G4VA03_SCHMA Loading...

DUF4817 domain-containing protein

AlphaFold DB (A0A5K4EGG2), UniProt , Accession G4VA03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 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	39	Very low	57.4	Low	242 Å²	242	145.8 Å²	145.8	100%	1.192	75%	0.75	S	S	*	*				0	125.3	0	-72.6	175.7	170.6	0	0	107.6
2	S	46.4	Very low	59	Low	93 Å²	93	138.5 Å²	138.5	65%	0.65	72%	0.717	S	S	*	*			trans	-123.9	95.5	176.6	-168.8	0	0	0	0	108.9	K4	S2-K4 PolarHBondContact O-N 3.29Å; S2-K4 VanDerWaalsContact O-N 3.07Å
3	L	55.6	Low	59.7	Low	139 Å²	139	132 Å²	132	73%	0.728	69%	0.689	S	S	*	*			trans	-68.5	108.3	-179.3	-74.9	167.6	0	0	0	109.4	K5	L3-K5 PolarHBondContact O-N 3.11Å
4	K	61.1	Low	60.5	Low	86 Å²	86	128.6 Å²	128.6	37%	0.374	68%	0.679	S	S	.	*			trans	-64.8	33.1	174.8	-62	179.3	-177.3	169	0	115	S2 P6 K104 F106	S2-K4 PolarHBondContact O-N 3.29Å; S2-K4 VanDerWaalsContact O-N 3.07Å; K4-P6 WeakPolarHBondContact O-CD 3.29Å; K4-K104 WeakPolarHBondContact CE-O 3.15Å; K4-K104 PolarHBondContact NZ-O 3.25Å; K4-F106 PolarHBondContact NZ-O 2.88Å
5	K	64.5	Low	61.1	Low	167 Å²	167	125.7 Å²	125.7	73%	0.726	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.1	162.5	-72	179	177.8	175.4	0	106.8	L3	L3-K5 PolarHBondContact O-N 3.11Å
6	P	53.2	Low	61.3	Low	109 Å²	109	123.8 Å²	123.8	71%	0.708	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-57.9	143.7	171.5	25.3	-33.5	0	0	0	108.9	K4 K8	K4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-K8 PolarHBondContact O-N 3.48Å; P6-K8 VanDerWaalsContact O-N 3.12Å
7	P	51.4	Low	61.7	Low	115 Å²	115	124.9 Å²	124.9	75%	0.747	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-56.7	123.4	178	23.9	-33.1	0	0	0	108.6	T9	P7-T9 PolarHBondContact O-N 3.25Å
8	K	60.4	Low	61.9	Low	198 Å²	198	122.6 Å²	122.6	86%	0.861	66%	0.663	S	S	*	*			trans	-73	82.5	-175.9	-167.5	-178.4	-175	-173.6	0	108.7	P6 L10	P6-K8 PolarHBondContact O-N 3.48Å; P6-K8 VanDerWaalsContact O-N 3.12Å; K8-L10 PolarHBondContact O-N 3.31Å
9	T	62.4	Low	61.7	Low	127 Å²	127	121.8 Å²	121.8	78%	0.779	66%	0.658	S	S	*	*			trans	-56.1	113.2	179.6	46.9	0	0	0	0	108.9	P7 Y11	P7-T9 PolarHBondContact O-N 3.25Å; T9-Y11 PolarHBondContact O-N 3.36Å
10	L	64.7	Low	61.4	Low	153 Å²	153	124.4 Å²	124.4	80%	0.801	66%	0.663	S	S	*	*			trans	-62.8	124.5	173.1	-70.3	174.6	0	0	0	107.4	K8 V12	K8-L10 PolarHBondContact O-N 3.31Å; L10-V12 PolarHBondContact O-N 3.24Å
11	Y	72.5	Confident	60.7	Low	175 Å²	175	123.6 Å²	123.6	69%	0.686	67%	0.667	S	S	*	*			trans	-59.9	113.7	176.7	171.8	-93.4	0	0	0	108.9	T9 P13	T9-Y11 PolarHBondContact O-N 3.36Å; Y11-P13 HydrophobicContact CD1-CG 4.31Å; Y11-P13 HydrophobicContact CE1-CB 4.26Å; Y11-P13 HydrophobicContact CE1-CG 4.01Å; Y11-P13 WeakPolarHBondContact O-CD 3.35Å
12	V	76.5	Confident	60.9	Low	58 Å²	58	116.1 Å²	116.1	35%	0.352	64%	0.644	S	S	.	*			trans	-90.9	114.1	172.4	-176.2	0	0	0	0	108	L10 L16 R17	L10-V12 PolarHBondContact O-N 3.24Å; V12-L16 HydrophobicContact CG1-CB 3.87Å; V12-R17 HydrophobicContact CG1-CG 3.9Å; V12-R17 PolarHBondContact O-NE 3.24Å; V12-R17 PolarHBondContact O-NH2 3.1Å
13	P	68.7	Low	60.6	Low	54 Å²	54	117.5 Å²	117.5	35%	0.351	65%	0.653	S	S	.	*			trans	-52.7	145.2	173	-25.8	34.2	0	0	0	111.4	Y11 A15 L16	Y11-P13 HydrophobicContact CD1-CG 4.31Å; Y11-P13 HydrophobicContact CE1-CB 4.26Å; Y11-P13 HydrophobicContact CE1-CG 4.01Å; Y11-P13 WeakPolarHBondContact O-CD 3.35Å; P13-A15 PolarHBondContact O-N 2.97Å; P13-A15 VanDerWaalsContact O-N 3.13Å; P13-L16 HydrophobicContact CG-CD1 4.4Å; P13-L16 PolarHBondContact O-N 3.44Å
14	P	70.7	Confident	59.9	Low	84 Å²	84	119.1 Å²	119.1	55%	0.545	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-51.4	-39.2	-179	-29.4	36.2	0	0	0	114.1	L16 R17	P14-L16 PolarHBondContact O-N 3.43Å; P14-L16 VanDerWaalsContact O-N 3.12Å; P14-R17 PolarHBondContact O-N 3.13Å
