A0A096N113_PAPAN Loading...

LIM domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096N113, Species PAPAN (Papio anubis, Olive baboon), Gene LIMD1, Length 676 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	50.8	Low	54.2	Low	180 Å²	180	119.4 Å²	119.4	89%	0.887	61%	0.609	S	S	*	*				0	7.9	0	-106	50.6	171.4	0	0	112.6	K3 Y4	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; M1-K3 VanDerWaalsContact O-N 3.1Å; M1-Y4 PolarHBondContact O-N 3.15Å
2	D	45.7	Very low	54.9	Low	128 Å²	128	114.9 Å²	114.9	68%	0.684	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn		-82.9	-18.2	-124.4	-42.7	-96.9	0	0	0	112.2	Y4 D5 D6	D2-Y4 VanDerWaalsContact C-N 3.31Å; D2-Y4 PolarHBondContact O-N 3.02Å; D2-D5 WeakPolarHBondContact CA-OD2 3.3Å; D2-D5 PolarHBondContact O-N 3.38Å; D2-D6 PolarHBondContact O-N 2.79Å
3	K	48.5	Very low	55.7	Low	175 Å²	175	115.9 Å²	115.9	76%	0.761	59%	0.594	S	S	*	*	H	α-helix	trans	-73	-17.4	173	-72.1	-167.4	170.6	-168.2	0	114.4	M1	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.21Å; M1-K3 VanDerWaalsContact O-N 3.1Å
4	Y	48.4	Very low	55.9	Low	192 Å²	192	116.9 Å²	116.9	75%	0.753	59%	0.592	S	S	*	*	H	α-helix	trans	-83.1	-30.2	171.6	-93.8	-88.9	0	0	0	111.9	M1 D2 L7 G8	M1-Y4 PolarHBondContact O-N 3.15Å; D2-Y4 VanDerWaalsContact C-N 3.31Å; D2-Y4 PolarHBondContact O-N 3.02Å; Y4-L7 PolarHBondContact O-N 2.72Å; Y4-G8 PolarHBondContact O-N 2.93Å
5	D	49.8	Very low	56.4	Low	90 Å²	90	116.5 Å²	116.5	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-70.3	-42.3	178.9	-54.2	-77	0	0	0	111.1	D2 L7 G8 L9	D2-D5 WeakPolarHBondContact CA-OD2 3.3Å; D2-D5 PolarHBondContact O-N 3.38Å; D5-L7 PolarHBondContact O-N 3Å; D5-G8 PolarHBondContact O-N 3.43Å; D5-L9 WeakPolarHBondContact O-CG 3.17Å; D5-L9 PolarHBondContact O-N 2.79Å
6	D	53.4	Low	56.5	Low	112 Å²	112	117.8 Å²	117.8	60%	0.599	59%	0.593	S	S	*	*	H	α-helix	trans	-57.3	-45.4	170.3	-79.2	-27	0	0	0	112.2	D2 G8 L9 E10	D2-D6 PolarHBondContact O-N 2.79Å; D6-G8 VanDerWaalsContact C-N 3.33Å; D6-G8 PolarHBondContact O-N 3.47Å; D6-L9 PolarHBondContact O-N 3.49Å; D6-E10 WeakPolarHBondContact O-CB 3.25Å; D6-E10 PolarHBondContact O-N 3.1Å
7	L	60.1	Low	56.3	Low	97 Å²	97	116.1 Å²	116.1	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-66.9	-33.3	176.9	-82.7	167	0	0	0	112.6	Y4 D5 A11	Y4-L7 PolarHBondContact O-N 2.72Å; D5-L7 PolarHBondContact O-N 3Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 2.97Å
8	G	61.1	Low	56.1	Low	34 Å²	34	114.9 Å²	114.9	35%	0.351	58%	0.582	S	S	.	*	H	α-helix	trans	-67.9	-38.7	173.1	0	0	0	0	0	112.3	Y4 D5 D6 S12	Y4-G8 PolarHBondContact O-N 2.93Å; D5-G8 PolarHBondContact O-N 3.43Å; D6-G8 VanDerWaalsContact C-N 3.33Å; D6-G8 PolarHBondContact O-N 3.47Å; G8-S12 VanDerWaalsContact O-CB 3.26Å; G8-S12 WeakPolarHBondContact O-CB 3.47Å; G8-S12 PolarHBondContact O-N 2.93Å; G8-S12 PolarHBondContact O-OG 3.25Å
9	L	57.1	Low	55.4	Low	117 Å²	117	115.4 Å²	115.4	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-70.8	-42.8	175.3	-73.1	164.4	0	0	0	111.9	D5 D6 S12 K13	D5-L9 WeakPolarHBondContact O-CG 3.17Å; D5-L9 PolarHBondContact O-N 2.79Å; D6-L9 PolarHBondContact O-N 3.49Å; L9-S12 PolarHBondContact O-N 2.73Å; L9-K13 WeakPolarHBondContact O-CB 3.3Å; L9-K13 PolarHBondContact O-N 2.85Å
10	E	62.6	Low	54.8	Low	137 Å²	137	116.9 Å²	116.9	64%	0.64	59%	0.592	S	S	*	*	H	α-helix	trans	-62.5	-43.2	174.7	-171.3	173.1	-134	0	0	111.3	D6 F14	D6-E10 WeakPolarHBondContact O-CB 3.25Å; D6-E10 PolarHBondContact O-N 3.1Å; E10-F14 WeakPolarHBondContact O-CB 3.4Å; E10-F14 PolarHBondContact O-N 3.33Å
11	A	58.9	Low	54.5	Low	51 Å²	51	120.9 Å²	120.9	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-67.4	-40.5	174.5	0	0	0	0	0	112.9	L7 F14 I15	L7-A11 WeakPolarHBondContact O-CB 3.44Å; L7-A11 PolarHBondContact O-N 2.97Å; A11-F14 PolarHBondContact O-N 3.49Å; A11-I15 WeakPolarHBondContact O-CD1 3.4Å; A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.11Å
12	S	62.7	Low	54.1	Low	66 Å²	66	120.9 Å²	120.9	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-65	-43.6	178	-60.3	0	0	0	0	111.4	G8 L9 F14 I15 E16	G8-S12 VanDerWaalsContact O-CB 3.26Å; G8-S12 WeakPolarHBondContact O-CB 3.47Å; G8-S12 PolarHBondContact O-N 2.93Å; G8-S12 PolarHBondContact O-OG 3.25Å; L9-S12 PolarHBondContact O-N 2.73Å; S12-F14 VanDerWaalsContact C-N 3.35Å; S12-F14 PolarHBondContact O-N 3.43Å; S12-I15 WeakPolarHBondContact O-CB 3.26Å; S12-I15 PolarHBondContact O-N 3.11Å; S12-I15 VanDerWaalsContact O-N 3.15Å; S12-E16 PolarHBondContact O-N 3.23Å
13	K	65.6	Low	53.6	Low	128 Å²	128	119 Å²	119	56%	0.557	60%	0.602	S	S	*	*	H	α-helix	trans	-61.4	-42.9	174	-173.5	-171.5	170.8	-166.9	0	111.5	L9 I15 E16 D17	L9-K13 WeakPolarHBondContact O-CB 3.3Å; L9-K13 PolarHBondContact O-N 2.85Å; K13-I15 VanDerWaalsContact C-N 3.25Å; K13-I15 PolarHBondContact O-N 3.09Å; K13-E16 PolarHBondContact O-N 2.94Å; K13-E16 VanDerWaalsContact O-N 3.15Å; K13-D17 WeakPolarHBondContact O-CB 3.44Å; K13-D17 PolarHBondContact O-N 3.16Å
14	F	57.4	Low	53	Low	130 Å²	130	115.6 Å²	115.6	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-64.5	-29.6	176.2	-168.4	-102.7	0	0	0	112.8	E10 A11 S12 L18	E10-F14 WeakPolarHBondContact O-CB 3.4Å; E10-F14 PolarHBondContact O-N 3.33Å; A11-F14 PolarHBondContact O-N 3.49Å; S12-F14 VanDerWaalsContact C-N 3.35Å; S12-F14 PolarHBondContact O-N 3.43Å; F14-L18 HydrophobicContact CD1-CD1 3.84Å; F14-L18 HydrophobicContact CD1-CG 4.48Å; F14-L18 HydrophobicContact CE1-CD1 3.66Å; F14-L18 HydrophobicContact CE1-CG 4.28Å; F14-L18 HydrophobicContact CZ-CD1 4.48Å; F14-L18 WeakPolarHBondContact O-CB 3.41Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 2.88Å
15	I	63.7	Low	52.7	Low	111 Å²	111	115.8 Å²	115.8	57%	0.569	60%	0.604	S	S	*	*	H	α-helix	trans	-72.9	-37.7	172.1	-69.7	163.1	0	0	0	111.2	A11 S12 K13 L18 N19	A11-I15 WeakPolarHBondContact O-CD1 3.4Å; A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.44Å; A11-I15 PolarHBondContact O-N 3.11Å; S12-I15 WeakPolarHBondContact O-CB 3.26Å; S12-I15 PolarHBondContact O-N 3.11Å; S12-I15 VanDerWaalsContact O-N 3.15Å; K13-I15 VanDerWaalsContact C-N 3.25Å; K13-I15 PolarHBondContact O-N 3.09Å; I15-L18 PolarHBondContact O-N 3.26Å; I15-N19 VanDerWaalsContact O-CB 3.28Å; I15-N19 WeakPolarHBondContact O-CB 3.45Å; I15-N19 PolarHBondContact O-N 2.82Å
16	E	58.9	Low	52.4	Low	137 Å²	137	118.1 Å²	118.1	64%	0.64	62%	0.617	S	S	*	*	H	α-helix	trans	-66.3	-43.4	171.9	-70.2	-174.8	135	0	0	112.1	S12 K13 L18 N19 M20	S12-E16 PolarHBondContact O-N 3.23Å; K13-E16 PolarHBondContact O-N 2.94Å; K13-E16 VanDerWaalsContact O-N 3.15Å; E16-L18 VanDerWaalsContact C-N 3.28Å; E16-L18 PolarHBondContact O-N 3.24Å; E16-N19 PolarHBondContact O-N 3.07Å; E16-N19 VanDerWaalsContact O-N 3.14Å; E16-M20 PolarHBondContact O-N 3.1Å
17	D	52.2	Low	52.1	Low	88 Å²	88	117 Å²	117	47%	0.471	63%	0.632	S	S	.	*	H	α-helix	trans	-62.3	-33.5	175.4	-72.7	-31.6	0	0	0	111.6	K13	K13-D17 WeakPolarHBondContact O-CB 3.44Å; K13-D17 PolarHBondContact O-N 3.16Å
18	L	52.4	Low	51.4	Low	96 Å²	96	119 Å²	119	50%	0.503	64%	0.643	S	S	.	*	H	α-helix	trans	-73	-40.1	170.5	-81.4	169.1	0	0	0	113	F14 I15 E16 M20 Y21	F14-L18 HydrophobicContact CD1-CD1 3.84Å; F14-L18 HydrophobicContact CD1-CG 4.48Å; F14-L18 HydrophobicContact CE1-CD1 3.66Å; F14-L18 HydrophobicContact CE1-CG 4.28Å; F14-L18 HydrophobicContact CZ-CD1 4.48Å; F14-L18 WeakPolarHBondContact O-CB 3.41Å; F14-L18 WeakPolarHBondContact O-CG 3.32Å; F14-L18 PolarHBondContact O-N 2.88Å; I15-L18 PolarHBondContact O-N 3.26Å; E16-L18 VanDerWaalsContact C-N 3.28Å; E16-L18 PolarHBondContact O-N 3.24Å; L18-M20 PolarHBondContact O-N 2.83Å; L18-Y21 WeakPolarHBondContact O-CA 3.4Å; L18-Y21 PolarHBondContact O-N 2.82Å
19	N	42.6	Very low	50	Low	124 Å²	124	126.6 Å²	126.6	66%	0.663	67%	0.666	S	S	*	*	H	α-helix	trans	-67.5	-20	178.5	-163.8	41.7	0	0	0	112.1	I15 E16 Y21	I15-N19 VanDerWaalsContact O-CB 3.28Å; I15-N19 WeakPolarHBondContact O-CB 3.45Å; I15-N19 PolarHBondContact O-N 2.82Å; E16-N19 PolarHBondContact O-N 3.07Å; E16-N19 VanDerWaalsContact O-N 3.14Å; N19-Y21 PolarHBondContact O-N 3.01Å
20	M	44.8	Very low	49.4	Very low	145 Å²	145	127.6 Å²	127.6	71%	0.714	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.1	166.1	-110.2	-118	57	0	0	113.8	E16 L18	E16-M20 PolarHBondContact O-N 3.1Å; L18-M20 PolarHBondContact O-N 2.83Å
21	Y	48.1	Very low	48.3	Very low	201 Å²	201	127.5 Å²	127.5	79%	0.788	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	2.4	-176	-89.4	-83.9	0	0	0	115.9	L18 N19	L18-Y21 WeakPolarHBondContact O-CA 3.4Å; L18-Y21 PolarHBondContact O-N 2.82Å; N19-Y21 PolarHBondContact O-N 3.01Å
22	E	42.3	Very low	47.1	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	68%	0.681	S	S	*	*	S	Bend	trans	-119.3	60.9	173.8	-71.9	-155.1	135.6	0	0	113.8
23	A	34.6	Very low	46.2	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	70%	0.702	S	S	*	*			trans	-148.3	18.8	167	0	0	0	0	0	116.3	K25	A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.17Å
24	S	35.7	Very low	44.9	Very low	103 Å²	103	134 Å²	134	72%	0.72	70%	0.702	S	S	*	*			trans	-71.4	88.7	168	-70.2	0	0	0	0	110	D26	S24-D26 PolarHBondContact O-N 3.41Å
25	K	42.3	Very low	44.4	Very low	196 Å²	196	132 Å²	132	85%	0.852	71%	0.71	S	S	*	*			trans	-66.6	-22.1	-174.7	-168.1	179.2	176.2	-170.7	0	113.6	A23	A23-K25 VanDerWaalsContact C-N 3.32Å; A23-K25 PolarHBondContact O-N 3.17Å
26	D	43	Very low	43.5	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	71%	0.711	S	S	*	*	S	Bend	trans	-99.1	110.5	-178.5	-57	-68.9	0	0	0	109.9	S24 L28	S24-D26 PolarHBondContact O-N 3.41Å; D26-L28 VanDerWaalsContact C-N 3.32Å; D26-L28 PolarHBondContact O-N 2.9Å
27	G	47.8	Very low	42.7	Very low	90 Å²	90	130.3 Å²	130.3	93%	0.928	72%	0.72	S	S	*	*			trans	-74.8	69.6	-166.6	0	0	0	0	0	114.9
28	L	44.9	Very low	42.5	Very low	138 Å²	138	130.1 Å²	130.1	72%	0.723	72%	0.719	S	S	*	*			trans	-136.3	73.8	-179.5	-170.8	69.1	0	0	0	113.1	D26	D26-L28 VanDerWaalsContact C-N 3.32Å; D26-L28 PolarHBondContact O-N 2.9Å
29	F	33	Very low	42.7	Very low	193 Å²	193	130.2 Å²	130.2	85%	0.846	73%	0.725	S	S	*	*			trans	-138.5	128.7	154	-83.1	-71.9	0	0	0	111.7
30	R	43.9	Very low	43.3	Very low	138 Å²	138	131 Å²	131	52%	0.521	72%	0.724	S	S	.	*			trans	-71.3	124.3	168.1	-76.6	171.7	153.2	-135.9	-0.5	108.5	D32 M547 D571	R30-D32 PolarHBondContact O-N 3.25Å; R30-D32 VanDerWaalsContact O-N 3.14Å; R30-M547 HydrophobicContact CG-CE 4.35Å; R30-D571 IonicContact CZ-OD1 3.72Å; R30-D571 IonicContact NH2-OD1 3.13Å; R30-D571 PolarHBondContact NH2-OD1 2.82Å; R30-D571 IonicContact NH2-OD2 3.28Å; R30-D571 PolarHBondContact NH2-OD2 2.95Å
31	V	39.4	Very low	44.1	Very low	136 Å²	136	130.2 Å²	130.2	82%	0.824	72%	0.718	S	S	*	*			trans	-71.5	103.9	159.5	176.9	0	0	0	0	107.1	K33	V31-K33 PolarHBondContact O-N 3.17Å
32	D	33.6	Very low	45	Very low	121 Å²	121	124.1 Å²	124.1	65%	0.647	70%	0.696	S	S	*	*			trans	-68	119.7	173.9	-164.7	-65.4	0	0	0	109.8	R30 G34 A35	R30-D32 PolarHBondContact O-N 3.25Å; R30-D32 VanDerWaalsContact O-N 3.14Å; D32-G34 PolarHBondContact O-N 3.43Å; D32-G34 VanDerWaalsContact O-N 3.16Å; D32-G34 PolarHBondContact OD1-N 2.86Å; D32-A35 PolarHBondContact O-N 2.86Å
33	K	44.5	Very low	46.3	Very low	207 Å²	207	121.3 Å²	121.3	90%	0.9	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	1.5	-171.3	-143.6	172.2	-177.2	179.1	0	113.1	V31	V31-K33 PolarHBondContact O-N 3.17Å
34	G	38.6	Very low	48.3	Very low	54 Å²	54	120 Å²	120	56%	0.557	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-23	172.5	0	0	0	0	0	115.1	D32 G36	D32-G34 PolarHBondContact O-N 3.43Å; D32-G34 VanDerWaalsContact O-N 3.16Å; D32-G34 PolarHBondContact OD1-N 2.86Å; G34-G36 PolarHBondContact O-N 2.8Å
35	A	46.8	Very low	50.2	Low	88 Å²	88	121.1 Å²	121.1	73%	0.727	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-73.1	4	-171.5	0	0	0	0	0	115.6	D32 N37	D32-A35 PolarHBondContact O-N 2.86Å; A35-N37 VanDerWaalsContact C-N 3.34Å; A35-N37 PolarHBondContact O-N 2.99Å
36	G	43.1	Very low	51.7	Low	58 Å²	58	119 Å²	119	60%	0.598	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-81.9	10.4	-172.5	0	0	0	0	0	117	G34	G34-G36 PolarHBondContact O-N 2.8Å
37	N	42.4	Very low	53.4	Low	153 Å²	153	116.4 Å²	116.4	82%	0.818	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-130.6	35.8	-171.2	-72.5	-66.1	0	0	0	114.7	A35 P39	A35-N37 VanDerWaalsContact C-N 3.34Å; A35-N37 PolarHBondContact O-N 2.99Å; N37-P39 WeakPolarHBondContact O-CD 3.36Å
38	N	48.6	Very low	54.4	Low	85 Å²	85	117.8 Å²	117.8	46%	0.455	61%	0.611	S	S	.	*			trans	-87.7	110.5	161.3	-174.5	-12.5	0	0	0	109.6	E40 F41 E42	N38-E40 PolarHBondContact O-N 2.89Å; N38-E40 WeakPolarHBondContact OD1-CB 3.42Å; N38-E40 PolarHBondContact OD1-N 2.87Å; N38-F41 HydrophobicContact CB-CB 4.3Å; N38-F41 PolarHBondContact O-N 3.5Å; N38-E42 PolarHBondContact O-N 2.73Å
39	P	56.5	Low	55.9	Low	97 Å²	97	114.1 Å²	114.1	63%	0.63	60%	0.601	S	S	*	*	H	α-helix	trans	-63	-30.2	-177.5	26.4	-35.1	0	0	0	113.2	N37 F41 E42 E43	N37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-F41 VanDerWaalsContact C-N 3.34Å; P39-F41 PolarHBondContact O-N 2.94Å; P39-E42 PolarHBondContact O-N 3.19Å; P39-E43 WeakPolarHBondContact O-CB 3.24Å; P39-E43 PolarHBondContact O-N 2.88Å
40	E	55.7	Low	58.2	Low	140 Å²	140	108.6 Å²	108.6	65%	0.654	58%	0.583	S	S	*	*	H	α-helix	trans	-68.6	-33.2	-179.1	-167.2	171.7	-141.5	0	0	111.8	N38 T44	N38-E40 PolarHBondContact O-N 2.89Å; N38-E40 WeakPolarHBondContact OD1-CB 3.42Å; N38-E40 PolarHBondContact OD1-N 2.87Å; E40-T44 WeakPolarHBondContact O-CB 3.31Å; E40-T44 PolarHBondContact O-N 3.35Å; E40-T44 PolarHBondContact O-OG1 3.47Å
41	F	61.2	Low	59.9	Low	130 Å²	130	107.9 Å²	107.9	57%	0.57	58%	0.583	S	S	*	*	H	α-helix	trans	-75.8	-36.4	175.5	-160.2	-109	0	0	0	112	N38 P39 T44 R45	N38-F41 HydrophobicContact CB-CB 4.3Å; N38-F41 PolarHBondContact O-N 3.5Å; P39-F41 VanDerWaalsContact C-N 3.34Å; P39-F41 PolarHBondContact O-N 2.94Å; F41-T44 PolarHBondContact O-N 2.85Å; F41-R45 WeakPolarHBondContact O-CB 3.09Å; F41-R45 PolarHBondContact O-N 2.82Å
42	E	67.7	Low	61.4	Low	73 Å²	73	106 Å²	106	34%	0.341	57%	0.567	S	S	.	*	H	α-helix	trans	-72.4	-31.5	175.1	-156.6	62.8	-118.3	0	0	112.3	N38 P39 R45 R46	N38-E42 PolarHBondContact O-N 2.73Å; P39-E42 PolarHBondContact O-N 3.19Å; E42-R45 IonicContact OE1-CZ 2.89Å; E42-R45 IonicContact OE1-NH1 2.89Å; E42-R45 PolarHBondContact OE1-NH1 3.09Å; E42-R45 IonicContact OE2-CZ 3.61Å; E42-R45 IonicContact OE2-NH1 2.7Å; E42-R45 PolarHBondContact OE2-NH1 3.33Å; E42-R46 WeakPolarHBondContact O-CB 3.38Å; E42-R46 VanDerWaalsContact O-CG 3.3Å; E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 2.78Å; E42-R46 PolarHBondContact O-NE 3.12Å
43	E	68.5	Low	63.5	Low	121 Å²	121	103.1 Å²	103.1	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-67.2	-48.9	167.5	-178	156	-155.6	0	0	111.3	P39 R45 R46 V47	P39-E43 WeakPolarHBondContact O-CB 3.24Å; P39-E43 PolarHBondContact O-N 2.88Å; E43-R45 VanDerWaalsContact C-N 3.34Å; E43-R45 PolarHBondContact O-N 3.16Å; E43-R46 CarbonylContact O-C 3.59Å; E43-R46 PolarHBondContact O-N 3.03Å; E43-R46 VanDerWaalsContact O-N 3.09Å; E43-V47 HydrophobicContact CG-CG2 4.39Å; E43-V47 WeakPolarHBondContact O-CG2 3.46Å; E43-V47 PolarHBondContact O-N 3.12Å
44	T	76.8	Confident	65.1	Low	60 Å²	60	99.9 Å²	99.9	37%	0.368	55%	0.546	S	S	.	.	H	α-helix	trans	-53.7	-49.5	175.1	-62.3	0	0	0	0	111.5	E40 F41 R46 V47 F48	E40-T44 WeakPolarHBondContact O-CB 3.31Å; E40-T44 PolarHBondContact O-N 3.35Å; E40-T44 PolarHBondContact O-OG1 3.47Å; F41-T44 PolarHBondContact O-N 2.85Å; T44-R46 VanDerWaalsContact C-N 3.34Å; T44-R46 PolarHBondContact O-N 3.19Å; T44-V47 PolarHBondContact O-N 2.83Å; T44-F48 HydrophobicContact CG2-CD2 3.8Å; T44-F48 HydrophobicContact CG2-CE2 3.81Å; T44-F48 WeakPolarHBondContact O-CD2 3.47Å; T44-F48 PolarHBondContact O-N 3.15Å
45	R	76.1	Confident	67.1	Low	127 Å²	127	101.1 Å²	101.1	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-57.8	-43.1	176.9	-168.7	-173.7	-64.2	142.2	0.2	112.2	F41 E42 E43 A49	F41-R45 WeakPolarHBondContact O-CB 3.09Å; F41-R45 PolarHBondContact O-N 2.82Å; E42-R45 IonicContact OE1-CZ 2.89Å; E42-R45 IonicContact OE1-NH1 2.89Å; E42-R45 PolarHBondContact OE1-NH1 3.09Å; E42-R45 IonicContact OE2-CZ 3.61Å; E42-R45 IonicContact OE2-NH1 2.7Å; E42-R45 PolarHBondContact OE2-NH1 3.33Å; E43-R45 VanDerWaalsContact C-N 3.34Å; E43-R45 PolarHBondContact O-N 3.16Å; R45-A49 WeakPolarHBondContact O-CB 3.45Å; R45-A49 PolarHBondContact O-N 3.39Å
46	R	74.6	Confident	68.3	Low	150 Å²	150	103.1 Å²	103.1	57%	0.566	53%	0.533	S	S	*	.	H	α-helix	trans	-68.7	-36.6	176.9	-75.1	-180	-66.4	169.1	4.1	112.8	E42 E43 T44 T50	E42-R46 WeakPolarHBondContact O-CB 3.38Å; E42-R46 VanDerWaalsContact O-CG 3.3Å; E42-R46 WeakPolarHBondContact O-CG 3.46Å; E42-R46 PolarHBondContact O-N 2.78Å; E42-R46 PolarHBondContact O-NE 3.12Å; E43-R46 CarbonylContact O-C 3.59Å; E43-R46 PolarHBondContact O-N 3.03Å; E43-R46 VanDerWaalsContact O-N 3.09Å; T44-R46 VanDerWaalsContact C-N 3.34Å; T44-R46 PolarHBondContact O-N 3.19Å; R46-T50 VanDerWaalsContact O-CB 3.27Å; R46-T50 WeakPolarHBondContact O-CB 3.42Å; R46-T50 PolarHBondContact O-N 2.94Å; R46-T50 PolarHBondContact O-OG1 2.66Å
47	V	77.9	Confident	70.2	Confident	85 Å²	85	104.7 Å²	104.7	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-46	174.5	170	0	0	0	0	110.7	E43 T44 T50 K51	E43-V47 HydrophobicContact CG-CG2 4.39Å; E43-V47 WeakPolarHBondContact O-CG2 3.46Å; E43-V47 PolarHBondContact O-N 3.12Å; T44-V47 PolarHBondContact O-N 2.83Å; V47-T50 PolarHBondContact O-N 3.28Å; V47-K51 WeakPolarHBondContact O-CB 3.43Å; V47-K51 PolarHBondContact O-N 2.94Å
48	F	69.6	Low	72	Confident	120 Å²	120	103.4 Å²	103.4	53%	0.526	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-46.9	175.7	-86.4	-78.6	0	0	0	112.5	T44 T50 K51 M52	T44-F48 HydrophobicContact CG2-CD2 3.8Å; T44-F48 HydrophobicContact CG2-CE2 3.81Å; T44-F48 WeakPolarHBondContact O-CD2 3.47Å; T44-F48 PolarHBondContact O-N 3.15Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.79Å; F48-K51 PolarHBondContact O-N 2.8Å; F48-K51 VanDerWaalsContact O-N 3.15Å; F48-M52 WeakPolarHBondContact O-CG 3.29Å; F48-M52 PolarHBondContact O-N 2.93Å
49	A	74.8	Confident	73.4	Confident	61 Å²	61	105 Å²	105	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-58.4	-42.8	175.3	0	0	0	0	0	112.1	R45 M52 A53	R45-A49 WeakPolarHBondContact O-CB 3.45Å; R45-A49 PolarHBondContact O-N 3.39Å; A49-M52 PolarHBondContact O-N 3.04Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.38Å
50	T	82.5	Confident	74.4	Confident	76 Å²	76	106 Å²	106	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-37.5	176.1	-57.1	0	0	0	0	112.1	R46 V47 F48 K54	R46-T50 VanDerWaalsContact O-CB 3.27Å; R46-T50 WeakPolarHBondContact O-CB 3.42Å; R46-T50 PolarHBondContact O-N 2.94Å; R46-T50 PolarHBondContact O-OG1 2.66Å; V47-T50 PolarHBondContact O-N 3.28Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.79Å; T50-K54 WeakPolarHBondContact O-CB 3.25Å; T50-K54 WeakPolarHBondContact O-CG 3.37Å; T50-K54 PolarHBondContact O-N 2.84Å
51	K	79.6	Confident	75.5	Confident	124 Å²	124	105 Å²	105	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-43.6	177.3	-166.7	178	-178.9	-174.1	0	111.2	V47 F48 K54 I55	V47-K51 WeakPolarHBondContact O-CB 3.43Å; V47-K51 PolarHBondContact O-N 2.94Å; F48-K51 PolarHBondContact O-N 2.8Å; F48-K51 VanDerWaalsContact O-N 3.15Å; K51-K54 PolarHBondContact O-N 3.08Å; K51-I55 HydrophobicContact CG-CD1 4.43Å; K51-I55 WeakPolarHBondContact O-CG1 3Å; K51-I55 PolarHBondContact O-N 3.35Å
52	M	70.8	Confident	76.1	Confident	96 Å²	96	104.6 Å²	104.6	47%	0.473	51%	0.512	S	S	.	.	H	α-helix	trans	-64.8	-44	174.8	-67.9	-60.1	122.9	0	0	112.3	F48 A49 K54 I55 H56	F48-M52 WeakPolarHBondContact O-CG 3.29Å; F48-M52 PolarHBondContact O-N 2.93Å; A49-M52 PolarHBondContact O-N 3.04Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 2.86Å; M52-I55 HydrophobicContact CE-CD1 3.82Å; M52-I55 PolarHBondContact O-N 2.98Å; M52-I55 VanDerWaalsContact O-N 3.16Å; M52-I55 HydrophobicContact SD-CD1 4.35Å; M52-H56 PolarHBondContact O-N 2.84Å
53	A	76.4	Confident	76.2	Confident	60 Å²	60	106.4 Å²	106.4	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-39	174.9	0	0	0	0	0	112.4	A49 L57	A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.38Å; A53-L57 WeakPolarHBondContact O-CB 3.23Å; A53-L57 PolarHBondContact O-N 2.99Å
54	K	79.4	Confident	76.3	Confident	140 Å²	140	105.6 Å²	105.6	61%	0.609	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-39.4	173.4	-79.1	-179.3	177	-178.2	0	112.9	T50 K51 M52 L57 Q58	T50-K54 WeakPolarHBondContact O-CB 3.25Å; T50-K54 WeakPolarHBondContact O-CG 3.37Å; T50-K54 PolarHBondContact O-N 2.84Å; K51-K54 PolarHBondContact O-N 3.08Å; M52-K54 VanDerWaalsContact C-N 3.31Å; M52-K54 PolarHBondContact O-N 2.86Å; K54-L57 PolarHBondContact O-N 2.9Å; K54-Q58 VanDerWaalsContact O-CB 3.25Å; K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 2.95Å
55	I	79.5	Confident	75.7	Confident	79 Å²	79	109.4 Å²	109.4	41%	0.405	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-47.2	175.7	-69.6	162.6	0	0	0	110.4	K51 M52 L57 Q58 Q59	K51-I55 HydrophobicContact CG-CD1 4.43Å; K51-I55 WeakPolarHBondContact O-CG1 3Å; K51-I55 PolarHBondContact O-N 3.35Å; M52-I55 HydrophobicContact CE-CD1 3.82Å; M52-I55 PolarHBondContact O-N 2.98Å; M52-I55 VanDerWaalsContact O-N 3.16Å; M52-I55 HydrophobicContact SD-CD1 4.35Å; I55-L57 PolarHBondContact O-N 3.21Å; I55-Q58 PolarHBondContact O-N 3.28Å; I55-Q59 WeakPolarHBondContact O-CB 2.97Å; I55-Q59 PolarHBondContact O-N 2.85Å
56	H	73.4	Confident	75	Confident	131 Å²	131	110.3 Å²	110.3	61%	0.606	55%	0.546	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175	-90.7	-102.9	0	0	0	112.5	M52 Q59 Q60	M52-H56 PolarHBondContact O-N 2.84Å; H56-Q59 PolarHBondContact O-N 2.95Å; H56-Q60 WeakPolarHBondContact O-CB 3.26Å; H56-Q60 PolarHBondContact O-N 2.88Å
57	L	81.4	Confident	74.2	Confident	90 Å²	90	111.2 Å²	111.2	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-38.9	178.7	-176.1	62.6	0	0	0	112.2	A53 K54 I55 Q60 Q61	A53-L57 WeakPolarHBondContact O-CB 3.23Å; A53-L57 PolarHBondContact O-N 2.99Å; K54-L57 PolarHBondContact O-N 2.9Å; I55-L57 PolarHBondContact O-N 3.21Å; L57-Q60 PolarHBondContact O-N 2.83Å; L57-Q61 WeakPolarHBondContact O-CG 3.4Å; L57-Q61 PolarHBondContact O-N 3.21Å
58	Q	80.6	Confident	72.9	Confident	127 Å²	127	112.3 Å²	112.3	59%	0.593	56%	0.564	S	S	*	*	H	α-helix	trans	-66.5	-41.4	175.5	-176.4	173.1	-1.6	0	0	111.4	K54 I55 Q61 Q62	K54-Q58 VanDerWaalsContact O-CB 3.25Å; K54-Q58 WeakPolarHBondContact O-CB 3.3Å; K54-Q58 PolarHBondContact O-N 2.95Å; I55-Q58 PolarHBondContact O-N 3.28Å; Q58-Q61 PolarHBondContact O-N 3.44Å; Q58-Q62 WeakPolarHBondContact O-CB 3.39Å; Q58-Q62 PolarHBondContact O-N 2.93Å
59	Q	78.2	Confident	71.8	Confident	119 Å²	119	113.3 Å²	113.3	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-65.7	-38.5	175.5	-165.8	171.2	40.5	0	0	111.5	I55 H56 Q62 L63	I55-Q59 WeakPolarHBondContact O-CB 2.97Å; I55-Q59 PolarHBondContact O-N 2.85Å; H56-Q59 PolarHBondContact O-N 2.95Å; Q59-Q62 PolarHBondContact O-N 2.95Å; Q59-L63 WeakPolarHBondContact O-CG 3.32Å; Q59-L63 PolarHBondContact O-N 3.4Å
60	Q	78.4	Confident	70.4	Confident	117 Å²	117	116.1 Å²	116.1	55%	0.547	59%	0.587	S	S	.	*	H	α-helix	trans	-64.8	-41.2	173.1	-171.2	177.2	20	0	0	112.3	H56 L57 Q62 L63 L64	H56-Q60 WeakPolarHBondContact O-CB 3.26Å; H56-Q60 PolarHBondContact O-N 2.88Å; L57-Q60 PolarHBondContact O-N 2.83Å; Q60-Q62 VanDerWaalsContact C-N 3.34Å; Q60-L63 PolarHBondContact O-N 2.84Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.01Å
61	Q	77.4	Confident	68.8	Low	119 Å²	119	124.1 Å²	124.1	56%	0.556	61%	0.608	S	S	*	*	H	α-helix	trans	-65.4	-36.3	173.4	-76.3	-179.4	-10.3	0	0	112.3	L57 Q58 L64 Q65	L57-Q61 WeakPolarHBondContact O-CG 3.4Å; L57-Q61 PolarHBondContact O-N 3.21Å; Q58-Q61 PolarHBondContact O-N 3.44Å; Q61-L64 PolarHBondContact O-N 2.84Å; Q61-Q65 WeakPolarHBondContact O-CB 3.5Å; Q61-Q65 PolarHBondContact O-N 3.32Å
62	Q	74.1	Confident	66.7	Low	121 Å²	121	121.8 Å²	121.8	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-69.4	-38.9	177.6	-169.7	165.7	-8.6	0	0	112.1	Q58 Q59 Q60 Q65 E66	Q58-Q62 WeakPolarHBondContact O-CB 3.39Å; Q58-Q62 PolarHBondContact O-N 2.93Å; Q59-Q62 PolarHBondContact O-N 2.95Å; Q60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-Q65 PolarHBondContact O-N 2.89Å; Q62-E66 PolarHBondContact O-N 3.07Å
63	L	71.4	Confident	65.4	Low	111 Å²	111	122.8 Å²	122.8	58%	0.581	64%	0.636	S	S	*	*	H	α-helix	trans	-62	-45.4	171.4	-71.4	168.6	0	0	0	111.9	Q59 Q60 Q65 E66 E67	Q59-L63 WeakPolarHBondContact O-CG 3.32Å; Q59-L63 PolarHBondContact O-N 3.4Å; Q60-L63 PolarHBondContact O-N 2.84Å; L63-Q65 PolarHBondContact O-N 2.77Å; L63-E66 PolarHBondContact O-N 2.89Å; L63-E67 PolarHBondContact O-N 2.7Å; L63-E67 VanDerWaalsContact O-N 3.14Å
64	L	70.1	Confident	63.6	Low	105 Å²	105	131.8 Å²	131.8	55%	0.55	66%	0.657	S	S	.	*	H	α-helix	trans	-61.5	-31.9	174.4	-76.4	165.9	0	0	0	112.7	Q60 Q61 T68	Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.01Å; Q61-L64 PolarHBondContact O-N 2.84Å; L64-T68 WeakPolarHBondContact O-CG2 3.27Å
65	Q	63.7	Low	61.4	Low	140 Å²	140	128.6 Å²	128.6	65%	0.654	66%	0.663	S	S	*	*	H	α-helix	trans	-75.9	-37.3	176.7	-169	161.3	55	0	0	112	Q61 Q62 L63 E67 T68	Q61-Q65 WeakPolarHBondContact O-CB 3.5Å; Q61-Q65 PolarHBondContact O-N 3.32Å; Q62-Q65 PolarHBondContact O-N 2.89Å; L63-Q65 PolarHBondContact O-N 2.77Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å; Q65-T68 PolarHBondContact O-N 3.09Å; Q65-T68 PolarHBondContact O-OG1 3.12Å
