.4	Very high	98	Very high	16 Å²	16	41.6 Å²	41.6	17%	0.165	22%	0.217	C	C	.	.	S	Bend	trans	-142.7	-179.8	179.1	0	0	0	0	0	113
188	P	97.9	Very high	97.8	Very high	83 Å²	83	44.3 Å²	44.3	54%	0.539	24%	0.236	S	C	.	.			trans	-67.7	137.6	178.6	28.8	-33.9	0	0	0	111
189	I	98.8	Very high	97.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.6	169.6	-63.9	169.8	0	0	0	107.6	F89 Y91 T92 F154 I161 L177 K185 I191	F89-I189 HydrophobicContact CD1-CD1 3.71Å; F89-I189 HydrophobicContact CD2-CD1 3.92Å; F89-I189 HydrophobicContact CE1-CD1 3.59Å; F89-I189 HydrophobicContact CE2-CD1 3.81Å; F89-I189 HydrophobicContact CG-CD1 3.89Å; F89-I189 HydrophobicContact CZ-CD1 3.64Å; Y91-I189 WeakPolarHBondContact CA-O 3.28Å; T92-I189 PolarHBondContact N-O 2.75Å; T92-I189 PolarHBondContact OG1-O 3.42Å; F154-I189 HydrophobicContact CD1-CD1 4.43Å; F154-I189 HydrophobicContact CD1-CG1 3.56Å; F154-I189 HydrophobicContact CD2-CG1 4.39Å; F154-I189 HydrophobicContact CE1-CB 4.21Å; F154-I189 HydrophobicContact CE1-CG1 3.51Å; F154-I189 HydrophobicContact CE2-CG1 4.35Å; F154-I189 HydrophobicContact CG-CD1 4.5Å; F154-I189 HydrophobicContact CG-CG1 4.02Å; F154-I189 HydrophobicContact CZ-CB 4.41Å; F154-I189 HydrophobicContact CZ-CG1 3.93Å; I161-I189 HydrophobicContact CD1-CG2 3.83Å; L177-I189 HydrophobicContact CD1-CD1 4.33Å; L177-I189 HydrophobicContact CD1-CG2 3.63Å; K185-I189 HydrophobicContact CD-CD1 4.22Å; K185-I189 HydrophobicContact CD-CG1 4.27Å; I189-I191 HydrophobicContact CG2-CG1 4.37Å
190	I	98.8	Very high	97.6	Very high	64 Å²	64	49.5 Å²	49.5	33%	0.328	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.5	177.1	-55.5	177.6	0	0	0	107.9	T94	T94-I190 HydrophobicContact CG2-CG2 3.99Å; T94-I190 WeakPolarHBondContact OG1-CG2 3.45Å
191	I	98.8	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.4	173.4	-54	-177.2	0	0	0	108	Y91 T92 V93 T94 I161 L170 T173 I189	Y91-I191 HydrophobicContact CD2-CD1 3.47Å; Y91-I191 VanDerWaalsContact CD2-CD1 3.47Å; Y91-I191 HydrophobicContact CD2-CG1 3.98Å; Y91-I191 HydrophobicContact CE2-CD1 3.82Å; Y91-I191 HydrophobicContact CG-CD1 3.96Å; T92-I191 PolarHBondContact O-N 3.01Å; V93-I191 WeakPolarHBondContact CA-O 3.43Å; T94-I191 PolarHBondContact N-O 3.02Å; T94-I191 VanDerWaalsContact N-O 3.1Å; I161-I191 HydrophobicContact CG2-CB 4.44Å; I161-I191 HydrophobicContact CG2-CG1 4.11Å; I161-I191 HydrophobicContact CG2-CG2 4.16Å; L170-I191 HydrophobicContact CD2-CG2 3.8Å; T173-I191 HydrophobicContact CG2-CD1 3.74Å; T173-I191 HydrophobicContact CG2-CG1 4.31Å; I189-I191 HydrophobicContact CG2-CG1 4.37Å
192	H	98.8	Very high	97.4	Very high	36 Å²	36	55.6 Å²	55.6	17%	0.167	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.2	175.4	-61.4	-76.7	0	0	0	110.9	T94 N95 L96 F160 I161 R162 S163	T94-H192 PolarHBondContact OG1-ND1 3.04Å; N95-H192 PolarHBondContact O-ND1 3.21Å; L96-H192 HydrophobicContact CD2-CB 4.05Å; F160-H192 AromaticContact CE2-CD2 3.46Å; F160-H192 VanDerWaalsContact CE2-CD2 3.46Å; F160-H192 WeakPolarHBondContact CE2-CD2 3.44Å; F160-H192 AromaticContact CE2-NE2 4Å; I161-H192 PolarHBondContact O-CD2 3.3Å; I161-H192 PolarHBondContact O-N 3.45Å; R162-H192 VanDerWaalsContact CA-O 3.32Å; R162-H192 WeakPolarHBondContact CA-O 3.45Å; S163-H192 PolarHBondContact N-O 3.25Å