15	A	69.2	Low	58.7	Low	85 Å²	85	120.8 Å²	120.8	70%	0.702	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-64.9	-10.1	179	0	0	0	0	0	115.4	P13 N19	P13-A15 PolarHBondContact O-N 2.97Å; P13-A15 VanDerWaalsContact O-N 3.13Å; A15-N19 PolarHBondContact O-OD1 3.46Å; A15-N19 VanDerWaalsContact O-OD1 3.1Å
16	L	65.1	Low	57.5	Low	95 Å²	95	122 Å²	122	50%	0.497	68%	0.68	S	S	.	*	G	3₁₀ helix	trans	-110	8	178.1	-65.7	179.7	0	0	0	113.4	V12 P13 P14 N19	V12-L16 HydrophobicContact CG1-CB 3.87Å; P13-L16 HydrophobicContact CG-CD1 4.4Å; P13-L16 PolarHBondContact O-N 3.44Å; P14-L16 PolarHBondContact O-N 3.43Å; P14-L16 VanDerWaalsContact O-N 3.12Å; L16-N19 VanDerWaalsContact C-OD1 3.24Å; L16-N19 VanDerWaalsContact CA-OD1 3.28Å; L16-N19 WeakPolarHBondContact CA-OD1 3.48Å
17	R	68.4	Low	56.5	Low	144 Å²	144	125.2 Å²	125.2	54%	0.543	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	-34.3	-177.4	-61.4	-178	-169.3	175.9	1.9	113.3	V12 P14 N19	V12-R17 HydrophobicContact CG1-CG 3.9Å; V12-R17 PolarHBondContact O-NE 3.24Å; V12-R17 PolarHBondContact O-NH2 3.1Å; P14-R17 PolarHBondContact O-N 3.13Å; R17-N19 PolarHBondContact O-N 3.48Å
18	A	65.3	Low	55.6	Low	83 Å²	83	127.1 Å²	127.1	69%	0.686	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-69.3	-21.8	180	0	0	0	0	0	113.1	K20	A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.48Å
19	N	57.9	Low	54.4	Low	108 Å²	108	122.6 Å²	122.6	58%	0.578	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-85.4	-4.4	-166.2	-36.5	56.9	0	0	0	113.4	A15 L16 R17	A15-N19 PolarHBondContact O-OD1 3.46Å; A15-N19 VanDerWaalsContact O-OD1 3.1Å; L16-N19 VanDerWaalsContact C-OD1 3.24Å; L16-N19 VanDerWaalsContact CA-OD1 3.28Å; L16-N19 WeakPolarHBondContact CA-OD1 3.48Å; R17-N19 PolarHBondContact O-N 3.48Å
20	K	55.3	Low	53.2	Low	173 Å²	173	121.7 Å²	121.7	75%	0.752	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-117.5	5	-169.1	-73.7	-170	172.1	-173.3	0	115.1	A18	A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 3.48Å
21	S	47.4	Very low	51.5	Low	107 Å²	107	123 Å²	123	75%	0.748	67%	0.673	S	S	*	*	S	Bend	trans	-115.6	24.4	-179.4	58.7	0	0	0	0	113.3
22	A	43	Very low	50.1	Low	86 Å²	86	121.4 Å²	121.4	71%	0.711	68%	0.676	S	S	*	*			trans	-130.9	6.9	-172.7	0	0	0	0	0	114.2	E24	A22-E24 PolarHBondContact O-N 3.24Å
23	S	39.7	Very low	48	Very low	121 Å²	121	127.9 Å²	127.9	85%	0.846	70%	0.702	S	S	*	*			trans	-84.7	46.6	-178.2	60.9	0	0	0	0	113
24	E	40.5	Very low	46.9	Very low	174 Å²	174	130.4 Å²	130.4	81%	0.813	72%	0.721	S	S	*	*	S	Bend	trans	-144.3	81.6	179.6	-162.8	155.7	-148.5	0	0	113.6	A22	A22-E24 PolarHBondContact O-N 3.24Å
25	V	36.8	Very low	45	Very low	121 Å²	121	132.7 Å²	132.7	73%	0.733	74%	0.736	S	S	*	*			trans	72.6	134.1	140.5	179.4	0	0	0	0	120
26	K	38.7	Very low	43.6	Very low	192 Å²	192	136.1 Å²	136.1	84%	0.835	74%	0.741	S	S	*	*			trans	75.6	79.9	165.2	-75.4	165.8	-175.6	178.8	0	120.3
27	K	31.1	Very low	42.4	Very low	176 Å²	176	136.6 Å²	136.6	77%	0.765	75%	0.752	S	S	*	*				18.7	116.3	113.3	-176.8	-153.7	177.2	-133.5	0	117.6
28	E	33.9	Very low	40.7	Very low	155 Å²	155	139 Å²	139	72%	0.724	77%	0.769	S	S	*	*				-162.2	-179.9	113.4	-135.2	128.3	-121.2	0	0	113.1
29	S	35	Very low	39.4	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	77%	0.772	S	S	*	*			trans	-64.8	155.9	-176.6	46.2	0	0	0	0	114.6
30	S	36.4	Very low	38.2	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	78%	0.781	S	S	*	*			cis	-166.7	-159.5	-3.6	45.3	0	0	0	0	107.5
31	F	30.4	Very low	37.8	Very low	180 Å²	180	135.8 Å²	135.8	79%	0.789	77%	0.773	S	S	*	*			cis	-163.4	174.4	11.1	-160.3	-156.2	0	0	0	111.8
32	L	42	Very low	37.7	Very low	143 Å²	143	137 Å²	137	75%	0.749	77%	0.771	S	S	*	*			trans	56.3	115.6	170.6	-62.7	179.6	0	0	0	119.1
33	E	32	Very low	38.1	Very low	193 Å²	193	138 Å²	138	90%	0.902	77%	0.765	S	S	*	*			trans	-77.6	160.9	163.8	-63	163.3	106.8	0	0	111.8
34	S	45.1	Very low	38.6	Very low	108 Å²	108	140.9 Å²	140.9	76%	0.755	77%	0.765	S	S	*	*			trans	-134.9	133.4	147.7	54.8	0	0	0	0	108.6