66	E	62.4	Low	60.3	Low	146 Å²	146	130.6 Å²	130.6	68%	0.682	68%	0.682	S	S	*	*	H	α-helix	trans	-63.7	-36.2	175.6	-164.6	172.8	127.5	0	0	112.2	Q62 L63 T68	Q62-E66 PolarHBondContact O-N 3.07Å; L63-E66 PolarHBondContact O-N 2.89Å; E66-T68 PolarHBondContact O-N 3.26Å
67	E	56	Low	58.4	Low	169 Å²	169	130.5 Å²	130.5	79%	0.79	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	176.4	-157.1	-178.8	133.1	0	0	113.5	L63 Q65	L63-E67 PolarHBondContact O-N 2.7Å; L63-E67 VanDerWaalsContact O-N 3.14Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å
68	T	51.3	Low	56.1	Low	108 Å²	108	133.9 Å²	133.9	66%	0.663	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	1.5	-174.8	60.9	0	0	0	0	115.8	L64 Q65 E66	L64-T68 WeakPolarHBondContact O-CG2 3.27Å; Q65-T68 PolarHBondContact O-N 3.09Å; Q65-T68 PolarHBondContact O-OG1 3.12Å; E66-T68 PolarHBondContact O-N 3.26Å
69	L	46.7	Very low	53.8	Low	140 Å²	140	131.9 Å²	131.9	73%	0.733	72%	0.722	S	S	*	*	S	Bend	trans	-97.8	123	178.2	-87.4	161.3	0	0	0	112.3	R71	L69-R71 PolarHBondContact O-N 3.47Å
70	P	46.2	Very low	51.6	Low	121 Å²	121	130.4 Å²	130.4	79%	0.786	74%	0.739	S	S	*	*			trans	-71.4	119.2	-172.2	27.3	-34.2	0	0	0	112.7	G72	P70-G72 PolarHBondContact O-N 3.34Å
71	R	47.1	Very low	49.3	Very low	243 Å²	243	128.4 Å²	128.4	92%	0.917	75%	0.75	S	S	*	*			trans	-71.7	97.5	-178.3	-166.7	174.7	-168.5	-118.3	4.3	112.2	L69	L69-R71 PolarHBondContact O-N 3.47Å
72	G	36.5	Very low	47.3	Very low	75 Å²	75	133 Å²	133	77%	0.773	76%	0.762	S	S	*	*			trans	-57.6	137.7	178.6	0	0	0	0	0	114.3	P70	P70-G72 PolarHBondContact O-N 3.34Å
73	S	43.5	Very low	45.3	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	77%	0.773	S	S	*	*			trans	-78.3	140.8	-165.5	-46.2	0	0	0	0	115.7
74	R	38.9	Very low	43.2	Very low	250 Å²	250	132.8 Å²	132.8	94%	0.943	78%	0.782	S	S	*	*			trans	-156.2	153.7	130.8	-110.9	165.9	-168	-92.9	-2.2	111.8
75	G	32.8	Very low	42.3	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	79%	0.794	S	S	*	*			trans	-90.6	-178.6	-164.2	0	0	0	0	0	116.3
76	P	56.4	Low	40.6	Very low	121 Å²	121	134.9 Å²	134.9	79%	0.786	80%	0.8	S	S	*	*			trans	-96.9	159.4	-168.8	38	-36	0	0	0	114.3
77	V	34.3	Very low	39	Very low	130 Å²	130	133.9 Å²	133.9	79%	0.788	80%	0.804	S	S	*	*				-166.3	139.3	126.6	-97.4	0	0	0	0	112.1
78	N	33.2	Very low	37.6	Very low	160 Å²	160	134.9 Å²	134.9	86%	0.856	80%	0.801	S	S	*	*			trans	36.1	128.2	146.3	-59	-24.7	0	0	0	121.9
79	G	31	Very low	36.5	Very low	86 Å²	86	138.2 Å²	138.2	89%	0.887	80%	0.801	S	S	*	*			trans	-179.3	56.2	168.6	0	0	0	0	0	115.3
80	G	31.6	Very low	35.6	Very low	87 Å²	87	137.2 Å²	137.2	90%	0.897	79%	0.793	S	S	*	*			trans	-99	135.2	176	0	0	0	0	0	112.9
81	G	31.6	Very low	34.7	Very low	75 Å²	75	137.6 Å²	137.6	77%	0.773	79%	0.792	S	S	*	*			trans	171.9	89.8	176.1	0	0	0	0	0	117.6
82	R	33.9	Very low	33.8	Very low	215 Å²	215	128.9 Å²	128.9	81%	0.811	78%	0.778	S	S	*	*			trans	30.9	133.6	144.8	-75.9	-172.9	172.9	-79.8	0.2	122.4
83	L	32.1	Very low	33.5	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	78%	0.784	S	S	*	*			trans	58.5	130.8	133.3	-59.3	174.1	0	0	0	120.5
84	G	28.9	Very low	32.7	Very low	75 Å²	75	129.5 Å²	129.5	77%	0.773	77%	0.773	S	S	*	*			trans	153.4	137.4	156.8	0	0	0	0	0	114.1
85	P	50.4	Low	32.4	Very low	124 Å²	124	123.4 Å²	123.4	81%	0.805	77%	0.769	S	S	*	*			trans	-118.6	-178.2	-172.8	42.9	-33.8	0	0	0	115.3
86	Q	28.7	Very low	32.4	Very low	165 Å²	165	128.3 Å²	128.3	77%	0.771	77%	0.77	S	S	*	*			trans	85.8	151.7	153.6	-86.9	-76.5	18.4	0	0	120.8
87	T	28	Very low	31.1	Very low	126 Å²	126	129.3 Å²	129.3	77%	0.773	77%	0.768	S	S	*	*			trans	72.9	157	169.9	70.5	0	0	0	0	120.2
88	R	26.9	Very low	30.9	Very low	190 Å²	190	129.3 Å²	129.3	72%	0.717	77%	0.768	S	S	*	*			cis	-179.6	118.3	-42.5	171.3	-177.9	176.8	-83.2	4.6	109.9
89	R	28.6	Very low	30.7	Very low	177 Å²	177	127.4 Å²	127.4	67%	0.668	76%	0.762	S	S	*	*			trans	63	167.1	163.2	-74.4	179	141.5	-137.6	-1.3	115
90	E	27.9	Very low	30.6	Very low	120 Å²	120	131.1 Å²	131.1	56%	0.561	76%	0.762	S	S	*	*			cis	-154.3	176	-6.9	-126.8	164.7	149.2	0	0	112.1
91	V	26.8	Very low	30.4	Very low	129 Å²	129	130 Å²	130	78%	0.782	75%	0.749	S	S	*	*			trans	12.7	135.3	147.3	172.1	0	0	0	0	118.2
92	G	28.1	Very low	30.4	Very low	59 Å²	59	131.9 Å²	131.9	61%	0.608	76%	0.758	S	S	*	*			cis	140	171.7	9.2	0	0	0	0	0	111.2
93	V	30.8	Very low	30.1	Very low	148 Å²	148	126.1 Å²	126.1	90%	0.897	76%	0.756	S	S	*	*			trans	67.1	139.1	177.5	-167.3	0	0	0	0	115.1
94	G	26.5	Very low	30.1	Very low	58 Å²	58	128 Å²	128	60%	0.598	76%	0.758	S	S	*	*			cis	145.2	147.1	-8.2	0	0	0	0	0	113.3
95	S	32.5	Very low	30.8	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	76%	0.759	S	S	*	*			trans	76.5	158.4	177.6	-37.6	0	0	0	0	115.5
96	K	31.4	Very low	31.2	Very low	175 Å²	175	129.1 Å²	129.1	76%	0.761	75%	0.751	S	S	*	*			cis	-161.7	156.5	5.3	-145.7	-167.3	171.7	-176.7	0	111.9
97	L	30.6	Very low	31.2	Very low	141 Å²	141	129.4 Å²	129.4	74%	0.738	76%	0.758	S	S	*	*			trans	66.2	159	160.6	-65.9	168.9	0	0	0	117.3
98	T	28.5	Very low	31.4	Very low	131 Å²	131	127.7 Å²	127.7	80%	0.804	76%	0.756	S	S	*	*			cis	-119.2	172.3	4.5	45.6	0	0	0	0	113.8
99	V	29.8	Very low	31.5	Very low	120 Å²	120	123 Å²	123	73%	0.727	76%	0.758	S	S	*	*			trans	-96.3	141.4	175.4	159.3	0	0	0	0	111.2
100	D	29.3	Very low	31.8	Very low	164 Å²	164	120 Å²	120	88%	0.877	76%	0.764	S	S	*	*			trans	168.3	149.5	137.2	-91	-36.5	0	0	0	109.4
101	G	28	Very low	32	Very low	62 Å²	62	120.9 Å²	120.9	64%	0.639	78%	0.778	S	S	*	*			cis	174.8	148.8	-7.5	0	0	0	0	0	112.3
102	A	29.8	Very low	32.1	Very low	115 Å²	115	118.4 Å²	118.4	95%	0.95	78%	0.779	S	S	*	*			trans	60.4	158.9	166.9	0	0	0	0	0	120.3
103	A	27.5	Very low	32.3	Very low	94 Å²	94	120.2 Å²	120.2	78%	0.777	79%	0.788	S	S	*	*			trans	-119.5	-178.9	-172.6	0	0	0	0	0	113.3
104	K	33.9	Very low	33.4	Very low	194 Å²	194	119.6 Å²	119.6	84%	0.843	79%	0.787	S	S	*	*			trans	-7.7	154.8	141	-85.4	-178.9	174.5	179.3	0	116.1
105	P	43.7	Very low	33.6	Very low	120 Å²	120	120.3 Å²	120.3	78%	0.779	79%	0.794	S	S	*	*			cis	-145.7	-119.3	49.9	30.9	-1.7	0	0	0	117.3
106	P	57.5	Low	33.7	Very low	101 Å²	101	118.8 Å²	118.8	66%	0.656	79%	0.789	S	S	*	*				-140.6	-171.3	-117.1	47.1	-27.2	0	0	0	117.1
107	L	29.9	Very low	33.7	Very low	172 Å²	172	116.8 Å²	116.8	90%	0.901	79%	0.791	S	S	*	*			trans	-142	155.9	143.5	-76.7	-178.7	0	0	0	108.7
108	A	30.6	Very low	34	Very low	90 Å²	90	115.4 Å²	115.4	74%	0.744	79%	0.789	S	S	*	*			cis	-116.6	-124.7	-8.9	0	0	0	0	0	110
109	A	30.3	Very low	34.2	Very low	91 Å²	91	113.8 Å²	113.8	75%	0.752	78%	0.779	S	S	*	*			cis	-152.4	-175.8	3	0	0	0	0	0	110.7
110	S	35.1	Very low	34.2	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	79%	0.786	S	S	*	*			trans	-144.6	159	-162.2	-57.1	0	0	0	0	112.5
111	T	32.1	Very low	34.2	Very low	137 Å²	137	114.5 Å²	114.5	84%	0.84	78%	0.784	S	S	*	*			cis	-170.3	148.1	-18.1	-88.1	0	0	0	0	108.5
112	G	29.2	Very low	34.2	Very low	78 Å²	78	116.7 Å²	116.7	80%	0.804	80%	0.796	S	S	*	*			trans	-169.6	126.8	168.7	0	0	0	0	0	113.2
113	A	31.9	Very low	34	Very low	96 Å²	96	115 Å²	115	79%	0.793	79%	0.79	S	S	*	*			trans	-156.4	179.5	-173.2	0	0	0	0	0	109.2
114	P	53	Low	34.1	Very low	135 Å²	135	119.5 Å²	119.5	88%	0.877	79%	0.794	S	S	*	*			cis	-114.9	-170.3	-4.1	42.5	-29	0	0	0	111.5
115	G	30.9	Very low	34.5	Very low	73 Å²	73	115.3 Å²	115.3	75%	0.753	79%	0.787	S	S	*	*			cis	171	177.9	2.8	0	0	0	0	0	108.1
116	A	35.2	Very low	34.5	Very low	91 Å²	91	114.1 Å²	114.1	75%	0.752	78%	0.779	S	S	*	*			cis	-165.7	162	-2.7	0	0	0	0	0	110.5
117	V	31.9	Very low	32.8	Very low	132 Å²	132	120 Å²	120	80%	0.8	79%	0.79	S	S	*	*			trans	66	133.6	148.8	165.6	0	0	0	0	118.2
118	T	34.9	Very low	33.5	Very low	113 Å²	113	117.1 Å²	117.1	69%	0.693	78%	0.782	S	S	*	*			cis	-171.6	165.5	-8.4	29.9	0	0	0	0	108
119	T	32.9	Very low	33.9	Very low	97 Å²	97	118.1 Å²	118.1	60%	0.595	78%	0.781	S	S	*	*			cis	-173.3	160.2	-42.1	25.2	0	0	0	0	108.1
120	F	31.5	Very low	33.8	Very low	198 Å²	198	121.7 Å²	121.7	87%	0.868	78%	0.781	S	S	*	*			trans	74.2	157.1	172.3	-43.6	-63.2	0	0	0	116.4
121	A	28	Very low	33.4	Very low	101 Å²	101	123 Å²	123	84%	0.835	78%	0.775	S	S	*	*			cis	-138.3	-179	3.5	0	0	0	0	0	112.1
122	A	27.8	Very low	33.1	Very low	108 Å²	108	122.5 Å²	122.5	89%	0.893	76%	0.763	S	S	*	*			trans	-127.9	155.1	-178.3	0	0	0	0	0	112.9
123	G	27	Very low	33	Very low	80 Å²	80	129 Å²	129	83%	0.825	76%	0.763	S	S	*	*			trans	172.8	123.9	173.5	0	0	0	0	0	115
124	Q	28.5	Very low	32.7	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	76%	0.761	S	S	*	*			trans	-93.1	-166.4	179.7	-75.7	-158.1	-42.5	0	0	112.8
125	P	42.6	Very low	31.6	Very low	106 Å²	106	133.5 Å²	133.5	69%	0.688	76%	0.758	S	S	*	*				-130.4	-136.7	-62.2	40.1	-21.4	0	0	0	109.9
126	P	42.8	Very low	31.8	Very low	95 Å²	95	135.9 Å²	135.9	62%	0.617	76%	0.761	S	S	*	*				-121.5	-179.5	-51	31.3	-12.5	0	0	0	115.2
127	Y	23.4	Very low	31.3	Very low	226 Å²	226	141 Å²	141	89%	0.886	76%	0.762	S	S	*	*			trans	78.9	158.8	161.5	-69.6	-60.2	0	0	0	120.4
128	P	44	Very low	31.2	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	76%	0.759	S	S	*	*			trans	-126.5	-146.1	-158.3	39.2	-15.3	0	0	0	111.8
129	P	39.4	Very low	30.8	Very low	111 Å²	111	145 Å²	145	72%	0.721	77%	0.767	S	S	*	*			cis	-142.8	-176	-5.9	44.4	-24.6	0	0	0	119
130	Q	26.6	Very low	30.3	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	77%	0.773	S	S	*	*			trans	73.5	142.5	150.3	-138.1	-170	-51.6	0	0	122.7
131	E	27.7	Very low	30.1	Very low	143 Å²	143	140.3 Å²	140.3	67%	0.668	77%	0.769	S	S	*	*			trans	70	163	165.9	-53.2	-140.2	140.7	0	0	118.5
132	Q	26.7	Very low	30.2	Very low	127 Å²	127	146.1 Å²	146.1	59%	0.593	77%	0.769	S	S	*	*			cis	-158.2	157.7	11.7	-153.2	174.7	88.5	0	0	114
133	R	27.4	Very low	30.2	Very low	213 Å²	213	149.9 Å²	149.9	80%	0.804	77%	0.768	S	S	*	*			trans	69.2	160.8	151.9	-108.1	177.1	174.4	123.9	-8.1	118.5
134	S	24.9	Very low	30	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	76%	0.755	S	S	*	*			cis	-147.5	169.8	10	-78	0	0	0	0	114.4
135	R	28.8	Very low	30.2	Very low	220 Å²	220	145.1 Å²	145.1	83%	0.83	75%	0.751	S	S	*	*			trans	-88.8	169.8	178.8	-135	177.8	-165.7	167.3	2.4	112.9
136	P	35.2	Very low	29.6	Very low	124 Å²	124	149 Å²	149	81%	0.805	76%	0.76	S	S	*	*				-148.4	-173.3	88.1	39.3	-20.6	0	0	0	115.9
137	Y	24.5	Very low	29.4	Very low	198 Å²	198	151.5 Å²	151.5	78%	0.776	77%	0.768	S	S	*	*			trans	-152.9	155	-174.8	-128.2	-93.8	0	0	0	112.6
138	L	30.3	Very low	29.5	Very low	139 Å²	139	147 Å²	147	73%	0.728	77%	0.769	S	S	*	*			trans	2.4	133.7	169	-70.7	169.7	0	0	0	123
139	H	27.3	Very low	28.6	Very low	189 Å²	189	145.1 Å²	145.1	88%	0.875	77%	0.769	S	S	*	*				179.8	154.3	107.4	-115.5	-85.1	0	0	0	114.4
140	G	23	Very low	28.2	Very low	69 Å²	69	145.8 Å²	145.8	71%	0.711	78%	0.776	S	S	*	*			trans	155.3	147.5	167.7	0	0	0	0	0	114.9
141	T	27.2	Very low	28.5	Very low	128 Å²	128	147.5 Å²	147.5	79%	0.785	78%	0.776	S	S	*	*			trans	-149.3	143.8	-163.2	-23.6	0	0	0	0	117.7
142	R	29	Very low	28.5	Very low	224 Å²	224	147.9 Å²	147.9	85%	0.845	78%	0.777	S	S	*	*			trans	78.4	115.1	145.7	-160.2	-171.6	-70.9	-104.7	7.7	121.5
143	H	27.1	Very low	28.5	Very low	186 Å²	186	147.2 Å²	147.2	86%	0.861	79%	0.787	S	S	*	*			trans	-167.1	156.7	130.6	-126.6	-95.9	0	0	0	110.8
144	G	24.7	Very low	29.8	Very low	53 Å²	53	143 Å²	143	55%	0.546	79%	0.787	S	S	.	*			cis	158.4	98.9	-21.8	0	0	0	0	0	117.1
145	S	31.7	Very low	30	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	79%	0.787	S	S	*	*			trans	82.1	123.3	144.8	-147.3	0	0	0	0	122.9
146	Q	29.3	Very low	29.8	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	79%	0.791	S	S	*	*			trans	-158.7	147.2	134.4	-140.4	167.1	17.7	0	0	111.7
147	D	38.4	Very low	29.5	Very low	147 Å²	147	137 Å²	137	79%	0.786	78%	0.781	S	S	*	*			trans	-83.7	178.8	-171.7	-50.1	-100.8	0	0	0	113.5
148	C	27.1	Very low	29.9	Very low	132 Å²	132	136.1 Å²	136.1	89%	0.892	78%	0.784	S	S	*	*			cis	-153.5	-177.3	15.3	57.7	0	0	0	0	109.1
149	G	23.8	Very low	29.8	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	79%	0.79	S	S	*	*			cis	-172.2	-171.7	7.3	0	0	0	0	0	110.3
150	S	31.6	Very low	30	Very low	124 Å²	124	133.7 Å²	133.7	87%	0.867	78%	0.783	S	S	*	*			trans	-97	160.3	-163.2	-48.5	0	0	0	0	116.9
151	R	33.7	Very low	30.5	Very low	202 Å²	202	134.7 Å²	134.7	76%	0.762	79%	0.785	S	S	*	*				139.2	139.5	116.1	-124.6	-171.4	-170.2	-105.7	-2.4	117.4
152	E	26.7	Very low	30.6	Very low	150 Å²	150	136 Å²	136	70%	0.701	79%	0.786	S	S	*	*			trans	85.6	164.6	152.9	-26.5	-113.2	53.2	0	0	120.5
153	S	27.7	Very low	30.5	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	78%	0.781	S	S	*	*			trans	-152.7	-169.1	-167.6	-48.7	0	0	0	0	109.8
154	P	52.9	Low	30.5	Very low	123 Å²	123	132.2 Å²	132.2	80%	0.799	78%	0.778	S	S	*	*			cis	-141.3	-162.2	-1	44.3	-23.8	0	0	0	116.3
155	A	29.6	Very low	31.6	Very low	91 Å²	91	135.5 Å²	135.5	75%	0.752	79%	0.79	S	S	*	*			trans	76.6	170.2	164.7	0	0	0	0	0	118.1
156	T	25.7	Very low	31.3	Very low	147 Å²	147	133.5 Å²	133.5	90%	0.902	79%	0.788	S	S	*	*			cis	-143.8	-145	11.7	-33.3	0	0	0	0	113.1
157	S	28.9	Very low	32.3	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	79%	0.787	S	S	*	*			trans	-148.1	153.8	-164.3	-153.8	0	0	0	0	116.5
158	E	32.4	Very low	31.7	Very low	179 Å²	179	130 Å²	130	84%	0.836	79%	0.791	S	S	*	*			trans	55.3	140.9	144.6	-75.7	169.3	112.1	0	0	129.1
159	M	28.1	Very low	31.9	Very low	173 Å²	173	133.4 Å²	133.4	85%	0.852	79%	0.794	S	S	*	*			trans	107.7	126.1	135.7	116.7	146.6	-177.9	0	0	127.3
160	S	31.9	Very low	32.3	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	80%	0.799	S	S	*	*			trans	51.8	142.4	131.2	-51.6	0	0	0	0	128.9
161	A	32.5	Very low	32.9	Very low	91 Å²	91	136.4 Å²	136.4	75%	0.752	79%	0.789	S	S	*	*				122.3	116.9	124.2	0	0	0	0	0	125.9
162	L	29.2	Very low	32.8	Very low	155 Å²	155	132.2 Å²	132.2	81%	0.812	79%	0.791	S	S	*	*			trans	79.5	125.7	131.3	-53.4	167.1	0	0	0	129.7
163	H	28	Very low	32.9	Very low	159 Å²	159	130.6 Å²	130.6	74%	0.736	79%	0.794	S	S	*	*			trans	65.4	127.6	132.2	-76.4	-55.7	0	0	0	132.9
164	Q	26.9	Very low	33.1	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	80%	0.796	S	S	*	*			trans	61.2	172.1	133.8	-95.6	-170.3	-4.9	0	0	125.4
165	P	46.8	Very low	32.2	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	80%	0.802	S	S	*	*			cis	-135.1	-166.9	-25.7	37.8	-16.3	0	0	0	116.3
166	G	25.4	Very low	32.2	Very low	74 Å²	74	139.3 Å²	139.3	76%	0.763	81%	0.811	S	S	*	*			trans	-165.4	-179.3	179.5	0	0	0	0	0	120.7
167	P	50.9	Low	32.4	Very low	133 Å²	133	135.6 Å²	135.6	86%	0.864	80%	0.801	S	S	*	*			trans	-129.5	-162	-161.7	43.4	-26.6	0	0	0	119.3
168	C	26.5	Very low	32.4	Very low	128 Å²	128	139.1 Å²	139.1	87%	0.865	81%	0.814	S	S	*	*			trans	-148.5	161.3	-168.2	-50.3	0	0	0	0	118
169	E	31.6	Very low	32.2	Very low	203 Å²	203	140.8 Å²	140.8	95%	0.949	81%	0.814	S	S	*	*			trans	-176.8	157	136.9	-78.8	-140.1	132.4	0	0	110.7
170	D	32.5	Very low	32.3	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	80%	0.803	S	S	*	*			trans	-167.6	-175	-175.5	-151.8	28.4	0	0	0	110
171	P	43.9	Very low	32.2	Very low	100 Å²	100	138.9 Å²	138.9	65%	0.649	79%	0.788	S	S	*	*			cis	-136.3	-178.6	-8.1	45.5	-28.7	0	0	0	117.1
172	S	30	Very low	32.1	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	78%	0.775	S	S	*	*			trans	-165.8	117.6	154.9	-85.2	0	0	0	0	117.8
173	C	30.6	Very low	32.1	Very low	115 Å²	115	138.4 Å²	138.4	78%	0.777	77%	0.773	S	S	*	*			trans	47.2	115.7	154.3	61.3	0	0	0	0	126.4
174	L	31.7	Very low	32.1	Very low	159 Å²	159	135.4 Å²	135.4	83%	0.832	77%	0.77	S	S	*	*			trans	70.5	113.6	131.3	-63.9	172.3	0	0	0	123.9
175	T	33.8	Very low	32.2	Very low	153 Å²	153	134.9 Å²	134.9	94%	0.939	77%	0.772	S	S	*	*				177.2	-177.6	109.6	30.6	0	0	0	0	113.3
176	H	29.5	Very low	31.1	Very low	199 Å²	199	133.5 Å²	133.5	92%	0.921	77%	0.77	S	S	*	*			trans	-84.7	151.1	-163.4	-116.6	-111	0	0	0	116
177	G	29.7	Very low	31.5	Very low	69 Å²	69	135.3 Å²	135.3	71%	0.711	77%	0.771	S	S	*	*			trans	157.9	92.2	159.4	0	0	0	0	0	119.3
178	D	28.2	Very low	30.9	Very low	161 Å²	161	134.8 Å²	134.8	86%	0.861	77%	0.768	S	S	*	*			trans	41.2	119.7	146.5	-54.5	-24.4	0	0	0	125.2
179	Y	29.6	Very low	30.9	Very low	215 Å²	215	136.2 Å²	136.2	84%	0.843	76%	0.76	S	S	*	*			trans	76.3	100.3	134.3	-142.4	-90	0	0	0	122.7
180	Y	28.5	Very low	30.7	Very low	159 Å²	159	137.4 Å²	137.4	62%	0.624	76%	0.756	S	S	*	*			trans	28.9	141.5	142.9	-71.1	-75.7	0	0	0	122	P370	Y180-P370 HydrophobicContact CE1-CB 4.34Å
181	D	29.8	Very low	30.4	Very low	77 Å²	77	133.3 Å²	133.3	41%	0.412	75%	0.751	S	S	.	*			cis	-162.9	146.9	28.7	-127.2	-44.8	0	0	0	114.2	P372	D181-P372 VanDerWaalsContact CG-CD 3.49Å; D181-P372 WeakPolarHBondContact OD2-CD 3.25Å; D181-P372 WeakPolarHBondContact OD2-CG 3.46Å
182	N	31.5	Very low	29.6	Very low	89 Å²	89	134.9 Å²	134.9	48%	0.476	75%	0.754	S	S	.	*			trans	52.5	149.1	159.4	-64.9	-51.8	0	0	0	121.2	P372	N182-P372 PolarHBondContact ND2-O 3.41Å
183	L	29.5	Very low	29.6	Very low	147 Å²	147	137.3 Å²	137.3	77%	0.77	75%	0.75	S	S	*	*			cis	-167.8	166	41.6	-134.6	140	0	0	0	112.2
184	S	28	Very low	29.7	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	76%	0.755	S	S	*	*			trans	74.4	152.9	162.6	-66.3	0	0	0	0	118.4
185	L	27.7	Very low	29.4	Very low	160 Å²	160	134.2 Å²	134.2	84%	0.838	75%	0.752	S	S	*	*			cis	-158.9	169.9	-0.4	-124.8	171.2	0	0	0	113
186	A	24.7	Very low	29.1	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	75%	0.746	S	S	*	*			trans	82.9	147	154	0	0	0	0	0	121.7
187	S	33	Very low	29	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	74%	0.739	S	S	*	*			trans	-125.7	171	177.7	-43.8	0	0	0	0	110.5
188	P	37.9	Very low	29.6	Very low	123 Å²	123	135.3 Å²	135.3	80%	0.799	75%	0.746	S	S	*	*				-134.6	151.6	96.7	16.1	6.2	0	0	0	112.6
189	K	28.2	Very low	29.7	Very low	158 Å²	158	132.3 Å²	132.3	69%	0.687	74%	0.738	S	S	*	*				58.1	134.4	67.8	-82.6	-149.9	174.9	-166.8	0	114.6
190	W	27.1	Very low	29.7	Very low	227 Å²	227	130.6 Å²	130.6	86%	0.86	74%	0.741	S	S	*	*			cis	-170.7	164.8	-10	-126.8	16.4	0	0	0	110.7
191	G	25.2	Very low	29.7	Very low	73 Å²	73	126.1 Å²	126.1	75%	0.753	74%	0.743	S	S	*	*			trans	92.7	160.4	167.1	0	0	0	0	0	116.2
192	D	26.4	Very low	29.6	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	77%	0.769	S	S	*	*			cis	-155.6	-177.1	-14.1	-150.9	-26.7	0	0	0	110.4
193	K	30.4	Very low	29.4	Very low	165 Å²	165	132.3 Å²	132.3	72%	0.717	78%	0.784	S	S	*	*			trans	-43.2	145.9	-169	-63.1	154	-153.6	75.8	0	117.5
194	P	32.5	Very low	29.4	Very low	136 Å²	136	132.6 Å²	132.6	88%	0.883	79%	0.792	S	S	*	*			trans	-80.8	153.6	167.8	34.8	-35	0	0	0	113
195	G	26.5	Very low	29.4	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	80%	0.795	S	S	*	*			trans	-145	121.4	176.6	0	0	0	0	0	114.1
196	V	27.3	Very low	29.7	Very low	135 Å²	135	130.2 Å²	130.2	82%	0.818	80%	0.8	S	S	*	*			trans	23.3	117.9	152.8	-173.5	0	0	0	0	120.1
197	F	28.3	Very low	29.7	Very low	175 Å²	175	129.3 Å²	129.3	77%	0.768	80%	0.8	S	S	*	*			trans	13	148.7	140.2	-61.3	-78.4	0	0	0	121.7
198	P	41.7	Very low	29.5	Very low	133 Å²	133	136.2 Å²	136.2	86%	0.864	81%	0.809	S	S	*	*				-129.8	167.9	95.3	38.3	-32.3	0	0	0	115.1
199	S	29.7	Very low	29.6	Very low	99 Å²	99	136 Å²	136	69%	0.692	81%	0.807	S	S	*	*			trans	-108.9	160.9	-172.2	-46.5	0	0	0	0	113.6
200	I	29.5	Very low	29.5	Very low	178 Å²	178	133.7 Å²	133.7	91%	0.913	81%	0.811	S	S	*	*			trans	-128.8	144.2	154.6	-60.5	179.3	0	0	0	107.2
201	G	27.8	Very low	29.6	Very low	65 Å²	65	128.1 Å²	128.1	67%	0.67	81%	0.807	S	S	*	*			trans	-149.8	177.4	-180	0	0	0	0	0	113.1
202	L	29	Very low	29.7	Very low	182 Å²	182	133 Å²	133	95%	0.953	82%	0.815	S	S	*	*			trans	-132.9	151.5	172.5	-79.9	169.9	0	0	0	109.7
203	S	26.6	Very low	29.6	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	81%	0.812	S	S	*	*			trans	-118.7	159.1	-168.3	-49.8	0	0	0	0	112.7
204	V	30.2	Very low	29.6	Very low	153 Å²	153	127.8 Å²	127.8	93%	0.927	82%	0.82	S	S	*	*				168.5	140.4	129.2	151.7	0	0	0	0	109.7
205	G	26.9	Very low	29.3	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	82%	0.819	S	S	*	*			trans	137.1	120.2	168.7	0	0	0	0	0	113.3
206	S	33.6	Very low	30.7	Very low	134 Å²	134	130.6 Å²	130.6	94%	0.937	82%	0.816	S	S	*	*			trans	-124.2	140.1	-170.9	-49.4	0	0	0	0	112.4
207	G	25.6	Very low	31.5	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	82%	0.817	S	S	*	*			trans	-178.2	128.4	171.6	0	0	0	0	0	113.8
208	W	28	Very low	31.5	Very low	258 Å²	258	129.8 Å²	129.8	98%	0.977	82%	0.822	S	S	*	*			trans	-119	169.5	174.2	-79	5.7	0	0	0	108.3
209	P	40.7	Very low	31.6	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	81%	0.811	S	S	*	*			cis	-136.4	-170.4	17	43.1	-24.5	0	0	0	116.2
210	S	26.3	Very low	31.6	Very low	110 Å²	110	133 Å²	133	77%	0.769	82%	0.819	S	S	*	*			trans	-65.5	176.7	170.4	-24.1	0	0	0	0	113.4
211	S	29.2	Very low	32.2	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	81%	0.813	S	S	*	*			cis	-167.1	163.4	11.3	34.8	0	0	0	0	111.8
212	L	26.7	Very low	32	Very low	175 Å²	175	133.7 Å²	133.7	92%	0.916	83%	0.826	S	S	*	*				140.8	132.6	124.1	-169.7	65.2	0	0	0	115.5
213	G	25.7	Very low	31.9	Very low	65 Å²	65	127.9 Å²	127.9	67%	0.67	81%	0.809	S	S	*	*			trans	91.9	137.9	167.9	0	0	0	0	0	115.3
214	S	28.7	Very low	31.9	Very low	126 Å²	126	130.7 Å²	130.7	88%	0.881	82%	0.816	S	S	*	*			cis	-155.1	155.9	-0.7	-64.1	0	0	0	0	111.3
215	D	27.9	Very low	31.9	Very low	159 Å²	159	132.1 Å²	132.1	85%	0.85	81%	0.812	S	S	*	*			trans	-93.3	161.2	-177.2	-86.9	-60.7	0	0	0	115.3
216	P	55.4	Low	32.4	Very low	108 Å²	108	133.8 Å²	133.8	70%	0.701	81%	0.809	S	S	*	*			trans	-93.4	178.4	179.6	40	-37.7	0	0	0	113.7
217	P	43.3	Very low	32	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	80%	0.802	S	S	*	*				-152.9	-168.9	101.7	40.6	-21.2	0	0	0	117.7
218	L	29.8	Very low	31.9	Very low	164 Å²	164	137.6 Å²	137.6	86%	0.859	80%	0.801	S	S	*	*			trans	-90.6	-155.4	-166.7	-68.2	154.9	0	0	0	114.2
219	P	43.1	Very low	31.7	Very low	99 Å²	99	133.7 Å²	133.7	64%	0.643	79%	0.794	S	S	*	*				-139.8	166.3	-73.6	41.7	-25.8	0	0	0	117.6
220	K	30.1	Very low	30.9	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	80%	0.798	S	S	*	*			trans	58.9	178.6	145	-77.4	179.3	178.9	-178.9	0	119.4
221	P	41.8	Very low	30.8	Very low	121 Å²	121	142.7 Å²	142.7	79%	0.786	80%	0.804	S	S	*	*				-127	-179.7	-50.1	38.7	-24.4	0	0	0	112.7
222	C	23.4	Very low	30.6	Very low	138 Å²	138	143.8 Å²	143.8	93%	0.932	80%	0.801	S	S	*	*			trans	-160.3	168.6	157.9	-152.2	0	0	0	0	112.3
223	G	27.2	Very low	30.6	Very low	59 Å²	59	140.7 Å²	140.7	61%	0.608	79%	0.794	S	S	*	*			trans	-164.6	177.5	178	0	0	0	0	0	114.8
224	D	27.1	Very low	30.5	Very low	174 Å²	174	145.9 Å²	145.9	93%	0.93	81%	0.805	S	S	*	*			trans	76.9	154.8	173.1	-65.2	-50.5	0	0	0	121.2
225	H	28.9	Very low	30.2	Very low	182 Å²	182	144.6 Å²	144.6	84%	0.843	80%	0.796	S	S	*	*			trans	-105.2	177.3	-163.1	-102.7	-57.5	0	0	0	111.2
226	P	38.8	Very low	30	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	79%	0.793	S	S	*	*			cis	-155.6	-163.5	44.3	34.5	-6.3	0	0	0	118.4
227	L	24.6	Very low	28.6	Very low	149 Å²	149	141.6 Å²	141.6	78%	0.78	79%	0.79	S	S	*	*			trans	99.9	100.1	155.8	-62.1	178.2	0	0	0	122.1
228	N	23	Very low	27.8	Very low	139 Å²	139	146.8 Å²	146.8	74%	0.743	79%	0.793	S	S	*	*				67.8	116.7	119.8	-105.9	-6.8	0	0	0	124.8
229	Q	24.7	Very low	27.6	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.822	78%	0.783	S	S	*	*				81.9	135.8	125.6	-152.1	165.7	30.6	0	0	121.5
230	R	24.1	Very low	26.8	Very low	223 Å²	223	143.3 Å²	143.3	84%	0.842	79%	0.785	S	S	*	*			trans	-73	155.9	173.3	-72.3	172	154.4	-165.7	-5.6	112.5
231	Q	23.3	Very low	26.7	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	78%	0.784	S	S	*	*			trans	-109.8	155.6	146.6	-165.6	174	-32.3	0	0	110.5
232	L	25.3	Very low	26	Very low	132 Å²	132	139 Å²	139	69%	0.691	77%	0.771	S	S	*	*			trans	-102.5	148.8	-178	-82.2	165.5	0	0	0	113.1
233	S	25.5	Very low	26.2	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	77%	0.767	S	S	*	*			trans	48.8	131.5	141.1	-54	0	0	0	0	121.9
234	L	23.6	Very low	26.4	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	78%	0.779	S	S	*	*			trans	-143.3	169.1	138.9	-110	166.1	0	0	0	109.9
235	S	23.9	Very low	26.5	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	77%	0.773	S	S	*	*			trans	-132.5	151.5	-142.4	56.6	0	0	0	0	116.1
236	S	22.5	Very low	26.4	Very low	114 Å²	114	135 Å²	135	80%	0.797	77%	0.766	S	S	*	*			trans	165.5	158.2	154.8	-100.4	0	0	0	0	110.2
237	S	26.5	Very low	26.1	Very low	91 Å²	91	139.1 Å²	139.1	64%	0.636	78%	0.776	S	S	*	*			cis	-170.9	154.1	-15.3	-100.9	0	0	0	0	110.6
238	R	25.9	Very low	26.3	Very low	238 Å²	238	138.2 Å²	138.2	90%	0.898	77%	0.772	S	S	*	*			trans	69.1	158.1	151.3	-79	177.1	173.9	-135.5	-3.9	117.7
239	S	26.1	Very low	26.8	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	77%	0.773	S	S	*	*			cis	-163.8	170.5	-5	38	0	0	0	0	112.2
240	S	26.4	Very low	26.9	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	77%	0.772	S	S	*	*			trans	66.5	144.5	154.1	42.5	0	0	0	0	117.4
241	E	28.6	Very low	27.3	Very low	180 Å²	180	130.1 Å²	130.1	84%	0.841	78%	0.776	S	S	*	*			cis	-123.6	179.8	6.9	-94.8	-52.8	93.9	0	0	111.6
242	G	26.4	Very low	27.5	Very low	50 Å²	50	124.7 Å²	124.7	52%	0.515	77%	0.772	S	S	.	*			cis	-170.7	-133.5	6.5	0	0	0	0	0	112.8
243	S	27.9	Very low	27.6	Very low	123 Å²	123	122.4 Å²	122.4	86%	0.86	78%	0.78	S	S	*	*			trans	-160.2	155.1	-176.3	-69.8	0	0	0	0	115.7
244	L	30.8	Very low	27.9	Very low	163 Å²	163	129 Å²	129	85%	0.853	79%	0.788	S	S	*	*			trans	-168.9	122.2	133.8	-104.1	175.5	0	0	0	112.8