193	T	98.7	Very high	97.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165	177.2	58.3	0	0	0	0	109.6	V93 T94 N95 L96 P102 S163 N165 L170	V93-T193 HydrophobicContact CG1-CG2 3.59Å; T94-T193 PolarHBondContact O-N 3.27Å; T94-T193 PolarHBondContact O-OG1 3.3Å; N95-T193 CarbonylContact C-O 3.59Å; N95-T193 VanDerWaalsContact C-O 3.31Å; N95-T193 WeakPolarHBondContact CA-O 3.26Å; L96-T193 PolarHBondContact N-O 3.41Å; P102-T193 WeakPolarHBondContact CD-OG1 3.43Å; S163-T193 WeakPolarHBondContact O-CA 3.13Å; S163-T193 WeakPolarHBondContact O-CG2 3.26Å; N165-T193 HydrophobicContact CB-CG2 4.27Å; L170-T193 HydrophobicContact CD2-CG2 3.78Å
194	D	98	Very high	97	Very high	18 Å²	18	55.2 Å²	55.2	10%	0.096	30%	0.299	C	S	.	.			trans	-123	164.4	179.7	-149.5	0.2	0	0	0	111	L96 R162	L96-D194 HydrophobicContact CD1-CB 4.05Å; L96-D194 VanDerWaalsContact CD1-CG 3.43Å; L96-D194 VanDerWaalsContact CD1-OD2 3.26Å; L96-D194 WeakPolarHBondContact CD1-OD2 3.27Å; L96-D194 HydrophobicContact CG-CB 4.14Å; R162-D194 IonicContact NH2-OD2 3.4Å; R162-D194 PolarHBondContact NH2-OD2 3.45Å
195	E	96.9	Very high	96.5	Very high	80 Å²	80	59.2 Å²	59.2	37%	0.374	31%	0.311	S	S	.	.			trans	-62	145.6	168.6	-69.7	82.6	-162.2	0	0	111	P102 D197 S198 E199	P102-E195 HydrophobicContact CB-CG 4.27Å; E195-D197 WeakPolarHBondContact CB-OD1 3.35Å; E195-D197 PolarHBondContact O-N 3.43Å; E195-S198 PolarHBondContact O-N 3.37Å; E195-S198 VanDerWaalsContact O-N 3.09Å; E195-E199 WeakPolarHBondContact O-CB 3.38Å; E195-E199 PolarHBondContact O-N 3.34Å
196	A	95.2	Very high	95.6	Very high	19 Å²	19	62 Å²	62	16%	0.157	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27	-174.2	0	0	0	0	0	113.8	P105 Y106 Y202 N204	P105-A196 HydrophobicContact CG-CB 3.65Å; Y106-A196 HydrophobicContact CE2-CB 4.23Å; A196-Y202 PolarHBondContact O-OH 3.38Å; A196-N204 PolarHBondContact O-ND2 3.16Å
197	D	94	Very high	94.3	Very high	92 Å²	92	59.8 Å²	59.8	49%	0.492	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.7	176.1	59.1	-0.2	0	0	0	112.6	E195 N204 T207	E195-D197 WeakPolarHBondContact CB-OD1 3.35Å; E195-D197 PolarHBondContact O-N 3.43Å; D197-N204 PolarHBondContact O-ND2 3.2Å; D197-N204 VanDerWaalsContact O-ND2 3.08Å; D197-T207 VanDerWaalsContact O-CB 3.26Å; D197-T207 WeakPolarHBondContact O-CB 3.45Å; D197-T207 VanDerWaalsContact O-CG2 3.29Å; D197-T207 WeakPolarHBondContact O-CG2 3.47Å; D197-T207 PolarHBondContact O-OG1 2.98Å
198	S	95.1	Very high	92.8	Very high	63 Å²	63	63.7 Å²	63.7	44%	0.441	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-9	179.8	-57.5	0	0	0	0	112.8	E195	E195-S198 PolarHBondContact O-N 3.37Å; E195-S198 VanDerWaalsContact O-N 3.09Å