35	P	32.7	Very low	39.3	Very low	131 Å²	131	137 Å²	137	85%	0.851	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.1	-170.1	31.3	-34.1	0	0	0	111.6
36	I	39.2	Very low	40.5	Very low	158 Å²	158	135.2 Å²	135.2	81%	0.81	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-103.6	125.3	162.9	-62.5	-179.2	0	0	0	107.4
37	S	39.1	Very low	41.7	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-69.6	145	-166.7	43.1	0	0	0	0	113.8	A39	S37-A39 PolarHBondContact O-N 3.37Å
38	H	32.7	Very low	43.1	Very low	194 Å²	194	126.6 Å²	126.6	90%	0.898	71%	0.71	S	S	*	*			trans	-71.8	95.9	172.2	-52.4	-73.1	0	0	0	110.2	S40	H38-S40 PolarHBondContact O-N 3.39Å
39	A	37.6	Very low	44.5	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	70%	0.704	S	S	*	*			trans	-80.4	110.3	166.3	0	0	0	0	0	109.2	S37	S37-A39 PolarHBondContact O-N 3.37Å
40	S	34.6	Very low	46.1	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	68%	0.684	S	S	*	*			trans	-70.3	129.1	175.3	-165.3	0	0	0	0	110.5	H38	H38-S40 PolarHBondContact O-N 3.39Å
41	V	45.2	Very low	47.5	Very low	98 Å²	98	123.2 Å²	123.2	59%	0.594	67%	0.674	S	S	*	*			trans	-144.8	124	170.1	-164.9	0	0	0	0	108.7	D43	V41-D43 WeakPolarHBondContact CG1-OD2 3.43Å; V41-D43 PolarHBondContact O-N 3.33Å
42	D	44.9	Very low	49.1	Very low	132 Å²	132	122.2 Å²	122.2	71%	0.706	67%	0.665	S	S	*	*			trans	-83	16.7	-167.4	-64.7	-82.8	0	0	0	115.4	Q44 T45	D42-Q44 PolarHBondContact O-N 3.34Å; D42-T45 PolarHBondContact O-OG1 3.16Å
43	D	51.7	Low	50	Low	108 Å²	108	120 Å²	120	58%	0.578	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-16.7	-170.1	-67.1	-14.8	0	0	0	115.1	V41 T45 D46	V41-D43 WeakPolarHBondContact CG1-OD2 3.43Å; V41-D43 PolarHBondContact O-N 3.33Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 VanDerWaalsContact O-N 3.11Å; D43-D46 PolarHBondContact O-N 3.4Å
44	Q	51.3	Low	51.2	Low	181 Å²	181	114.3 Å²	114.3	85%	0.846	64%	0.637	S	S	*	*	H	α-helix	trans	-64	-21	-174.5	-126.6	177.3	46.7	0	0	113.5	D42	D42-Q44 PolarHBondContact O-N 3.34Å
45	T	54.4	Low	51.3	Low	93 Å²	93	114.1 Å²	114.1	57%	0.571	63%	0.631	S	S	*	*	H	α-helix	trans	-83	-31.6	179.1	61.8	0	0	0	0	113.7	D42 D43 Q49	D42-T45 PolarHBondContact O-OG1 3.16Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 VanDerWaalsContact O-N 3.11Å; T45-Q49 WeakPolarHBondContact O-CG 3.32Å; T45-Q49 PolarHBondContact O-N 3.33Å
46	D	62.3	Low	52.4	Low	82 Å²	82	115.7 Å²	115.7	44%	0.439	63%	0.631	S	S	.	*	H	α-helix	trans	-70.1	-43.6	-179.2	-178.2	26.8	0	0	0	110.9	D43 E48 Q49 Q50	D43-D46 PolarHBondContact O-N 3.4Å; D46-E48 VanDerWaalsContact C-N 3.27Å; D46-E48 PolarHBondContact O-N 3.49Å; D46-Q49 PolarHBondContact O-N 3.36Å; D46-Q50 WeakPolarHBondContact O-CG 3.18Å; D46-Q50 PolarHBondContact O-N 3.07Å; D46-Q50 PolarHBondContact OD1-NE2 3.32Å; D46-Q50 PolarHBondContact OD2-NE2 3.44Å
47	V	64.1	Low	53	Low	81 Å²	81	112.7 Å²	112.7	49%	0.491	62%	0.624	S	S	.	*	H	α-helix	trans	-58.7	-37	178.4	-173.3	0	0	0	0	112.1	L51	V47-L51 HydrophobicContact CG1-CD1 4.17Å; V47-L51 WeakPolarHBondContact O-CB 3.37Å; V47-L51 WeakPolarHBondContact O-CD1 3.43Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 3.1Å
48	E	60.1	Low	53.6	Low	107 Å²	107	115.3 Å²	115.3	50%	0.5	63%	0.63	S	S	.	*	H	α-helix	trans	-69.8	-37.6	173.4	-90.8	-147.7	-157.8	0	0	113.2	D46 L51 R52	D46-E48 VanDerWaalsContact C-N 3.27Å; D46-E48 PolarHBondContact O-N 3.49Å; E48-L51 PolarHBondContact O-N 3.38Å; E48-R52 WeakPolarHBondContact O-CB 3.22Å; E48-R52 WeakPolarHBondContact O-CD 3.18Å; E48-R52 WeakPolarHBondContact O-CG 3.29Å; E48-R52 PolarHBondContact O-N 3.47Å; E48-R52 IonicContact OE2-CZ 3.32Å; E48-R52 IonicContact OE2-NE 2.61Å; E48-R52 PolarHBondContact OE2-NE 2.83Å; E48-R52 IonicContact OE2-NH2 3.13Å; E48-R52 PolarHBondContact OE2-NH2 3.21Å
49	Q	64.5	Low	54.2	Low	127 Å²	127	110.3 Å²	110.3	59%	0.593	62%	0.617	S	S	*	*	H	α-helix	trans	-68	-41.1	177	-69.2	178.4	44.9	0	0	111.2	T45 D46 R52 S53	T45-Q49 WeakPolarHBondContact O-CG 3.32Å; T45-Q49 PolarHBondContact O-N 3.33Å; D46-Q49 PolarHBondContact O-N 3.36Å; Q49-R52 PolarHBondContact O-N 3.39Å; Q49-S53 PolarHBondContact O-N 3.18Å