245	S	30.4	Very low	28.1	Very low	115 Å²	115	126.8 Å²	126.8	80%	0.804	79%	0.787	S	S	*	*			trans	26.9	137.3	155.1	57.9	0	0	0	0	122.9
246	G	27.1	Very low	28.4	Very low	67 Å²	67	127.2 Å²	127.2	69%	0.691	79%	0.79	S	S	*	*			cis	150	166.9	-6	0	0	0	0	0	114.6
247	Q	32.4	Very low	28.7	Very low	196 Å²	196	130.6 Å²	130.6	92%	0.916	79%	0.793	S	S	*	*			trans	64.8	144	166.4	-77.1	178.4	118.2	0	0	118.8
248	D	28.2	Very low	29.1	Very low	129 Å²	129	135 Å²	135	69%	0.69	80%	0.801	S	S	*	*			cis	-161.3	159.5	-11.4	-162.5	-13.8	0	0	0	111
249	S	32.5	Very low	29.5	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	80%	0.797	S	S	*	*			trans	66.5	124.7	149.2	-75.9	0	0	0	0	123.2
250	G	27.5	Very low	29.7	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	80%	0.803	S	S	*	*			trans	179.5	135.4	164.9	0	0	0	0	0	111.5
251	I	31.7	Very low	29.8	Very low	180 Å²	180	130.3 Å²	130.3	92%	0.923	81%	0.809	S	S	*	*			trans	-117.3	134.1	-165.7	-65.9	175.1	0	0	0	113.7
252	G	27.2	Very low	29.9	Very low	78 Å²	78	129.4 Å²	129.4	80%	0.804	81%	0.809	S	S	*	*			trans	113.2	148.7	136.3	0	0	0	0	0	118.2
253	G	27.5	Very low	29.8	Very low	84 Å²	84	138.6 Å²	138.6	87%	0.866	83%	0.829	S	S	*	*			trans	134	129.7	167.9	0	0	0	0	0	114.3
254	R	31.8	Very low	29.9	Very low	249 Å²	249	137 Å²	137	94%	0.94	82%	0.817	S	S	*	*			trans	-112	137.7	170.5	-67.4	172.6	168.5	-137.7	2.2	109.8
255	S	27.7	Very low	29.9	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	82%	0.816	S	S	*	*			trans	-168.6	171.5	132.3	53.1	0	0	0	0	110.6
256	S	30.7	Very low	29.8	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	81%	0.812	S	S	*	*			trans	-91.2	-171.8	-179.2	-169.8	0	0	0	0	111.5
257	E	28.7	Very low	30.1	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	81%	0.812	S	S	*	*			trans	94.7	166.4	158.6	-46.6	-158.3	113.8	0	0	117.9
258	K	34.6	Very low	29.9	Very low	183 Å²	183	132.6 Å²	132.6	80%	0.796	81%	0.811	S	S	*	*			trans	-129.8	120.9	-139.5	174	-169.3	177.5	-171	0	110.6
259	P	35.6	Very low	30.2	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	82%	0.817	S	S	*	*			trans	-79.3	126	-179.8	30.6	-32.9	0	0	0	111.9
260	T	29.7	Very low	30.5	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	82%	0.822	S	S	*	*			trans	-104.9	132.6	155.4	-58.2	0	0	0	0	107
261	G	27.9	Very low	30.6	Very low	80 Å²	80	143.4 Å²	143.4	83%	0.825	82%	0.823	S	S	*	*			trans	-73.3	125.7	-176.5	0	0	0	0	0	112.7
262	L	30.8	Very low	30.7	Very low	161 Å²	161	140.1 Å²	140.1	84%	0.843	82%	0.816	S	S	*	*			trans	-93.9	158.9	166.7	-74.4	161.9	0	0	0	110.3
263	W	24.7	Very low	31.5	Very low	244 Å²	244	142.4 Å²	142.4	92%	0.924	82%	0.817	S	S	*	*			trans	-143.6	135.6	131.6	69.7	-62.6	0	0	0	112.5
264	S	30.3	Very low	31.6	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	81%	0.81	S	S	*	*			trans	-110.1	178.1	162.6	-49.7	0	0	0	0	106.8
265	T	31.6	Very low	31.5	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	81%	0.809	S	S	*	*			cis	-149	-158.3	10.9	-20.2	0	0	0	0	106.3
266	A	28.2	Very low	31.9	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	80%	0.803	S	S	*	*			cis	-150.2	130.3	13.7	0	0	0	0	0	107.5
267	S	31.9	Very low	32	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	80%	0.803	S	S	*	*				72.7	112.9	77.4	174.5	0	0	0	0	116.2
268	S	28.3	Very low	32.7	Very low	128 Å²	128	134.8 Å²	134.8	90%	0.895	80%	0.799	S	S	*	*			trans	-149.1	167.1	141.3	-158.3	0	0	0	0	110.4
269	Q	34.9	Very low	32.3	Very low	173 Å²	173	133.5 Å²	133.5	81%	0.808	80%	0.802	S	S	*	*			trans	-121.4	166.8	-153.5	-62	-174.9	6.3	0	0	116.6
270	R	39.9	Very low	32.1	Very low	237 Å²	237	134.3 Å²	134.3	89%	0.894	80%	0.798	S	S	*	*			trans	-70.3	150.2	174.6	-72.1	-165.4	-70.5	-134.6	0.1	113.5
271	V	28.3	Very low	32	Very low	136 Å²	136	135.7 Å²	135.7	82%	0.824	80%	0.796	S	S	*	*			trans	-138.3	150.5	148.8	179.7	0	0	0	0	109.3
272	S	34.9	Very low	32.1	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	79%	0.794	S	S	*	*			trans	-139.6	139.8	165.5	-54.4	0	0	0	0	109.7
273	P	43.3	Very low	31.9	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	79%	0.794	S	S	*	*			trans	-132.9	152.8	149.3	36.9	-25	0	0	0	112.4
274	G	29.5	Very low	32.1	Very low	71 Å²	71	128.1 Å²	128.1	73%	0.732	79%	0.789	S	S	*	*			trans	-119.5	149.3	168.1	0	0	0	0	0	111.1
275	L	29.2	Very low	33.1	Very low	175 Å²	175	129.3 Å²	129.3	92%	0.916	79%	0.794	S	S	*	*			trans	-150.6	174.4	176.8	-92.4	-171.2	0	0	0	109.7
276	P	36.5	Very low	32.9	Very low	116 Å²	116	127.3 Å²	127.3	75%	0.753	79%	0.791	S	S	*	*				-102.5	174.4	-129.4	40.1	-40.8	0	0	0	117.5
277	S	32.9	Very low	32.9	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	80%	0.801	S	S	*	*			trans	-59.8	165	171.3	-34.6	0	0	0	0	114
278	P	44.3	Very low	32.7	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	80%	0.802	S	S	*	*				-149.7	144.3	90.8	38.3	-21.3	0	0	0	118.2
279	N	24.9	Very low	34	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	80%	0.802	S	S	*	*			trans	58.4	152.3	135.3	-140.8	17.2	0	0	0	124.9
280	L	32	Very low	33.6	Very low	142 Å²	142	127.2 Å²	127.2	74%	0.743	80%	0.803	S	S	*	*			trans	-67.6	144.4	178.4	-173.4	79.5	0	0	0	115.1
281	E	28.5	Very low	33.2	Very low	153 Å²	153	124.6 Å²	124.6	72%	0.715	80%	0.801	S	S	*	*				-178.6	145.8	120.8	-106.4	-176.4	50.2	0	0	116.7
282	N	29.7	Very low	34.3	Very low	145 Å²	145	122.9 Å²	122.9	78%	0.775	79%	0.793	S	S	*	*			trans	56.5	138.3	151.4	-56.4	-28.1	0	0	0	123.7
283	G	26.1	Very low	33.9	Very low	83 Å²	83	129.6 Å²	129.6	86%	0.856	80%	0.802	S	S	*	*			trans	140.3	91.1	148.2	0	0	0	0	0	117.4
284	A	29.1	Very low	33.4	Very low	97 Å²	97	129.8 Å²	129.8	80%	0.802	80%	0.801	S	S	*	*			trans	-122.3	-174.4	167.5	0	0	0	0	0	109
285	P	50.4	Low	34.3	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	80%	0.798	S	S	*	*			cis	-140	-172.6	-2.5	43.8	-26.2	0	0	0	115.8
286	A	27.6	Very low	34.3	Very low	90 Å²	90	128.3 Å²	128.3	74%	0.744	79%	0.792	S	S	*	*			trans	71.1	159.6	154.9	0	0	0	0	0	117.7
287	L	29.8	Very low	33.9	Very low	176 Å²	176	129.1 Å²	129.1	92%	0.921	79%	0.794	S	S	*	*			cis	-123.9	170.3	9.2	-81.4	164	0	0	0	112.8
288	G	26.8	Very low	33.6	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	80%	0.797	S	S	*	*			trans	-97.6	-142	-179.1	0	0	0	0	0	115.8
289	P	55.1	Low	32.8	Very low	138 Å²	138	128.2 Å²	128.2	90%	0.896	80%	0.796	S	S	*	*				-127.5	165.4	-115.8	39.1	-25.3	0	0	0	116.2
290	A	26.5	Very low	34.2	Very low	102 Å²	102	126.3 Å²	126.3	84%	0.843	79%	0.792	S	S	*	*			trans	-144.5	119	167.3	0	0	0	0	0	113.2
291	Q	31.5	Very low	34	Very low	182 Å²	182	128.1 Å²	128.1	85%	0.85	80%	0.802	S	S	*	*			trans	-111.2	-174	161.3	-76.8	-85.1	-5.3	0	0	107.1
292	P	52.2	Low	34.1	Very low	101 Å²	101	125.2 Å²	125.2	66%	0.656	80%	0.804	S	S	*	*				-122.8	169.5	-52.4	36.2	-25	0	0	0	111.4
293	R	26.5	Very low	34.1	Very low	250 Å²	250	126.9 Å²	126.9	94%	0.943	81%	0.812	S	S	*	*			trans	-146	119.2	152	-74.2	-159	177.3	-171.4	-1.1	114.2
294	T	32.6	Very low	34.3	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	81%	0.806	S	S	*	*			trans	-92.7	-171.9	152.7	52.6	0	0	0	0	107.7
295	P	47.8	Very low	34.2	Very low	104 Å²	104	129.1 Å²	129.1	68%	0.675	81%	0.807	S	S	*	*			cis	-147.2	171	10.5	45.5	-26.3	0	0	0	119.6
296	S	29.8	Very low	34.2	Very low	111 Å²	111	129 Å²	129	78%	0.776	81%	0.806	S	S	*	*			trans	59.5	173.3	151.9	-49.6	0	0	0	0	118.6
297	V	27.6	Very low	34.4	Very low	133 Å²	133	135.3 Å²	135.3	81%	0.806	81%	0.811	S	S	*	*			cis	-145.5	150.8	2.1	-158.6	0	0	0	0	108.7
298	S	26.6	Very low	34.5	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	80%	0.801	S	S	*	*			trans	161.5	159.5	130.7	-74.1	0	0	0	0	114.1
299	A	28.3	Very low	34.5	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	81%	0.805	S	S	*	*			trans	-147.2	-152.6	-177	0	0	0	0	0	109.8
300	P	54.4	Low	33.1	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	80%	0.801	S	S	*	*				-120.3	177.2	-80.9	37.9	-25.3	0	0	0	113.3
301	L	27.7	Very low	33.3	Very low	181 Å²	181	135 Å²	135	95%	0.948	80%	0.803	S	S	*	*			trans	-146.1	153.9	151.8	-84.8	-172.1	0	0	0	112.1
302	A	30.1	Very low	34	Very low	92 Å²	92	132 Å²	132	76%	0.76	80%	0.799	S	S	*	*			trans	-149.1	150.7	175.3	0	0	0	0	0	110.8
303	L	29.9	Very low	32.8	Very low	180 Å²	180	138 Å²	138	94%	0.942	81%	0.809	S	S	*	*			trans	-147.6	157	173.7	-92.2	170.9	0	0	0	110.1
304	S	30.3	Very low	32.9	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	79%	0.794	S	S	*	*			trans	-140.9	136.3	-155.5	-49.5	0	0	0	0	115.9
305	C	27.2	Very low	32.7	Very low	123 Å²	123	131 Å²	131	83%	0.831	79%	0.792	S	S	*	*			trans	69.3	166.9	144.2	-68.8	0	0	0	0	120.1
306	P	51.1	Low	31.8	Very low	111 Å²	111	132.3 Å²	132.3	72%	0.721	80%	0.804	S	S	*	*			cis	-138.6	168.7	-23.5	30.6	-10.8	0	0	0	117
307	R	31.7	Very low	31.7	Very low	224 Å²	224	130.6 Å²	130.6	85%	0.845	80%	0.803	S	S	*	*			trans	69	155.7	153.4	-91.6	-172.6	-174.1	-118.6	4.8	117.1
308	Q	30.3	Very low	31.9	Very low	153 Å²	153	132.8 Å²	132.8	72%	0.715	81%	0.81	S	S	*	*			cis	-136.9	174.2	-10.1	-55.8	-160.2	127.6	0	0	108.6
309	G	27.8	Very low	31.9	Very low	77 Å²	77	130.8 Å²	130.8	79%	0.794	81%	0.808	S	S	*	*			cis	120.1	99.4	-5	0	0	0	0	0	115.1
310	G	26.2	Very low	31.9	Very low	79 Å²	79	129.7 Å²	129.7	81%	0.814	81%	0.805	S	S	*	*			trans	177.7	142.6	172.9	0	0	0	0	0	113.2
311	L	30.3	Very low	30.8	Very low	171 Å²	171	133 Å²	133	90%	0.895	81%	0.81	S	S	*	*			trans	-146.3	175.8	-174.1	-104.8	179.4	0	0	0	111.3
312	P	46.6	Very low	30.8	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	81%	0.808	S	S	*	*				-100.5	-173.9	-120.3	42.7	-39.2	0	0	0	114.6
313	R	26.5	Very low	30.8	Very low	228 Å²	228	132.9 Å²	132.9	86%	0.86	81%	0.813	S	S	*	*			trans	-141.8	142.8	164	-163.6	171.1	178.2	-174.5	-0.9	113.4
314	S	29	Very low	30.6	Very low	90 Å²	90	127.9 Å²	127.9	63%	0.629	81%	0.805	S	S	*	*			trans	-81.5	164.3	177.8	56.2	0	0	0	0	113.7
315	N	28.1	Very low	30.6	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	81%	0.812	S	S	*	*				-177.6	133.6	112.8	-91.4	4.3	0	0	0	112
316	S	28.8	Very low	30.8	Very low	133 Å²	133	132.3 Å²	132.3	93%	0.93	81%	0.814	S	S	*	*			trans	-149.9	146.1	165.6	51.5	0	0	0	0	110.7
317	G	27.2	Very low	29.7	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	82%	0.823	S	S	*	*			trans	154.7	163.8	-173.7	0	0	0	0	0	109.7
318	L	31.7	Very low	29.4	Very low	180 Å²	180	131.9 Å²	131.9	94%	0.942	82%	0.823	S	S	*	*			cis	-157.3	149.3	-5.4	-176.2	70.5	0	0	0	108.7
319	G	27.1	Very low	29.7	Very low	76 Å²	76	130.2 Å²	130.2	78%	0.784	83%	0.825	S	S	*	*			trans	89.5	161.9	171.9	0	0	0	0	0	114.9
320	G	28.5	Very low	29.5	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	82%	0.824	S	S	*	*			cis	179.6	143.3	-4.4	0	0	0	0	0	111.2
321	E	30.2	Very low	29.5	Very low	186 Å²	186	136 Å²	136	87%	0.869	83%	0.825	S	S	*	*			trans	-82	152.6	-167.9	61.7	-90.8	31.1	0	0	116
322	V	27.7	Very low	29.1	Very low	148 Å²	148	132 Å²	132	90%	0.897	82%	0.816	S	S	*	*			trans	-161.5	156.9	145.8	68.6	0	0	0	0	110.5
323	S	31.1	Very low	28.5	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	82%	0.82	S	S	*	*			trans	-123.1	155.1	-177.6	-178.1	0	0	0	0	111.9
324	G	25.5	Very low	28.3	Very low	76 Å²	76	130 Å²	130	78%	0.784	82%	0.817	S	S	*	*			trans	-161.2	142.2	-176.1	0	0	0	0	0	115.3
325	V	31.2	Very low	28.8	Very low	145 Å²	145	130.8 Å²	130.8	88%	0.879	82%	0.821	S	S	*	*			trans	-96	158	-163.7	163.3	0	0	0	0	115
326	M	29.6	Very low	28.8	Very low	175 Å²	175	133.5 Å²	133.5	86%	0.862	82%	0.82	S	S	*	*			trans	-29.1	153.1	166.8	-67.8	-86.4	-161.3	0	0	119
327	S	28.3	Very low	28.6	Very low	131 Å²	131	134.8 Å²	134.8	92%	0.916	81%	0.809	S	S	*	*			trans	-161.6	159.6	144.8	-88	0	0	0	0	113.6
328	K	26.2	Very low	28.6	Very low	194 Å²	194	137.1 Å²	137.1	84%	0.843	80%	0.8	S	S	*	*			trans	-156.9	125	-175.7	179.9	-175.5	-178.5	-179	0	112.5
329	P	35.5	Very low	28.2	Very low	118 Å²	118	135 Å²	135	77%	0.766	79%	0.79	S	S	*	*				-136.3	149.6	129.3	23.3	-3.9	0	0	0	111.3
330	N	24.6	Very low	28.1	Very low	144 Å²	144	134.1 Å²	134.1	77%	0.77	78%	0.781	S	S	*	*			cis	78.5	110.7	44.4	-170.2	32	0	0	0	115.2
331	V	26.6	Very low	28.6	Very low	135 Å²	135	135.9 Å²	135.9	82%	0.818	78%	0.779	S	S	*	*			trans	173.9	152.4	140.3	147.1	0	0	0	0	109.8
332	A	22.3	Very low	28.4	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	78%	0.777	S	S	*	*			trans	-124	172.8	176.6	0	0	0	0	0	109.9
333	P	32.5	Very low	28.4	Very low	131 Å²	131	133.2 Å²	133.2	85%	0.851	76%	0.764	S	S	*	*				-151.1	-175.5	64.5	40.3	-18	0	0	0	118
334	Q	23.1	Very low	28.2	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	77%	0.765	S	S	*	*			trans	-69.2	-171.7	167.3	-83.2	-87.4	-45.4	0	0	113.5
335	P	40	Very low	28.3	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	76%	0.764	S	S	*	*			cis	-140.3	-165.4	6.1	31.7	-6.2	0	0	0	117.4
336	W	27.2	Very low	27.9	Very low	200 Å²	200	139 Å²	139	76%	0.758	76%	0.755	S	S	*	*			trans	88	119.9	146.3	152.7	-68.2	0	0	0	118.3
337	F	24.6	Very low	27.7	Very low	160 Å²	160	135.9 Å²	135.9	70%	0.702	75%	0.75	S	S	*	*				80.9	145.1	61.2	-82.1	-65.4	0	0	0	112.7
338	Q	26.7	Very low	27.6	Very low	123 Å²	123	135.6 Å²	135.6	58%	0.575	75%	0.748	S	S	*	*			cis	-117.9	-156.8	-2.1	-55.9	-89.6	118.4	0	0	109.5
339	D	24.1	Very low	27.8	Very low	136 Å²	136	130.5 Å²	130.5	73%	0.727	74%	0.742	S	S	*	*			cis	-158.6	-170.7	-10.2	-140.9	-54.3	0	0	0	110.3
340	G	25.1	Very low	27.9	Very low	57 Å²	57	131.1 Å²	131.1	59%	0.588	75%	0.746	S	S	*	*			trans	-131.3	-140.1	158.4	0	0	0	0	0	111.3
341	P	39.1	Very low	28	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	75%	0.747	S	S	*	*			cis	-143.4	-175.2	-20.9	43.7	-27.1	0	0	0	114.8
342	K	26.3	Very low	28.1	Very low	187 Å²	187	129.1 Å²	129.1	81%	0.813	75%	0.75	S	S	*	*			trans	74.6	104.9	152.4	-72.4	167.5	-173	172.9	0	122.6
343	S	26.8	Very low	28.4	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	75%	0.754	S	S	*	*				43.7	140.5	122.4	64.3	0	0	0	0	123.7
344	Y	27.9	Very low	29	Very low	221 Å²	221	130.3 Å²	130.3	87%	0.867	75%	0.753	S	S	*	*				-170.3	-169.4	121	-101.4	-63.3	0	0	0	113.5
345	L	26	Very low	29.3	Very low	145 Å²	145	127.1 Å²	127.1	76%	0.759	76%	0.756	S	S	*	*			trans	-96.7	157.6	-149.2	-72.8	159	0	0	0	118.8
346	S	24.4	Very low	28.5	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	76%	0.755	S	S	*	*			trans	59.9	122	138.5	-62.5	0	0	0	0	124.9
347	S	25	Very low	28.7	Very low	109 Å²	109	123.5 Å²	123.5	76%	0.762	76%	0.76	S	S	*	*				49.3	120.2	128.1	-51.4	0	0	0	0	122.9
348	S	25.9	Very low	28.6	Very low	125 Å²	125	122.5 Å²	122.5	87%	0.874	76%	0.762	S	S	*	*				165.4	156.6	112.9	-71.6	0	0	0	0	113.4
349	A	29.4	Very low	28.6	Very low	88 Å²	88	121 Å²	121	73%	0.727	77%	0.766	S	S	*	*			trans	-102.4	173.1	166	0	0	0	0	0	110.8
350	P	38.3	Very low	28.7	Very low	131 Å²	131	120.6 Å²	120.6	85%	0.851	77%	0.773	S	S	*	*				-146.9	178	98.1	38.7	-22.2	0	0	0	115.9
351	S	26.8	Very low	29	Very low	112 Å²	112	125.9 Å²	125.9	78%	0.783	78%	0.782	S	S	*	*			trans	-106.2	173.9	-169.9	-23.9	0	0	0	0	114.3
352	S	28.1	Very low	28.8	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	79%	0.788	S	S	*	*			trans	-165.9	155.3	135.1	12.4	0	0	0	0	113.7
353	S	29.2	Very low	28.6	Very low	113 Å²	113	120.8 Å²	120.8	79%	0.79	78%	0.78	S	S	*	*			trans	-112.2	-177.9	179.8	-44.6	0	0	0	0	111.4
354	P	45.6	Very low	28.6	Very low	128 Å²	128	121.5 Å²	121.5	83%	0.831	79%	0.791	S	S	*	*				-152	-178.8	94.8	33.9	-13.3	0	0	0	114.7
355	A	27.9	Very low	28.8	Very low	105 Å²	105	117.3 Å²	117.3	87%	0.868	79%	0.789	S	S	*	*			cis	-172	167.5	-34.1	0	0	0	0	0	110.8
356	G	23.5	Very low	29.3	Very low	66 Å²	66	116.5 Å²	116.5	68%	0.68	79%	0.792	S	S	*	*			trans	118.2	124.3	174.8	0	0	0	0	0	112.7
357	L	31.3	Very low	29.4	Very low	166 Å²	166	115.1 Å²	115.1	87%	0.869	79%	0.793	S	S	*	*			cis	72	133.6	39.3	-59.1	163.7	0	0	0	113.1
358	D	23.2	Very low	29.5	Very low	138 Å²	138	118.5 Å²	118.5	74%	0.738	80%	0.801	S	S	*	*			cis	-138	-143.2	12.9	-154.4	-91	0	0	0	114
359	S	26.2	Very low	29.7	Very low	93 Å²	93	115.5 Å²	115.5	65%	0.65	79%	0.791	S	S	*	*			trans	-121.2	174	-143.8	-49.3	0	0	0	0	118.5
360	S	26.8	Very low	29.8	Very low	127 Å²	127	116 Å²	116	89%	0.888	79%	0.787	S	S	*	*			trans	117.8	159.2	140.7	78.3	0	0	0	0	119.7
361	Q	30.3	Very low	29.5	Very low	167 Å²	167	119 Å²	119	78%	0.78	79%	0.786	S	S	*	*			trans	-112.5	160.9	-164.4	-99.7	-84.5	-46.4	0	0	110
362	P	35.9	Very low	30.6	Very low	125 Å²	125	116.2 Å²	116.2	81%	0.812	77%	0.765	S	S	*	*				-157.7	164.4	68.8	41.3	-20.2	0	0	0	120.2
363	G	22.9	Very low	30.5	Very low	62 Å²	62	113.8 Å²	113.8	64%	0.639	76%	0.76	S	S	*	*				113	113.3	117.3	0	0	0	0	0	123
364	A	26.1	Very low	30.4	Very low	107 Å²	107	114.7 Å²	114.7	88%	0.884	77%	0.765	S	S	*	*			trans	79.1	162.7	140.3	0	0	0	0	0	123
365	V	32.6	Very low	29.7	Very low	133 Å²	133	115 Å²	115	81%	0.806	76%	0.764	S	S	*	*			trans	-145.8	162	-169.6	-144.5	0	0	0	0	109.5
366	P	35.4	Very low	29.7	Very low	128 Å²	128	117 Å²	117	83%	0.831	76%	0.761	S	S	*	*				-150.1	156.2	92.9	36.7	-17.8	0	0	0	116.1
367	G	26.5	Very low	30	Very low	69 Å²	69	121.1 Å²	121.1	71%	0.711	77%	0.767	S	S	*	*				109.8	169.1	103.7	0	0	0	0	0	112.6
368	L	28.3	Very low	29.7	Very low	180 Å²	180	116.2 Å²	116.2	94%	0.942	76%	0.756	S	S	*	*			cis	-160.8	-172.8	-21	-115.1	175.1	0	0	0	110.6
369	G	28.8	Very low	30	Very low	63 Å²	63	116.1 Å²	116.1	65%	0.649	76%	0.761	S	S	*	*			trans	-91.9	-167.6	-179.7	0	0	0	0	0	116
370	P	32.8	Very low	29.9	Very low	99 Å²	99	114.8 Å²	114.8	64%	0.643	76%	0.762	S	S	*	*			cis	-137.1	-156	45	41.2	-21.6	0	0	0	115.4	Y180	Y180-P370 HydrophobicContact CE1-CB 4.34Å
371	K	32.3	Very low	30.4	Very low	194 Å²	194	115.3 Å²	115.3	84%	0.843	76%	0.762	S	S	*	*			trans	-143.5	-67	-165.6	-172.7	-164.4	169.2	-169.4	0	121.4
372	P	48.9	Very low	30.1	Very low	52 Å²	52	116.7 Å²	116.7	34%	0.338	77%	0.765	S	S	.	*			trans	-126.1	175.6	-135.4	38.7	-23.5	0	0	0	118.7	D181 N182	D181-P372 VanDerWaalsContact CG-CD 3.49Å; D181-P372 WeakPolarHBondContact OD2-CD 3.25Å; D181-P372 WeakPolarHBondContact OD2-CG 3.46Å; N182-P372 PolarHBondContact ND2-O 3.41Å
373	G	26.6	Very low	29.7	Very low	75 Å²	75	119.1 Å²	119.1	77%	0.773	77%	0.771	S	S	*	*			trans	-171.2	142.6	165.9	0	0	0	0	0	113.2
374	C	27.1	Very low	30	Very low	131 Å²	131	121.3 Å²	121.3	89%	0.885	78%	0.776	S	S	*	*			trans	-158.1	162.1	-179.1	-169.5	0	0	0	0	110.7
375	T	29.4	Very low	30.4	Very low	134 Å²	134	122.5 Å²	122.5	82%	0.822	78%	0.775	S	S	*	*			trans	-105.8	151	178.4	46	0	0	0	0	113.3
376	D	28.1	Very low	30.2	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	78%	0.775	S	S	*	*			trans	-97.7	-153.8	179.8	-152.4	25.3	0	0	0	110.9
377	L	30.8	Very low	29.7	Very low	152 Å²	152	121.1 Å²	121.1	80%	0.796	77%	0.768	S	S	*	*			cis	-160.6	142.7	19.1	-151.6	-173.4	0	0	0	110.1
378	G	24.3	Very low	30	Very low	63 Å²	63	125.4 Å²	125.4	65%	0.649	77%	0.774	S	S	*	*			trans	-165.5	54.8	-176	0	0	0	0	0	121.1
379	T	29.5	Very low	30	Very low	136 Å²	136	123 Å²	123	83%	0.834	77%	0.767	S	S	*	*			trans	53.3	132.8	145.5	-42.5	0	0	0	0	122.3
380	G	24.5	Very low	30	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	78%	0.775	S	S	*	*			trans	-84.9	-164.8	174.9	0	0	0	0	0	116.3
381	P	37.8	Very low	29.9	Very low	137 Å²	137	129.7 Å²	129.7	89%	0.89	78%	0.783	S	S	*	*				-143.4	-174.7	63.4	40	-21.2	0	0	0	117.4
382	K	24	Very low	29.8	Very low	196 Å²	196	127.1 Å²	127.1	85%	0.852	78%	0.784	S	S	*	*			trans	-72.4	153.3	-170.9	-62	174.5	174.6	177	0	116.5
383	L	26.7	Very low	28.7	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	81%	0.81	S	S	*	*				-147.9	168.5	120.9	-83	-166.3	0	0	0	110.7
384	S	29.4	Very low	28.7	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	80%	0.798	S	S	*	*			trans	-121.4	159.7	-168.4	54.3	0	0	0	0	114.3
385	P	34.3	Very low	28.7	Very low	131 Å²	131	132.7 Å²	132.7	85%	0.851	79%	0.791	S	S	*	*			trans	-131.3	175.8	152.1	38.6	-25.7	0	0	0	114.8
386	T	27.5	Very low	28.7	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	79%	0.791	S	S	*	*			trans	-128.1	145.5	-163.8	-61.4	0	0	0	0	112.6
387	S	26.7	Very low	29.3	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	79%	0.785	S	S	*	*			trans	38.9	106	155.7	-169	0	0	0	0	121.7
388	L	32	Very low	28.9	Very low	159 Å²	159	132.4 Å²	132.4	83%	0.832	78%	0.784	S	S	*	*				38.2	145.5	121.1	-82.5	170.3	0	0	0	124.1
389	V	27.7	Very low	29	Very low	131 Å²	131	136.3 Å²	136.3	79%	0.794	79%	0.79	S	S	*	*			trans	95.3	127.7	158	-164.5	0	0	0	0	118.3
390	H	29	Very low	28.6	Very low	175 Å²	175	135.7 Å²	135.7	81%	0.81	79%	0.791	S	S	*	*			trans	-103.8	152.8	168.4	-75.6	-95.4	0	0	0	111.7
391	P	31.4	Very low	28.6	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	80%	0.798	S	S	*	*			trans	-84.7	166.2	179.7	34.9	-36.6	0	0	0	114.8
392	V	29.3	Very low	28	Very low	140 Å²	140	141.9 Å²	141.9	85%	0.848	80%	0.8	S	S	*	*			trans	-131	145.9	179.3	169.2	0	0	0	0	110.6
393	M	26.1	Very low	28.1	Very low	179 Å²	179	140.7 Å²	140.7	88%	0.882	80%	0.797	S	S	*	*			trans	-154.2	145.2	163.2	-83.2	-145.5	145.3	0	0	109.9
394	S	27.5	Very low	28	Very low	77 Å²	77	135.5 Å²	135.5	54%	0.538	79%	0.787	S	S	.	*			cis	-163.2	155.9	-5.3	-95.7	0	0	0	0	112.6
395	T	26.3	Very low	27.7	Very low	118 Å²	118	135.4 Å²	135.4	72%	0.724	78%	0.782	S	S	*	*			trans	57.2	120.8	153.2	49.9	0	0	0	0	120.1
396	L	29	Very low	27.3	Very low	159 Å²	159	136.7 Å²	136.7	83%	0.832	78%	0.78	S	S	*	*				79	153.7	60.8	-78	172.9	0	0	0	114.6
397	P	41.3	Very low	27.1	Very low	104 Å²	104	133.9 Å²	133.9	68%	0.675	78%	0.778	S	S	*	*			cis	-137.5	163	-10.9	33.6	-13.2	0	0	0	116.6
398	E	23.4	Very low	26.9	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	79%	0.788	S	S	*	*				157.4	124.7	114.6	-80.6	-141.9	86.8	0	0	116.3
399	L	25.4	Very low	26.7	Very low	145 Å²	145	138 Å²	138	76%	0.759	78%	0.784	S	S	*	*			trans	39.6	108.2	142.3	-52.2	-175.4	0	0	0	122.4
400	S	22	Very low	26.6	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	78%	0.784	S	S	*	*				-156.4	128.5	125	-162.2	0	0	0	0	111.1
401	C	24.6	Very low	26.5	Very low	122 Å²	122	136.9 Å²	136.9	82%	0.824	79%	0.788	S	S	*	*			trans	-102.2	142.2	176	-63.6	0	0	0	0	110.9
402	K	25.1	Very low	26.4	Very low	211 Å²	211	134.2 Å²	134.2	92%	0.917	78%	0.783	S	S	*	*			trans	-115	123	157.1	-77.3	-165.2	173.1	-171.5	0	109
403	E	24.7	Very low	26.4	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.794	78%	0.783	S	S	*	*			trans	-81.2	148	174.1	178.4	47.5	-115.6	0	0	110.5	T405	E403-T405 PolarHBondContact OE1-N 2.66Å
404	G	25.1	Very low	26.8	Very low	69 Å²	69	133 Å²	133	71%	0.711	78%	0.784	S	S	*	*			trans	-127.1	-0.3	-164	0	0	0	0	0	116.7
405	T	23.7	Very low	27	Very low	106 Å²	106	132.6 Å²	132.6	65%	0.65	79%	0.792	S	S	*	*			trans	71.4	127.6	155.1	-57.8	0	0	0	0	119.6	E403	E403-T405 PolarHBondContact OE1-N 2.66Å
406	L	25.5	Very low	28.1	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	80%	0.796	S	S	*	*			trans	78.8	122.8	159.1	-82.6	168.2	0	0	0	121.3
407	G	23.2	Very low	28.2	Very low	74 Å²	74	131 Å²	131	76%	0.763	79%	0.79	S	S	*	*			trans	-179.4	104.6	163.3	0	0	0	0	0	112
408	W	23.5	Very low	27.6	Very low	237 Å²	237	133.3 Å²	133.3	90%	0.898	80%	0.796	S	S	*	*			trans	-68.5	161.4	167.2	-89.4	-58.5	0	0	0	110.2
409	S	26.1	Very low	27.9	Very low	107 Å²	107	132 Å²	132	75%	0.748	79%	0.794	S	S	*	*			cis	-157.2	-174.9	25.8	-144.3	0	0	0	0	114.1
410	S	25.7	Very low	28	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	79%	0.794	S	S	*	*			trans	-59.9	154.5	-175.8	-40.8	0	0	0	0	117.3
411	D	28.5	Very low	28.2	Very low	170 Å²	170	132.1 Å²	132.1	91%	0.909	79%	0.789	S	S	*	*				-166.4	174.6	108.9	-148.5	-13.8	0	0	0	112.1
412	G	28.8	Very low	29.3	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	79%	0.786	S	S	*	*			trans	97	120.1	155.6	0	0	0	0	0	117.3
413	S	30	Very low	29.6	Very low	119 Å²	119	127 Å²	127	83%	0.832	78%	0.779	S	S	*	*			trans	-122.7	147.2	174.9	178.7	0	0	0	0	111.2
414	L	34.2	Very low	30.1	Very low	176 Å²	176	124.3 Å²	124.3	92%	0.921	78%	0.778	S	S	*	*			trans	179.9	142.7	141	-95.3	165.2	0	0	0	109.5
415	G	32.1	Very low	31.1	Very low	67 Å²	67	127 Å²	127	69%	0.691	78%	0.783	S	S	*	*			trans	-106.6	-141.6	-178.6	0	0	0	0	0	113
416	P	49.1	Very low	31.9	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	80%	0.795	S	S	*	*			cis	-143.3	-158	-2.9	33.3	-8.4	0	0	0	114.6
417	V	30.5	Very low	32.4	Very low	119 Å²	119	133 Å²	133	72%	0.721	80%	0.799	S	S	*	*			trans	100.5	98.8	156.6	-170	0	0	0	0	119.2
418	L	28.6	Very low	33.2	Very low	153 Å²	153	140 Å²	140	80%	0.801	80%	0.803	S	S	*	*			trans	50.8	144.2	130.5	-57.5	179.3	0	0	0	120.5
419	L	29.5	Very low	33.7	Very low	140 Å²	140	135 Å²	135	73%	0.733	79%	0.793	S	S	*	*				-151.5	135.4	51.6	-169.7	67.9	0	0	0	116.3
420	E	27.8	Very low	34.6	Very low	161 Å²	161	136 Å²	136	75%	0.752	80%	0.797	S	S	*	*			trans	64.1	162.4	155.1	-74.7	-178.8	122.3	0	0	124.2
421	S	26.2	Very low	35	Very low	108 Å²	108	135.7 Å²	135.7	76%	0.755	79%	0.793	S	S	*	*			trans	-164.5	-152.7	-170.3	-57.3	0	0	0	0	104.8
422	P	48	Very low	35.5	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	79%	0.792	S	S	*	*			cis	-133.3	170	-22.8	40.3	-24.5	0	0	0	114.6
423	S	30.1	Very low	36.6	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	79%	0.791	S	S	*	*			trans	177.9	100.2	139.9	27.4	0	0	0	0	108.7
424	S	36.5	Very low	36.9	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	80%	0.795	S	S	*	*				77.9	148.6	70.4	81.1	0	0	0	0	114.1
425	P	46.5	Very low	37.2	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	79%	0.79	S	S	*	*			cis	-119.8	173	-1.5	40.1	-26.7	0	0	0	115
426	R	38.6	Very low	37.7	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.909	80%	0.795	S	S	*	*			trans	-95.4	158.3	169.1	-75.5	176.5	168.8	162.1	-6.2	111.5