199	E	96.6	Very high	90.8	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.019	35%	0.346	C	S	.	.			trans	-63.3	137.3	-175.4	-174.6	60.3	-87.1	0	0	113	R162 T164 E195 L201 Y202 N204	R162-E199 IonicContact CZ-OE1 2.94Å; R162-E199 IonicContact NE-OE1 3.74Å; R162-E199 IonicContact NH2-OE1 2.86Å; R162-E199 PolarHBondContact NH2-OE1 3.08Å; T164-E199 WeakPolarHBondContact CA-OE2 3.44Å; T164-E199 HydrophobicContact CG2-CG 4.22Å; E195-E199 WeakPolarHBondContact O-CB 3.38Å; E195-E199 PolarHBondContact O-N 3.34Å; E199-L201 HydrophobicContact CG-CB 4.31Å; E199-L201 WeakPolarHBondContact OE1-CB 3.29Å; E199-L201 WeakPolarHBondContact OE1-CG 3.26Å; E199-L201 PolarHBondContact OE1-N 3.2Å; E199-L201 VanDerWaalsContact OE1-N 3.09Å; E199-Y202 HydrophobicContact CB-CE1 3.98Å; E199-Y202 HydrophobicContact CB-CE2 4.4Å; E199-Y202 HydrophobicContact CG-CD1 3.89Å; E199-Y202 HydrophobicContact CG-CE1 3.42Å; E199-Y202 VanDerWaalsContact CG-CE1 3.42Å; E199-Y202 HydrophobicContact CG-CE2 4.48Å; E199-N204 WeakPolarHBondContact O-CB 3.17Å; E199-N204 PolarHBondContact O-ND2 3.09Å
200	V	96.9	Very high	88.8	Confident	105 Å²	105	71.7 Å²	71.7	64%	0.636	39%	0.386	S	S	*	.			trans	-117.8	-6.5	-178.4	-60.5	0	0	0	0	113.2	Y202	V200-Y202 PolarHBondContact O-N 2.56Å
201	L	97	Very high	86.4	Confident	90 Å²	90	75.2 Å²	75.2	47%	0.471	41%	0.414	S	S	.	.	S	Bend	trans	-75.6	-0.1	178.1	-66.9	-179.6	0	0	0	113.9	R162 T164 E199	R162-L201 HydrophobicContact CG-CD1 3.94Å; T164-L201 HydrophobicContact CG2-CB 3.56Å; T164-L201 HydrophobicContact CG2-CD1 4.15Å; E199-L201 HydrophobicContact CG-CB 4.31Å; E199-L201 WeakPolarHBondContact OE1-CB 3.29Å; E199-L201 WeakPolarHBondContact OE1-CG 3.26Å; E199-L201 PolarHBondContact OE1-N 3.2Å; E199-L201 VanDerWaalsContact OE1-N 3.09Å
202	Y	95.3	Very high	84.2	Confident	50 Å²	50	78.6 Å²	78.6	20%	0.196	45%	0.449	C	S	.	.	S	Bend	trans	-142	159	164.3	52.5	-105.2	0	0	0	109.6	Y106 T164 A196 E199 V200 N204	Y106-Y202 HydrophobicContact CE2-CE1 4.3Å; Y106-Y202 PolarHBondContact OH-OH 2.96Å; T164-Y202 HydrophobicContact CG2-CD1 3.81Å; T164-Y202 HydrophobicContact CG2-CE1 4.12Å; A196-Y202 PolarHBondContact O-OH 3.38Å; E199-Y202 HydrophobicContact CB-CE1 3.98Å; E199-Y202 HydrophobicContact CB-CE2 4.4Å; E199-Y202 HydrophobicContact CG-CD1 3.89Å; E199-Y202 HydrophobicContact CG-CE1 3.42Å; E199-Y202 VanDerWaalsContact CG-CE1 3.42Å; E199-Y202 HydrophobicContact CG-CE2 4.48Å; V200-Y202 PolarHBondContact O-N 2.56Å; Y202-N204 HydrophobicContact CD2-CB 4.4Å; Y202-N204 HydrophobicContact CE2-CB 4.17Å; Y202-N204 PolarHBondContact O-N 2.92Å
203	P	95.1	Very high	81.4	Confident	91 Å²	91	86 Å²	86	59%	0.591	51%	0.505	S	S	*	.			trans	-59	109.1	172	-24.2	35.2	0	0	0	111	Y205	P203-Y205 HydrophobicContact CB-CD2 4.32Å; P203-Y205 HydrophobicContact CB-CE1 4.46Å; P203-Y205 HydrophobicContact CB-CE2 3.6Å; P203-Y205 WeakPolarHBondContact O-CD2 3.49Å; P203-Y205 PolarHBondContact O-N 3.46Å