50	Q	68	Low	54.7	Low	63 Å²	63	112.1 Å²	112.1	29%	0.294	62%	0.623	S	S	.	*	H	α-helix	trans	-60.9	-45.4	171.4	-66.9	175.9	16.3	0	0	111.6	D46 R52 S53 L54	D46-Q50 WeakPolarHBondContact O-CG 3.18Å; D46-Q50 PolarHBondContact O-N 3.07Å; D46-Q50 PolarHBondContact OD1-NE2 3.32Å; D46-Q50 PolarHBondContact OD2-NE2 3.44Å; Q50-R52 VanDerWaalsContact C-N 3.3Å; Q50-R52 PolarHBondContact O-N 2.88Å; Q50-S53 PolarHBondContact O-N 3.35Å; Q50-S53 PolarHBondContact O-OG 3.49Å; Q50-L54 PolarHBondContact O-N 3.2Å
51	L	65.5	Low	55.4	Low	104 Å²	104	113.8 Å²	113.8	55%	0.545	62%	0.622	S	S	.	*	H	α-helix	trans	-63.3	-34.2	176	-77.3	166.1	0	0	0	113	V47 E48 L54	V47-L51 HydrophobicContact CG1-CD1 4.17Å; V47-L51 WeakPolarHBondContact O-CB 3.37Å; V47-L51 WeakPolarHBondContact O-CD1 3.43Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 3.1Å; E48-L51 PolarHBondContact O-N 3.38Å; L51-L54 HydrophobicContact CD2-CD1 4.31Å; L51-L54 PolarHBondContact O-N 3.1Å
52	R	63.6	Low	55.4	Low	160 Å²	160	115.6 Å²	115.6	60%	0.604	63%	0.628	S	S	*	*	H	α-helix	trans	-68.8	-35.4	174.3	-69.7	164.3	-167.7	-146.6	6.9	111.7	E48 Q49 Q50 L54 T55	E48-R52 WeakPolarHBondContact O-CB 3.22Å; E48-R52 WeakPolarHBondContact O-CD 3.18Å; E48-R52 WeakPolarHBondContact O-CG 3.29Å; E48-R52 PolarHBondContact O-N 3.47Å; E48-R52 IonicContact OE2-CZ 3.32Å; E48-R52 IonicContact OE2-NE 2.61Å; E48-R52 PolarHBondContact OE2-NE 2.83Å; E48-R52 IonicContact OE2-NH2 3.13Å; E48-R52 PolarHBondContact OE2-NH2 3.21Å; Q49-R52 PolarHBondContact O-N 3.39Å; Q50-R52 VanDerWaalsContact C-N 3.3Å; Q50-R52 PolarHBondContact O-N 2.88Å; R52-L54 PolarHBondContact O-N 2.82Å; R52-T55 WeakPolarHBondContact O-CB 3.06Å; R52-T55 PolarHBondContact O-N 3.35Å; R52-T55 VanDerWaalsContact O-N 3.09Å; R52-T55 PolarHBondContact O-OG1 3.32Å
53	S	62.2	Low	55.3	Low	96 Å²	96	116.2 Å²	116.2	67%	0.671	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-18	175.9	78.9	0	0	0	0	113.8	Q49 Q50 T55	Q49-S53 PolarHBondContact O-N 3.18Å; Q50-S53 PolarHBondContact O-N 3.35Å; Q50-S53 PolarHBondContact O-OG 3.49Å; S53-T55 PolarHBondContact O-N 2.96Å
54	L	55.9	Low	55	Low	74 Å²	74	118.8 Å²	118.8	39%	0.387	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-4.5	170	-56.9	-175.2	0	0	0	114	Q50 L51 R52 L56 H200 L201	Q50-L54 PolarHBondContact O-N 3.2Å; L51-L54 HydrophobicContact CD2-CD1 4.31Å; L51-L54 PolarHBondContact O-N 3.1Å; R52-L54 PolarHBondContact O-N 2.82Å; L54-L56 PolarHBondContact O-N 3.43Å; L54-L56 VanDerWaalsContact O-N 3.17Å; L54-H200 VanDerWaalsContact CD2-NE2 3.31Å; L54-H200 WeakPolarHBondContact CD2-NE2 3.24Å; L54-L201 HydrophobicContact CD1-CD2 4.3Å
55	T	48.5	Very low	54.6	Low	103 Å²	103	117 Å²	117	63%	0.632	64%	0.637	S	S	*	*	S	Bend	trans	-73.3	108.1	173	59.9	0	0	0	0	109.6	R52 S53 S57	R52-T55 WeakPolarHBondContact O-CB 3.06Å; R52-T55 PolarHBondContact O-N 3.35Å; R52-T55 VanDerWaalsContact O-N 3.09Å; R52-T55 PolarHBondContact O-OG1 3.32Å; S53-T55 PolarHBondContact O-N 2.96Å; T55-S57 PolarHBondContact O-N 2.97Å
56	L	54.7	Low	54	Low	164 Å²	164	118.3 Å²	118.3	86%	0.859	65%	0.649	S	S	*	*			trans	-64.4	95.3	176.2	-67.5	173.4	0	0	0	110	L54 D58	L54-L56 PolarHBondContact O-N 3.43Å; L54-L56 VanDerWaalsContact O-N 3.17Å; L56-D58 PolarHBondContact O-N 3.34Å
57	S	53.4	Low	52.8	Low	95 Å²	95	118.5 Å²	118.5	66%	0.664	65%	0.652	S	S	*	*			trans	-70.8	106.7	162.1	49.7	0	0	0	0	108.8	T55 S59	T55-S57 PolarHBondContact O-N 2.97Å; S57-S59 PolarHBondContact O-N 3.38Å
58	D	50.5	Low	51.7	Low	161 Å²	161	121.5 Å²	121.5	86%	0.861	66%	0.659	S	S	*	*			trans	-66.5	79.3	175.2	-86.4	-34.7	0	0	0	111	L56	L56-D58 PolarHBondContact O-N 3.34Å
59	S	45.3	Very low	50.8	Low	88 Å²	88	125.4 Å²	125.4	62%	0.615	67%	0.674	S	S	*	*			trans	-129.4	57.6	176.9	65	0	0	0	0	111.5	S57 I61	S57-S59 PolarHBondContact O-N 3.38Å; S59-I61 PolarHBondContact O-N 3.01Å