427	V	37.8	Very low	37.2	Very low	150 Å²	150	139.2 Å²	139.2	91%	0.909	79%	0.791	S	S	*	*			trans	-111.3	155.7	150	-178.9	0	0	0	0	108.6
428	R	38.9	Very low	38.3	Very low	221 Å²	221	139.3 Å²	139.3	83%	0.834	79%	0.794	S	S	*	*			trans	-103.4	140.9	-166.1	-111.2	-177.4	164.7	-165.6	-4.1	113.7
429	L	34.1	Very low	39.2	Very low	133 Å²	133	140.7 Å²	140.7	70%	0.696	80%	0.797	S	S	*	*				21.2	145.2	126.8	-69.8	170.2	0	0	0	119.2
430	P	46.2	Very low	40.7	Very low	128 Å²	128	142.5 Å²	142.5	83%	0.831	81%	0.806	S	S	*	*			cis	-139.2	-170.3	43.3	40.5	-21.5	0	0	0	116.9
431	C	33.6	Very low	42.4	Very low	106 Å²	106	145.3 Å²	145.3	72%	0.716	81%	0.81	S	S	*	*			trans	-95.1	157.3	-163.9	-38.2	0	0	0	0	114.8
432	Q	39.5	Very low	44.4	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	80%	0.795	S	S	*	*				-165.4	157.1	116.1	-105	-164.7	84.3	0	0	112.1
433	P	50	Low	45.9	Very low	107 Å²	107	140.8 Å²	140.8	70%	0.695	78%	0.779	S	S	*	*			trans	-93.8	155.5	-177.8	37.1	-33.6	0	0	0	113.4
434	L	36.5	Very low	48.4	Very low	176 Å²	176	139 Å²	139	92%	0.921	77%	0.771	S	S	*	*			trans	-136	155.1	168.6	-81.4	173.1	0	0	0	111.5
435	V	41.3	Very low	50.4	Low	134 Å²	134	136.3 Å²	136.3	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-88.7	141.4	-164.8	-178.3	0	0	0	0	112.1
436	P	43.4	Very low	52.2	Low	123 Å²	123	135.7 Å²	135.7	80%	0.799	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-65.2	136.5	170.1	-20.3	33.3	0	0	0	112.9
437	G	38.2	Very low	54.6	Low	69 Å²	69	128.8 Å²	128.8	71%	0.711	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-81.2	172	178	0	0	0	0	0	114.6
438	P	54.2	Low	57	Low	122 Å²	122	128.6 Å²	128.6	79%	0.792	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-85.9	145	-166.7	33.2	-36.4	0	0	0	115.6
439	E	47.2	Very low	59.3	Low	182 Å²	182	123.4 Å²	123.4	85%	0.85	70%	0.698	S	S	*	*			trans	40	78.9	142.8	-61.1	-61.5	101.2	0	0	117.8	R441	E439-R441 PolarHBondContact O-N 2.85Å
440	L	59.2	Low	62	Low	177 Å²	177	121.5 Å²	121.5	93%	0.927	69%	0.685	S	S	*	*			trans	-67.8	94.4	157.2	-97.1	155.7	0	0	0	109.4
441	R	65.1	Low	64.1	Low	221 Å²	221	117.9 Å²	117.9	83%	0.834	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-55.2	128	169.8	179.3	-170.5	-71.3	149.5	-3.8	109	E439 S443	E439-R441 PolarHBondContact O-N 2.85Å; R441-S443 PolarHBondContact O-N 2.81Å
442	P	67.3	Low	66.8	Low	67 Å²	67	117.8 Å²	117.8	44%	0.435	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-52.2	136.1	179.2	-29.8	35.9	0	0	0	113.4	E446 L447	P442-E446 HydrophobicContact CB-CB 4.15Å; P442-L447 HydrophobicContact CB-CG 4.44Å
443	S	80.6	Confident	69.3	Low	62 Å²	62	112.9 Å²	112.9	43%	0.434	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-59.1	153	174.2	177.9	0	0	0	0	111.3	R441 A445 E446 L447	R441-S443 PolarHBondContact O-N 2.81Å; S443-A445 PolarHBondContact O-N 2.89Å; S443-A445 PolarHBondContact OG-N 2.91Å; S443-E446 WeakPolarHBondContact CB-OE2 3.44Å; S443-E446 PolarHBondContact N-OE2 3.32Å; S443-E446 PolarHBondContact O-N 3.3Å; S443-L447 PolarHBondContact O-N 3.39Å
444	A	81	Confident	71.3	Confident	73 Å²	73	111.8 Å²	111.8	60%	0.603	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-10	173.1	0	0	0	0	0	113.7	K448	A444-K448 VanDerWaalsContact O-CD 3.3Å; A444-K448 WeakPolarHBondContact O-CD 3.28Å; A444-K448 VanDerWaalsContact O-CG 3.3Å; A444-K448 WeakPolarHBondContact O-CG 3.2Å
445	A	79.9	Confident	73.8	Confident	55 Å²	55	110.3 Å²	110.3	46%	0.455	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-43.9	166.3	0	0	0	0	0	112.2	S443 K448 L449	S443-A445 PolarHBondContact O-N 2.89Å; S443-A445 PolarHBondContact OG-N 2.91Å; A445-K448 WeakPolarHBondContact O-CB 2.96Å; A445-K448 PolarHBondContact O-N 2.98Å; A445-K448 VanDerWaalsContact O-N 3.15Å; A445-L449 WeakPolarHBondContact O-CG 3.45Å; A445-L449 PolarHBondContact O-N 3.36Å
446	E	84.5	Confident	75.8	Confident	112 Å²	112	109 Å²	109	52%	0.523	60%	0.597	S	S	.	*	H	α-helix	trans	-65.7	-45	-179.4	-67.3	166.7	139.4	0	0	111	P442 S443 K448 L449 E450	P442-E446 HydrophobicContact CB-CB 4.15Å; S443-E446 WeakPolarHBondContact CB-OE2 3.44Å; S443-E446 PolarHBondContact N-OE2 3.32Å; S443-E446 PolarHBondContact O-N 3.3Å; E446-K448 PolarHBondContact O-N 3.36Å; E446-L449 PolarHBondContact O-N 3.46Å; E446-L449 VanDerWaalsContact O-N 3.1Å; E446-E450 WeakPolarHBondContact O-CB 3.4Å; E446-E450 PolarHBondContact O-N 3.36Å
447	L	87.6	Confident	78	Confident	97 Å²	97	108.6 Å²	108.6	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-59.3	-28.5	172.6	-103.6	166.4	0	0	0	113.5	P442 S443 A451	P442-L447 HydrophobicContact CB-CG 4.44Å; S443-L447 PolarHBondContact O-N 3.39Å; L447-A451 VanDerWaalsContact O-CB 3.26Å; L447-A451 WeakPolarHBondContact O-CB 3.12Å; L447-A451 PolarHBondContact O-N 3.48Å; L447-A451 VanDerWaalsContact O-N 3.1Å
448	K	88.4	Confident	80.1	Confident	145 Å²	145	112.8 Å²	112.8	63%	0.63	58%	0.578	S	S	*	*	H	α-helix	trans	-79.8	-38	174.5	-76	176.8	-176.3	175.6	0	112.1	A444 A445 E446 A451 L452	A444-K448 VanDerWaalsContact O-CD 3.3Å; A444-K448 WeakPolarHBondContact O-CD 3.28Å; A444-K448 VanDerWaalsContact O-CG 3.3Å; A444-K448 WeakPolarHBondContact O-CG 3.2Å; A445-K448 WeakPolarHBondContact O-CB 2.96Å; A445-K448 PolarHBondContact O-N 2.98Å; A445-K448 VanDerWaalsContact O-N 3.15Å; E446-K448 PolarHBondContact O-N 3.36Å; K448-A451 PolarHBondContact O-N 2.94Å; K448-L452 WeakPolarHBondContact O-CB 3.47Å; K448-L452 VanDerWaalsContact O-CG 3.25Å; K448-L452 WeakPolarHBondContact O-CG 3.43Å; K448-L452 PolarHBondContact O-N 2.86Å
449	L	87.7	Confident	81.5	Confident	112 Å²	112	111.1 Å²	111.1	59%	0.586	56%	0.56	S	S	*	*	H	α-helix	trans	-64.4	-45	174	-71	166.4	0	0	0	110.4	A445 E446 L452 T453	A445-L449 WeakPolarHBondContact O-CG 3.45Å; A445-L449 PolarHBondContact O-N 3.36Å; E446-L449 PolarHBondContact O-N 3.46Å; E446-L449 VanDerWaalsContact O-N 3.1Å; L449-L452 PolarHBondContact O-N 3.16Å; L449-T453 PolarHBondContact O-N 2.91Å; L449-T453 PolarHBondContact O-OG1 2.89Å; L449-T453 VanDerWaalsContact O-OG1 3.07Å
450	E	90.1	Very high	82.4	Confident	94 Å²	94	109.2 Å²	109.2	44%	0.439	55%	0.553	S	S	.	*	H	α-helix	trans	-59.6	-49	173.5	-179.2	174.1	-156.3	0	0	111.7	E446 L452 T453 Q454	E446-E450 WeakPolarHBondContact O-CB 3.4Å; E446-E450 PolarHBondContact O-N 3.36Å; E450-L452 PolarHBondContact O-N 3.46Å; E450-T453 PolarHBondContact O-N 2.82Å; E450-T453 VanDerWaalsContact O-N 3.16Å; E450-Q454 HydrophobicContact CG-CG 4.27Å; E450-Q454 WeakPolarHBondContact O-CB 3.41Å; E450-Q454 WeakPolarHBondContact O-CG 3.04Å; E450-Q454 PolarHBondContact O-N 2.97Å; E450-Q454 PolarHBondContact OE1-NE2 2.78Å; E450-Q454 VanDerWaalsContact OE1-NE2 3.17Å
451	A	90.7	Very high	83	Confident	52 Å²	52	106.6 Å²	106.6	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-28.1	177.4	0	0	0	0	0	113.7	L447 K448 R455	L447-A451 VanDerWaalsContact O-CB 3.26Å; L447-A451 WeakPolarHBondContact O-CB 3.12Å; L447-A451 PolarHBondContact O-N 3.48Å; L447-A451 VanDerWaalsContact O-N 3.1Å; K448-A451 PolarHBondContact O-N 2.94Å; A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 3.25Å
452	L	91	Very high	83.2	Confident	104 Å²	104	99.6 Å²	99.6	55%	0.545	53%	0.529	S	S	.	.	H	α-helix	trans	-75	-44.2	172	-74.7	167.9	0	0	0	111.6	K448 L449 E450 R455 L456	K448-L452 WeakPolarHBondContact O-CB 3.47Å; K448-L452 VanDerWaalsContact O-CG 3.25Å; K448-L452 WeakPolarHBondContact O-CG 3.43Å; K448-L452 PolarHBondContact O-N 2.86Å; L449-L452 PolarHBondContact O-N 3.16Å; E450-L452 PolarHBondContact O-N 3.46Å; L452-R455 WeakPolarHBondContact O-CB 3.19Å; L452-R455 PolarHBondContact O-N 2.9Å; L452-R455 VanDerWaalsContact O-N 3.11Å; L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 3.07Å
453	T	91.5	Very high	82.7	Confident	86 Å²	86	102.7 Å²	102.7	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-60.1	-51.8	174.9	-58.7	0	0	0	0	111	L449 E450 R455 L456 E457	L449-T453 PolarHBondContact O-N 2.91Å; L449-T453 PolarHBondContact O-OG1 2.89Å; L449-T453 VanDerWaalsContact O-OG1 3.07Å; E450-T453 PolarHBondContact O-N 2.82Å; E450-T453 VanDerWaalsContact O-N 3.16Å; T453-R455 PolarHBondContact O-N 3.37Å; T453-R455 VanDerWaalsContact O-N 3.11Å; T453-L456 PolarHBondContact O-N 3.08Å; T453-L456 VanDerWaalsContact O-N 3.09Å; T453-E457 VanDerWaalsContact O-CB 3.31Å; T453-E457 WeakPolarHBondContact O-CB 3.39Å; T453-E457 PolarHBondContact O-N 3.24Å
454	Q	91.3	Very high	81.6	Confident	85 Å²	85	104.7 Å²	104.7	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-19.6	175	-68.7	179.4	8.9	0	0	113.2	E450 R458	E450-Q454 HydrophobicContact CG-CG 4.27Å; E450-Q454 WeakPolarHBondContact O-CB 3.41Å; E450-Q454 WeakPolarHBondContact O-CG 3.04Å; E450-Q454 PolarHBondContact O-N 2.97Å; E450-Q454 PolarHBondContact OE1-NE2 2.78Å; E450-Q454 VanDerWaalsContact OE1-NE2 3.17Å; Q454-R458 WeakPolarHBondContact O-CG 3.42Å; Q454-R458 PolarHBondContact O-N 3.4Å; Q454-R458 PolarHBondContact O-NE 3.4Å; Q454-R458 PolarHBondContact O-NH2 3.32Å
455	R	90.7	Very high	80.6	Confident	145 Å²	145	110 Å²	110	55%	0.547	56%	0.559	S	S	.	*	H	α-helix	trans	-80.6	-47.4	172	178.4	177.4	172.3	165.3	2.5	111.1	A451 L452 T453 E457 R458 E459	A451-R455 WeakPolarHBondContact O-CB 3.49Å; A451-R455 PolarHBondContact O-N 3.25Å; L452-R455 WeakPolarHBondContact O-CB 3.19Å; L452-R455 PolarHBondContact O-N 2.9Å; L452-R455 VanDerWaalsContact O-N 3.11Å; T453-R455 PolarHBondContact O-N 3.37Å; T453-R455 VanDerWaalsContact O-N 3.11Å; R455-E457 VanDerWaalsContact C-N 3.32Å; R455-E457 PolarHBondContact O-N 3.47Å; R455-R458 PolarHBondContact O-N 3.38Å; R455-E459 HydrophobicContact CG-CG 4.47Å; R455-E459 IonicContact CZ-OE1 3.76Å; R455-E459 IonicContact NE-OE1 3.69Å; R455-E459 PolarHBondContact NE-OE1 3.01Å; R455-E459 IonicContact NH2-OE1 3.57Å; R455-E459 PolarHBondContact NH2-OE1 2.99Å; R455-E459 WeakPolarHBondContact O-CB 3.22Å; R455-E459 WeakPolarHBondContact O-CG 3.35Å; R455-E459 PolarHBondContact O-N 3.02Å
456	L	83.6	Confident	79.7	Confident	107 Å²	107	110 Å²	110	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-62.2	-40.5	177.2	-68.7	169.4	0	0	0	111.6	L452 T453 E459 M460	L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 3.07Å; T453-L456 PolarHBondContact O-N 3.08Å; T453-L456 VanDerWaalsContact O-N 3.09Å; L456-E459 PolarHBondContact O-N 2.82Å; L456-M460 WeakPolarHBondContact O-CG 3.2Å; L456-M460 PolarHBondContact O-N 2.9Å
457	E	87.8	Confident	79.2	Confident	113 Å²	113	109.8 Å²	109.8	53%	0.528	56%	0.561	S	S	.	*	H	α-helix	trans	-59.6	-49.5	174.3	-171.5	168.7	-143.1	0	0	111.2	T453 R455 E459 M460 D461	T453-E457 VanDerWaalsContact O-CB 3.31Å; T453-E457 WeakPolarHBondContact O-CB 3.39Å; T453-E457 PolarHBondContact O-N 3.24Å; R455-E457 VanDerWaalsContact C-N 3.32Å; R455-E457 PolarHBondContact O-N 3.47Å; E457-E459 PolarHBondContact O-N 2.87Å; E457-M460 WeakPolarHBondContact O-CB 3.46Å; E457-M460 PolarHBondContact O-N 2.88Å; E457-M460 VanDerWaalsContact O-N 3.17Å; E457-D461 PolarHBondContact O-N 2.57Å
458	R	83.8	Confident	78.9	Confident	158 Å²	158	112.1 Å²	112.1	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-65.7	-32.5	173.4	-77	179.6	-68.1	160.3	-1.7	114	Q454 R455 M460 A462	Q454-R458 WeakPolarHBondContact O-CG 3.42Å; Q454-R458 PolarHBondContact O-N 3.4Å; Q454-R458 PolarHBondContact O-NE 3.4Å; Q454-R458 PolarHBondContact O-NH2 3.32Å; R455-R458 PolarHBondContact O-N 3.38Å; R458-M460 VanDerWaalsContact C-N 3.3Å; R458-A462 WeakPolarHBondContact O-CB 3.42Å; R458-A462 PolarHBondContact O-N 3.22Å
459	E	81.9	Confident	78.4	Confident	87 Å²	87	109.9 Å²	109.9	41%	0.407	55%	0.554	S	S	.	*	H	α-helix	trans	-72.3	-25.4	174.7	-76.2	176.6	-178.2	0	0	112	R455 L456 E457 H463	R455-E459 HydrophobicContact CG-CG 4.47Å; R455-E459 IonicContact CZ-OE1 3.76Å; R455-E459 IonicContact NE-OE1 3.69Å; R455-E459 PolarHBondContact NE-OE1 3.01Å; R455-E459 IonicContact NH2-OE1 3.57Å; R455-E459 PolarHBondContact NH2-OE1 2.99Å; R455-E459 WeakPolarHBondContact O-CB 3.22Å; R455-E459 WeakPolarHBondContact O-CG 3.35Å; R455-E459 PolarHBondContact O-N 3.02Å; L456-E459 PolarHBondContact O-N 2.82Å; E457-E459 PolarHBondContact O-N 2.87Å; E459-H463 PolarHBondContact O-ND1 3.25Å
460	M	66.8	Low	78.3	Confident	142 Å²	142	105.3 Å²	105.3	70%	0.7	54%	0.535	S	S	*	.	H	α-helix	trans	-75.9	-50.1	168.4	-75	176.3	50.3	0	0	112	L456 E457 R458 A462 H463	L456-M460 WeakPolarHBondContact O-CG 3.2Å; L456-M460 PolarHBondContact O-N 2.9Å; E457-M460 WeakPolarHBondContact O-CB 3.46Å; E457-M460 PolarHBondContact O-N 2.88Å; E457-M460 VanDerWaalsContact O-N 3.17Å; R458-M460 VanDerWaalsContact C-N 3.3Å; M460-A462 VanDerWaalsContact C-N 3.33Å; M460-A462 PolarHBondContact O-N 3.03Å; M460-H463 CarbonylContact O-C 3.58Å; M460-H463 VanDerWaalsContact O-C 3.31Å; M460-H463 WeakPolarHBondContact O-CA 3.31Å; M460-H463 PolarHBondContact O-N 2.84Å
461	D	71.8	Confident	78.2	Confident	122 Å²	122	103.1 Å²	103.1	65%	0.652	53%	0.533	S	S	*	.	H	α-helix	trans	-66.6	-30.9	-179.6	-78.7	-11.6	0	0	0	113.3	E457 H463 P464	E457-D461 PolarHBondContact O-N 2.57Å; D461-H463 PolarHBondContact O-N 3.38Å; D461-P464 WeakPolarHBondContact O-CD 3.27Å
462	A	68.6	Low	78.1	Confident	73 Å²	73	100.7 Å²	100.7	60%	0.603	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.8	171.7	0	0	0	0	0	113.2	R458 M460 P464	R458-A462 WeakPolarHBondContact O-CB 3.42Å; R458-A462 PolarHBondContact O-N 3.22Å; M460-A462 VanDerWaalsContact C-N 3.33Å; M460-A462 PolarHBondContact O-N 3.03Å; A462-P464 VanDerWaalsContact O-CD 3.24Å; A462-P464 WeakPolarHBondContact O-CD 3.41Å
463	H	56.9	Low	77.9	Confident	133 Å²	133	99.7 Å²	99.7	62%	0.616	51%	0.511	S	S	*	.			trans	-113	72.5	170	-64.4	94.2	0	0	0	110.3	E459 M460 D461 K465	E459-H463 PolarHBondContact O-ND1 3.25Å; M460-H463 CarbonylContact O-C 3.58Å; M460-H463 VanDerWaalsContact O-C 3.31Å; M460-H463 WeakPolarHBondContact O-CA 3.31Å; M460-H463 PolarHBondContact O-N 2.84Å; D461-H463 PolarHBondContact O-N 3.38Å; H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 3.23Å
464	P	58.4	Low	77.6	Confident	104 Å²	104	101.1 Å²	101.1	68%	0.675	51%	0.509	S	S	*	.			trans	-61.9	101.7	162	29.3	-31	0	0	0	106.3	D461 A462 A466	D461-P464 WeakPolarHBondContact O-CD 3.27Å; A462-P464 VanDerWaalsContact O-CD 3.24Å; A462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-A466 PolarHBondContact O-N 2.86Å
465	K	59.8	Low	77.4	Confident	185 Å²	185	99.3 Å²	99.3	80%	0.804	51%	0.505	S	S	*	.			trans	-68.5	75.2	172.3	-68.1	175.8	-175.9	169.9	0	107.1	H463 D467	H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 3.23Å; K465-D467 VanDerWaalsContact O-CA 3.29Å; K465-D467 WeakPolarHBondContact O-CA 3.13Å; K465-D467 PolarHBondContact O-N 3.27Å
466	A	61.4	Low	77.2	Confident	55 Å²	55	97.3 Å²	97.3	46%	0.455	51%	0.514	S	S	.	.			trans	-51.4	107.8	-178.9	0	0	0	0	0	107.9	P464 Y468 F480	P464-A466 PolarHBondContact O-N 2.86Å; A466-Y468 PolarHBondContact O-N 3.16Å; A466-F480 HydrophobicContact CB-CB 4.23Å; A466-F480 WeakPolarHBondContact O-CD1 3.48Å
467	D	73.3	Confident	77.4	Confident	107 Å²	107	99.4 Å²	99.4	57%	0.572	52%	0.519	S	S	*	.			trans	-55	125.8	-149.1	-65.6	-78.7	0	0	0	111.4	K465 F469 F480 G481	K465-D467 VanDerWaalsContact O-CA 3.29Å; K465-D467 WeakPolarHBondContact O-CA 3.13Å; K465-D467 PolarHBondContact O-N 3.27Å; D467-F469 HydrophobicContact CB-CD2 4.28Å; D467-F469 HydrophobicContact CB-CE2 3.52Å; D467-F469 HydrophobicContact CB-CZ 3.67Å; D467-F469 WeakPolarHBondContact O-CD2 3.36Å; D467-F469 VanDerWaalsContact O-CE2 3.23Å; D467-F469 WeakPolarHBondContact O-CE2 3.33Å; D467-F469 PolarHBondContact O-N 2.88Å; D467-F469 VanDerWaalsContact O-N 3.12Å; D467-F480 WeakPolarHBondContact O-CA 3.42Å; D467-G481 PolarHBondContact O-N 2.94Å
468	Y	81.6	Confident	77.3	Confident	145 Å²	145	95 Å²	95	57%	0.569	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	93.3	-176.9	176.4	-103	0	0	0	108.8	A466 G470 F480	A466-Y468 PolarHBondContact O-N 3.16Å; Y468-G470 WeakPolarHBondContact CE2-O 3.28Å; Y468-G470 PolarHBondContact O-N 3.14Å; Y468-F480 HydrophobicContact CD2-CD1 4.14Å; Y468-F480 AromaticContact CD2-CE1 3.65Å; Y468-F480 HydrophobicContact CD2-CE1 3.65Å; Y468-F480 HydrophobicContact CD2-CZ 4.06Å; Y468-F480 HydrophobicContact CE2-CE1 4.48Å; Y468-F480 HydrophobicContact CE2-CZ 4.47Å; Y468-F480 HydrophobicContact CG-CE1 4.48Å
469	F	79.1	Confident	77.4	Confident	98 Å²	98	87.4 Å²	87.4	43%	0.43	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-12.1	-178.8	-68.4	-81.5	0	0	0	113	D467 V479 G481 A482 A485 L492	D467-F469 HydrophobicContact CB-CD2 4.28Å; D467-F469 HydrophobicContact CB-CE2 3.52Å; D467-F469 HydrophobicContact CB-CZ 3.67Å; D467-F469 WeakPolarHBondContact O-CD2 3.36Å; D467-F469 VanDerWaalsContact O-CE2 3.23Å; D467-F469 WeakPolarHBondContact O-CE2 3.33Å; D467-F469 PolarHBondContact O-N 2.88Å; D467-F469 VanDerWaalsContact O-N 3.12Å; F469-V479 PolarHBondContact N-O 2.93Å; F469-V479 VanDerWaalsContact N-O 3.09Å; F469-G481 VanDerWaalsContact CE2-C 3.41Å; F469-A482 HydrophobicContact CE2-CB 4.16Å; F469-A482 VanDerWaalsContact CE2-N 3.26Å; F469-A482 HydrophobicContact CZ-CB 3.9Å; F469-A485 HydrophobicContact CB-CB 4.43Å; F469-A485 HydrophobicContact CD2-CB 4.41Å; F469-A485 HydrophobicContact CG-CB 4.35Å; F469-L492 VanDerWaalsContact C-CD2 3.46Å; F469-L492 HydrophobicContact CB-CD1 4.38Å; F469-L492 HydrophobicContact CB-CD2 4.01Å; F469-L492 WeakPolarHBondContact O-CD2 3.37Å
470	G	85.3	Confident	77.5	Confident	17 Å²	17	88.8 Å²	88.8	18%	0.175	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-167.7	179.2	0	0	0	0	0	112.9	Y468 G478 V479	Y468-G470 WeakPolarHBondContact CE2-O 3.28Å; Y468-G470 PolarHBondContact O-N 3.14Å; G470-G478 CarbonylContact O-C 3.55Å; G470-G478 WeakPolarHBondContact O-CA 3.39Å; G470-V479 PolarHBondContact O-N 3.18Å
471	A	87.8	Confident	78	Confident	48 Å²	48	83 Å²	83	40%	0.397	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.1	175.8	0	0	0	0	0	111.4
472	C	89.1	Confident	77.8	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	46%	0.455	C	S	.	.			trans	-73.5	127.2	175.8	170.5	0	0	0	0	111.5	K474 C475 S476 K477 V479 L492 H494	C472-K474 PolarHBondContact O-N 2.8Å; C472-K474 PolarHBondContact SG-N 2.89Å; C472-K474 VanDerWaalsContact SG-N 3.39Å; C472-C475 PolarHBondContact O-N 3.42Å; C472-S476 VanDerWaalsContact O-CA 3.25Å; C472-S476 WeakPolarHBondContact O-CA 3.16Å; C472-S476 PolarHBondContact O-N 3.22Å; C472-K477 PolarHBondContact N-O 2.97Å; C472-V479 HydrophobicContact CB-CG2 3.87Å; C472-L492 CarbonylContact C-O 3.31Å; C472-L492 VanDerWaalsContact CA-O 3.3Å; C472-L492 WeakPolarHBondContact CA-O 3.37Å; C472-H494 VanDerWaalsContact CB-CE1 3.4Å; C472-H494 WeakPolarHBondContact CB-CE1 3.21Å; C472-H494 VanDerWaalsContact CB-ND1 3.26Å; C472-H494 WeakPolarHBondContact CB-ND1 3.19Å
473	V	86.3	Confident	77.9	Confident	83 Å²	83	80.2 Å²	80.2	50%	0.503	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	-178.1	178.3	0	0	0	0	113.3	N491 L492 Y493	V473-N491 HydrophobicContact CG2-CB 3.9Å; V473-L492 PolarHBondContact N-O 3.32Å; V473-Y493 HydrophobicContact CB-CE1 3.92Å
474	K	85.4	Confident	78.8	Confident	115 Å²	115	79.6 Å²	79.6	50%	0.5	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-28	-179	-170	-179.9	178.4	-177.1	0	114.6	C472 Y493 C497 T499	C472-K474 PolarHBondContact O-N 2.8Å; C472-K474 PolarHBondContact SG-N 2.89Å; C472-K474 VanDerWaalsContact SG-N 3.39Å; K474-Y493 HydrophobicContact CB-CD1 4.11Å; K474-Y493 HydrophobicContact CB-CE1 4.27Å; K474-C497 HydrophobicContact CB-CB 4.21Å; K474-C497 HydrophobicContact CD-CB 4.01Å; K474-C497 WeakPolarHBondContact CD-O 3.48Å; K474-C497 PolarHBondContact NZ-O 2.97Å; K474-T499 PolarHBondContact NZ-OG1 3.48Å
475	C	86.7	Confident	79.9	Confident	47 Å²	47	76 Å²	76	32%	0.318	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	0.7	-174.5	76.3	0	0	0	0	115	C472 K477 H494	C472-C475 PolarHBondContact O-N 3.42Å; C475-K477 PolarHBondContact O-N 3.07Å; C475-H494 PolarHBondContact SG-CE1 3.31Å; C475-H494 PolarHBondContact SG-ND1 2.99Å
476	S	86.3	Confident	81.1	Confident	104 Å²	104	67.9 Å²	67.9	73%	0.727	40%	0.399	S	S	*	.			trans	59	2.8	179.5	-49.9	0	0	0	0	116.4	C472	C472-S476 VanDerWaalsContact O-CA 3.25Å; C472-S476 WeakPolarHBondContact O-CA 3.16Å; C472-S476 PolarHBondContact O-N 3.22Å
477	K	87.2	Confident	82.2	Confident	151 Å²	151	72.5 Å²	72.5	66%	0.657	41%	0.411	S	S	*	.			trans	-84.5	152	176.9	-63.5	178.4	-176.6	-177.3	0	111.5	C472 C475	C472-K477 PolarHBondContact N-O 2.97Å; C475-K477 PolarHBondContact O-N 3.07Å
478	G	86	Confident	82.6	Confident	19 Å²	19	67.8 Å²	67.8	20%	0.196	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	144	173.1	0	0	0	0	0	113.2	G470 H494	G470-G478 CarbonylContact O-C 3.55Å; G470-G478 WeakPolarHBondContact O-CA 3.39Å; G478-H494 PolarHBondContact O-NE2 3.36Å
479	V	86.8	Confident	82.5	Confident	0 Å²	0	67 Å²	67	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.3	172.1	-175.1	0	0	0	0	107.2	F469 G470 C472 A485 L492	F469-V479 PolarHBondContact N-O 2.93Å; F469-V479 VanDerWaalsContact N-O 3.09Å; G470-V479 PolarHBondContact O-N 3.18Å; C472-V479 HydrophobicContact CB-CG2 3.87Å; V479-A485 HydrophobicContact CG1-CB 3.72Å; V479-L492 HydrophobicContact CB-CD2 3.72Å; V479-L492 HydrophobicContact CB-CG 4.39Å; V479-L492 HydrophobicContact CG1-CD2 4.35Å; V479-L492 HydrophobicContact CG2-CD2 3.65Å; V479-L492 HydrophobicContact CG2-CG 4.04Å
480	F	83.8	Confident	82.5	Confident	115 Å²	115	65.5 Å²	65.5	50%	0.504	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.2	-174.2	-56.5	-87.1	0	0	0	109.6	A466 D467 Y468	A466-F480 HydrophobicContact CB-CB 4.23Å; A466-F480 WeakPolarHBondContact O-CD1 3.48Å; D467-F480 WeakPolarHBondContact O-CA 3.42Å; Y468-F480 HydrophobicContact CD2-CD1 4.14Å; Y468-F480 AromaticContact CD2-CE1 3.65Å; Y468-F480 HydrophobicContact CD2-CE1 3.65Å; Y468-F480 HydrophobicContact CD2-CZ 4.06Å; Y468-F480 HydrophobicContact CE2-CE1 4.48Å; Y468-F480 HydrophobicContact CE2-CZ 4.47Å; Y468-F480 HydrophobicContact CG-CE1 4.48Å
481	G	77.3	Confident	82.6	Confident	22 Å²	22	67.5 Å²	67.5	23%	0.227	41%	0.409	C	S	.	.	S	Bend	trans	80.1	135.1	177.7	0	0	0	0	0	114.8	D467 F469 G483 Q484	D467-G481 PolarHBondContact O-N 2.94Å; F469-G481 VanDerWaalsContact CE2-C 3.41Å; G481-G483 PolarHBondContact O-N 3.07Å; G481-G483 VanDerWaalsContact O-N 3.12Å; G481-Q484 PolarHBondContact O-N 2.94Å; G481-Q484 VanDerWaalsContact O-N 3.16Å
482	A	67.9	Low	82.6	Confident	75 Å²	75	66.2 Å²	66.2	62%	0.62	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.1	-170	0	0	0	0	0	114.1	F469 Q484	F469-A482 HydrophobicContact CE2-CB 4.16Å; F469-A482 VanDerWaalsContact CE2-N 3.26Å; F469-A482 HydrophobicContact CZ-CB 3.9Å; A482-Q484 VanDerWaalsContact C-N 3.31Å; A482-Q484 PolarHBondContact O-N 3.32Å
483	G	70.6	Confident	82.6	Confident	61 Å²	61	66.9 Å²	66.9	63%	0.629	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-15.8	-179.4	0	0	0	0	0	115.6	G481	G481-G483 PolarHBondContact O-N 3.07Å; G481-G483 VanDerWaalsContact O-N 3.12Å
484	Q	74.4	Confident	82.7	Confident	120 Å²	120	64 Å²	64	56%	0.561	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-10.4	178.2	-63.4	-165.1	6.4	0	0	113.6	G481 A482 H494 D495	G481-Q484 PolarHBondContact O-N 2.94Å; G481-Q484 VanDerWaalsContact O-N 3.16Å; A482-Q484 VanDerWaalsContact C-N 3.31Å; A482-Q484 PolarHBondContact O-N 3.32Å; Q484-H494 CarbonylContact O-C 3.52Å; Q484-H494 WeakPolarHBondContact O-CA 3.48Å; Q484-D495 PolarHBondContact O-N 3.21Å
485	A	81	Confident	82.8	Confident	29 Å²	29	59.9 Å²	59.9	24%	0.24	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.6	179.6	0	0	0	0	0	112.1	F469 V479 L492	F469-A485 HydrophobicContact CB-CB 4.43Å; F469-A485 HydrophobicContact CD2-CB 4.41Å; F469-A485 HydrophobicContact CG-CB 4.35Å; V479-A485 HydrophobicContact CG1-CB 3.72Å; A485-L492 HydrophobicContact CB-CD1 4.31Å
486	C	84.9	Confident	82.8	Confident	14 Å²	14	62.3 Å²	62.3	10%	0.095	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.3	166.1	-70.4	0	0	0	0	108.2	Y493 F498	C486-Y493 PolarHBondContact N-O 3.46Å; C486-Y493 PolarHBondContact O-N 3.23Å; C486-F498 HydrophobicContact CB-CB 4.17Å; C486-F498 HydrophobicContact CB-CD1 4.39Å; C486-F498 HydrophobicContact CB-CG 4.29Å
487	Q	85.1	Confident	82.8	Confident	152 Å²	152	58.3 Å²	58.3	71%	0.71	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.9	171.5	-164.2	178.6	28.8	0	0	109.6	N491 L492	Q487-N491 CarbonylContact C-O 3.59Å; Q487-N491 WeakPolarHBondContact CA-O 3.38Å; Q487-L492 HydrophobicContact CB-CD1 4.32Å
488	A	81.2	Confident	83	Confident	8 Å²	8	51.4 Å²	51.4	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	118.9	-175.9	0	0	0	0	0	110.2	G490 N491 Y493 F498 F512	A488-G490 VanDerWaalsContact C-N 3.31Å; A488-G490 PolarHBondContact O-N 3.48Å; A488-N491 PolarHBondContact N-O 3.14Å; A488-N491 WeakPolarHBondContact O-CB 3.33Å; A488-N491 PolarHBondContact O-N 3.06Å; A488-Y493 HydrophobicContact CB-CD2 4.27Å; A488-Y493 HydrophobicContact CB-CE2 4.17Å; A488-F498 HydrophobicContact CB-CD2 4.32Å; A488-F498 HydrophobicContact CB-CE1 4.48Å; A488-F498 HydrophobicContact CB-CE2 3.44Å; A488-F498 VanDerWaalsContact CB-CE2 3.44Å; A488-F498 HydrophobicContact CB-CZ 3.55Å; A488-F512 HydrophobicContact CB-CE1 4.42Å; A488-F512 HydrophobicContact CB-CE2 4.08Å; A488-F512 HydrophobicContact CB-CZ 3.67Å
489	M	80.4	Confident	83.2	Confident	129 Å²	129	51.3 Å²	51.3	64%	0.635	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	49.4	-178.1	-59.2	-177.1	72.7	0	0	112.8	N491 F512 F514	M489-N491 PolarHBondContact O-N 3.25Å; M489-N491 VanDerWaalsContact O-N 3.08Å; M489-N491 PolarHBondContact O-ND2 3.34Å; M489-F512 HydrophobicContact CG-CE2 4.14Å; M489-F512 HydrophobicContact CG-CZ 4.42Å; M489-F512 HydrophobicContact SD-CE2 4.17Å; M489-F514 HydrophobicContact CE-CB 4.33Å; M489-F514 HydrophobicContact SD-CB 3.54Å; M489-F514 VanDerWaalsContact SD-CB 3.54Å; M489-F514 HydrophobicContact SD-CG 4.31Å