204	N	92.8	Very high	80.5	Confident	17 Å²	17	90.3 Å²	90.3	9%	0.091	53%	0.53	C	S	.	.			trans	-93	85	-174.9	-164.3	-21.3	0	0	0	111.5	A196 D197 E199 Y202 Q206 T207 V208	A196-N204 PolarHBondContact O-ND2 3.16Å; D197-N204 PolarHBondContact O-ND2 3.2Å; D197-N204 VanDerWaalsContact O-ND2 3.08Å; E199-N204 WeakPolarHBondContact O-CB 3.17Å; E199-N204 PolarHBondContact O-ND2 3.09Å; Y202-N204 HydrophobicContact CD2-CB 4.4Å; Y202-N204 HydrophobicContact CE2-CB 4.17Å; Y202-N204 PolarHBondContact O-N 2.92Å; N204-Q206 PolarHBondContact O-N 3.37Å; N204-Q206 PolarHBondContact OD1-N 3.3Å; N204-T207 PolarHBondContact OD1-N 2.84Å; N204-T207 PolarHBondContact OD1-OG1 2.79Å; N204-V208 WeakPolarHBondContact O-CB 3.48Å; N204-V208 WeakPolarHBondContact O-CG2 3.44Å; N204-V208 PolarHBondContact O-N 3.36Å; N204-V208 VanDerWaalsContact O-N 3.16Å
205	Y	88.9	Confident	79.6	Confident	196 Å²	196	94.1 Å²	94.1	77%	0.769	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-11.2	-178.4	-60.1	-73.9	0	0	0	114.4	P203	P203-Y205 HydrophobicContact CB-CD2 4.32Å; P203-Y205 HydrophobicContact CB-CE1 4.46Å; P203-Y205 HydrophobicContact CB-CE2 3.6Å; P203-Y205 WeakPolarHBondContact O-CD2 3.49Å; P203-Y205 PolarHBondContact O-N 3.46Å
206	Q	79.1	Confident	78.6	Confident	152 Å²	152	94.9 Å²	94.9	71%	0.71	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-34.2	179.3	-67.8	166.1	-24.7	0	0	111.1	N204	N204-Q206 PolarHBondContact O-N 3.37Å; N204-Q206 PolarHBondContact OD1-N 3.3Å
207	T	70.6	Confident	77.7	Confident	77 Å²	77	99.4 Å²	99.4	47%	0.472	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-32.4	-175.6	-48.5	0	0	0	0	112.4	D197 N204 S209	D197-T207 VanDerWaalsContact O-CB 3.26Å; D197-T207 WeakPolarHBondContact O-CB 3.45Å; D197-T207 VanDerWaalsContact O-CG2 3.29Å; D197-T207 WeakPolarHBondContact O-CG2 3.47Å; D197-T207 PolarHBondContact O-OG1 2.98Å; N204-T207 PolarHBondContact OD1-N 2.84Å; N204-T207 PolarHBondContact OD1-OG1 2.79Å; T207-S209 PolarHBondContact O-N 3.12Å
208	V	64.9	Low	76.7	Confident	98 Å²	98	99.8 Å²	99.8	59%	0.594	59%	0.593	S	S	*	*			trans	-83.9	96.2	174.5	-176.6	0	0	0	0	108.5	N204 L210	N204-V208 WeakPolarHBondContact O-CB 3.48Å; N204-V208 WeakPolarHBondContact O-CG2 3.44Å; N204-V208 PolarHBondContact O-N 3.36Å; N204-V208 VanDerWaalsContact O-N 3.16Å; V208-L210 PolarHBondContact O-N 3.22Å
209	S	57	Low	75.4	Confident	94 Å²	94	102.3 Å²	102.3	66%	0.657	60%	0.603	S	S	*	*			trans	-58.6	129.7	156.7	47.3	0	0	0	0	107.5	T207 C211	T207-S209 PolarHBondContact O-N 3.12Å; S209-C211 VanDerWaalsContact C-N 3.35Å; S209-C211 PolarHBondContact O-N 3.31Å
210	L	55.7	Low	73.9	Confident	160 Å²	160	109.3 Å²	109.3	84%	0.838	65%	0.645	S	S	*	*			trans	-57.1	104.2	167.3	-70.9	164.8	0	0	0	106.6	V208 G212	V208-L210 PolarHBondContact O-N 3.22Å; L210-G212 PolarHBondContact O-N 3.29Å
211	C	48.4	Very low	72.1	Confident	138 Å²	138	109.6 Å²	109.6	93%	0.932	65%	0.645	S	S	*	*	S	Bend	trans	-60	91	165.1	-91.8	0	0	0	0	107.1	S209	S209-C211 VanDerWaalsContact C-N 3.35Å; S209-C211 PolarHBondContact O-N 3.31Å
212	G	54.1	Low	70.1	Confident	71 Å²	71	111.3 Å²	111.3	73%	0.732	66%	0.66	S	S	*	*			trans	169.3	62.5	-172	0	0	0	0	0	113.2	L210	L210-G212 PolarHBondContact O-N 3.29Å
213	S	39	Very low	67.8	Low	191 Å²	191	116.8 Å²	116.8	100%	1.336	70%	0.702	S	S	*	*			trans	-146.1	0	153.6	60.4	0	0	0	0	109.1

Retrieved 213 of 213 residues in 117 ms (Link to these results)

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