60	C	48.4	Very low	49.8	Very low	129 Å²	129	129.7 Å²	129.7	87%	0.872	69%	0.691	S	S	*	*			trans	-76	111.3	169.4	-57.9	0	0	0	0	109.6
61	I	48.9	Very low	48.4	Very low	143 Å²	143	135.6 Å²	135.6	73%	0.733	72%	0.716	S	S	*	*			trans	-112.3	157.4	171.4	-69.9	177.3	0	0	0	108.2	S59	S59-I61 PolarHBondContact O-N 3.01Å
62	D	46.2	Very low	47.2	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	72%	0.722	S	S	*	*	S	Bend	trans	65.6	92.7	-179.7	-59	-17.4	0	0	0	116.9
63	D	42.3	Very low	46.1	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	71%	0.709	S	S	*	*				45.3	97.6	120	-63.1	-2.6	0	0	0	118.4
64	N	45.9	Very low	44.8	Very low	161 Å²	161	136.4 Å²	136.4	86%	0.861	72%	0.721	S	S	*	*				-168.6	130.9	107.5	-100.5	-72.9	0	0	0	112.4	C66	N64-C66 PolarHBondContact O-N 2.98Å; N64-C66 VanDerWaalsContact O-N 3.1Å
65	E	43.1	Very low	44.3	Very low	144 Å²	144	138.2 Å²	138.2	67%	0.673	73%	0.727	S	S	*	*			trans	32.6	52.8	164.5	-147.5	-165.8	146.2	0	0	120.2	V67 R271	E65-V67 HydrophobicContact CG-CB 4.28Å; E65-V67 HydrophobicContact CG-CG2 3.64Å; E65-V67 PolarHBondContact O-N 2.67Å; E65-R271 IonicContact OE1-NH1 2.79Å
66	C	40.2	Very low	43.9	Very low	121 Å²	121	142.5 Å²	142.5	82%	0.818	74%	0.737	S	S	*	*			trans	-74.9	58.7	166	-166.3	0	0	0	0	112.5	N64 F68	N64-C66 PolarHBondContact O-N 2.98Å; N64-C66 VanDerWaalsContact O-N 3.1Å; C66-F68 VanDerWaalsContact C-N 3.27Å; C66-F68 PolarHBondContact O-N 2.76Å
67	V	38.2	Very low	43.5	Very low	85 Å²	85	139.1 Å²	139.1	52%	0.515	72%	0.72	S	S	.	*			trans	-84	72.4	177.5	-177.3	0	0	0	0	109.8	E65 R271	E65-V67 HydrophobicContact CG-CB 4.28Å; E65-V67 HydrophobicContact CG-CG2 3.64Å; E65-V67 PolarHBondContact O-N 2.67Å; V67-R271 PolarHBondContact O-NH2 3.42Å
68	F	41.8	Very low	42.9	Very low	145 Å²	145	139.7 Å²	139.7	64%	0.636	72%	0.724	S	S	*	*	S	Bend	trans	-126.3	123.1	155.8	-128.2	-84	0	0	0	108.8	C66 K70	C66-F68 VanDerWaalsContact C-N 3.27Å; C66-F68 PolarHBondContact O-N 2.76Å; F68-K70 PolarHBondContact O-N 2.75Å
69	K	39.5	Very low	42.6	Very low	189 Å²	189	139.8 Å²	139.8	82%	0.822	72%	0.718	S	S	*	*			trans	-73.5	92.7	-154	-65.2	171.6	-178.2	170.6	0	113.3	K71	K69-K71 PolarHBondContact O-N 3.04Å
70	K	44.9	Very low	42.5	Very low	216 Å²	216	143 Å²	143	94%	0.939	73%	0.729	S	S	*	*			trans	-64.4	29.8	161.5	-70.4	-174	175.8	178.5	0	113.7	F68	F68-K70 PolarHBondContact O-N 2.75Å
71	K	37.1	Very low	42.4	Very low	188 Å²	188	143.1 Å²	143.1	82%	0.817	72%	0.721	S	S	*	*			trans	-120.1	52.9	-172.8	-160.8	174.5	-178.5	174	0	112.5	K69	K69-K71 PolarHBondContact O-N 3.04Å
72	L	41.3	Very low	42.7	Very low	129 Å²	129	139 Å²	139	68%	0.675	71%	0.714	S	S	*	*	S	Bend	trans	-160.4	151.9	160	-117.9	146.3	0	0	0	110.1
73	F	39.3	Very low	43.3	Very low	73 Å²	73	139.2 Å²	139.2	32%	0.32	72%	0.715	S	S	.	*			trans	73.6	33.7	170.7	-127.3	-89.8	0	0	0	119.7	Q75 P175	F73-Q75 HydrophobicContact CE1-CB 4.48Å; F73-Q75 HydrophobicContact CZ-CB 4.44Å; F73-Q75 PolarHBondContact O-N 3.45Å; F73-P175 HydrophobicContact CD1-CG 3.79Å; F73-P175 HydrophobicContact CE1-CG 3.67Å; F73-P175 HydrophobicContact CG-CG 4.37Å; F73-P175 HydrophobicContact CZ-CG 4.17Å
74	N	35.1	Very low	44.5	Very low	174 Å²	174	135.9 Å²	135.9	93%	0.93	70%	0.703	S	S	*	*			trans	-82.6	47.9	146.3	-86.6	-1.1	0	0	0	110.8	K76	N74-K76 PolarHBondContact O-N 3Å; N74-K76 VanDerWaalsContact O-N 3.16Å
75	Q	46.7	Very low	45.8	Very low	112 Å²	112	133.5 Å²	133.5	52%	0.523	69%	0.687	S	S	.	*			trans	-81.4	94.8	169.7	-167.4	170.8	18.9	0	0	108.1	F73 L77	F73-Q75 HydrophobicContact CE1-CB 4.48Å; F73-Q75 HydrophobicContact CZ-CB 4.44Å; F73-Q75 PolarHBondContact O-N 3.45Å; Q75-L77 PolarHBondContact O-N 3.34Å
76	K	39.9	Very low	47.4	Very low	194 Å²	194	127.7 Å²	127.7	84%	0.843	66%	0.662	S	S	*	*			trans	-55.7	103.3	174.1	-176.4	179.5	-178.1	-178.7	0	108.7	N74 S78	N74-K76 PolarHBondContact O-N 3Å; N74-K76 VanDerWaalsContact O-N 3.16Å; K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.16Å