490	G	79.6	Confident	83.3	Confident	66 Å²	66	51.4 Å²	51.4	68%	0.68	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-18.9	-177.4	0	0	0	0	0	115.6	A488	A488-G490 VanDerWaalsContact C-N 3.31Å; A488-G490 PolarHBondContact O-N 3.48Å
491	N	86.4	Confident	83.4	Confident	58 Å²	58	48.6 Å²	48.6	31%	0.31	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148.1	-179	-68.2	-68.5	0	0	0	112	V473 Q487 A488 M489 Y493	V473-N491 HydrophobicContact CG2-CB 3.9Å; Q487-N491 CarbonylContact C-O 3.59Å; Q487-N491 WeakPolarHBondContact CA-O 3.38Å; A488-N491 PolarHBondContact N-O 3.14Å; A488-N491 WeakPolarHBondContact O-CB 3.33Å; A488-N491 PolarHBondContact O-N 3.06Å; M489-N491 PolarHBondContact O-N 3.25Å; M489-N491 VanDerWaalsContact O-N 3.08Å; M489-N491 PolarHBondContact O-ND2 3.34Å; N491-Y493 HydrophobicContact CB-CE2 3.58Å
492	L	88.1	Confident	83.7	Confident	21 Å²	21	50.3 Å²	50.3	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.4	179.8	-161.9	75	0	0	0	111.6	F469 C472 V473 V479 A485 Q487	F469-L492 VanDerWaalsContact C-CD2 3.46Å; F469-L492 HydrophobicContact CB-CD1 4.38Å; F469-L492 HydrophobicContact CB-CD2 4.01Å; F469-L492 WeakPolarHBondContact O-CD2 3.37Å; C472-L492 CarbonylContact C-O 3.31Å; C472-L492 VanDerWaalsContact CA-O 3.3Å; C472-L492 WeakPolarHBondContact CA-O 3.37Å; V473-L492 PolarHBondContact N-O 3.32Å; V479-L492 HydrophobicContact CB-CD2 3.72Å; V479-L492 HydrophobicContact CB-CG 4.39Å; V479-L492 HydrophobicContact CG1-CD2 4.35Å; V479-L492 HydrophobicContact CG2-CD2 3.65Å; V479-L492 HydrophobicContact CG2-CG 4.04Å; A485-L492 HydrophobicContact CB-CD1 4.31Å; Q487-L492 HydrophobicContact CB-CD1 4.32Å
493	Y	88.8	Confident	84.5	Confident	16 Å²	16	49.1 Å²	49.1	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.1	177.4	-56.4	-87.2	0	0	0	111.5	V473 K474 C486 A488 N491 F498	V473-Y493 HydrophobicContact CB-CE1 3.92Å; K474-Y493 HydrophobicContact CB-CD1 4.11Å; K474-Y493 HydrophobicContact CB-CE1 4.27Å; C486-Y493 PolarHBondContact N-O 3.46Å; C486-Y493 PolarHBondContact O-N 3.23Å; A488-Y493 HydrophobicContact CB-CD2 4.27Å; A488-Y493 HydrophobicContact CB-CE2 4.17Å; N491-Y493 HydrophobicContact CB-CE2 3.58Å; Y493-F498 HydrophobicContact CD1-CD2 4.48Å; Y493-F498 AromaticContact CD2-CD2 3.63Å; Y493-F498 HydrophobicContact CD2-CD2 3.63Å; Y493-F498 HydrophobicContact CD2-CE2 4.08Å; Y493-F498 HydrophobicContact CE2-CD2 4.13Å; Y493-F498 HydrophobicContact CE2-CE2 4.21Å; Y493-F498 HydrophobicContact CG-CB 4.45Å; Y493-F498 AromaticContact CG-CD2 3.84Å; Y493-F498 HydrophobicContact CG-CD2 3.84Å
494	H	89.1	Confident	85.2	Confident	23 Å²	23	50.2 Å²	50.2	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	150.1	159.2	-53.9	91	0	0	0	110.1	C472 C475 G478 Q484 T496 C497 F498	C472-H494 VanDerWaalsContact CB-CE1 3.4Å; C472-H494 WeakPolarHBondContact CB-CE1 3.21Å; C472-H494 VanDerWaalsContact CB-ND1 3.26Å; C472-H494 WeakPolarHBondContact CB-ND1 3.19Å; C475-H494 PolarHBondContact SG-CE1 3.31Å; C475-H494 PolarHBondContact SG-ND1 2.99Å; G478-H494 PolarHBondContact O-NE2 3.36Å; Q484-H494 CarbonylContact O-C 3.52Å; Q484-H494 WeakPolarHBondContact O-CA 3.48Å; H494-T496 PolarHBondContact O-N 3.27Å; H494-T496 VanDerWaalsContact O-N 3.15Å; H494-C497 HydrophobicContact CB-CB 4.06Å; H494-C497 CarbonylContact O-C 3.6Å; H494-C497 WeakPolarHBondContact O-CA 3.4Å; H494-C497 WeakPolarHBondContact O-CB 3.08Å; H494-C497 PolarHBondContact O-N 2.68Å; H494-F498 PolarHBondContact O-N 2.77Å
495	D	87.1	Confident	85.7	Confident	28 Å²	28	48.9 Å²	48.9	15%	0.15	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.8	170.3	171.3	102	0	0	0	113.4	Q484 K506 R508	Q484-D495 PolarHBondContact O-N 3.21Å; D495-K506 WeakPolarHBondContact OD2-CE 3.45Å; D495-K506 IonicContact OD2-NZ 2.79Å; D495-K506 PolarHBondContact OD2-NZ 3.14Å; D495-R508 WeakPolarHBondContact OD1-CD 3.45Å; D495-R508 IonicContact OD1-CZ 2.71Å; D495-R508 IonicContact OD1-NE 3.78Å; D495-R508 IonicContact OD1-NH1 3.57Å; D495-R508 PolarHBondContact OD1-NH1 3.21Å
496	T	86	Confident	86.1	Confident	98 Å²	98	52.7 Å²	52.7	60%	0.601	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.5	174.3	52.5	0	0	0	0	114	H494	H494-T496 PolarHBondContact O-N 3.27Å; H494-T496 VanDerWaalsContact O-N 3.15Å
497	C	87.8	Confident	86.2	Confident	19 Å²	19	52.1 Å²	52.1	13%	0.128	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-29.7	178.9	-75.7	0	0	0	0	112.5	K474 H494 T499	K474-C497 HydrophobicContact CB-CB 4.21Å; K474-C497 HydrophobicContact CD-CB 4.01Å; K474-C497 WeakPolarHBondContact CD-O 3.48Å; K474-C497 PolarHBondContact NZ-O 2.97Å; H494-C497 HydrophobicContact CB-CB 4.06Å; H494-C497 CarbonylContact O-C 3.6Å; H494-C497 WeakPolarHBondContact O-CA 3.4Å; H494-C497 WeakPolarHBondContact O-CB 3.08Å; H494-C497 PolarHBondContact O-N 2.68Å; C497-T499 VanDerWaalsContact C-N 3.27Å; C497-T499 PolarHBondContact O-N 3.05Å
498	F	89.7	Confident	86.2	Confident	7 Å²	7	52 Å²	52	3%	0.031	30%	0.298	C	S	.	.			trans	-75.5	74.8	-177.2	-164.1	-120.6	0	0	0	112.1	C486 A488 Y493 H494 L507 F512 V519	C486-F498 HydrophobicContact CB-CB 4.17Å; C486-F498 HydrophobicContact CB-CD1 4.39Å; C486-F498 HydrophobicContact CB-CG 4.29Å; A488-F498 HydrophobicContact CB-CD2 4.32Å; A488-F498 HydrophobicContact CB-CE1 4.48Å; A488-F498 HydrophobicContact CB-CE2 3.44Å; A488-F498 VanDerWaalsContact CB-CE2 3.44Å; A488-F498 HydrophobicContact CB-CZ 3.55Å; Y493-F498 HydrophobicContact CD1-CD2 4.48Å; Y493-F498 AromaticContact CD2-CD2 3.63Å; Y493-F498 HydrophobicContact CD2-CD2 3.63Å; Y493-F498 HydrophobicContact CD2-CE2 4.08Å; Y493-F498 HydrophobicContact CE2-CD2 4.13Å; Y493-F498 HydrophobicContact CE2-CE2 4.21Å; Y493-F498 HydrophobicContact CG-CB 4.45Å; Y493-F498 AromaticContact CG-CD2 3.84Å; Y493-F498 HydrophobicContact CG-CD2 3.84Å; H494-F498 PolarHBondContact O-N 2.77Å; F498-L507 HydrophobicContact CD1-CB 3.61Å; F498-L507 HydrophobicContact CE1-CB 3.41Å; F498-L507 VanDerWaalsContact CE1-CB 3.41Å; F498-L507 HydrophobicContact CG-CB 4.34Å; F498-L507 HydrophobicContact CZ-CB 4.02Å; F498-L507 HydrophobicContact CZ-CD1 4.43Å; F498-L507 PolarHBondContact O-N 2.91Å; F498-F512 HydrophobicContact CE1-CD1 4.09Å; F498-F512 HydrophobicContact CE1-CE1 4.23Å; F498-F512 AromaticContact CZ-CD1 3.72Å; F498-F512 HydrophobicContact CZ-CD1 3.72Å; F498-F512 AromaticContact CZ-CD2 3.98Å; F498-F512 HydrophobicContact CZ-CD2 3.98Å; F498-F512 AromaticContact CZ-CE1 3.74Å; F498-F512 HydrophobicContact CZ-CE1 3.74Å; F498-F512 HydrophobicContact CZ-CE2 4.01Å; F498-F512 AromaticContact CZ-CG 3.86Å; F498-F512 HydrophobicContact CZ-CG 3.86Å; F498-F512 AromaticContact CZ-CZ 3.9Å; F498-F512 HydrophobicContact CZ-CZ 3.9Å; F498-V519 HydrophobicContact CE2-CG1 4.15Å
499	T	90.7	Very high	86.2	Confident	17 Å²	17	55.8 Å²	55.8	10%	0.104	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-127.2	151.3	-176.9	74.4	0	0	0	0	111.7	K474 C497 S504 R505 K506 V519	K474-T499 PolarHBondContact NZ-OG1 3.48Å; C497-T499 VanDerWaalsContact C-N 3.27Å; C497-T499 PolarHBondContact O-N 3.05Å; T499-S504 WeakPolarHBondContact CB-O 3.44Å; T499-R505 CarbonylContact C-O 3.59Å; T499-R505 WeakPolarHBondContact CA-O 3.29Å; T499-R505 WeakPolarHBondContact CB-O 3.47Å; T499-K506 HydrophobicContact CG2-CG 4.24Å; T499-V519 VanDerWaalsContact O-CG2 3.25Å; T499-V519 WeakPolarHBondContact O-CG2 3.45Å
500	C	89.1	Confident	86.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	33%	0.332	C	S	.	.			trans	-54.4	143.5	171.8	-173.4	0	0	0	0	111.9	A502 C503 S504 R505 L507 V519 F520 C521 D524	C500-A502 VanDerWaalsContact C-N 3.33Å; C500-A502 PolarHBondContact SG-N 3.4Å; C500-A502 VanDerWaalsContact SG-N 3.4Å; C500-C503 WeakPolarHBondContact CB-SG 3.41Å; C500-S504 VanDerWaalsContact O-CA 3.27Å; C500-S504 WeakPolarHBondContact O-CA 3.48Å; C500-S504 PolarHBondContact O-N 3.08Å; C500-R505 PolarHBondContact N-O 3.13Å; C500-L507 HydrophobicContact CB-CD2 4.19Å; C500-V519 CarbonylContact C-O 3.59Å; C500-F520 VanDerWaalsContact SG-CA 3.59Å; C500-C521 PolarHBondContact SG-N 2.96Å; C500-C521 VanDerWaalsContact SG-N 3.44Å; C500-D524 PolarHBondContact SG-OD2 3.31Å
501	A	85.7	Confident	86.5	Confident	57 Å²	57	54.5 Å²	54.5	47%	0.471	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.2	176.1	0	0	0	0	0	114.5	K518 V519 F520	A501-K518 HydrophobicContact CB-CB 3.93Å; A501-K518 HydrophobicContact CB-CD 4.18Å; A501-K518 HydrophobicContact CB-CG 4.31Å; A501-V519 WeakPolarHBondContact CB-O 3.22Å; A501-V519 PolarHBondContact N-O 3.03Å; A501-F520 HydrophobicContact CB-CE1 4.22Å; A501-F520 HydrophobicContact CB-CZ 4.41Å
502	A	83.3	Confident	86.6	Confident	57 Å²	57	54.7 Å²	54.7	47%	0.471	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-77.4	174.7	0	0	0	0	0	111.1	C500 S504 F520 D524	C500-A502 VanDerWaalsContact C-N 3.33Å; C500-A502 PolarHBondContact SG-N 3.4Å; C500-A502 VanDerWaalsContact SG-N 3.4Å; A502-S504 VanDerWaalsContact C-N 3.27Å; A502-S504 PolarHBondContact O-N 3.31Å; A502-F520 HydrophobicContact CB-CD1 4.41Å; A502-F520 HydrophobicContact CB-CE1 4.41Å; A502-D524 HydrophobicContact CB-CB 4.37Å; A502-D524 VanDerWaalsContact CB-OD2 3.28Å; A502-D524 WeakPolarHBondContact CB-OD2 3.47Å
503	C	85	Confident	86.5	Confident	51 Å²	51	58 Å²	58	35%	0.345	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.9	-177.5	66.5	0	0	0	0	116.4	C500 R505 D524	C500-C503 WeakPolarHBondContact CB-SG 3.41Å; C503-R505 HydrophobicContact CB-CG 4.15Å; C503-R505 PolarHBondContact O-N 2.68Å; C503-R505 VanDerWaalsContact SG-CG 3.58Å; C503-R505 PolarHBondContact SG-NE 3.35Å; C503-D524 WeakPolarHBondContact CB-OD2 3.35Å; C503-D524 PolarHBondContact N-OD2 3.29Å; C503-D524 VanDerWaalsContact SG-CG 3.57Å; C503-D524 PolarHBondContact SG-OD2 3.33Å
504	S	84.9	Confident	86.2	Confident	83 Å²	83	61.1 Å²	61.1	58%	0.58	34%	0.342	S	S	*	.			trans	56.2	10.7	-175.2	-61	0	0	0	0	116.7	T499 C500 A502	T499-S504 WeakPolarHBondContact CB-O 3.44Å; C500-S504 VanDerWaalsContact O-CA 3.27Å; C500-S504 WeakPolarHBondContact O-CA 3.48Å; C500-S504 PolarHBondContact O-N 3.08Å; A502-S504 VanDerWaalsContact C-N 3.27Å; A502-S504 PolarHBondContact O-N 3.31Å
505	R	86.2	Confident	85.9	Confident	93 Å²	93	62.6 Å²	62.6	35%	0.351	35%	0.353	S	S	.	.			trans	-65.8	141	173.8	-65.8	-179.1	-77.5	174.5	-3.5	110.9	T499 C500 C503 E523 D524	T499-R505 CarbonylContact C-O 3.59Å; T499-R505 WeakPolarHBondContact CA-O 3.29Å; T499-R505 WeakPolarHBondContact CB-O 3.47Å; C500-R505 PolarHBondContact N-O 3.13Å; C503-R505 HydrophobicContact CB-CG 4.15Å; C503-R505 PolarHBondContact O-N 2.68Å; C503-R505 VanDerWaalsContact SG-CG 3.58Å; C503-R505 PolarHBondContact SG-NE 3.35Å; R505-E523 IonicContact CZ-OE1 2.72Å; R505-E523 IonicContact CZ-OE2 3.21Å; R505-E523 IonicContact NH1-OE1 3.56Å; R505-E523 PolarHBondContact NH1-OE1 3.44Å; R505-E523 IonicContact NH1-OE2 3.19Å; R505-E523 PolarHBondContact NH1-OE2 2.91Å; R505-E523 VanDerWaalsContact NH2-CD 3.3Å; R505-E523 IonicContact NH2-OE1 3.7Å; R505-E523 IonicContact NH2-OE2 3.75Å; R505-E523 PolarHBondContact NH2-OE2 2.91Å; R505-D524 IonicContact CZ-OD1 2.66Å; R505-D524 IonicContact NH2-OD1 2.85Å; R505-D524 PolarHBondContact NH2-OD1 3.36Å
506	K	88.8	Confident	85.4	Confident	108 Å²	108	68.5 Å²	68.5	47%	0.47	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-61.4	138.6	172.5	-72.1	-171.9	178.8	-175.1	0	110.8	D495 T499	D495-K506 WeakPolarHBondContact OD2-CE 3.45Å; D495-K506 IonicContact OD2-NZ 2.79Å; D495-K506 PolarHBondContact OD2-NZ 3.14Å; T499-K506 HydrophobicContact CG2-CG 4.24Å
507	L	87.3	Confident	85.1	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	38%	0.384	C	S	.	.			trans	-104.4	-3.9	-175.3	-61.7	176.9	0	0	0	113.7	F498 C500 G509 K510 F512 V519 C521	F498-L507 HydrophobicContact CD1-CB 3.61Å; F498-L507 HydrophobicContact CE1-CB 3.41Å; F498-L507 VanDerWaalsContact CE1-CB 3.41Å; F498-L507 HydrophobicContact CG-CB 4.34Å; F498-L507 HydrophobicContact CZ-CB 4.02Å; F498-L507 HydrophobicContact CZ-CD1 4.43Å; F498-L507 PolarHBondContact O-N 2.91Å; C500-L507 HydrophobicContact CB-CD2 4.19Å; L507-G509 PolarHBondContact O-N 3.16Å; L507-K510 PolarHBondContact O-N 3.26Å; L507-K510 VanDerWaalsContact O-N 3.09Å; L507-F512 HydrophobicContact CB-CB 4.41Å; L507-F512 HydrophobicContact CD1-CB 4.01Å; L507-F512 HydrophobicContact CD2-CB 4.4Å; L507-V519 HydrophobicContact CD1-CB 3.75Å; L507-V519 HydrophobicContact CD1-CG2 3.83Å; L507-C521 HydrophobicContact CD2-CB 3.42Å; L507-C521 VanDerWaalsContact CD2-CB 3.42Å
508	R	84.5	Confident	84.9	Confident	151 Å²	151	71.7 Å²	71.7	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	125.4	-179.8	-178.6	-179.5	172.6	-162.9	-1.5	110.6	D495 K510	D495-R508 WeakPolarHBondContact OD1-CD 3.45Å; D495-R508 IonicContact OD1-CZ 2.71Å; D495-R508 IonicContact OD1-NE 3.78Å; D495-R508 IonicContact OD1-NH1 3.57Å; D495-R508 PolarHBondContact OD1-NH1 3.21Å; R508-K510 VanDerWaalsContact C-N 3.28Å; R508-K510 PolarHBondContact O-N 3.43Å
509	G	82.3	Confident	84.8	Confident	86 Å²	86	72.2 Å²	72.2	89%	0.887	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	12.1	-179.7	0	0	0	0	0	115	L507	L507-G509 PolarHBondContact O-N 3.16Å
510	K	83.6	Confident	84.6	Confident	120 Å²	120	73.1 Å²	73.1	52%	0.522	41%	0.411	S	S	.	.	S	Bend	trans	-119.5	159.5	175.8	-65.4	-167.5	170.7	-161.3	0	111.2	L507 R508	L507-K510 PolarHBondContact O-N 3.26Å; L507-K510 VanDerWaalsContact O-N 3.09Å; R508-K510 VanDerWaalsContact C-N 3.28Å; R508-K510 PolarHBondContact O-N 3.43Å
511	A	83.2	Confident	84.6	Confident	49 Å²	49	73.4 Å²	73.4	41%	0.405	41%	0.412	S	S	.	.			trans	-63.4	137.1	167.1	0	0	0	0	0	110.5	E522	A511-E522 HydrophobicContact CB-CB 4.21Å; A511-E522 PolarHBondContact O-N 2.91Å
512	F	87.6	Confident	84.5	Confident	61 Å²	61	75 Å²	75	27%	0.268	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.1	179.2	67.8	-89.3	0	0	0	110.3	A488 M489 F498 L507 V519 F520	A488-F512 HydrophobicContact CB-CE1 4.42Å; A488-F512 HydrophobicContact CB-CE2 4.08Å; A488-F512 HydrophobicContact CB-CZ 3.67Å; M489-F512 HydrophobicContact CG-CE2 4.14Å; M489-F512 HydrophobicContact CG-CZ 4.42Å; M489-F512 HydrophobicContact SD-CE2 4.17Å; F498-F512 HydrophobicContact CE1-CD1 4.09Å; F498-F512 HydrophobicContact CE1-CE1 4.23Å; F498-F512 AromaticContact CZ-CD1 3.72Å; F498-F512 HydrophobicContact CZ-CD1 3.72Å; F498-F512 AromaticContact CZ-CD2 3.98Å; F498-F512 HydrophobicContact CZ-CD2 3.98Å; F498-F512 AromaticContact CZ-CE1 3.74Å; F498-F512 HydrophobicContact CZ-CE1 3.74Å; F498-F512 HydrophobicContact CZ-CE2 4.01Å; F498-F512 AromaticContact CZ-CG 3.86Å; F498-F512 HydrophobicContact CZ-CG 3.86Å; F498-F512 AromaticContact CZ-CZ 3.9Å; F498-F512 HydrophobicContact CZ-CZ 3.9Å; L507-F512 HydrophobicContact CB-CB 4.41Å; L507-F512 HydrophobicContact CD1-CB 4.01Å; L507-F512 HydrophobicContact CD2-CB 4.4Å; F512-V519 HydrophobicContact CD2-CG1 4.39Å; F512-F520 CarbonylContact C-O 3.59Å; F512-F520 VanDerWaalsContact CA-O 3.22Å; F512-F520 WeakPolarHBondContact CA-O 3.15Å; F512-F520 WeakPolarHBondContact CB-O 3.42Å
513	Y	85	Confident	84.4	Confident	92 Å²	92	77.2 Å²	77.2	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.8	-179	-65.8	-93.3	0	0	0	109.7	V519 F520 E522 F525	Y513-V519 CarbonylContact O-C 3.6Å; Y513-V519 WeakPolarHBondContact O-CA 3.45Å; Y513-F520 PolarHBondContact N-O 3.17Å; Y513-F520 PolarHBondContact O-N 3.05Å; Y513-E522 HydrophobicContact CE2-CB 4.08Å; Y513-E522 HydrophobicContact CE2-CG 4.22Å; Y513-F525 AromaticContact CD1-CD1 3.52Å; Y513-F525 HydrophobicContact CD1-CD1 3.52Å; Y513-F525 AromaticContact CD1-CE1 3.42Å; Y513-F525 HydrophobicContact CD1-CE1 3.42Å; Y513-F525 VanDerWaalsContact CD1-CE1 3.42Å; Y513-F525 HydrophobicContact CD1-CG 4.27Å; Y513-F525 HydrophobicContact CD1-CZ 4.13Å; Y513-F525 HydrophobicContact CD2-CB 3.78Å; Y513-F525 AromaticContact CD2-CD1 3.33Å; Y513-F525 HydrophobicContact CD2-CD1 3.33Å; Y513-F525 HydrophobicContact CD2-CE1 4.14Å; Y513-F525 AromaticContact CD2-CG 3.71Å; Y513-F525 HydrophobicContact CD2-CG 3.71Å; Y513-F525 AromaticContact CE1-CD1 3.92Å; Y513-F525 HydrophobicContact CE1-CD1 3.92Å; Y513-F525 AromaticContact CE1-CE1 3.79Å; Y513-F525 HydrophobicContact CE1-CE1 3.79Å; Y513-F525 AromaticContact CE2-CD1 3.76Å; Y513-F525 HydrophobicContact CE2-CD1 3.76Å; Y513-F525 HydrophobicContact CE2-CE1 4.46Å; Y513-F525 HydrophobicContact CG-CB 4.09Å; Y513-F525 AromaticContact CG-CD1 3.19Å; Y513-F525 HydrophobicContact CG-CD1 3.19Å; Y513-F525 HydrophobicContact CG-CD2 4.27Å; Y513-F525 AromaticContact CG-CE1 3.61Å; Y513-F525 HydrophobicContact CG-CE1 3.61Å; Y513-F525 AromaticContact CG-CG 3.56Å; Y513-F525 HydrophobicContact CG-CG 3.56Å; Y513-F525 HydrophobicContact CG-CZ 4.32Å
514	F	84.1	Confident	84.2	Confident	80 Å²	80	75.8 Å²	75.8	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.1	179.7	-174.5	-98.1	0	0	0	110	M489 K518 V519	M489-F514 HydrophobicContact CE-CB 4.33Å; M489-F514 HydrophobicContact SD-CB 3.54Å; M489-F514 VanDerWaalsContact SD-CB 3.54Å; M489-F514 HydrophobicContact SD-CG 4.31Å; F514-K518 WeakPolarHBondContact CA-O 3.46Å; F514-V519 HydrophobicContact CD2-CG1 3.79Å
515	V	81.6	Confident	84	Confident	54 Å²	54	74.6 Å²	74.6	33%	0.327	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135	-176.7	175.8	0	0	0	0	109.7	G517 K518 F525	V515-G517 PolarHBondContact O-N 3.3Å; V515-K518 PolarHBondContact N-O 2.72Å; V515-K518 PolarHBondContact O-N 2.66Å; V515-F525 HydrophobicContact CG2-CD2 4.33Å; V515-F525 HydrophobicContact CG2-CE2 3.67Å; V515-F525 HydrophobicContact CG2-CZ 4.37Å
516	N	77.9	Confident	83.4	Confident	153 Å²	153	74.6 Å²	74.6	82%	0.818	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.6	179.6	-59.8	-22.7	0	0	0	113.6	K518	N516-K518 VanDerWaalsContact C-N 3.26Å; N516-K518 PolarHBondContact O-N 3.02Å
517	G	79.1	Confident	82.4	Confident	58 Å²	58	74 Å²	74	60%	0.598	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	5.2	-180	0	0	0	0	0	115.2	V515	V515-G517 PolarHBondContact O-N 3.3Å
518	K	83.6	Confident	81.3	Confident	125 Å²	125	76.2 Å²	76.2	54%	0.543	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.2	-175	-65.8	177.8	-177.4	-179.7	0	111.1	A501 F514 V515 N516 F520	A501-K518 HydrophobicContact CB-CB 3.93Å; A501-K518 HydrophobicContact CB-CD 4.18Å; A501-K518 HydrophobicContact CB-CG 4.31Å; F514-K518 WeakPolarHBondContact CA-O 3.46Å; V515-K518 PolarHBondContact N-O 2.72Å; V515-K518 PolarHBondContact O-N 2.66Å; N516-K518 VanDerWaalsContact C-N 3.26Å; N516-K518 PolarHBondContact O-N 3.02Å; K518-F520 HydrophobicContact CB-CD2 4.44Å; K518-F520 HydrophobicContact CB-CE2 3.67Å; K518-F520 HydrophobicContact CB-CZ 3.98Å; K518-F520 HydrophobicContact CD-CZ 4.39Å
519	V	86.3	Confident	80.1	Confident	18 Å²	18	71.4 Å²	71.4	11%	0.109	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.8	171	-72.8	0	0	0	0	110.9	F498 T499 C500 A501 L507 F512 Y513 F514	F498-V519 HydrophobicContact CE2-CG1 4.15Å; T499-V519 VanDerWaalsContact O-CG2 3.25Å; T499-V519 WeakPolarHBondContact O-CG2 3.45Å; C500-V519 CarbonylContact C-O 3.59Å; A501-V519 WeakPolarHBondContact CB-O 3.22Å; A501-V519 PolarHBondContact N-O 3.03Å; L507-V519 HydrophobicContact CD1-CB 3.75Å; L507-V519 HydrophobicContact CD1-CG2 3.83Å; F512-V519 HydrophobicContact CD2-CG1 4.39Å; Y513-V519 CarbonylContact O-C 3.6Å; Y513-V519 WeakPolarHBondContact O-CA 3.45Å; F514-V519 HydrophobicContact CD2-CG1 3.79Å
520	F	87.4	Confident	78.7	Confident	37 Å²	37	74.2 Å²	74.2	16%	0.162	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	173.8	-62.2	-89.2	0	0	0	109.6	C500 A501 A502 F512 Y513 K518 F525	C500-F520 VanDerWaalsContact SG-CA 3.59Å; A501-F520 HydrophobicContact CB-CE1 4.22Å; A501-F520 HydrophobicContact CB-CZ 4.41Å; A502-F520 HydrophobicContact CB-CD1 4.41Å; A502-F520 HydrophobicContact CB-CE1 4.41Å; F512-F520 CarbonylContact C-O 3.59Å; F512-F520 VanDerWaalsContact CA-O 3.22Å; F512-F520 WeakPolarHBondContact CA-O 3.15Å; F512-F520 WeakPolarHBondContact CB-O 3.42Å; Y513-F520 PolarHBondContact N-O 3.17Å; Y513-F520 PolarHBondContact O-N 3.05Å; K518-F520 HydrophobicContact CB-CD2 4.44Å; K518-F520 HydrophobicContact CB-CE2 3.67Å; K518-F520 HydrophobicContact CB-CZ 3.98Å; K518-F520 HydrophobicContact CD-CZ 4.39Å; F520-F525 HydrophobicContact CB-CB 3.9Å
521	C	88.7	Confident	77.2	Confident	6 Å²	6	71 Å²	71	4%	0.041	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	160.3	163.9	59.5	0	0	0	0	109.9	C500 L507 E523 D524 F525	C500-C521 PolarHBondContact SG-N 2.96Å; C500-C521 VanDerWaalsContact SG-N 3.44Å; L507-C521 HydrophobicContact CD2-CB 3.42Å; L507-C521 VanDerWaalsContact CD2-CB 3.42Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 2.71Å; C521-D524 PolarHBondContact O-N 3.38Å; C521-D524 VanDerWaalsContact SG-CB 3.56Å; C521-D524 PolarHBondContact SG-N 2.97Å; C521-D524 PolarHBondContact SG-OD1 3.38Å; C521-F525 WeakPolarHBondContact O-CB 3.34Å; C521-F525 PolarHBondContact O-N 3.37Å
522	E	84.8	Confident	75.8	Confident	92 Å²	92	78 Å²	78	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-46.9	-51.6	174.2	-179.6	172.9	-162.1	0	0	113.3	A511 Y513 F525 L526	A511-E522 HydrophobicContact CB-CB 4.21Å; A511-E522 PolarHBondContact O-N 2.91Å; Y513-E522 HydrophobicContact CE2-CB 4.08Å; Y513-E522 HydrophobicContact CE2-CG 4.22Å; E522-F525 PolarHBondContact O-N 3.45Å; E522-L526 HydrophobicContact CG-CD1 3.91Å; E522-L526 WeakPolarHBondContact O-CB 3.26Å; E522-L526 VanDerWaalsContact O-CG 3.27Å; E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 3.16Å
523	E	81.3	Confident	74.3	Confident	103 Å²	103	79.1 Å²	79.1	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-56.2	-58.2	177.9	-60.6	165.8	-121.4	0	0	112.2	R505 C521 F525 L526 Y527	R505-E523 IonicContact CZ-OE1 2.72Å; R505-E523 IonicContact CZ-OE2 3.21Å; R505-E523 IonicContact NH1-OE1 3.56Å; R505-E523 PolarHBondContact NH1-OE1 3.44Å; R505-E523 IonicContact NH1-OE2 3.19Å; R505-E523 PolarHBondContact NH1-OE2 2.91Å; R505-E523 VanDerWaalsContact NH2-CD 3.3Å; R505-E523 IonicContact NH2-OE1 3.7Å; R505-E523 IonicContact NH2-OE2 3.75Å; R505-E523 PolarHBondContact NH2-OE2 2.91Å; C521-E523 VanDerWaalsContact C-N 3.34Å; C521-E523 PolarHBondContact O-N 2.71Å; E523-F525 VanDerWaalsContact C-N 3.26Å; E523-F525 PolarHBondContact O-N 2.93Å; E523-L526 PolarHBondContact O-N 3Å; E523-Y527 WeakPolarHBondContact O-CB 3.46Å; E523-Y527 PolarHBondContact O-N 3.39Å
524	D	80.3	Confident	73.4	Confident	20 Å²	20	76 Å²	76	11%	0.107	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-29.7	-178.6	-66.6	25	0	0	0	111.9	C500 A502 C503 R505 C521 S528	C500-D524 PolarHBondContact SG-OD2 3.31Å; A502-D524 HydrophobicContact CB-CB 4.37Å; A502-D524 VanDerWaalsContact CB-OD2 3.28Å; A502-D524 WeakPolarHBondContact CB-OD2 3.47Å; C503-D524 WeakPolarHBondContact CB-OD2 3.35Å; C503-D524 PolarHBondContact N-OD2 3.29Å; C503-D524 VanDerWaalsContact SG-CG 3.57Å; C503-D524 PolarHBondContact SG-OD2 3.33Å; R505-D524 IonicContact CZ-OD1 2.66Å; R505-D524 IonicContact NH2-OD1 2.85Å; R505-D524 PolarHBondContact NH2-OD1 3.36Å; C521-D524 PolarHBondContact O-N 3.38Å; C521-D524 VanDerWaalsContact SG-CB 3.56Å; C521-D524 PolarHBondContact SG-N 2.97Å; C521-D524 PolarHBondContact SG-OD1 3.38Å; D524-S528 WeakPolarHBondContact O-CA 3.4Å; D524-S528 WeakPolarHBondContact O-CB 3.36Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 2.88Å
525	F	80.3	Confident	72.9	Confident	58 Å²	58	75.1 Å²	75.1	25%	0.254	41%	0.406	S	S	.	.	H	α-helix	trans	-72.1	-49.9	178.2	174.8	-113.6	0	0	0	111.7	Y513 V515 F520 C521 E522 E523 Y527 G529	Y513-F525 AromaticContact CD1-CD1 3.52Å; Y513-F525 HydrophobicContact CD1-CD1 3.52Å; Y513-F525 AromaticContact CD1-CE1 3.42Å; Y513-F525 HydrophobicContact CD1-CE1 3.42Å; Y513-F525 VanDerWaalsContact CD1-CE1 3.42Å; Y513-F525 HydrophobicContact CD1-CG 4.27Å; Y513-F525 HydrophobicContact CD1-CZ 4.13Å; Y513-F525 HydrophobicContact CD2-CB 3.78Å; Y513-F525 AromaticContact CD2-CD1 3.33Å; Y513-F525 HydrophobicContact CD2-CD1 3.33Å; Y513-F525 HydrophobicContact CD2-CE1 4.14Å; Y513-F525 AromaticContact CD2-CG 3.71Å; Y513-F525 HydrophobicContact CD2-CG 3.71Å; Y513-F525 AromaticContact CE1-CD1 3.92Å; Y513-F525 HydrophobicContact CE1-CD1 3.92Å; Y513-F525 AromaticContact CE1-CE1 3.79Å; Y513-F525 HydrophobicContact CE1-CE1 3.79Å; Y513-F525 AromaticContact CE2-CD1 3.76Å; Y513-F525 HydrophobicContact CE2-CD1 3.76Å; Y513-F525 HydrophobicContact CE2-CE1 4.46Å; Y513-F525 HydrophobicContact CG-CB 4.09Å; Y513-F525 AromaticContact CG-CD1 3.19Å; Y513-F525 HydrophobicContact CG-CD1 3.19Å; Y513-F525 HydrophobicContact CG-CD2 4.27Å; Y513-F525 AromaticContact CG-CE1 3.61Å; Y513-F525 HydrophobicContact CG-CE1 3.61Å; Y513-F525 AromaticContact CG-CG 3.56Å; Y513-F525 HydrophobicContact CG-CG 3.56Å; Y513-F525 HydrophobicContact CG-CZ 4.32Å; V515-F525 HydrophobicContact CG2-CD2 4.33Å; V515-F525 HydrophobicContact CG2-CE2 3.67Å; V515-F525 HydrophobicContact CG2-CZ 4.37Å; F520-F525 HydrophobicContact CB-CB 3.9Å; C521-F525 WeakPolarHBondContact O-CB 3.34Å; C521-F525 PolarHBondContact O-N 3.37Å; E522-F525 PolarHBondContact O-N 3.45Å; E523-F525 VanDerWaalsContact C-N 3.26Å; E523-F525 PolarHBondContact O-N 2.93Å; F525-Y527 VanDerWaalsContact C-N 3.32Å; F525-Y527 PolarHBondContact O-N 3.35Å; F525-G529 WeakPolarHBondContact O-CA 3.27Å; F525-G529 PolarHBondContact O-N 3Å