77	L	45.8	Very low	49.1	Very low	93 Å²	93	127.3 Å²	127.3	49%	0.487	66%	0.655	S	S	.	*			trans	-61.6	95.8	171.3	-83.3	161.7	0	0	0	107.9	Q75 R173	Q75-L77 PolarHBondContact O-N 3.34Å; L77-R173 HydrophobicContact CD1-CG 4.12Å
78	S	40.9	Very low	51.1	Low	107 Å²	107	124.2 Å²	124.2	75%	0.748	64%	0.636	S	S	*	*			trans	-63	136.9	172.4	-167.7	0	0	0	0	108.6	K76	K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.16Å
79	H	44.2	Very low	53.1	Low	162 Å²	162	123.2 Å²	123.2	75%	0.75	63%	0.628	S	S	*	*	S	Bend	trans	-60.6	155.5	156.2	-91.2	-113.1	0	0	0	109.3
80	N	42.7	Very low	55.3	Low	156 Å²	156	117 Å²	117	83%	0.834	60%	0.603	S	S	*	*			trans	75.9	62.8	170.2	-47.8	-13.9	0	0	0	116.9
81	D	46.5	Very low	57.3	Low	131 Å²	131	115 Å²	115	70%	0.701	59%	0.594	S	S	*	*				-146.9	148.7	115.3	-167	9.9	0	0	0	109.5
82	G	55.1	Low	59.7	Low	58 Å²	58	108.4 Å²	108.4	60%	0.598	57%	0.568	S	S	*	*	S	Bend	trans	-84.7	-22.5	-168	0	0	0	0	0	115.5
83	N	59.4	Low	62.2	Low	140 Å²	140	102.4 Å²	102.4	75%	0.749	54%	0.537	S	S	*	.	S	Bend	trans	-126.8	0.2	-164.7	-74.3	-38.3	0	0	0	115.6	E85	N83-E85 PolarHBondContact O-N 3.39Å
84	S	66.6	Low	64.8	Low	75 Å²	75	103.1 Å²	103.1	52%	0.524	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-73.3	122.5	178.6	60.8	0	0	0	0	111.6
85	E	73.4	Confident	67.7	Low	112 Å²	112	95.5 Å²	95.5	52%	0.523	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-63.8	133.5	172.1	-67.9	-139.8	144.7	0	0	111.1	N83 L165 K168	N83-E85 PolarHBondContact O-N 3.39Å; E85-L165 HydrophobicContact CG-CD1 4.37Å; E85-K168 WeakPolarHBondContact OE1-CD 3.34Å; E85-K168 IonicContact OE1-NZ 2.74Å; E85-K168 PolarHBondContact OE1-NZ 2.89Å; E85-K168 IonicContact OE2-NZ 2.71Å; E85-K168 PolarHBondContact OE2-NZ 2.91Å
86	P	76.2	Confident	70	Confident	22 Å²	22	90.2 Å²	90.2	14%	0.143	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-70.9	136.1	179.2	29.1	-35.5	0	0	0	111.6	I88 K168 L169 A172	P86-I88 VanDerWaalsContact C-N 3.32Å; P86-I88 HydrophobicContact CB-CD1 4.42Å; P86-I88 HydrophobicContact CB-CG1 4.32Å; P86-I88 HydrophobicContact CG-CD1 3.92Å; P86-I88 HydrophobicContact CG-CG1 4.33Å; P86-I88 PolarHBondContact O-N 3.5Å; P86-K168 HydrophobicContact CG-CB 3.92Å; P86-L169 HydrophobicContact CB-CD2 4.25Å; P86-L169 HydrophobicContact CG-CD2 3.98Å; P86-L169 HydrophobicContact CG-CG 4.35Å; P86-A172 HydrophobicContact CB-CB 3.58Å; P86-A172 HydrophobicContact CG-CB 3.91Å
87	V	76.2	Confident	72.7	Confident	112 Å²	112	81 Å²	81	68%	0.679	44%	0.435	S	S	*	.			trans	-74.6	81.8	-179.2	-173.7	0	0	0	0	110.9
88	I	80.5	Confident	75.1	Confident	20 Å²	20	76.6 Å²	76.6	10%	0.103	41%	0.412	C	S	.	.			trans	-96.5	146.8	177.3	-60.8	165.2	0	0	0	110.1	P86 L90 F93 K168 I171 A172	P86-I88 VanDerWaalsContact C-N 3.32Å; P86-I88 HydrophobicContact CB-CD1 4.42Å; P86-I88 HydrophobicContact CB-CG1 4.32Å; P86-I88 HydrophobicContact CG-CD1 3.92Å; P86-I88 HydrophobicContact CG-CG1 4.33Å; P86-I88 PolarHBondContact O-N 3.5Å; I88-L90 VanDerWaalsContact C-N 3.3Å; I88-L90 HydrophobicContact CB-CD1 3.96Å; I88-L90 HydrophobicContact CG2-CD1 4.34Å; I88-L90 VanDerWaalsContact O-CD1 3.26Å; I88-L90 WeakPolarHBondContact O-CD1 3.47Å; I88-L90 PolarHBondContact O-N 3.39Å; I88-F93 HydrophobicContact CG2-CD2 3.52Å; I88-F93 HydrophobicContact CG2-CE2 3.22Å; I88-F93 HydrophobicContact CG2-CZ 4.13Å; I88-K168 HydrophobicContact CD1-CB 4.34Å; I88-K168 WeakPolarHBondContact CD1-O 3.49Å; I88-I171 HydrophobicContact CD1-CB 4.16Å; I88-I171 HydrophobicContact CD1-CG2 4.27Å; I88-I171 HydrophobicContact CG2-CG2 4.42Å; I88-A172 HydrophobicContact CD1-CB 3.94Å; I88-A172 HydrophobicContact CG1-CB 4.07Å
89	R	84.3	Confident	77.8	Confident	125 Å²	125	71.5 Å²	71.5	47%	0.472	38%	0.376	S	S	.	.			trans	-75.7	79.1	166.7	-63.6	-163.3	-53	-97.6	-3	110.9	K91 D92 F93	R89-K91 PolarHBondContact O-N 2.93Å; R89-D92 IonicContact CZ-OD2 3.94Å; R89-D92 IonicContact NE-OD1 2.75Å; R89-D92 IonicContact NE-OD2 2.67Å; R89-D92 PolarHBondContact NE-OD2 3.05Å; R89-D92 IonicContact NH2-OD2 3.71Å; R89-D92 PolarHBondContact NH2-OD2 3.04Å; R89-D92 WeakPolarHBondContact O-CB 3.18Å; R89-D92 PolarHBondContact O-N 3.4Å; R89-F93 WeakPolarHBondContact O-CD2 3.36Å; R89-F93 WeakPolarHBondContact O-CE2 3.41Å
90	L	84.9	Confident	80.2	Confident	59 Å²	59	66.6 Å²	66.6	31%	0.309	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-45.3	-34.4	-178	-88.8	52.5	0	0	0	114.3	I88 D92 F93 N161	I88-L90 VanDerWaalsContact C-N 3.3Å; I88-L90 HydrophobicContact CB-CD1 3.96Å; I88-L90 HydrophobicContact CG2-CD1 4.34Å; I88-L90 VanDerWaalsContact O-CD1 3.26Å; I88-L90 WeakPolarHBondContact O-CD1 3.47Å; I88-L90 PolarHBondContact O-N 3.39Å; L90-D92 PolarHBondContact O-N 2.96Å; L90-F93 PolarHBondContact O-N 3.15Å; L90-F93 VanDerWaalsContact O-N 3.14Å; L90-N161 HydrophobicContact CD2-CB 4.1Å
91	K	86.7	Confident	82.6	Confident	173 Å²	173	64.3 Å²	64.3	75%	0.752	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.7	176.7	-64.6	-173.4	178.3	-175.7	0	113.9	R89 F93 Q94	R89-K91 PolarHBondContact O-N 2.93Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 2.85Å; K91-Q94 WeakPolarHBondContact O-CG 3.3Å; K91-Q94 PolarHBondContact O-NE2 2.92Å
92	D	88.6	Confident	84.9	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.262	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-84	-1.6	-175.7	-56.5	8.6	0	0	0	112.7	R89 L90 H95	R89-D92 IonicContact CZ-OD2 3.94Å; R89-D92 IonicContact NE-OD1 2.75Å; R89-D92 IonicContact NE-OD2 2.67Å; R89-D92 PolarHBondContact NE-OD2 3.05Å; R89-D92 IonicContact NH2-OD2 3.71Å; R89-D92 PolarHBondContact NH2-OD2 3.04Å; R89-D92 WeakPolarHBondContact O-CB 3.18Å; R89-D92 PolarHBondContact O-N 3.4Å; L90-D92 PolarHBondContact O-N 2.96Å; D92-H95 PolarHBondContact O-CE1 3.44Å; D92-H95 VanDerWaalsContact O-CE1 3.27Å
93	F	93.5	Very high	86.7	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.018	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-128.1	18.9	-173.4	-53.5	-76.5	0	0	0	112.5	I88 R89 L90 K91 H95 I96 I160 I171 P175 W178 T179	I88-F93 HydrophobicContact CG2-CD2 3.52Å; I88-F93 HydrophobicContact CG2-CE2 3.22Å; I88-F93 HydrophobicContact CG2-CZ 4.13Å; R89-F93 WeakPolarHBondContact O-CD2 3.36Å; R89-F93 WeakPolarHBondContact O-CE2 3.41Å; L90-F93 PolarHBondContact O-N 3.15Å; L90-F93 VanDerWaalsContact O-N 3.14Å; K91-F93 VanDerWaalsContact C-N 3.26Å; K91-F93 PolarHBondContact O-N 2.85Å; F93-H95 PolarHBondContact O-N 2.93Å; F93-I96 HydrophobicContact CB-CD1 4.16Å; F93-I96 HydrophobicContact CD1-CD1 4.02Å; F93-I96 WeakPolarHBondContact O-CB 3.38Å; F93-I96 PolarHBondContact O-N 3.29Å; F93-I160 HydrophobicContact CB-CG1 4.36Å; F93-I160 HydrophobicContact CB-CG2 4.05Å; F93-I160 WeakPolarHBondContact O-CG2 3.35Å; F93-I171 HydrophobicContact CD1-CD1 4.43Å; F93-I171 HydrophobicContact CD1-CG2 3.89Å; F93-I171 HydrophobicContact CD2-CG2 4.46Å; F93-I171 HydrophobicContact CE1-CG2 3.73Å; F93-I171 HydrophobicContact CE2-CG2 4.35Å; F93-I171 HydrophobicContact CG-CG2 4.26Å; F93-I171 HydrophobicContact CZ-CG2 3.98Å; F93-P175 HydrophobicContact CZ-CB 4.19Å; F93-W178 HydrophobicContact CD1-CB 3.82Å; F93-W178 HydrophobicContact CE1-CB 3.71Å; F93-T179 WeakPolarHBondContact CE1-OG1 3.42Å
94	Q	93.9	Very high	88.3	Confident	88 Å²	88	58.7 Å²	58.7	41%	0.411	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-178.7	-68.7	175.6	85.5	0	0	113.9	K91 I96 N140	K91-Q94 WeakPolarHBondContact O-CG 3.3Å; K91-Q94 PolarHBondContact O-NE2 2.92Å; Q94-I96 PolarHBondContact O-N 2.61Å; Q94-N140 HydrophobicContact CB-CB 4.39Å; Q94-N140 PolarHBondContact OE1-ND2 3.08Å; Q94-N140 VanDerWaalsContact OE1-ND2 3.11Å
95	H	95	Very high	89.5	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.065	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	10.1	171.2	61.7	-78.2	0	0	0	113.4	D92 F93 F137 W178 P181	D92-H95 PolarHBondContact O-CE1 3.44Å; D92-H95 VanDerWaalsContact O-CE1 3.27Å; F93-H95 PolarHBondContact O-N 2.93Å; H95-F137 PolarHBondContact O-N 3.42Å; H95-W178 PolarHBondContact CE1-O 3.13Å; H95-W178 PolarHBondContact NE2-O 3.06Å; H95-P181 VanDerWaalsContact CD2-CA 3.49Å; H95-P181 WeakPolarHBondContact CD2-CA 3.5Å