526	L	73.6	Confident	72.9	Confident	94 Å²	94	80.3 Å²	80.3	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.9	-67.7	170.2	0	0	0	110.1	E522 E523 F530	E522-L526 HydrophobicContact CG-CD1 3.91Å; E522-L526 WeakPolarHBondContact O-CB 3.26Å; E522-L526 VanDerWaalsContact O-CG 3.27Å; E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 3.16Å; E523-L526 PolarHBondContact O-N 3Å; L526-F530 PolarHBondContact O-N 2.95Å; L526-F530 VanDerWaalsContact O-N 3.16Å
527	Y	67.6	Low	73.3	Confident	95 Å²	95	73.1 Å²	73.1	37%	0.373	38%	0.381	S	S	.	.	H	α-helix	trans	-65.8	-50.8	179	-165.8	-117.2	0	0	0	112.6	E523 F525 Q531 M545	E523-Y527 WeakPolarHBondContact O-CB 3.46Å; E523-Y527 PolarHBondContact O-N 3.39Å; F525-Y527 VanDerWaalsContact C-N 3.32Å; F525-Y527 PolarHBondContact O-N 3.35Å; Y527-Q531 VanDerWaalsContact CE1-OE1 3.26Å; Y527-Q531 WeakPolarHBondContact O-CB 3.27Å; Y527-Q531 PolarHBondContact O-N 2.95Å; Y527-Q531 PolarHBondContact O-NE2 2.87Å; Y527-M545 HydrophobicContact CD2-CE 3.95Å; Y527-M545 HydrophobicContact CD2-CG 4.41Å; Y527-M545 HydrophobicContact CD2-SD 4.2Å; Y527-M545 HydrophobicContact CE2-CE 3.94Å; Y527-M545 HydrophobicContact CE2-CG 3.75Å; Y527-M545 HydrophobicContact CE2-SD 3.55Å; Y527-M545 VanDerWaalsContact CE2-SD 3.55Å
528	S	65.4	Low	73.4	Confident	48 Å²	48	76.3 Å²	76.3	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-70.8	-33.6	-178.6	-55.1	0	0	0	0	112.7	D524 Q531	D524-S528 WeakPolarHBondContact O-CA 3.4Å; D524-S528 WeakPolarHBondContact O-CB 3.36Å; D524-S528 PolarHBondContact O-N 2.88Å; D524-S528 PolarHBondContact O-OG 2.88Å; S528-Q531 WeakPolarHBondContact O-CB 3.39Å; S528-Q531 PolarHBondContact O-N 3.38Å
529	G	58.8	Low	73.4	Confident	50 Å²	50	75.2 Å²	75.2	52%	0.515	38%	0.379	S	S	.	.	H	α-helix	trans	-67.7	-40.4	178.2	0	0	0	0	0	112.4	F525	F525-G529 WeakPolarHBondContact O-CA 3.27Å; F525-G529 PolarHBondContact O-N 3Å
530	F	52.8	Low	73.2	Confident	145 Å²	145	76.6 Å²	76.6	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-80.5	-17.8	171.7	-98.1	-99.4	0	0	0	113.8	L526 Q532 S533 A534	L526-F530 PolarHBondContact O-N 2.95Å; L526-F530 VanDerWaalsContact O-N 3.16Å; F530-Q532 PolarHBondContact O-N 3.42Å; F530-S533 CarbonylContact O-C 3.59Å; F530-S533 PolarHBondContact O-N 3.34Å; F530-S533 PolarHBondContact O-OG 3.47Å; F530-A534 VanDerWaalsContact O-CB 3.31Å; F530-A534 WeakPolarHBondContact O-CB 3.46Å; F530-A534 PolarHBondContact O-N 2.91Å
531	Q	52.8	Low	72.6	Confident	53 Å²	53	77.2 Å²	77.2	25%	0.248	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.1	-170.4	-146	106.3	96.6	0	0	115.9	Y527 S528 L543	Y527-Q531 VanDerWaalsContact CE1-OE1 3.26Å; Y527-Q531 WeakPolarHBondContact O-CB 3.27Å; Y527-Q531 PolarHBondContact O-N 2.95Å; Y527-Q531 PolarHBondContact O-NE2 2.87Å; S528-Q531 WeakPolarHBondContact O-CB 3.39Å; S528-Q531 PolarHBondContact O-N 3.38Å; Q531-L543 HydrophobicContact CG-CD1 4.42Å; Q531-L543 HydrophobicContact CG-CD2 4.13Å
532	Q	53.1	Low	72.1	Confident	195 Å²	195	83 Å²	83	91%	0.911	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.5	177.6	-58.9	-171.2	19.8	0	0	113.2	F530	F530-Q532 PolarHBondContact O-N 3.42Å
533	S	56.2	Low	71.7	Confident	86 Å²	86	80.6 Å²	80.6	60%	0.601	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.9	176.8	54.1	0	0	0	0	113.6	F530 D535	F530-S533 CarbonylContact O-C 3.59Å; F530-S533 PolarHBondContact O-N 3.34Å; F530-S533 PolarHBondContact O-OG 3.47Å; S533-D535 PolarHBondContact O-N 3.43Å
534	A	65.8	Low	71.5	Confident	26 Å²	26	76.4 Å²	76.4	22%	0.215	40%	0.402	C	S	.	.			trans	-70.6	121	179	0	0	0	0	0	111.5	F530 L543	F530-A534 VanDerWaalsContact O-CB 3.31Å; F530-A534 WeakPolarHBondContact O-CB 3.46Å; F530-A534 PolarHBondContact O-N 2.91Å; A534-L543 HydrophobicContact CB-CD2 3.83Å
535	D	74.5	Confident	70.9	Confident	62 Å²	62	81.8 Å²	81.8	33%	0.332	43%	0.428	S	S	.	.			trans	-58.3	138.5	178.7	-89.6	-16.7	0	0	0	112.4	S533 I544 I548 S555	S533-D535 PolarHBondContact O-N 3.43Å; D535-I544 HydrophobicContact CB-CD1 4.43Å; D535-I544 PolarHBondContact O-N 3.16Å; D535-I548 HydrophobicContact CB-CG2 4.18Å; D535-S555 VanDerWaalsContact CG-OG 3.26Å; D535-S555 VanDerWaalsContact OD2-CB 3.28Å; D535-S555 WeakPolarHBondContact OD2-CB 3.36Å; D535-S555 PolarHBondContact OD2-OG 3.31Å
536	R	81.6	Confident	70.3	Confident	162 Å²	162	86 Å²	86	61%	0.611	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-104.3	133.9	174.9	-60.2	-175.5	-171	168	3.6	109.4	F538 L543	R536-F538 PolarHBondContact O-N 2.89Å; R536-L543 HydrophobicContact CG-CD2 4.14Å; R536-L543 HydrophobicContact CG-CG 4.19Å
537	C	84.8	Confident	69.9	Low	2 Å²	2	85.5 Å²	85.5	1%	0.014	45%	0.45	C	S	.	.			trans	-65.6	122.2	178.8	175.8	0	0	0	0	110.8	L539 C540 G541 H542 I544 S555 H557	C537-L539 PolarHBondContact O-N 2.95Å; C537-C540 PolarHBondContact O-N 3.43Å; C537-G541 WeakPolarHBondContact O-CA 3.35Å; C537-G541 PolarHBondContact O-N 3.07Å; C537-H542 PolarHBondContact N-O 2.72Å; C537-I544 HydrophobicContact CB-CD1 4.08Å; C537-I544 HydrophobicContact CB-CG1 3.97Å; C537-S555 WeakPolarHBondContact CA-O 3.37Å; C537-H557 WeakPolarHBondContact CB-CE1 3.27Å; C537-H557 WeakPolarHBondContact CB-ND1 3.43Å; C537-H557 PolarHBondContact SG-ND1 3.28Å
538	F	82.6	Confident	70	Confident	126 Å²	126	84.7 Å²	84.7	55%	0.553	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.6	-177	-174.5	-99.2	0	0	0	114	R536 K554 S555 Y556	R536-F538 PolarHBondContact O-N 2.89Å; F538-K554 HydrophobicContact CB-CB 4.42Å; F538-K554 HydrophobicContact CD1-CD 4.11Å; F538-K554 HydrophobicContact CD2-CD 3.91Å; F538-K554 HydrophobicContact CD2-CG 4.46Å; F538-K554 HydrophobicContact CE1-CD 4.33Å; F538-K554 HydrophobicContact CE2-CD 4.13Å; F538-K554 HydrophobicContact CG-CD 3.91Å; F538-K554 HydrophobicContact CZ-CD 4.35Å; F538-S555 PolarHBondContact N-O 2.98Å; F538-S555 VanDerWaalsContact N-O 3.08Å; F538-Y556 HydrophobicContact CB-CD1 4.43Å; F538-Y556 HydrophobicContact CB-CE1 3.94Å; F538-Y556 HydrophobicContact CD1-CE1 4.3Å
539	L	82.3	Confident	70.3	Confident	101 Å²	101	83.7 Å²	83.7	53%	0.529	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-35.5	-177.4	-67.6	171.5	0	0	0	114.5	C537 Y556 C560	C537-L539 PolarHBondContact O-N 2.95Å; L539-Y556 HydrophobicContact CD1-CD1 3.74Å; L539-Y556 HydrophobicContact CD1-CE1 3.97Å; L539-Y556 HydrophobicContact CG-CD1 3.86Å; L539-Y556 HydrophobicContact CG-CE1 3.84Å; L539-C560 HydrophobicContact CB-CB 4.47Å; L539-C560 HydrophobicContact CD1-CB 4.2Å; L539-C560 WeakPolarHBondContact CD1-O 3.28Å
540	C	82.3	Confident	71.1	Confident	48 Å²	48	87.7 Å²	87.7	32%	0.324	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-2.7	-175.4	69.6	0	0	0	0	114.7	C537 H542 H557	C537-C540 PolarHBondContact O-N 3.43Å; C540-H542 PolarHBondContact O-N 2.95Å; C540-H542 PolarHBondContact O-ND1 3.4Å; C540-H557 VanDerWaalsContact SG-CE1 3.54Å; C540-H557 PolarHBondContact SG-ND1 2.87Å; C540-H557 VanDerWaalsContact SG-ND1 3.37Å
541	G	75.9	Confident	72	Confident	50 Å²	50	81.2 Å²	81.2	52%	0.515	42%	0.421	S	S	.	.			trans	73	-18.2	177	0	0	0	0	0	115.9	C537	C537-G541 WeakPolarHBondContact O-CA 3.35Å; C537-G541 PolarHBondContact O-N 3.07Å
542	H	77.9	Confident	73.1	Confident	128 Å²	128	82.8 Å²	82.8	59%	0.593	43%	0.43	S	S	*	.			trans	-66.7	150.1	177.4	-56.2	119.2	0	0	0	112.4	C537 C540	C537-H542 PolarHBondContact N-O 2.72Å; C540-H542 PolarHBondContact O-N 2.95Å; C540-H542 PolarHBondContact O-ND1 3.4Å
543	L	77.1	Confident	74.2	Confident	41 Å²	41	76.9 Å²	76.9	22%	0.215	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-71.3	132.4	176.9	-64.4	126.1	0	0	0	110.4	Q531 A534 R536 M545	Q531-L543 HydrophobicContact CG-CD1 4.42Å; Q531-L543 HydrophobicContact CG-CD2 4.13Å; A534-L543 HydrophobicContact CB-CD2 3.83Å; R536-L543 HydrophobicContact CG-CD2 4.14Å; R536-L543 HydrophobicContact CG-CG 4.19Å; L543-M545 PolarHBondContact O-N 3.42Å
544	I	76.3	Confident	75.5	Confident	14 Å²	14	75.4 Å²	75.4	7%	0.072	40%	0.404	C	S	.	.			trans	-83.4	113.3	176.2	-54.4	163.7	0	0	0	107.6	D535 C537 I548	D535-I544 HydrophobicContact CB-CD1 4.43Å; D535-I544 PolarHBondContact O-N 3.16Å; C537-I544 HydrophobicContact CB-CD1 4.08Å; C537-I544 HydrophobicContact CB-CG1 3.97Å; I544-I548 HydrophobicContact CB-CG2 3.99Å; I544-I548 HydrophobicContact CD1-CG2 3.94Å; I544-I548 HydrophobicContact CG2-CG2 3.69Å
545	M	66.6	Low	76.4	Confident	133 Å²	133	74.5 Å²	74.5	66%	0.655	40%	0.396	S	S	*	.			trans	-83.2	-31.1	178.4	-69.4	-177.9	63.7	0	0	113.2	Y527 L543	Y527-M545 HydrophobicContact CD2-CE 3.95Å; Y527-M545 HydrophobicContact CD2-CG 4.41Å; Y527-M545 HydrophobicContact CD2-SD 4.2Å; Y527-M545 HydrophobicContact CE2-CE 3.94Å; Y527-M545 HydrophobicContact CE2-CG 3.75Å; Y527-M545 HydrophobicContact CE2-SD 3.55Å; Y527-M545 VanDerWaalsContact CE2-SD 3.55Å; L543-M545 PolarHBondContact O-N 3.42Å
546	D	67.9	Low	77	Confident	146 Å²	146	71.8 Å²	71.8	78%	0.781	38%	0.381	S	S	*	.	S	Bend	trans	-112.3	-125.9	-167.5	-56	-65.5	0	0	0	111.8	I548	D546-I548 PolarHBondContact O-N 2.67Å
547	M	65.7	Low	77.2	Confident	85 Å²	85	66.2 Å²	66.2	42%	0.419	36%	0.362	S	S	.	.			trans	-74.7	108.6	-176.7	-168.1	166.1	-168	0	0	111.4	R30 P558	R30-M547 HydrophobicContact CG-CE 4.35Å; M547-P558 WeakPolarHBondContact O-CD 3.48Å
548	I	69.4	Low	77.1	Confident	77 Å²	77	68 Å²	68	40%	0.395	37%	0.373	S	S	.	.			trans	-70.8	123.6	168.5	50.6	169.8	0	0	0	110.4	D535 I544 D546	D535-I548 HydrophobicContact CB-CG2 4.18Å; I544-I548 HydrophobicContact CB-CG2 3.99Å; I544-I548 HydrophobicContact CD1-CG2 3.94Å; I544-I548 HydrophobicContact CG2-CG2 3.69Å; D546-I548 PolarHBondContact O-N 2.67Å
549	L	71.1	Confident	77	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.141	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.5	157.6	-68.8	-175	0	0	0	107.8	S555 Y556 P558 F561 D571	L549-S555 CarbonylContact O-C 3.53Å; L549-S555 WeakPolarHBondContact O-CA 3.39Å; L549-Y556 PolarHBondContact N-O 3.35Å; L549-Y556 PolarHBondContact O-N 3.04Å; L549-P558 HydrophobicContact CD1-CB 4.31Å; L549-P558 HydrophobicContact CD1-CG 4.48Å; L549-P558 HydrophobicContact CG-CG 4.31Å; L549-F561 HydrophobicContact CD1-CB 3.8Å; L549-F561 HydrophobicContact CD1-CD1 3.91Å; L549-F561 HydrophobicContact CD1-CG 4.01Å; L549-D571 HydrophobicContact CD1-CB 4.07Å
550	Q	77.6	Confident	77.1	Confident	134 Å²	134	60.8 Å²	60.8	63%	0.626	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.5	178.4	-161.8	176.1	24.2	0	0	109.5	K554	Q550-K554 WeakPolarHBondContact CA-O 3.25Å
551	A	71.5	Confident	77.4	Confident	10 Å²	10	58.7 Å²	58.7	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.6	179.4	0	0	0	0	0	109	G553 K554 Y556 F561 F575	A551-G553 PolarHBondContact O-N 2.84Å; A551-G553 VanDerWaalsContact O-N 3.14Å; A551-K554 PolarHBondContact N-O 3.49Å; A551-K554 PolarHBondContact O-N 3.03Å; A551-Y556 HydrophobicContact CB-CD2 4.45Å; A551-Y556 HydrophobicContact CB-CE2 4.22Å; A551-F561 HydrophobicContact CB-CE2 3.83Å; A551-F561 HydrophobicContact CB-CZ 4.16Å; A551-F575 HydrophobicContact CB-CE2 4.25Å; A551-F575 HydrophobicContact CB-CZ 3.92Å
552	L	75.2	Confident	78	Confident	86 Å²	86	61.2 Å²	61.2	45%	0.45	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	26.4	-179.3	-45.8	165.4	0	0	0	114.1	K554 V577 N581	L552-K554 PolarHBondContact O-N 3.26Å; L552-V577 HydrophobicContact CD1-CB 4.33Å; L552-V577 HydrophobicContact CD1-CG1 3.56Å; L552-V577 HydrophobicContact CD1-CG2 4Å; L552-V577 HydrophobicContact CD2-CB 3.98Å; L552-V577 HydrophobicContact CD2-CG1 3.81Å; L552-V577 HydrophobicContact CD2-CG2 3.93Å; L552-V577 HydrophobicContact CG-CG1 4.25Å; L552-V577 HydrophobicContact CG-CG2 4.2Å; L552-N581 HydrophobicContact CD1-CB 4.39Å
553	G	76.2	Confident	78.6	Confident	70 Å²	70	55.1 Å²	55.1	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	13.7	-172.2	0	0	0	0	0	114.7	A551	A551-G553 PolarHBondContact O-N 2.84Å; A551-G553 VanDerWaalsContact O-N 3.14Å
554	K	82.9	Confident	79.1	Confident	56 Å²	56	57 Å²	57	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.2	177.2	-65.2	172.1	-177.5	174.3	0	110	F538 Q550 A551 L552 Y556	F538-K554 HydrophobicContact CB-CB 4.42Å; F538-K554 HydrophobicContact CD1-CD 4.11Å; F538-K554 HydrophobicContact CD2-CD 3.91Å; F538-K554 HydrophobicContact CD2-CG 4.46Å; F538-K554 HydrophobicContact CE1-CD 4.33Å; F538-K554 HydrophobicContact CE2-CD 4.13Å; F538-K554 HydrophobicContact CG-CD 3.91Å; F538-K554 HydrophobicContact CZ-CD 4.35Å; Q550-K554 WeakPolarHBondContact CA-O 3.25Å; A551-K554 PolarHBondContact N-O 3.49Å; A551-K554 PolarHBondContact O-N 3.03Å; L552-K554 PolarHBondContact O-N 3.26Å; K554-Y556 HydrophobicContact CB-CE2 3.63Å; K554-Y556 WeakPolarHBondContact O-CD2 3.42Å; K554-Y556 WeakPolarHBondContact O-CE2 3.37Å
555	S	85.6	Confident	79.6	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.8	-177.6	-56.9	0	0	0	0	111.5	D535 C537 F538 L549	D535-S555 VanDerWaalsContact CG-OG 3.26Å; D535-S555 VanDerWaalsContact OD2-CB 3.28Å; D535-S555 WeakPolarHBondContact OD2-CB 3.36Å; D535-S555 PolarHBondContact OD2-OG 3.31Å; C537-S555 WeakPolarHBondContact CA-O 3.37Å; F538-S555 PolarHBondContact N-O 2.98Å; F538-S555 VanDerWaalsContact N-O 3.08Å; L549-S555 CarbonylContact O-C 3.53Å; L549-S555 WeakPolarHBondContact O-CA 3.39Å
556	Y	86.1	Confident	80.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.5	-174.2	-57.1	-95.2	0	0	0	111.1	F538 L539 L549 A551 K554 F561 I583	F538-Y556 HydrophobicContact CB-CD1 4.43Å; F538-Y556 HydrophobicContact CB-CE1 3.94Å; F538-Y556 HydrophobicContact CD1-CE1 4.3Å; L539-Y556 HydrophobicContact CD1-CD1 3.74Å; L539-Y556 HydrophobicContact CD1-CE1 3.97Å; L539-Y556 HydrophobicContact CG-CD1 3.86Å; L539-Y556 HydrophobicContact CG-CE1 3.84Å; L549-Y556 PolarHBondContact N-O 3.35Å; L549-Y556 PolarHBondContact O-N 3.04Å; A551-Y556 HydrophobicContact CB-CD2 4.45Å; A551-Y556 HydrophobicContact CB-CE2 4.22Å; K554-Y556 HydrophobicContact CB-CE2 3.63Å; K554-Y556 WeakPolarHBondContact O-CD2 3.42Å; K554-Y556 WeakPolarHBondContact O-CE2 3.37Å; Y556-F561 HydrophobicContact CD1-CD2 4.39Å; Y556-F561 HydrophobicContact CD2-CD2 4.05Å; Y556-F561 HydrophobicContact CD2-CE2 4.42Å; Y556-F561 AromaticContact CG-CD2 3.95Å; Y556-F561 HydrophobicContact CG-CD2 3.95Å; Y556-I583 HydrophobicContact CE1-CD1 4.28Å
557	H	85.7	Confident	81.4	Confident	45 Å²	45	53.1 Å²	53.1	21%	0.208	31%	0.305	C	S	.	.			trans	-69.9	145.4	164.7	-62.7	103.6	0	0	0	110	C537 C540 G559 C560 F561	C537-H557 WeakPolarHBondContact CB-CE1 3.27Å; C537-H557 WeakPolarHBondContact CB-ND1 3.43Å; C537-H557 PolarHBondContact SG-ND1 3.28Å; C540-H557 VanDerWaalsContact SG-CE1 3.54Å; C540-H557 PolarHBondContact SG-ND1 2.87Å; C540-H557 VanDerWaalsContact SG-ND1 3.37Å; H557-G559 PolarHBondContact O-N 3.35Å; H557-C560 HydrophobicContact CB-CB 4.01Å; H557-C560 PolarHBondContact O-N 2.84Å; H557-F561 PolarHBondContact O-N 2.89Å
558	P	82.5	Confident	82.4	Confident	39 Å²	39	53.2 Å²	53.2	25%	0.253	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-40.1	172.1	-27.3	34.8	0	0	0	113.3	M547 L549 C560 D571	M547-P558 WeakPolarHBondContact O-CD 3.48Å; L549-P558 HydrophobicContact CD1-CB 4.31Å; L549-P558 HydrophobicContact CD1-CG 4.48Å; L549-P558 HydrophobicContact CG-CG 4.31Å; P558-C560 VanDerWaalsContact C-N 3.3Å; P558-C560 PolarHBondContact O-N 3.31Å; P558-D571 HydrophobicContact CB-CB 4.5Å
559	G	81.5	Confident	83.2	Confident	41 Å²	41	52.1 Å²	52.1	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.2	176.3	0	0	0	0	0	115.9	H557 R562	H557-G559 PolarHBondContact O-N 3.35Å; G559-R562 PolarHBondContact O-NE 2.93Å; G559-R562 PolarHBondContact O-NH2 3.09Å
560	C	85.3	Confident	83.8	Confident	35 Å²	35	51 Å²	51	24%	0.236	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-25.1	175.3	-67.7	0	0	0	0	112.7	L539 H557 P558 R562	L539-C560 HydrophobicContact CB-CB 4.47Å; L539-C560 HydrophobicContact CD1-CB 4.2Å; L539-C560 WeakPolarHBondContact CD1-O 3.28Å; H557-C560 HydrophobicContact CB-CB 4.01Å; H557-C560 PolarHBondContact O-N 2.84Å; P558-C560 VanDerWaalsContact C-N 3.3Å; P558-C560 PolarHBondContact O-N 3.31Å; C560-R562 PolarHBondContact O-N 3.42Å
561	F	87.2	Confident	84.1	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	28%	0.282	C	S	.	.			trans	-75.3	91.3	-179.1	-169	-106.2	0	0	0	110.7	L549 A551 Y556 H557 C569 L570 F575 I583	L549-F561 HydrophobicContact CD1-CB 3.8Å; L549-F561 HydrophobicContact CD1-CD1 3.91Å; L549-F561 HydrophobicContact CD1-CG 4.01Å; A551-F561 HydrophobicContact CB-CE2 3.83Å; A551-F561 HydrophobicContact CB-CZ 4.16Å; Y556-F561 HydrophobicContact CD1-CD2 4.39Å; Y556-F561 HydrophobicContact CD2-CD2 4.05Å; Y556-F561 HydrophobicContact CD2-CE2 4.42Å; Y556-F561 AromaticContact CG-CD2 3.95Å; Y556-F561 HydrophobicContact CG-CD2 3.95Å; H557-F561 PolarHBondContact O-N 2.89Å; F561-C569 WeakPolarHBondContact O-CA 3.33Å; F561-L570 HydrophobicContact CD1-CB 3.8Å; F561-L570 HydrophobicContact CE1-CB 3.73Å; F561-L570 PolarHBondContact O-N 3.23Å; F561-F575 AromaticContact CE1-CD1 3.59Å; F561-F575 HydrophobicContact CE1-CD1 3.59Å; F561-F575 HydrophobicContact CE1-CD2 4.42Å; F561-F575 AromaticContact CE1-CE1 3.81Å; F561-F575 HydrophobicContact CE1-CE1 3.81Å; F561-F575 AromaticContact CE1-CG 3.93Å; F561-F575 HydrophobicContact CE1-CG 3.93Å; F561-F575 HydrophobicContact CE1-CZ 4.32Å; F561-F575 AromaticContact CZ-CD1 3.68Å; F561-F575 HydrophobicContact CZ-CD1 3.68Å; F561-F575 AromaticContact CZ-CD2 3.76Å; F561-F575 HydrophobicContact CZ-CD2 3.76Å; F561-F575 AromaticContact CZ-CE1 3.64Å; F561-F575 HydrophobicContact CZ-CE1 3.64Å; F561-F575 AromaticContact CZ-CE2 3.74Å; F561-F575 HydrophobicContact CZ-CE2 3.74Å; F561-F575 AromaticContact CZ-CG 3.74Å; F561-F575 HydrophobicContact CZ-CG 3.74Å; F561-F575 AromaticContact CZ-CZ 3.68Å; F561-F575 HydrophobicContact CZ-CZ 3.68Å; F561-I583 HydrophobicContact CD2-CD1 3.93Å; F561-I583 HydrophobicContact CE2-CD1 3.62Å; F561-I583 HydrophobicContact CE2-CG1 4.25Å; F561-I583 HydrophobicContact CE2-CG2 4.11Å; F561-I583 HydrophobicContact CZ-CG2 3.95Å
562	R	89.7	Confident	84.4	Confident	103 Å²	103	50.3 Å²	50.3	39%	0.389	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-130.1	152	-169.9	-66.9	174.3	-176.8	-86.8	-5.8	112.4	G559 C560 N567 E568 C569	G559-R562 PolarHBondContact O-NE 2.93Å; G559-R562 PolarHBondContact O-NH2 3.09Å; C560-R562 PolarHBondContact O-N 3.42Å; R562-N567 WeakPolarHBondContact CD-O 3.37Å; R562-N567 PolarHBondContact NH1-O 2.83Å; R562-E568 WeakPolarHBondContact CA-O 3.4Å; R562-E568 WeakPolarHBondContact CB-O 3.29Å; R562-C569 PolarHBondContact NH2-SG 3.36Å
563	C	89.3	Confident	84.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	31%	0.311	C	S	.	.			trans	-69.5	135.7	169.3	175.7	0	0	0	0	111.1	V565 C566 N567 E568 L570 I583 C585	C563-V565 PolarHBondContact O-N 3.2Å; C563-V565 PolarHBondContact SG-N 3.15Å; C563-C566 WeakPolarHBondContact CB-SG 3.4Å; C563-N567 WeakPolarHBondContact O-CA 3.33Å; C563-N567 PolarHBondContact O-N 2.91Å; C563-E568 PolarHBondContact N-O 2.75Å; C563-L570 HydrophobicContact CB-CD1 4.01Å; C563-L570 HydrophobicContact CB-CD2 4.17Å; C563-L570 HydrophobicContact CB-CG 4.36Å; C563-I583 WeakPolarHBondContact CA-O 3.38Å; C563-C585 HydrophobicContact CB-CB 4.29Å; C563-C585 PolarHBondContact SG-N 2.9Å; C563-C585 VanDerWaalsContact SG-N 3.36Å
564	V	88	Confident	85	Confident	79 Å²	79	50.2 Å²	50.2	48%	0.479	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.4	177.2	175.6	0	0	0	0	113.3	K582 I583 Y584	V564-K582 HydrophobicContact CG2-CB 4.4Å; V564-I583 WeakPolarHBondContact CG2-O 2.96Å; V564-I583 PolarHBondContact N-O 2.96Å; V564-Y584 HydrophobicContact CB-CE1 4.29Å
565	V	86.1	Confident	85.1	Confident	70 Å²	70	51.4 Å²	51.4	42%	0.424	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-69.5	-179	179.8	0	0	0	0	111.2	C563 N567 Y584 D588	C563-V565 PolarHBondContact O-N 3.2Å; C563-V565 PolarHBondContact SG-N 3.15Å; V565-N567 PolarHBondContact O-ND2 3.48Å; V565-Y584 HydrophobicContact CG2-CD1 3.86Å; V565-Y584 HydrophobicContact CG2-CE1 3.85Å; V565-D588 HydrophobicContact CB-CB 3.97Å; V565-D588 HydrophobicContact CG1-CB 4.1Å; V565-D588 HydrophobicContact CG2-CB 4.33Å
566	C	86.4	Confident	85.1	Confident	43 Å²	43	52.6 Å²	52.6	29%	0.291	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.7	-177.3	63.8	0	0	0	0	115.4	C563 E568 D588	C563-C566 WeakPolarHBondContact CB-SG 3.4Å; C566-E568 HydrophobicContact CB-CG 4.05Å; C566-E568 PolarHBondContact O-N 3.37Å; C566-E568 VanDerWaalsContact O-N 3.07Å; C566-E568 PolarHBondContact SG-OE2 3.12Å; C566-D588 VanDerWaalsContact CB-OD2 3.29Å; C566-D588 WeakPolarHBondContact CB-OD2 3.47Å; C566-D588 PolarHBondContact N-OD2 2.87Å
567	N	86.4	Confident	85.1	Confident	99 Å²	99	54.2 Å²	54.2	53%	0.529	33%	0.326	S	S	.	.			trans	58.4	8.8	-173.2	-66.8	-85.9	0	0	0	116	R562 C563 V565	R562-N567 WeakPolarHBondContact CD-O 3.37Å; R562-N567 PolarHBondContact NH1-O 2.83Å; C563-N567 WeakPolarHBondContact O-CA 3.33Å; C563-N567 PolarHBondContact O-N 2.91Å; V565-N567 PolarHBondContact O-ND2 3.48Å
568	E	86.3	Confident	85.1	Confident	87 Å²	87	54.1 Å²	54.1	41%	0.407	33%	0.327	S	S	.	.			trans	-62.3	145.3	170.2	-63.3	169.6	140.3	0	0	110.6	R562 C563 C566 R587	R562-E568 WeakPolarHBondContact CA-O 3.4Å; R562-E568 WeakPolarHBondContact CB-O 3.29Å; C563-E568 PolarHBondContact N-O 2.75Å; C566-E568 HydrophobicContact CB-CG 4.05Å; C566-E568 PolarHBondContact O-N 3.37Å; C566-E568 VanDerWaalsContact O-N 3.07Å; C566-E568 PolarHBondContact SG-OE2 3.12Å; E568-R587 IonicContact OE1-NH2 2.77Å; E568-R587 PolarHBondContact OE1-NH2 2.71Å; E568-R587 IonicContact OE2-CZ 2.73Å; E568-R587 IonicContact OE2-NH2 3.97Å; E568-R587 PolarHBondContact OE2-NH2 3.47Å
569	C	86	Confident	85.1	Confident	54 Å²	54	56.9 Å²	56.9	37%	0.365	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-69.2	134.8	170.1	-58.3	0	0	0	0	109.5	F561 R562	F561-C569 WeakPolarHBondContact O-CA 3.33Å; R562-C569 PolarHBondContact NH2-SG 3.36Å
570	L	85	Confident	85.2	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.021	35%	0.354	C	S	.	.			trans	-102.8	26.7	-179.5	-50.5	-178.1	0	0	0	112.6	F561 C563 G572 V573 F575 I583 C585	F561-L570 HydrophobicContact CD1-CB 3.8Å; F561-L570 HydrophobicContact CE1-CB 3.73Å; F561-L570 PolarHBondContact O-N 3.23Å; C563-L570 HydrophobicContact CB-CD1 4.01Å; C563-L570 HydrophobicContact CB-CD2 4.17Å; C563-L570 HydrophobicContact CB-CG 4.36Å; L570-G572 PolarHBondContact O-N 3.28Å; L570-V573 HydrophobicContact CB-CB 4.4Å; L570-V573 HydrophobicContact CD2-CG1 4.45Å; L570-V573 PolarHBondContact O-N 2.88Å; L570-F575 HydrophobicContact CB-CB 4.38Å; L570-F575 HydrophobicContact CD1-CB 3.65Å; L570-I583 HydrophobicContact CD1-CG2 3.75Å; L570-C585 HydrophobicContact CD1-CB 4.35Å; L570-C585 HydrophobicContact CD2-CB 3.67Å
571	D	83.2	Confident	85.1	Confident	58 Å²	58	63.2 Å²	63.2	31%	0.31	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	119.5	175.1	-173.6	20.1	0	0	0	110.4	R30 L549 P558 V573	R30-D571 IonicContact CZ-OD1 3.72Å; R30-D571 IonicContact NH2-OD1 3.13Å; R30-D571 PolarHBondContact NH2-OD1 2.82Å; R30-D571 IonicContact NH2-OD2 3.28Å; R30-D571 PolarHBondContact NH2-OD2 2.95Å; L549-D571 HydrophobicContact CD1-CB 4.07Å; P558-D571 HydrophobicContact CB-CB 4.5Å; D571-V573 PolarHBondContact O-N 2.87Å
572	G	78.1	Confident	85	Confident	71 Å²	71	67.2 Å²	67.2	73%	0.732	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	2.9	-173.9	0	0	0	0	0	115.2	L570	L570-G572 PolarHBondContact O-N 3.28Å
573	V	81.8	Confident	84.8	Confident	68 Å²	68	62.8 Å²	62.8	41%	0.412	37%	0.367	S	S	.	.	S	Bend	trans	-103.4	135.6	179.5	-175.7	0	0	0	0	109.1	L570 D571 F575	L570-V573 HydrophobicContact CB-CB 4.4Å; L570-V573 HydrophobicContact CD2-CG1 4.45Å; L570-V573 PolarHBondContact O-N 2.88Å; D571-V573 PolarHBondContact O-N 2.87Å; V573-F575 PolarHBondContact O-N 3.15Å
574	P	81.3	Confident	84.7	Confident	87 Å²	87	63.8 Å²	63.8	57%	0.565	37%	0.371	S	S	*	.			trans	-60.6	132.9	173.2	26	-34.5	0	0	0	110.6	V586	P574-V586 HydrophobicContact CB-CG2 4.04Å; P574-V586 HydrophobicContact CG-CG2 4.38Å
575	F	86.1	Confident	84.7	Confident	80 Å²	80	60.2 Å²	60.2	35%	0.351	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.4	-176.9	68.1	-93.5	0	0	0	110.1	A551 F561 L570 V573 V577 I583 Y584	A551-F575 HydrophobicContact CB-CE2 4.25Å; A551-F575 HydrophobicContact CB-CZ 3.92Å; F561-F575 AromaticContact CE1-CD1 3.59Å; F561-F575 HydrophobicContact CE1-CD1 3.59Å; F561-F575 HydrophobicContact CE1-CD2 4.42Å; F561-F575 AromaticContact CE1-CE1 3.81Å; F561-F575 HydrophobicContact CE1-CE1 3.81Å; F561-F575 AromaticContact CE1-CG 3.93Å; F561-F575 HydrophobicContact CE1-CG 3.93Å; F561-F575 HydrophobicContact CE1-CZ 4.32Å; F561-F575 AromaticContact CZ-CD1 3.68Å; F561-F575 HydrophobicContact CZ-CD1 3.68Å; F561-F575 AromaticContact CZ-CD2 3.76Å; F561-F575 HydrophobicContact CZ-CD2 3.76Å; F561-F575 AromaticContact CZ-CE1 3.64Å; F561-F575 HydrophobicContact CZ-CE1 3.64Å; F561-F575 AromaticContact CZ-CE2 3.74Å; F561-F575 HydrophobicContact CZ-CE2 3.74Å; F561-F575 AromaticContact CZ-CG 3.74Å; F561-F575 HydrophobicContact CZ-CG 3.74Å; F561-F575 AromaticContact CZ-CZ 3.68Å; F561-F575 HydrophobicContact CZ-CZ 3.68Å; L570-F575 HydrophobicContact CB-CB 4.38Å; L570-F575 HydrophobicContact CD1-CB 3.65Å; V573-F575 PolarHBondContact O-N 3.15Å; F575-V577 HydrophobicContact CD2-CG2 3.96Å; F575-V577 HydrophobicContact CE2-CG2 3.96Å; F575-I583 HydrophobicContact CD2-CG2 4.41Å; F575-Y584 WeakPolarHBondContact CA-O 3.34Å; F575-Y584 WeakPolarHBondContact CB-O 3.43Å
576	T	84.8	Confident	84.6	Confident	32 Å²	32	59.1 Å²	59.1	20%	0.196	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	162.3	172.6	56.6	0	0	0	0	109.9	Y584 V586 Y589	T576-Y584 PolarHBondContact N-O 2.96Å; T576-Y584 PolarHBondContact O-N 2.93Å; T576-V586 HydrophobicContact CG2-CG2 4.2Å; T576-Y589 HydrophobicContact CG2-CD1 3.74Å; T576-Y589 HydrophobicContact CG2-CE1 4.04Å; T576-Y589 HydrophobicContact CG2-CG 4.26Å; T576-Y589 WeakPolarHBondContact OG1-CB 3.47Å; T576-Y589 VanDerWaalsContact OG1-CD1 3.26Å; T576-Y589 WeakPolarHBondContact OG1-CD1 3.4Å; T576-Y589 VanDerWaalsContact OG1-CD2 3.27Å; T576-Y589 WeakPolarHBondContact OG1-CD2 3.4Å
577	V	86.6	Confident	84.3	Confident	39 Å²	39	63.8 Å²	63.8	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.9	179.9	-179.3	0	0	0	0	109.2	L552 F575 K582 I583	L552-V577 HydrophobicContact CD1-CB 4.33Å; L552-V577 HydrophobicContact CD1-CG1 3.56Å; L552-V577 HydrophobicContact CD1-CG2 4Å; L552-V577 HydrophobicContact CD2-CB 3.98Å; L552-V577 HydrophobicContact CD2-CG1 3.81Å; L552-V577 HydrophobicContact CD2-CG2 3.93Å; L552-V577 HydrophobicContact CG-CG1 4.25Å; L552-V577 HydrophobicContact CG-CG2 4.2Å; F575-V577 HydrophobicContact CD2-CG2 3.96Å; F575-V577 HydrophobicContact CE2-CG2 3.96Å; V577-K582 WeakPolarHBondContact CA-O 3.35Å; V577-I583 HydrophobicContact CG2-CG1 4.28Å
578	D	85.1	Confident	84.2	Confident	42 Å²	42	59.5 Å²	59.5	23%	0.225	33%	0.331	C	S	.	.			trans	-90.6	171.8	-178.1	-165.1	0.7	0	0	0	111.8	E580 N581 K582 Y584	D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 2.72Å; D578-E580 VanDerWaalsContact O-N 3.16Å; D578-N581 WeakPolarHBondContact O-CA 3.36Å; D578-N581 PolarHBondContact O-N 3.4Å; D578-K582 HydrophobicContact CB-CB 4.47Å; D578-K582 PolarHBondContact N-O 2.8Å; D578-K582 VanDerWaalsContact N-O 3.07Å; D578-Y584 HydrophobicContact CB-CD2 4.11Å; D578-Y584 HydrophobicContact CB-CE2 3.55Å
579	S	83.8	Confident	84.1	Confident	97 Å²	97	58 Å²	58	68%	0.678	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-33	-170.9	76.7	0	0	0	0	113.8	N581	S579-N581 PolarHBondContact O-N 3.27Å
580	E	83.8	Confident	83.8	Confident	121 Å²	121	57.6 Å²	57.6	57%	0.565	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	17.8	174.9	-53.5	85.2	167.5	0	0	113.6	D578 K582	D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 2.72Å; D578-E580 VanDerWaalsContact O-N 3.16Å; E580-K582 HydrophobicContact CB-CD 4.22Å; E580-K582 HydrophobicContact CB-CG 4.33Å; E580-K582 PolarHBondContact O-N 3.08Å
581	N	81.8	Confident	83.3	Confident	88 Å²	88	61.8 Å²	61.8	47%	0.471	33%	0.332	S	S	.	.			trans	57.2	27.7	-176	-49.9	151.3	0	0	0	114.6	L552 D578 S579	L552-N581 HydrophobicContact CD1-CB 4.39Å; D578-N581 WeakPolarHBondContact O-CA 3.36Å; D578-N581 PolarHBondContact O-N 3.4Å; S579-N581 PolarHBondContact O-N 3.27Å
582	K	85.4	Confident	82.8	Confident	88 Å²	88	62.9 Å²	62.9	38%	0.383	34%	0.341	S	S	.	.			trans	-77.4	133.4	172.6	-66.7	163.1	-179	-75.7	0	109.3	V564 V577 D578 E580 Y584	V564-K582 HydrophobicContact CG2-CB 4.4Å; V577-K582 WeakPolarHBondContact CA-O 3.35Å; D578-K582 HydrophobicContact CB-CB 4.47Å; D578-K582 PolarHBondContact N-O 2.8Å; D578-K582 VanDerWaalsContact N-O 3.07Å; E580-K582 HydrophobicContact CB-CD 4.22Å; E580-K582 HydrophobicContact CB-CG 4.33Å; E580-K582 PolarHBondContact O-N 3.08Å; K582-Y584 HydrophobicContact CB-CD2 4.32Å; K582-Y584 HydrophobicContact CB-CE2 3.52Å; K582-Y584 WeakPolarHBondContact CD-OH 3.44Å; K582-Y584 WeakPolarHBondContact O-CD2 3.19Å
583	I	86.1	Confident	82.6	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.051	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.1	-178	-59.7	156	0	0	0	109.3	Y556 F561 C563 V564 L570 F575 V577	Y556-I583 HydrophobicContact CE1-CD1 4.28Å; F561-I583 HydrophobicContact CD2-CD1 3.93Å; F561-I583 HydrophobicContact CE2-CD1 3.62Å; F561-I583 HydrophobicContact CE2-CG1 4.25Å; F561-I583 HydrophobicContact CE2-CG2 4.11Å; F561-I583 HydrophobicContact CZ-CG2 3.95Å; C563-I583 WeakPolarHBondContact CA-O 3.38Å; V564-I583 WeakPolarHBondContact CG2-O 2.96Å; V564-I583 PolarHBondContact N-O 2.96Å; L570-I583 HydrophobicContact CD1-CG2 3.75Å; F575-I583 HydrophobicContact CD2-CG2 4.41Å; V577-I583 HydrophobicContact CG2-CG1 4.28Å
584	Y	86.8	Confident	82.4	Confident	23 Å²	23	61.8 Å²	61.8	9%	0.09	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.7	179.2	-59.9	-84.2	0	0	0	111.1	V564 V565 F575 T576 D578 K582 Y589	V564-Y584 HydrophobicContact CB-CE1 4.29Å; V565-Y584 HydrophobicContact CG2-CD1 3.86Å; V565-Y584 HydrophobicContact CG2-CE1 3.85Å; F575-Y584 WeakPolarHBondContact CA-O 3.34Å; F575-Y584 WeakPolarHBondContact CB-O 3.43Å; T576-Y584 PolarHBondContact N-O 2.96Å; T576-Y584 PolarHBondContact O-N 2.93Å; D578-Y584 HydrophobicContact CB-CD2 4.11Å; D578-Y584 HydrophobicContact CB-CE2 3.55Å; K582-Y584 HydrophobicContact CB-CD2 4.32Å; K582-Y584 HydrophobicContact CB-CE2 3.52Å; K582-Y584 WeakPolarHBondContact CD-OH 3.44Å; K582-Y584 WeakPolarHBondContact O-CD2 3.19Å; Y584-Y589 HydrophobicContact CD2-CD2 4.01Å; Y584-Y589 HydrophobicContact CG-CD2 4.31Å
585	C	88.6	Confident	82.4	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	149.4	162.2	77.2	0	0	0	0	108.6	C563 L570 R587 D588 Y589	C563-C585 HydrophobicContact CB-CB 4.29Å; C563-C585 PolarHBondContact SG-N 2.9Å; C563-C585 VanDerWaalsContact SG-N 3.36Å; L570-C585 HydrophobicContact CD1-CB 4.35Å; L570-C585 HydrophobicContact CD2-CB 3.67Å; C585-R587 PolarHBondContact O-N 3.27Å; C585-R587 VanDerWaalsContact O-N 3.16Å; C585-D588 PolarHBondContact O-N 3.34Å; C585-D588 VanDerWaalsContact SG-CG 3.55Å; C585-D588 PolarHBondContact SG-N 2.88Å; C585-D588 VanDerWaalsContact SG-N 3.4Å; C585-Y589 WeakPolarHBondContact O-CB 3.35Å; C585-Y589 PolarHBondContact O-N 3.44Å
586	V	83.6	Confident	82.4	Confident	47 Å²	47	63 Å²	63	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-52.1	-42	-179.3	176.5	0	0	0	0	111.5	P574 T576 D588 Y589 H590	P574-V586 HydrophobicContact CB-CG2 4.04Å; P574-V586 HydrophobicContact CG-CG2 4.38Å; T576-V586 HydrophobicContact CG2-CG2 4.2Å; V586-D588 VanDerWaalsContact C-N 3.32Å; V586-D588 PolarHBondContact O-N 3.14Å; V586-Y589 PolarHBondContact O-N 3.38Å; V586-H590 PolarHBondContact O-N 3.15Å
587	R	80.4	Confident	82.5	Confident	142 Å²	142	61.5 Å²	61.5	54%	0.536	31%	0.309	S	S	.	.	H	α-helix	trans	-55.5	-43.3	178.7	-51.1	-171.6	-62.6	177.4	-3.8	113	E568 C585 K591	E568-R587 IonicContact OE1-NH2 2.77Å; E568-R587 PolarHBondContact OE1-NH2 2.71Å; E568-R587 IonicContact OE2-CZ 2.73Å; E568-R587 IonicContact OE2-NH2 3.97Å; E568-R587 PolarHBondContact OE2-NH2 3.47Å; C585-R587 PolarHBondContact O-N 3.27Å; C585-R587 VanDerWaalsContact O-N 3.16Å; R587-K591 WeakPolarHBondContact O-CD 3.47Å; R587-K591 VanDerWaalsContact O-CE 3.29Å; R587-K591 WeakPolarHBondContact O-CE 3.49Å; R587-K591 VanDerWaalsContact O-CG 3.28Å; R587-K591 WeakPolarHBondContact O-CG 3.46Å; R587-K591 PolarHBondContact O-N 2.96Å
588	D	83.7	Confident	82.5	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-89.7	-31.4	-175	-69.2	-16.2	0	0	0	112	V565 C566 C585 V586 H590 K591 V592	V565-D588 HydrophobicContact CB-CB 3.97Å; V565-D588 HydrophobicContact CG1-CB 4.1Å; V565-D588 HydrophobicContact CG2-CB 4.33Å; C566-D588 VanDerWaalsContact CB-OD2 3.29Å; C566-D588 WeakPolarHBondContact CB-OD2 3.47Å; C566-D588 PolarHBondContact N-OD2 2.87Å; C585-D588 PolarHBondContact O-N 3.34Å; C585-D588 VanDerWaalsContact SG-CG 3.55Å; C585-D588 PolarHBondContact SG-N 2.88Å; C585-D588 VanDerWaalsContact SG-N 3.4Å; V586-D588 VanDerWaalsContact C-N 3.32Å; V586-D588 PolarHBondContact O-N 3.14Å; D588-H590 VanDerWaalsContact C-N 3.32Å; D588-H590 PolarHBondContact O-N 2.88Å; D588-K591 WeakPolarHBondContact O-CB 3.4Å; D588-K591 PolarHBondContact O-N 3.28Å; D588-K591 VanDerWaalsContact O-N 3.08Å; D588-K591 IonicContact OD1-NZ 2.94Å; D588-K591 PolarHBondContact OD1-NZ 2.73Å; D588-V592 WeakPolarHBondContact O-CG2 3.29Å; D588-V592 PolarHBondContact O-N 3.03Å
589	Y	84.9	Confident	82.4	Confident	56 Å²	56	62.7 Å²	62.7	22%	0.22	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-47.9	169.9	-175.5	-116.5	0	0	0	111.1	T576 Y584 C585 V586 K591 V592 L593	T576-Y589 HydrophobicContact CG2-CD1 3.74Å; T576-Y589 HydrophobicContact CG2-CE1 4.04Å; T576-Y589 HydrophobicContact CG2-CG 4.26Å; T576-Y589 WeakPolarHBondContact OG1-CB 3.47Å; T576-Y589 VanDerWaalsContact OG1-CD1 3.26Å; T576-Y589 WeakPolarHBondContact OG1-CD1 3.4Å; T576-Y589 VanDerWaalsContact OG1-CD2 3.27Å; T576-Y589 WeakPolarHBondContact OG1-CD2 3.4Å; Y584-Y589 HydrophobicContact CD2-CD2 4.01Å; Y584-Y589 HydrophobicContact CG-CD2 4.31Å; C585-Y589 WeakPolarHBondContact O-CB 3.35Å; C585-Y589 PolarHBondContact O-N 3.44Å; V586-Y589 PolarHBondContact O-N 3.38Å; Y589-K591 VanDerWaalsContact C-N 3.3Å; Y589-K591 PolarHBondContact O-N 3.28Å; Y589-V592 WeakPolarHBondContact O-CG2 3.33Å; Y589-V592 PolarHBondContact O-N 3.13Å; Y589-L593 HydrophobicContact CD2-CD1 4.04Å; Y589-L593 HydrophobicContact CE1-CD1 4.01Å; Y589-L593 HydrophobicContact CE2-CD1 3.46Å; Y589-L593 VanDerWaalsContact CE2-CD1 3.46Å; Y589-L593 HydrophobicContact CE2-CG 4.41Å; Y589-L593 VanDerWaalsContact CZ-CD1 3.42Å; Y589-L593 PolarHBondContact O-N 3.11Å; Y589-L593 VanDerWaalsContact O-N 3.13Å
590	H	78.3	Confident	82.5	Confident	45 Å²	45	60.8 Å²	60.8	21%	0.208	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-32.7	175.2	-66.1	-178.9	0	0	0	111.5	V586 D588 A594 D611	V586-H590 PolarHBondContact O-N 3.15Å; D588-H590 VanDerWaalsContact C-N 3.32Å; D588-H590 PolarHBondContact O-N 2.88Å; H590-A594 WeakPolarHBondContact O-CA 3.49Å; H590-A594 WeakPolarHBondContact O-CB 3.28Å; H590-A594 PolarHBondContact O-N 2.93Å; H590-D611 IonicContact CE1-OD1 2.97Å
591	K	76.5	Confident	82.3	Confident	91 Å²	91	57.4 Å²	57.4	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-69	-36.4	174.3	-70.2	166.3	-155.3	161.4	0	114.9	R587 D588 Y589 L605	R587-K591 WeakPolarHBondContact O-CD 3.47Å; R587-K591 VanDerWaalsContact O-CE 3.29Å; R587-K591 WeakPolarHBondContact O-CE 3.49Å; R587-K591 VanDerWaalsContact O-CG 3.28Å; R587-K591 WeakPolarHBondContact O-CG 3.46Å; R587-K591 PolarHBondContact O-N 2.96Å; D588-K591 WeakPolarHBondContact O-CB 3.4Å; D588-K591 PolarHBondContact O-N 3.28Å; D588-K591 VanDerWaalsContact O-N 3.08Å; D588-K591 IonicContact OD1-NZ 2.94Å; D588-K591 PolarHBondContact OD1-NZ 2.73Å; Y589-K591 VanDerWaalsContact C-N 3.3Å; Y589-K591 PolarHBondContact O-N 3.28Å; K591-L605 HydrophobicContact CB-CD2 4.33Å; K591-L605 HydrophobicContact CG-CD1 3.95Å; K591-L605 HydrophobicContact CG-CD2 3.7Å; K591-L605 HydrophobicContact CG-CG 4.49Å
592	V	71.9	Confident	82.3	Confident	81 Å²	81	58.3 Å²	58.3	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-80.6	-25.4	179.3	-70.5	0	0	0	0	113.3	D588 Y589	D588-V592 WeakPolarHBondContact O-CG2 3.29Å; D588-V592 PolarHBondContact O-N 3.03Å; Y589-V592 WeakPolarHBondContact O-CG2 3.33Å; Y589-V592 PolarHBondContact O-N 3.13Å
593	L	74.5	Confident	82.2	Confident	100 Å²	100	56.1 Å²	56.1	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-101.3	-13	178.5	-60.3	-174.9	0	0	0	114.7	Y589	Y589-L593 HydrophobicContact CD2-CD1 4.04Å; Y589-L593 HydrophobicContact CE1-CD1 4.01Å; Y589-L593 HydrophobicContact CE2-CD1 3.46Å; Y589-L593 VanDerWaalsContact CE2-CD1 3.46Å; Y589-L593 HydrophobicContact CE2-CG 4.41Å; Y589-L593 VanDerWaalsContact CZ-CD1 3.42Å; Y589-L593 PolarHBondContact O-N 3.11Å; Y589-L593 VanDerWaalsContact O-N 3.13Å
594	A	77.6	Confident	82	Confident	16 Å²	16	55.8 Å²	55.8	13%	0.132	31%	0.31	C	S	.	.	S	Bend	trans	-60.5	133.6	-179.8	0	0	0	0	0	112.1	H590 P603 I604 L605	H590-A594 WeakPolarHBondContact O-CA 3.49Å; H590-A594 WeakPolarHBondContact O-CB 3.28Å; H590-A594 PolarHBondContact O-N 2.93Å; A594-P603 HydrophobicContact CB-CB 3.71Å; A594-I604 WeakPolarHBondContact CB-O 3.33Å; A594-L605 HydrophobicContact CB-CD2 4.11Å
595	P	80.6	Confident	81.5	Confident	40 Å²	40	58.2 Å²	58.2	26%	0.26	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-54.6	140.4	163	-21.9	33	0	0	0	110.5	I604 D622	P595-I604 PolarHBondContact O-N 3.14Å; P595-D622 HydrophobicContact CB-CB 3.89Å; P595-D622 WeakPolarHBondContact CB-OD2 3.4Å
596	K	85.6	Confident	80.8	Confident	152 Å²	152	59.2 Å²	59.2	66%	0.661	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-93.3	131	178.5	-63.8	-179.9	-174.5	177	0	109.2	A598 L602	K596-A598 PolarHBondContact O-N 2.95Å; K596-L602 WeakPolarHBondContact CA-O 3.45Å
597	C	87.5	Confident	80.2	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.014	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.8	125.3	176.8	172	0	0	0	0	110.5	A599 G601 L602 I604 D622 H624 C627	C597-A599 PolarHBondContact O-N 3.26Å; C597-G601 VanDerWaalsContact O-CA 3.27Å; C597-G601 WeakPolarHBondContact O-CA 3.21Å; C597-G601 PolarHBondContact O-N 3.39Å; C597-L602 PolarHBondContact N-O 3.44Å; C597-I604 HydrophobicContact CB-CD1 4.1Å; C597-I604 HydrophobicContact CB-CG1 3.93Å; C597-D622 CarbonylContact C-O 3.57Å; C597-D622 VanDerWaalsContact CA-O 3.29Å; C597-D622 WeakPolarHBondContact CA-O 3.5Å; C597-H624 VanDerWaalsContact CB-CE1 3.43Å; C597-H624 WeakPolarHBondContact CB-CE1 3.48Å; C597-H624 WeakPolarHBondContact CB-ND1 3.28Å; C597-C627 VanDerWaalsContact SG-CB 3.55Å
598	A	85.9	Confident	79.4	Confident	43 Å²	43	63.9 Å²	63.9	36%	0.355	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.1	-176.7	0	0	0	0	0	114.2	K596 R621 D622 Y623	K596-A598 PolarHBondContact O-N 2.95Å; A598-R621 HydrophobicContact CB-CB 3.89Å; A598-R621 HydrophobicContact CB-CG 4.17Å; A598-D622 PolarHBondContact N-O 3.22Å; A598-Y623 HydrophobicContact CB-CE1 3.9Å; A598-Y623 HydrophobicContact CB-CE2 4.49Å
599	A	83.9	Confident	78.4	Confident	63 Å²	63	67.6 Å²	67.6	52%	0.521	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-43.3	178.9	0	0	0	0	0	113.7	C597 Y623 C627	C597-A599 PolarHBondContact O-N 3.26Å; A599-Y623 HydrophobicContact CB-CD1 4.08Å; A599-Y623 HydrophobicContact CB-CE1 4.22Å; A599-C627 HydrophobicContact CB-CB 4.13Å
600	C	85.3	Confident	77.5	Confident	57 Å²	57	67.4 Å²	67.4	39%	0.385	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-7.2	-176.3	71.6	0	0	0	0	115	L602 H624	C600-L602 PolarHBondContact O-N 3.35Å; C600-L602 VanDerWaalsContact O-N 3.12Å; C600-H624 PolarHBondContact SG-CE1 3.12Å; C600-H624 PolarHBondContact SG-ND1 2.81Å; C600-H624 VanDerWaalsContact SG-ND1 3.37Å
601	G	80	Confident	76.8	Confident	49 Å²	49	71.7 Å²	71.7	51%	0.505	43%	0.434	S	S	.	.			trans	73.2	-7.8	178.7	0	0	0	0	0	116	C597	C597-G601 VanDerWaalsContact O-CA 3.27Å; C597-G601 WeakPolarHBondContact O-CA 3.21Å; C597-G601 PolarHBondContact O-N 3.39Å
602	L	82.1	Confident	76.5	Confident	108 Å²	108	74.8 Å²	74.8	57%	0.565	45%	0.45	S	S	*	.			trans	-77.6	148.1	-179.7	-60.3	178.4	0	0	0	111.7	K596 C597 C600	K596-L602 WeakPolarHBondContact CA-O 3.45Å; C597-L602 PolarHBondContact N-O 3.44Å; C600-L602 PolarHBondContact O-N 3.35Å; C600-L602 VanDerWaalsContact O-N 3.12Å
603	P	82.1	Confident	76.5	Confident	42 Å²	42	73.4 Å²	73.4	27%	0.273	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-66.4	133.6	173.8	27.8	-33.4	0	0	0	110.9	A594 L605	A594-P603 HydrophobicContact CB-CB 3.71Å; P603-L605 HydrophobicContact CB-CD2 4.19Å; P603-L605 HydrophobicContact CG-CD2 4.39Å; P603-L605 PolarHBondContact O-N 3.1Å; P603-L605 VanDerWaalsContact O-N 3.15Å
604	I	82	Confident	76.8	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.015	45%	0.446	C	S	.	.			trans	-80.6	96.4	177.5	-53.8	167.2	0	0	0	108.4	A594 P595 C597 R615 D622	A594-I604 WeakPolarHBondContact CB-O 3.33Å; P595-I604 PolarHBondContact O-N 3.14Å; C597-I604 HydrophobicContact CB-CD1 4.1Å; C597-I604 HydrophobicContact CB-CG1 3.93Å; I604-R615 HydrophobicContact CD1-CB 3.96Å; I604-R615 HydrophobicContact CG2-CB 3.98Å; I604-D622 HydrophobicContact CD1-CB 3.63Å
605	L	77.4	Confident	77.1	Confident	74 Å²	74	78.5 Å²	78.5	39%	0.387	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-86.7	146.6	179.1	-56	-177.6	0	0	0	110.9	K591 A594 P603	K591-L605 HydrophobicContact CB-CD2 4.33Å; K591-L605 HydrophobicContact CG-CD1 3.95Å; K591-L605 HydrophobicContact CG-CD2 3.7Å; K591-L605 HydrophobicContact CG-CG 4.49Å; A594-L605 HydrophobicContact CB-CD2 4.11Å; P603-L605 HydrophobicContact CB-CD2 4.19Å; P603-L605 HydrophobicContact CG-CD2 4.39Å; P603-L605 PolarHBondContact O-N 3.1Å; P603-L605 VanDerWaalsContact O-N 3.15Å
606	P	73.8	Confident	77.4	Confident	23 Å²	23	78.3 Å²	78.3	15%	0.149	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-70.3	147.1	170.2	31.2	-32.3	0	0	0	109.8	S610 T613	P606-S610 WeakPolarHBondContact CB-O 3.23Å; P606-T613 HydrophobicContact CB-CG2 3.81Å; P606-T613 HydrophobicContact CG-CG2 4.01Å
607	P	71.1	Confident	77.5	Confident	80 Å²	80	75 Å²	75	52%	0.519	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-66.8	152.9	178	25.2	-29.9	0	0	0	111.8	G609 S610	P607-G609 PolarHBondContact O-N 2.91Å; P607-S610 WeakPolarHBondContact CD-OG 3.46Å; P607-S610 WeakPolarHBondContact CG-OG 3.16Å; P607-S610 PolarHBondContact O-N 2.81Å; P607-S610 PolarHBondContact O-OG 3.21Å
608	E	63.3	Low	77.2	Confident	207 Å²	207	76 Å²	76	97%	0.967	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	94.5	-170.6	-60.9	-168.3	160.3	0	0	112.3
609	G	62.9	Low	77.1	Confident	88 Å²	88	77 Å²	77	91%	0.907	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.9	-11.8	179.2	0	0	0	0	0	115.1	P607	P607-G609 PolarHBondContact O-N 2.91Å
610	S	65.9	Low	77	Confident	52 Å²	52	81.9 Å²	81.9	36%	0.364	47%	0.471	S	S	.	.			trans	-116.6	144.5	174.7	58.9	0	0	0	0	111.8	P606 P607 E612	P606-S610 WeakPolarHBondContact CB-O 3.23Å; P607-S610 WeakPolarHBondContact CD-OG 3.46Å; P607-S610 WeakPolarHBondContact CG-OG 3.16Å; P607-S610 PolarHBondContact O-N 2.81Å; P607-S610 PolarHBondContact O-OG 3.21Å; S610-E612 VanDerWaalsContact C-N 3.34Å
611	D	62.4	Low	77.1	Confident	134 Å²	134	83.7 Å²	83.7	72%	0.717	47%	0.47	S	S	*	.	S	Bend	trans	-84.6	-11.1	172.6	-155.1	35.8	0	0	0	112.5	H590	H590-D611 IonicContact CE1-OD1 2.97Å
612	E	69.9	Low	77.5	Confident	157 Å²	157	83 Å²	83	73%	0.734	45%	0.454	S	S	*	.			trans	-86.9	126.1	-177.6	-61.5	-171.1	157.5	0	0	112.3	S610 I614	S610-E612 VanDerWaalsContact C-N 3.34Å; E612-I614 PolarHBondContact O-N 3.43Å
613	T	72.7	Confident	77.7	Confident	51 Å²	51	78.3 Å²	78.3	31%	0.313	43%	0.429	S	S	.	.			trans	-89.2	96.7	174.9	42.5	0	0	0	0	111.2	P606 R615	P606-T613 HydrophobicContact CB-CG2 3.81Å; P606-T613 HydrophobicContact CG-CG2 4.01Å; T613-R615 PolarHBondContact O-N 3.3Å; T613-R615 PolarHBondContact OG1-NH1 3.17Å
614	I	80.2	Confident	78	Confident	123 Å²	123	78.3 Å²	78.3	63%	0.631	43%	0.425	S	S	*	.			trans	-68.5	114.7	172	-54.5	178.2	0	0	0	109	E612 V625	E612-I614 PolarHBondContact O-N 3.43Å; I614-V625 HydrophobicContact CG2-CG2 3.91Å
615	R	85.5	Confident	78.2	Confident	101 Å²	101	82 Å²	82	38%	0.381	45%	0.448	S	S	.	.			trans	-148.3	147.5	178	69.8	-167.2	-164.4	-84.8	-4.9	110.6	I604 T613 V617 D622 Y623	I604-R615 HydrophobicContact CD1-CB 3.96Å; I604-R615 HydrophobicContact CG2-CB 3.98Å; T613-R615 PolarHBondContact O-N 3.3Å; T613-R615 PolarHBondContact OG1-NH1 3.17Å; R615-V617 HydrophobicContact CG-CG2 4.46Å; R615-D622 WeakPolarHBondContact CD-OD1 3.5Å; R615-D622 IonicContact CZ-OD1 3.02Å; R615-D622 IonicContact NE-OD1 3.11Å; R615-D622 PolarHBondContact NE-OD1 2.95Å; R615-D622 IonicContact NH2-OD1 3.67Å; R615-Y623 WeakPolarHBondContact CA-O 3.42Å
616	V	86.4	Confident	78.6	Confident	36 Å²	36	86.3 Å²	86.3	22%	0.218	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	173.5	-171.8	0	0	0	0	108.8	D622 Y623 V625 Y628	V616-D622 CarbonylContact O-C 3.53Å; V616-D622 WeakPolarHBondContact O-CA 3.5Å; V616-Y623 PolarHBondContact N-O 3.32Å; V616-Y623 PolarHBondContact O-N 3.48Å; V616-V625 HydrophobicContact CG2-CG2 4.42Å; V616-Y628 HydrophobicContact CB-CD1 4.19Å; V616-Y628 HydrophobicContact CB-CD2 4.31Å; V616-Y628 HydrophobicContact CB-CG 4.05Å; V616-Y628 HydrophobicContact CG1-CD1 3.72Å; V616-Y628 HydrophobicContact CG1-CD2 3.9Å; V616-Y628 HydrophobicContact CG1-CE1 3.62Å; V616-Y628 HydrophobicContact CG1-CE2 3.81Å; V616-Y628 HydrophobicContact CG1-CG 3.85Å; V616-Y628 HydrophobicContact CG2-CD1 4.03Å; V616-Y628 HydrophobicContact CG2-CG 4.19Å
617	V	87	Confident	79.2	Confident	83 Å²	83	86.3 Å²	86.3	50%	0.503	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.2	176.5	-174	0	0	0	0	108.7	R615 R621	R615-V617 HydrophobicContact CG-CG2 4.46Å; V617-R621 WeakPolarHBondContact CA-O 3.48Å
618	S	82.4	Confident	80	Confident	21 Å²	21	83.2 Å²	83.2	15%	0.147	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	139.4	177.6	-80.8	0	0	0	0	110.3	D620 R621 Y628	S618-D620 PolarHBondContact O-N 3Å; S618-R621 PolarHBondContact N-O 3.15Å; S618-R621 WeakPolarHBondContact O-CB 3.45Å; S618-R621 PolarHBondContact O-N 2.84Å; S618-Y628 PolarHBondContact OG-OH 2.86Å
619	M	83	Confident	81.2	Confident	65 Å²	65	76.8 Å²	76.8	32%	0.32	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	39.2	-174.7	-52.3	-171.6	72.1	0	0	114	R621 P647 D650	M619-R621 PolarHBondContact O-N 3.28Å; M619-R621 VanDerWaalsContact O-N 3.08Å; M619-P647 HydrophobicContact CE-CB 4.06Å; M619-P647 HydrophobicContact CG-CB 3.53Å; M619-P647 HydrophobicContact CG-CG 4.22Å; M619-P647 HydrophobicContact SD-CB 3.3Å; M619-P647 WeakPolarHBondContact SD-CB 3.19Å; M619-D650 WeakPolarHBondContact CE-OD1 3.07Å
620	D	81.9	Confident	82.5	Confident	166 Å²	166	72.6 Å²	72.6	89%	0.888	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	23.6	-174.2	-53.4	-43	0	0	0	114.4	S618	S618-D620 PolarHBondContact O-N 3Å
621	R	86.4	Confident	83.4	Confident	95 Å²	95	74.8 Å²	74.8	36%	0.358	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.2	176.6	-65.9	164.1	177.2	-106.2	6.8	110	A598 V617 S618 M619 Y623 D650	A598-R621 HydrophobicContact CB-CB 3.89Å; A598-R621 HydrophobicContact CB-CG 4.17Å; V617-R621 WeakPolarHBondContact CA-O 3.48Å; S618-R621 PolarHBondContact N-O 3.15Å; S618-R621 WeakPolarHBondContact O-CB 3.45Å; S618-R621 PolarHBondContact O-N 2.84Å; M619-R621 PolarHBondContact O-N 3.28Å; M619-R621 VanDerWaalsContact O-N 3.08Å; R621-Y623 HydrophobicContact CB-CE2 3.69Å; R621-Y623 WeakPolarHBondContact O-CD2 3.37Å; R621-Y623 WeakPolarHBondContact O-CE2 3.3Å; R621-D650 IonicContact CZ-OD2 3.93Å; R621-D650 IonicContact NE-OD2 3.72Å; R621-D650 IonicContact NH2-OD2 2.68Å; R621-D650 PolarHBondContact NH2-OD2 3.36Å
622	D	88.3	Confident	84.5	Confident	34 Å²	34	72.1 Å²	72.1	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.5	175	-52.6	-94.9	0	0	0	111.6	P595 C597 A598 I604 R615 V616	P595-D622 HydrophobicContact CB-CB 3.89Å; P595-D622 WeakPolarHBondContact CB-OD2 3.4Å; C597-D622 CarbonylContact C-O 3.57Å; C597-D622 VanDerWaalsContact CA-O 3.29Å; C597-D622 WeakPolarHBondContact CA-O 3.5Å; A598-D622 PolarHBondContact N-O 3.22Å; I604-D622 HydrophobicContact CD1-CB 3.63Å; R615-D622 WeakPolarHBondContact CD-OD1 3.5Å; R615-D622 IonicContact CZ-OD1 3.02Å; R615-D622 IonicContact NE-OD1 3.11Å; R615-D622 PolarHBondContact NE-OD1 2.95Å; R615-D622 IonicContact NH2-OD1 3.67Å; V616-D622 CarbonylContact O-C 3.53Å; V616-D622 WeakPolarHBondContact O-CA 3.5Å
623	Y	88	Confident	85.3	Confident	10 Å²	10	68 Å²	68	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.9	177.8	-59.7	-100	0	0	0	110.8	A598 A599 R615 V616 R621 Y628 L652	A598-Y623 HydrophobicContact CB-CE1 3.9Å; A598-Y623 HydrophobicContact CB-CE2 4.49Å; A599-Y623 HydrophobicContact CB-CD1 4.08Å; A599-Y623 HydrophobicContact CB-CE1 4.22Å; R615-Y623 WeakPolarHBondContact CA-O 3.42Å; V616-Y623 PolarHBondContact N-O 3.32Å; V616-Y623 PolarHBondContact O-N 3.48Å; R621-Y623 HydrophobicContact CB-CE2 3.69Å; R621-Y623 WeakPolarHBondContact O-CD2 3.37Å; R621-Y623 WeakPolarHBondContact O-CE2 3.3Å; Y623-Y628 HydrophobicContact CD2-CD2 4.36Å; Y623-Y628 HydrophobicContact CG-CD2 4.3Å; Y623-L652 HydrophobicContact CD1-CD1 4.1Å; Y623-L652 HydrophobicContact CE1-CD1 3.65Å; Y623-L652 HydrophobicContact CE2-CD1 4.44Å
624	H	87.7	Confident	85.8	Confident	42 Å²	42	68 Å²	68	19%	0.194	36%	0.36	C	S	.	.			trans	-62.4	150.3	159.1	-56.7	100.7	0	0	0	108.9	C597 C600 E626 C627 Y628	C597-H624 VanDerWaalsContact CB-CE1 3.43Å; C597-H624 WeakPolarHBondContact CB-CE1 3.48Å; C597-H624 WeakPolarHBondContact CB-ND1 3.28Å; C600-H624 PolarHBondContact SG-CE1 3.12Å; C600-H624 PolarHBondContact SG-ND1 2.81Å; C600-H624 VanDerWaalsContact SG-ND1 3.37Å; H624-E626 VanDerWaalsContact C-N 3.31Å; H624-E626 PolarHBondContact O-N 3.01Å; H624-C627 HydrophobicContact CB-CB 3.94Å; H624-C627 CarbonylContact O-C 3.53Å; H624-C627 WeakPolarHBondContact O-CA 3.48Å; H624-C627 WeakPolarHBondContact O-CB 3.4Å; H624-C627 PolarHBondContact O-N 3.36Å; H624-Y628 PolarHBondContact O-N 2.9Å
625	V	86.9	Confident	86.1	Confident	80 Å²	80	65.1 Å²	65.1	49%	0.485	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-54.3	-48.2	177.3	-175.1	0	0	0	0	111	I614 V616 C627 Y628	I614-V625 HydrophobicContact CG2-CG2 3.91Å; V616-V625 HydrophobicContact CG2-CG2 4.42Å; V625-C627 PolarHBondContact O-N 2.88Å; V625-Y628 PolarHBondContact O-N 2.87Å
626	E	84.8	Confident	86.1	Confident	165 Å²	165	66.4 Å²	66.4	77%	0.771	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-61.4	-26.4	175.9	-57.8	172	-177.1	0	0	114	H624 H629	H624-E626 VanDerWaalsContact C-N 3.31Å; H624-E626 PolarHBondContact O-N 3.01Å; E626-H629 PolarHBondContact O-ND1 3.3Å
627	C	86.6	Confident	86	Confident	22 Å²	22	64.8 Å²	64.8	15%	0.149	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-90.7	-0.1	-178.2	-69.4	0	0	0	0	113.3	C597 A599 H624 V625 H629	C597-C627 VanDerWaalsContact SG-CB 3.55Å; A599-C627 HydrophobicContact CB-CB 4.13Å; H624-C627 HydrophobicContact CB-CB 3.94Å; H624-C627 CarbonylContact O-C 3.53Å; H624-C627 WeakPolarHBondContact O-CA 3.48Å; H624-C627 WeakPolarHBondContact O-CB 3.4Å; H624-C627 PolarHBondContact O-N 3.36Å; V625-C627 PolarHBondContact O-N 2.88Å; C627-H629 PolarHBondContact O-N 2.97Å
628	Y	88.6	Confident	85.9	Confident	15 Å²	15	64.4 Å²	64.4	6%	0.059	34%	0.34	C	S	.	.			trans	-100.9	73.5	-176.2	-176.7	-115.4	0	0	0	110.4	V616 S618 Y623 H624 V625 L637 C645 L652	V616-Y628 HydrophobicContact CB-CD1 4.19Å; V616-Y628 HydrophobicContact CB-CD2 4.31Å; V616-Y628 HydrophobicContact CB-CG 4.05Å; V616-Y628 HydrophobicContact CG1-CD1 3.72Å; V616-Y628 HydrophobicContact CG1-CD2 3.9Å; V616-Y628 HydrophobicContact CG1-CE1 3.62Å; V616-Y628 HydrophobicContact CG1-CE2 3.81Å; V616-Y628 HydrophobicContact CG1-CG 3.85Å; V616-Y628 HydrophobicContact CG2-CD1 4.03Å; V616-Y628 HydrophobicContact CG2-CG 4.19Å; S618-Y628 PolarHBondContact OG-OH 2.86Å; Y623-Y628 HydrophobicContact CD2-CD2 4.36Å; Y623-Y628 HydrophobicContact CG-CD2 4.3Å; H624-Y628 PolarHBondContact O-N 2.9Å; V625-Y628 PolarHBondContact O-N 2.87Å; Y628-L637 HydrophobicContact CD1-CB 3.7Å; Y628-L637 WeakPolarHBondContact CD1-O 3.35Å; Y628-L637 HydrophobicContact CE1-CB 3.44Å; Y628-L637 VanDerWaalsContact CE1-CB 3.44Å; Y628-L637 WeakPolarHBondContact CE1-O 3.41Å; Y628-L637 HydrophobicContact CE2-CB 4.5Å; Y628-L637 HydrophobicContact CG-CB 4.35Å; Y628-L637 PolarHBondContact O-N 2.66Å; Y628-C645 HydrophobicContact CE2-CB 4.43Å; Y628-C645 VanDerWaalsContact OH-CB 3.29Å; Y628-C645 WeakPolarHBondContact OH-CB 3.44Å; Y628-C645 PolarHBondContact OH-SG 3.19Å; Y628-L652 HydrophobicContact CD2-CD1 3.73Å; Y628-L652 HydrophobicContact CE2-CD1 4.11Å; Y628-L652 HydrophobicContact CE2-CD2 4.19Å
629	H	88.8	Confident	85.9	Confident	72 Å²	72	70.6 Å²	70.6	33%	0.333	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-129.7	158.3	-176.4	54	-106.8	0	0	0	112.2	E626 C627 E631 L635	E626-H629 PolarHBondContact O-ND1 3.3Å; C627-H629 PolarHBondContact O-N 2.97Å; H629-E631 PolarHBondContact O-N 3.48Å; H629-L635 CarbonylContact C-O 3.59Å; H629-L635 VanDerWaalsContact CA-O 3.3Å; H629-L635 WeakPolarHBondContact CA-O 3.26Å
630	C	89.1	Confident	85.9	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.385	C	S	.	.			trans	-71	120.2	176.5	173.6	0	0	0	0	111.4	D632 C633 G634 L635 L637 L652 C654	C630-D632 VanDerWaalsContact C-N 3.31Å; C630-D632 PolarHBondContact O-N 3.46Å; C630-C633 PolarHBondContact O-N 3.48Å; C630-C633 PolarHBondContact SG-SG 2.72Å; C630-G634 WeakPolarHBondContact O-CA 3.19Å; C630-G634 PolarHBondContact O-N 3.28Å; C630-L635 HydrophobicContact CB-CB 4.28Å; C630-L635 PolarHBondContact N-O 2.9Å; C630-L637 HydrophobicContact CB-CD2 4.16Å; C630-L637 HydrophobicContact CB-CG 4.48Å; C630-L652 WeakPolarHBondContact CA-O 3.38Å; C630-C654 HydrophobicContact CB-CB 4.08Å; C630-C654 PolarHBondContact SG-N 2.9Å
631	E	85.4	Confident	85.4	Confident	98 Å²	98	72 Å²	72	46%	0.458	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.5	-176.8	-67.8	175.5	-127.5	0	0	113.5	H629 C633 H651 L652 F653	H629-E631 PolarHBondContact O-N 3.48Å; E631-C633 VanDerWaalsContact C-N 3.32Å; E631-C633 PolarHBondContact O-N 3.19Å; E631-H651 VanDerWaalsContact CD-ND1 3.3Å; E631-H651 WeakPolarHBondContact OE1-CA 3.22Å; E631-H651 VanDerWaalsContact OE1-CB 3.23Å; E631-H651 WeakPolarHBondContact OE1-CB 3.45Å; E631-H651 IonicContact OE1-CG 2.72Å; E631-H651 IonicContact OE1-ND1 3.67Å; E631-H651 PolarHBondContact OE1-ND1 3.19Å; E631-H651 VanDerWaalsContact OE1-ND1 3.13Å; E631-H651 IonicContact OE2-CE1 3.86Å; E631-H651 IonicContact OE2-CG 2.66Å; E631-H651 IonicContact OE2-ND1 3.65Å; E631-H651 PolarHBondContact OE2-ND1 3.41Å; E631-L652 PolarHBondContact N-O 3.09Å; E631-L652 PolarHBondContact OE1-N 3.42Å; E631-F653 HydrophobicContact CB-CE1 4.32Å
632	D	84.4	Confident	84.7	Confident	78 Å²	78	69.4 Å²	69.4	42%	0.417	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.3	-178	-81.5	-17.4	0	0	0	113.8	C630 F653 C657 R661	C630-D632 VanDerWaalsContact C-N 3.31Å; C630-D632 PolarHBondContact O-N 3.46Å; D632-F653 HydrophobicContact CB-CD1 4.19Å; D632-F653 HydrophobicContact CB-CE1 4.32Å; D632-F653 WeakPolarHBondContact OD2-CE1 3.46Å; D632-C657 HydrophobicContact CB-CB 3.79Å; D632-R661 IonicContact OD1-CZ 2.73Å; D632-R661 IonicContact OD1-NE 2.7Å; D632-R661 IonicContact OD1-NH2 3.14Å; D632-R661 PolarHBondContact OD1-NH2 3.37Å; D632-R661 IonicContact OD2-CZ 2.68Å; D632-R661 IonicContact OD2-NE 2.67Å; D632-R661 PolarHBondContact OD2-NE 3.1Å; D632-R661 IonicContact OD2-NH2 3.73Å; D632-R661 PolarHBondContact OD2-NH2 3.46Å
633	C	87.1	Confident	84.1	Confident	70 Å²	70	71 Å²	71	47%	0.473	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	0.1	-176.6	71.3	0	0	0	0	118.1	C630 E631 L635 C657	C630-C633 PolarHBondContact O-N 3.48Å; C630-C633 PolarHBondContact SG-SG 2.72Å; E631-C633 VanDerWaalsContact C-N 3.32Å; E631-C633 PolarHBondContact O-N 3.19Å; C633-L635 PolarHBondContact O-N 3.04Å; C633-L635 VanDerWaalsContact SG-CB 3.57Å; C633-C657 VanDerWaalsContact SG-SG 3.68Å
634	G	83.1	Confident	83.8	Confident	53 Å²	53	74.9 Å²	74.9	55%	0.546	40%	0.4	S	S	.	.			trans	69.6	7.5	179.1	0	0	0	0	0	115.8	C630 E636	C630-G634 WeakPolarHBondContact O-CA 3.19Å; C630-G634 PolarHBondContact O-N 3.28Å; G634-E636 PolarHBondContact O-N 3.41Å
635	L	86.3	Confident	83.6	Confident	62 Å²	62	74.5 Å²	74.5	33%	0.325	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.1	122	177.1	-175.3	97.5	0	0	0	110.1	H629 C630 C633 L637 C654	H629-L635 CarbonylContact C-O 3.59Å; H629-L635 VanDerWaalsContact CA-O 3.3Å; H629-L635 WeakPolarHBondContact CA-O 3.26Å; C630-L635 HydrophobicContact CB-CB 4.28Å; C630-L635 PolarHBondContact N-O 2.9Å; C633-L635 PolarHBondContact O-N 3.04Å; C633-L635 VanDerWaalsContact SG-CB 3.57Å; L635-L637 PolarHBondContact O-N 3.23Å; L635-C654 HydrophobicContact CD2-CB 3.5Å; L635-C654 VanDerWaalsContact CD2-CB 3.5Å
636	E	85.5	Confident	83.5	Confident	127 Å²	127	73.7 Å²	73.7	59%	0.593	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-55.3	132.6	168.7	-68.8	175.3	-172.6	0	0	110.3	G634	G634-E636 PolarHBondContact O-N 3.41Å
637	L	85.2	Confident	83.4	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-96.6	138.1	-178.4	-62.3	172.1	0	0	0	109.3	Y628 C630 L635 H643 C645 L652 C654	Y628-L637 HydrophobicContact CD1-CB 3.7Å; Y628-L637 WeakPolarHBondContact CD1-O 3.35Å; Y628-L637 HydrophobicContact CE1-CB 3.44Å; Y628-L637 VanDerWaalsContact CE1-CB 3.44Å; Y628-L637 WeakPolarHBondContact CE1-O 3.41Å; Y628-L637 HydrophobicContact CE2-CB 4.5Å; Y628-L637 HydrophobicContact CG-CB 4.35Å; Y628-L637 PolarHBondContact O-N 2.66Å; C630-L637 HydrophobicContact CB-CD2 4.16Å; C630-L637 HydrophobicContact CB-CG 4.48Å; L635-L637 PolarHBondContact O-N 3.23Å; L637-H643 CarbonylContact C-O 3.6Å; L637-H643 WeakPolarHBondContact CA-O 3.37Å; L637-H643 WeakPolarHBondContact CD2-O 3.38Å; L637-C645 HydrophobicContact CB-CB 4.5Å; L637-C645 HydrophobicContact CD1-CB 3.9Å; L637-L652 HydrophobicContact CD1-CB 4Å; L637-C654 HydrophobicContact CD2-CB 3.73Å
638	N	84.5	Confident	83.3	Confident	75 Å²	75	69.3 Å²	69.3	40%	0.401	37%	0.374	S	S	.	.			trans	-150.8	167.7	-176.6	-80	-62.5	0	0	0	109.6	E640 H643 R644	N638-E640 PolarHBondContact O-N 3.1Å; N638-E640 VanDerWaalsContact O-N 3.12Å; N638-H643 HydrophobicContact CB-CB 3.97Å; N638-H643 PolarHBondContact N-O 3.44Å; N638-H643 CarbonylContact O-C 3.09Å; N638-R644 WeakPolarHBondContact O-CA 3.41Å; N638-R644 PolarHBondContact O-N 2.92Å
639	D	82	Confident	82.8	Confident	152 Å²	152	74.4 Å²	74.4	81%	0.813	40%	0.399	S	S	*	.	S	Bend	trans	-67.8	-10.9	-178.8	-68.7	-40.6	0	0	0	114.4	R644	D639-R644 WeakPolarHBondContact O-CG 3.46Å
640	E	84.3	Confident	82.3	Confident	127 Å²	127	75.2 Å²	75.2	59%	0.593	41%	0.405	S	S	*	.	S	Bend	trans	-66	149.7	-179.4	-63.2	-168.5	133.3	0	0	114.4	N638 G642 H643 R644	N638-E640 PolarHBondContact O-N 3.1Å; N638-E640 VanDerWaalsContact O-N 3.12Å; E640-G642 PolarHBondContact O-N 3.02Å; E640-H643 HydrophobicContact CB-CB 4.3Å; E640-H643 PolarHBondContact O-N 2.95Å; E640-H643 IonicContact OE2-CE1 3.55Å; E640-H643 IonicContact OE2-ND1 3.55Å; E640-H643 PolarHBondContact OE2-ND1 2.82Å; E640-H643 VanDerWaalsContact OE2-ND1 3.11Å; E640-R644 PolarHBondContact O-N 3.17Å; E640-R644 VanDerWaalsContact O-N 3.09Å
641	D	70.5	Confident	81.9	Confident	133 Å²	133	78.7 Å²	78.7	71%	0.711	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	108.6	175.9	-81.2	-65.9	0	0	0	112.4	R644	D641-R644 VanDerWaalsContact CG-NH1 3.34Å; D641-R644 IonicContact OD1-CZ 3.25Å; D641-R644 IonicContact OD1-NH1 3.77Å; D641-R644 PolarHBondContact OD1-NH1 3.27Å; D641-R644 IonicContact OD1-NH2 2.8Å; D641-R644 PolarHBondContact OD1-NH2 3.32Å; D641-R644 IonicContact OD2-NH1 2.72Å
642	G	70.9	Confident	82	Confident	40 Å²	40	74.4 Å²	74.4	41%	0.412	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.5	-30.4	-177.1	0	0	0	0	0	113.7	E640	E640-G642 PolarHBondContact O-N 3.02Å
643	H	75.8	Confident	82.1	Confident	68 Å²	68	70.7 Å²	70.7	32%	0.315	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.7	175.2	-57.1	118.3	0	0	0	112.9	L637 N638 E640	L637-H643 CarbonylContact C-O 3.6Å; L637-H643 WeakPolarHBondContact CA-O 3.37Å; L637-H643 WeakPolarHBondContact CD2-O 3.38Å; N638-H643 HydrophobicContact CB-CB 3.97Å; N638-H643 PolarHBondContact N-O 3.44Å; N638-H643 CarbonylContact O-C 3.09Å; E640-H643 HydrophobicContact CB-CB 4.3Å; E640-H643 PolarHBondContact O-N 2.95Å; E640-H643 IonicContact OE2-CE1 3.55Å; E640-H643 IonicContact OE2-ND1 3.55Å; E640-H643 PolarHBondContact OE2-ND1 2.82Å; E640-H643 VanDerWaalsContact OE2-ND1 3.11Å
644	R	82.1	Confident	82.2	Confident	91 Å²	91	67.6 Å²	67.6	34%	0.343	36%	0.361	S	S	.	.			trans	-50.9	141	176.1	-75.3	-167.5	-64.8	-94.4	-4	113.5	N638 D639 E640 D641 Y646	N638-R644 WeakPolarHBondContact O-CA 3.41Å; N638-R644 PolarHBondContact O-N 2.92Å; D639-R644 WeakPolarHBondContact O-CG 3.46Å; E640-R644 PolarHBondContact O-N 3.17Å; E640-R644 VanDerWaalsContact O-N 3.09Å; D641-R644 VanDerWaalsContact CG-NH1 3.34Å; D641-R644 IonicContact OD1-CZ 3.25Å; D641-R644 IonicContact OD1-NH1 3.77Å; D641-R644 PolarHBondContact OD1-NH1 3.27Å; D641-R644 IonicContact OD1-NH2 2.8Å; D641-R644 PolarHBondContact OD1-NH2 3.32Å; D641-R644 IonicContact OD2-NH1 2.72Å; R644-Y646 HydrophobicContact CB-CE2 3.88Å; R644-Y646 VanDerWaalsContact O-CD2 3.24Å; R644-Y646 WeakPolarHBondContact O-CD2 3.3Å; R644-Y646 WeakPolarHBondContact O-CE2 3.4Å
645	C	83.8	Confident	82.3	Confident	34 Å²	34	69.1 Å²	69.1	23%	0.23	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-73	145.7	171.9	70	0	0	0	0	111.9	Y628 L637 F653	Y628-C645 HydrophobicContact CE2-CB 4.43Å; Y628-C645 VanDerWaalsContact OH-CB 3.29Å; Y628-C645 WeakPolarHBondContact OH-CB 3.44Å; Y628-C645 PolarHBondContact OH-SG 3.19Å; L637-C645 HydrophobicContact CB-CB 4.5Å; L637-C645 HydrophobicContact CD1-CB 3.9Å; C645-F653 CarbonylContact C-O 3.53Å; C645-F653 WeakPolarHBondContact CA-O 3.37Å
646	Y	85.1	Confident	82.3	Confident	63 Å²	63	69.4 Å²	69.4	25%	0.247	36%	0.361	C	S	.	.			trans	-131.2	84.3	174	-72.7	-91.9	0	0	0	107.6	R644 F653 H655 H658	R644-Y646 HydrophobicContact CB-CE2 3.88Å; R644-Y646 VanDerWaalsContact O-CD2 3.24Å; R644-Y646 WeakPolarHBondContact O-CD2 3.3Å; R644-Y646 WeakPolarHBondContact O-CE2 3.4Å; Y646-F653 PolarHBondContact N-O 3.24Å; Y646-H655 HydrophobicContact CD2-CB 3.9Å; Y646-H655 HydrophobicContact CE2-CB 3.61Å; Y646-H655 AromaticContact CE2-CD2 3.91Å; Y646-H655 AromaticContact CZ-CD2 3.72Å; Y646-H658 HydrophobicContact CG-CB 4.33Å
647	P	82.3	Confident	82.4	Confident	64 Å²	64	63.8 Å²	63.8	42%	0.416	34%	0.336	S	S	.	.			trans	-65.7	133.8	-175.2	24.5	-33.2	0	0	0	112	M619	M619-P647 HydrophobicContact CE-CB 4.06Å; M619-P647 HydrophobicContact CG-CB 3.53Å; M619-P647 HydrophobicContact CG-CG 4.22Å; M619-P647 HydrophobicContact SD-CB 3.3Å; M619-P647 WeakPolarHBondContact SD-CB 3.19Å
648	L	84.1	Confident	82.4	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.162	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-146.3	118.6	179.3	177.7	72.5	0	0	0	110	D650 H651 F653 R661 L662	L648-D650 PolarHBondContact O-N 3.1Å; L648-H651 PolarHBondContact N-O 2.96Å; L648-H651 VanDerWaalsContact N-O 3.14Å; L648-H651 WeakPolarHBondContact O-CB 3.29Å; L648-H651 PolarHBondContact O-N 2.76Å; L648-H651 VanDerWaalsContact O-N 3.1Å; L648-F653 HydrophobicContact CB-CD2 3.96Å; L648-F653 HydrophobicContact CB-CE2 3.93Å; L648-F653 HydrophobicContact CD2-CE2 4.44Å; L648-R661 HydrophobicContact CD2-CG 4.24Å; L648-L662 HydrophobicContact CD2-CD2 4.46Å
649	E	79.6	Confident	82.5	Confident	123 Å²	123	64.3 Å²	64.3	58%	0.575	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	49.2	175.6	-63.2	173.8	165.4	0	0	112.6	H651 R665	E649-H651 PolarHBondContact O-CD2 3.22Å; E649-H651 PolarHBondContact O-N 2.78Å; E649-R665 VanDerWaalsContact CD-NH1 3.34Å; E649-R665 IonicContact OE1-CZ 3.56Å; E649-R665 VanDerWaalsContact OE1-CZ 3.25Å; E649-R665 IonicContact OE1-NH1 2.72Å; E649-R665 PolarHBondContact OE1-NH1 3.08Å; E649-R665 IonicContact OE1-NH2 3.39Å; E649-R665 PolarHBondContact OE1-NH2 3.34Å; E649-R665 IonicContact OE2-NH1 2.72Å; E649-R665 PolarHBondContact OE2-NH1 2.98Å
650	D	77.1	Confident	82.7	Confident	88 Å²	88	63.3 Å²	63.3	47%	0.471	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	8.5	-176.4	-78.3	22.6	0	0	0	117	M619 R621 L648	M619-D650 WeakPolarHBondContact CE-OD1 3.07Å; R621-D650 IonicContact CZ-OD2 3.93Å; R621-D650 IonicContact NE-OD2 3.72Å; R621-D650 IonicContact NH2-OD2 2.68Å; R621-D650 PolarHBondContact NH2-OD2 3.36Å; L648-D650 PolarHBondContact O-N 3.1Å
651	H	82	Confident	82.6	Confident	74 Å²	74	61.5 Å²	61.5	34%	0.343	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-105.7	149.9	178.3	-66.7	-81.4	0	0	0	113.7	E631 L648 E649 F653	E631-H651 VanDerWaalsContact CD-ND1 3.3Å; E631-H651 WeakPolarHBondContact OE1-CA 3.22Å; E631-H651 VanDerWaalsContact OE1-CB 3.23Å; E631-H651 WeakPolarHBondContact OE1-CB 3.45Å; E631-H651 IonicContact OE1-CG 2.72Å; E631-H651 IonicContact OE1-ND1 3.67Å; E631-H651 PolarHBondContact OE1-ND1 3.19Å; E631-H651 VanDerWaalsContact OE1-ND1 3.13Å; E631-H651 IonicContact OE2-CE1 3.86Å; E631-H651 IonicContact OE2-CG 2.66Å; E631-H651 IonicContact OE2-ND1 3.65Å; E631-H651 PolarHBondContact OE2-ND1 3.41Å; L648-H651 PolarHBondContact N-O 2.96Å; L648-H651 VanDerWaalsContact N-O 3.14Å; L648-H651 WeakPolarHBondContact O-CB 3.29Å; L648-H651 PolarHBondContact O-N 2.76Å; L648-H651 VanDerWaalsContact O-N 3.1Å; E649-H651 PolarHBondContact O-CD2 3.22Å; E649-H651 PolarHBondContact O-N 2.78Å; H651-F653 HydrophobicContact CB-CD2 4.45Å; H651-F653 HydrophobicContact CB-CE1 4.31Å; H651-F653 HydrophobicContact CB-CE2 3.41Å; H651-F653 VanDerWaalsContact CB-CE2 3.41Å; H651-F653 HydrophobicContact CB-CZ 3.29Å
652	L	86.1	Confident	83.2	Confident	7 Å²	7	59 Å²	59	4%	0.037	30%	0.301	C	S	.	.			trans	-96	121.6	179.9	-67.9	-179.3	0	0	0	112.3	Y623 Y628 C630 E631 L637	Y623-L652 HydrophobicContact CD1-CD1 4.1Å; Y623-L652 HydrophobicContact CE1-CD1 3.65Å; Y623-L652 HydrophobicContact CE2-CD1 4.44Å; Y628-L652 HydrophobicContact CD2-CD1 3.73Å; Y628-L652 HydrophobicContact CE2-CD1 4.11Å; Y628-L652 HydrophobicContact CE2-CD2 4.19Å; C630-L652 WeakPolarHBondContact CA-O 3.38Å; E631-L652 PolarHBondContact N-O 3.09Å; E631-L652 PolarHBondContact OE1-N 3.42Å; L637-L652 HydrophobicContact CD1-CB 4Å
653	F	86.6	Confident	83.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.315	C	S	.	.			trans	-128.7	149	175.9	-55.1	-65.5	0	0	0	113	E631 D632 C645 Y646 L648 H651 C657 H658 R661	E631-F653 HydrophobicContact CB-CE1 4.32Å; D632-F653 HydrophobicContact CB-CD1 4.19Å; D632-F653 HydrophobicContact CB-CE1 4.32Å; D632-F653 WeakPolarHBondContact OD2-CE1 3.46Å; C645-F653 CarbonylContact C-O 3.53Å; C645-F653 WeakPolarHBondContact CA-O 3.37Å; Y646-F653 PolarHBondContact N-O 3.24Å; L648-F653 HydrophobicContact CB-CD2 3.96Å; L648-F653 HydrophobicContact CB-CE2 3.93Å; L648-F653 HydrophobicContact CD2-CE2 4.44Å; H651-F653 HydrophobicContact CB-CD2 4.45Å; H651-F653 HydrophobicContact CB-CE1 4.31Å; H651-F653 HydrophobicContact CB-CE2 3.41Å; H651-F653 VanDerWaalsContact CB-CE2 3.41Å; H651-F653 HydrophobicContact CB-CZ 3.29Å; F653-C657 HydrophobicContact CB-CB 4.38Å; F653-C657 HydrophobicContact CD1-CB 4.36Å; F653-H658 HydrophobicContact CB-CB 4.04Å; F653-R661 VanDerWaalsContact CE1-CZ 3.43Å; F653-R661 VanDerWaalsContact CZ-NE 3.31Å
654	C	89.1	Confident	83.2	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.034	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-78.5	161.7	159.9	72	0	0	0	0	110.3	C630 L635 L637 S656 C657 H658	C630-C654 HydrophobicContact CB-CB 4.08Å; C630-C654 PolarHBondContact SG-N 2.9Å; L635-C654 HydrophobicContact CD2-CB 3.5Å; L635-C654 VanDerWaalsContact CD2-CB 3.5Å; L637-C654 HydrophobicContact CD2-CB 3.73Å; C654-S656 PolarHBondContact O-N 2.89Å; C654-S656 VanDerWaalsContact O-N 3.13Å; C654-C657 PolarHBondContact O-N 3.31Å; C654-C657 VanDerWaalsContact SG-SG 3.64Å; C654-H658 PolarHBondContact O-N 3.34Å
655	H	86.4	Confident	82.1	Confident	86 Å²	86	71.4 Å²	71.4	40%	0.398	34%	0.344	S	S	.	.	H	α-helix	trans	-46.6	-46.8	180	-176.6	-100.1	0	0	0	113.2	Y646 C657 H658 V659	Y646-H655 HydrophobicContact CD2-CB 3.9Å; Y646-H655 HydrophobicContact CE2-CB 3.61Å; Y646-H655 AromaticContact CE2-CD2 3.91Å; Y646-H655 AromaticContact CZ-CD2 3.72Å; H655-C657 VanDerWaalsContact C-N 3.31Å; H655-C657 PolarHBondContact O-N 3.23Å; H655-H658 PolarHBondContact O-N 2.99Å; H655-V659 WeakPolarHBondContact O-CG2 3.25Å; H655-V659 PolarHBondContact O-N 3.42Å; H655-V659 VanDerWaalsContact O-N 3.1Å
656	S	85.8	Confident	80.7	Confident	68 Å²	68	75.2 Å²	75.2	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-20.8	-176.8	-61.4	0	0	0	0	114.9	C654 K660	C654-S656 PolarHBondContact O-N 2.89Å; C654-S656 VanDerWaalsContact O-N 3.13Å; S656-K660 WeakPolarHBondContact O-CD 3.42Å; S656-K660 WeakPolarHBondContact O-CE 3.16Å; S656-K660 VanDerWaalsContact O-CG 3.25Å; S656-K660 WeakPolarHBondContact O-CG 3.18Å
657	C	86.9	Confident	79	Confident	9 Å²	9	76.7 Å²	76.7	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-95.3	-38.4	175.4	-66.1	0	0	0	0	111	D632 C633 F653 C654 H655 V659 K660 R661	D632-C657 HydrophobicContact CB-CB 3.79Å; C633-C657 VanDerWaalsContact SG-SG 3.68Å; F653-C657 HydrophobicContact CB-CB 4.38Å; F653-C657 HydrophobicContact CD1-CB 4.36Å; C654-C657 PolarHBondContact O-N 3.31Å; C654-C657 VanDerWaalsContact SG-SG 3.64Å; H655-C657 VanDerWaalsContact C-N 3.31Å; H655-C657 PolarHBondContact O-N 3.23Å; C657-V659 PolarHBondContact O-N 3.26Å; C657-K660 PolarHBondContact O-N 3.43Å; C657-R661 WeakPolarHBondContact O-CB 3.43Å; C657-R661 PolarHBondContact O-N 3.45Å
658	H	86.1	Confident	77.5	Confident	35 Å²	35	79.2 Å²	79.2	16%	0.162	41%	0.407	C	S	.	.	H	α-helix	trans	-53.7	-50.3	172.5	175.7	-108.5	0	0	0	112.2	Y646 F653 C654 H655 K660 R661 L662	Y646-H658 HydrophobicContact CG-CB 4.33Å; F653-H658 HydrophobicContact CB-CB 4.04Å; C654-H658 PolarHBondContact O-N 3.34Å; H655-H658 PolarHBondContact O-N 2.99Å; H658-K660 PolarHBondContact O-N 3.27Å; H658-R661 PolarHBondContact O-N 2.9Å; H658-L662 VanDerWaalsContact CE1-CD1 3.45Å; H658-L662 WeakPolarHBondContact CE1-CD1 3.24Å; H658-L662 WeakPolarHBondContact O-CG 3.42Å; H658-L662 PolarHBondContact O-N 2.96Å
659	V	87	Confident	75.9	Confident	53 Å²	53	83.7 Å²	83.7	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-60.4	-47.4	177.6	174.3	0	0	0	0	111.6	H655 C657 R661 L662 E663	H655-V659 WeakPolarHBondContact O-CG2 3.25Å; H655-V659 PolarHBondContact O-N 3.42Å; H655-V659 VanDerWaalsContact O-N 3.1Å; C657-V659 PolarHBondContact O-N 3.26Å; V659-R661 VanDerWaalsContact C-N 3.29Å; V659-R661 PolarHBondContact O-N 3.48Å; V659-L662 PolarHBondContact O-N 3.13Å; V659-E663 HydrophobicContact CG1-CG 4.35Å; V659-E663 WeakPolarHBondContact O-CG 3.2Å; V659-E663 PolarHBondContact O-N 3.02Å
660	K	85.8	Confident	74.3	Confident	131 Å²	131	82.4 Å²	82.4	57%	0.57	45%	0.447	S	S	*	.	H	α-helix	trans	-59.9	-37.3	177.3	-68.4	170.8	-168.8	167.1	0	112.6	S656 C657 H658 K664	S656-K660 WeakPolarHBondContact O-CD 3.42Å; S656-K660 WeakPolarHBondContact O-CE 3.16Å; S656-K660 VanDerWaalsContact O-CG 3.25Å; S656-K660 WeakPolarHBondContact O-CG 3.18Å; C657-K660 PolarHBondContact O-N 3.43Å; H658-K660 PolarHBondContact O-N 3.27Å; K660-K664 WeakPolarHBondContact O-CB 3.21Å; K660-K664 PolarHBondContact O-N 3.01Å; K660-K664 VanDerWaalsContact O-N 3.09Å
661	R	81.8	Confident	73	Confident	88 Å²	88	85.7 Å²	85.7	33%	0.332	46%	0.463	S	S	.	.	H	α-helix	trans	-73.6	-33.4	179.8	-167.9	176.3	-89	-131.3	6	111.4	D632 L648 F653 C657 H658 V659 R665	D632-R661 IonicContact OD1-CZ 2.73Å; D632-R661 IonicContact OD1-NE 2.7Å; D632-R661 IonicContact OD1-NH2 3.14Å; D632-R661 PolarHBondContact OD1-NH2 3.37Å; D632-R661 IonicContact OD2-CZ 2.68Å; D632-R661 IonicContact OD2-NE 2.67Å; D632-R661 PolarHBondContact OD2-NE 3.1Å; D632-R661 IonicContact OD2-NH2 3.73Å; D632-R661 PolarHBondContact OD2-NH2 3.46Å; L648-R661 HydrophobicContact CD2-CG 4.24Å; F653-R661 VanDerWaalsContact CE1-CZ 3.43Å; F653-R661 VanDerWaalsContact CZ-NE 3.31Å; C657-R661 WeakPolarHBondContact O-CB 3.43Å; C657-R661 PolarHBondContact O-N 3.45Å; H658-R661 PolarHBondContact O-N 2.9Å; V659-R661 VanDerWaalsContact C-N 3.29Å; V659-R661 PolarHBondContact O-N 3.48Å; R661-R665 PolarHBondContact O-N 3.12Å
662	L	82.7	Confident	71.4	Confident	80 Å²	80	91.3 Å²	91.3	42%	0.419	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-48.8	169.6	-71	178.4	0	0	0	112.4	L648 H658 V659 K664 R665	L648-L662 HydrophobicContact CD2-CD2 4.46Å; H658-L662 VanDerWaalsContact CE1-CD1 3.45Å; H658-L662 WeakPolarHBondContact CE1-CD1 3.24Å; H658-L662 WeakPolarHBondContact O-CG 3.42Å; H658-L662 PolarHBondContact O-N 2.96Å; V659-L662 PolarHBondContact O-N 3.13Å; L662-K664 PolarHBondContact O-N 3.09Å; L662-R665 WeakPolarHBondContact O-CB 3.43Å; L662-R665 PolarHBondContact O-N 3.11Å; L662-R665 VanDerWaalsContact O-N 3.1Å
663	E	79.7	Confident	69.6	Low	153 Å²	153	99.3 Å²	99.3	72%	0.715	53%	0.527	S	S	*	.	H	α-helix	trans	-59.8	-31.2	177.3	-71.3	176.4	154.9	0	0	112.7	V659	V659-E663 HydrophobicContact CG1-CG 4.35Å; V659-E663 WeakPolarHBondContact O-CG 3.2Å; V659-E663 PolarHBondContact O-N 3.02Å
664	K	67.8	Low	67.7	Low	181 Å²	181	106.7 Å²	106.7	79%	0.787	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-7	179.6	-162.5	175	-178.7	-175	0	113.7	K660 L662 P666	K660-K664 WeakPolarHBondContact O-CB 3.21Å; K660-K664 PolarHBondContact O-N 3.01Å; K660-K664 VanDerWaalsContact O-N 3.09Å; L662-K664 PolarHBondContact O-N 3.09Å; K664-P666 WeakPolarHBondContact O-CD 3.18Å
665	R	58.8	Low	65.4	Low	127 Å²	127	115.7 Å²	115.7	48%	0.479	60%	0.602	S	S	.	*	S	Bend	trans	-77.8	108	173.3	-170.6	-175.7	-167.3	117.5	-1.6	108.3	E649 R661 L662 S667	E649-R665 VanDerWaalsContact CD-NH1 3.34Å; E649-R665 IonicContact OE1-CZ 3.56Å; E649-R665 VanDerWaalsContact OE1-CZ 3.25Å; E649-R665 IonicContact OE1-NH1 2.72Å; E649-R665 PolarHBondContact OE1-NH1 3.08Å; E649-R665 IonicContact OE1-NH2 3.39Å; E649-R665 PolarHBondContact OE1-NH2 3.34Å; E649-R665 IonicContact OE2-NH1 2.72Å; E649-R665 PolarHBondContact OE2-NH1 2.98Å; R661-R665 PolarHBondContact O-N 3.12Å; L662-R665 WeakPolarHBondContact O-CB 3.43Å; L662-R665 PolarHBondContact O-N 3.11Å; L662-R665 VanDerWaalsContact O-N 3.1Å; R665-S667 PolarHBondContact O-N 3.04Å
666	P	54.6	Low	63.4	Low	113 Å²	113	124.3 Å²	124.3	73%	0.734	64%	0.639	S	S	*	*			trans	-61	134.1	175.1	27.5	-34.2	0	0	0	108.8	K664 S668	K664-P666 WeakPolarHBondContact O-CD 3.18Å; P666-S668 PolarHBondContact O-N 2.73Å; P666-S668 VanDerWaalsContact O-N 3.12Å
667	S	49.3	Very low	62.3	Low	95 Å²	95	127.1 Å²	127.1	66%	0.664	65%	0.647	S	S	*	*			trans	-59.9	116.1	-176.5	39	0	0	0	0	110.8	R665 T669	R665-S667 PolarHBondContact O-N 3.04Å; S667-T669 PolarHBondContact O-N 2.7Å
668	S	51	Low	61	Low	117 Å²	117	133.3 Å²	133.3	82%	0.818	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	46.4	-179.9	61.1	0	0	0	0	112.3	P666	P666-S668 PolarHBondContact O-N 2.73Å; P666-S668 VanDerWaalsContact O-N 3.12Å
669	T	49.3	Very low	59.6	Low	125 Å²	125	138.8 Å²	138.8	77%	0.767	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	13.5	-176.5	6.1	0	0	0	0	112.1	S667	S667-T669 PolarHBondContact O-N 2.7Å
670	A	47	Very low	57.9	Low	96 Å²	96	143.8 Å²	143.8	79%	0.793	73%	0.729	S	S	*	*	S	Bend	trans	-99.7	30.1	178.1	0	0	0	0	0	113.6
671	L	49.3	Very low	56.2	Low	157 Å²	157	144.6 Å²	144.6	82%	0.822	74%	0.739	S	S	*	*	S	Bend	trans	-144.8	45.9	-179.5	-131.9	179.4	0	0	0	113.6
672	H	48.1	Very low	54.5	Low	192 Å²	192	148.4 Å²	148.4	89%	0.889	77%	0.766	S	S	*	*			trans	-146.4	70.5	167.4	-107.8	67.9	0	0	0	110.9
673	Q	49.2	Very low	52.5	Low	175 Å²	175	153.3 Å²	153.3	82%	0.818	79%	0.791	S	S	*	*			trans	-152.7	136.7	162.7	-118.9	173.2	42.3	0	0	111.3
674	H	46	Very low	50.4	Low	155 Å²	155	153.3 Å²	153.3	72%	0.718	80%	0.796	S	S	*	*			trans	53.9	92.2	170.7	-61.9	-74.7	0	0	0	118.4
675	H	41.2	Very low	48.9	Very low	194 Å²	194	151 Å²	151	90%	0.898	80%	0.797	S	S	*	*				-136.5	125.1	109.3	-114.7	-72.5	0	0	0	110.4
676	F	43.5	Very low	48	Very low	266 Å²	266	153.2 Å²	153.2	100%	1.167	83%	0.826	S	S	*	*			trans	-130.3	0	166.4	-111.2	-73.9	0	0	0	106.3

Retrieved 676 of 676 residues in 124.8 ms (Link to these results)

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