96	I	96.3	Very high	90.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.4	-179.3	-50.6	-175.8	0	0	0	110.2	F93 Q94 L134 A135 V136 I171 W178	F93-I96 HydrophobicContact CB-CD1 4.16Å; F93-I96 HydrophobicContact CD1-CD1 4.02Å; F93-I96 WeakPolarHBondContact O-CB 3.38Å; F93-I96 PolarHBondContact O-N 3.29Å; Q94-I96 PolarHBondContact O-N 2.61Å; I96-L134 HydrophobicContact CG2-CB 4.26Å; I96-L134 HydrophobicContact CG2-CD2 3.78Å; I96-A135 WeakPolarHBondContact CA-O 3.33Å; I96-V136 HydrophobicContact CD1-CG2 4.19Å; I96-V136 HydrophobicContact CG1-CG1 4.27Å; I96-V136 HydrophobicContact CG1-CG2 4.11Å; I96-V136 HydrophobicContact CG2-CG2 4.22Å; I96-I171 HydrophobicContact CD1-CD1 3.94Å; I96-I171 HydrophobicContact CG2-CD1 4.5Å; I96-W178 HydrophobicContact CD1-CB 3.89Å; I96-W178 HydrophobicContact CD1-CE3 4.04Å
97	L	96.5	Very high	91.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.4	168.3	-57.2	-177.3	0	0	0	110.6	L134 A135 F137 A143 A146 L147 A157 R158 K159	L97-L134 WeakPolarHBondContact O-CA 3.43Å; L97-A135 PolarHBondContact N-O 3.43Å; L97-A135 PolarHBondContact O-N 3.05Å; L97-F137 HydrophobicContact CB-CE2 4.22Å; L97-F137 HydrophobicContact CD1-CE2 3.78Å; L97-F137 HydrophobicContact CD1-CZ 4.26Å; L97-F137 HydrophobicContact CG-CD2 4.38Å; L97-F137 HydrophobicContact CG-CE2 3.84Å; L97-A143 WeakPolarHBondContact CD1-O 3.42Å; L97-A143 HydrophobicContact CD2-CB 4.23Å; L97-A143 HydrophobicContact CG-CB 4.21Å; L97-A146 HydrophobicContact CD1-CB 3.97Å; L97-L147 HydrophobicContact CD1-CB 4.08Å; L97-L147 HydrophobicContact CD2-CB 4.35Å; L97-A157 HydrophobicContact CD1-CB 4.16Å; L97-R158 WeakPolarHBondContact CA-O 3.09Å; L97-K159 HydrophobicContact CD2-CG 4.28Å
98	E	96.6	Very high	92	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.8	159.9	-176.5	-177.4	-127.1	0	0	109.2	H132 L134 A157 R158 A163 S164 S167	E98-H132 IonicContact OE1-CD2 3.58Å; E98-H132 IonicContact OE1-CG 3.85Å; E98-L134 HydrophobicContact CB-CD2 4.14Å; E98-A157 CarbonylContact O-C 3.43Å; E98-A157 WeakPolarHBondContact O-CA 3.34Å; E98-R158 HydrophobicContact CB-CG 4.25Å; E98-R158 PolarHBondContact N-O 3.44Å; E98-R158 PolarHBondContact O-N 3.26Å; E98-R158 IonicContact OE2-CZ 3.1Å; E98-R158 IonicContact OE2-NE 2.74Å; E98-R158 PolarHBondContact OE2-NE 2.97Å; E98-R158 IonicContact OE2-NH2 2.66Å; E98-R158 PolarHBondContact OE2-NH2 2.79Å; E98-A163 HydrophobicContact CB-CB 3.93Å; E98-A163 WeakPolarHBondContact OE2-CA 3.46Å; E98-S164 VanDerWaalsContact OE1-CB 3.27Å; E98-S164 WeakPolarHBondContact OE1-CB 3.43Å; E98-S164 PolarHBondContact OE1-N 3.46Å; E98-S164 PolarHBondContact OE1-OG 2.98Å; E98-S164 PolarHBondContact OE2-N 2.83Å; E98-S167 VanDerWaalsContact CD-OG 3.29Å; E98-S167 VanDerWaalsContact OE1-CB 3.24Å; E98-S167 WeakPolarHBondContact OE1-CB 3.48Å; E98-S167 PolarHBondContact OE1-OG 3.45Å
99	L	96.5	Very high	92.6	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.1	163.2	-52.8	179.8	0	0	0	108.2	F102 L111 L115 L125 H132 C133 A135 I150 M155 K156 A157	L99-F102 HydrophobicContact CB-CE1 4.14Å; L99-F102 WeakPolarHBondContact O-CE1 3.38Å; L99-L111 HydrophobicContact CD1-CB 4.27Å; L99-L111 HydrophobicContact CD1-CD1 4.44Å; L99-L111 HydrophobicContact CD1-CD2 4.14Å; L99-L115 HydrophobicContact CD1-CD1 4.21Å; L99-L125 HydrophobicContact CD1-CD2 4.12Å; L99-H132 WeakPolarHBondContact O-CA 3.13Å; L99-C133 HydrophobicContact CB-CB 4.46Å; L99-C133 PolarHBondContact N-O 2.69Å; L99-C133 PolarHBondContact O-N 2.92Å; L99-A135 HydrophobicContact CD1-CB 4.18Å; L99-A135 HydrophobicContact CG-CB 4.17Å; L99-I150 HydrophobicContact CD2-CD1 3.81Å; L99-M155 HydrophobicContact CD1-SD 4.13Å; L99-M155 HydrophobicContact CD2-SD 4.42Å; L99-K156 CarbonylContact C-O 3.3Å; L99-K156 WeakPolarHBondContact CA-O 3.48Å; L99-A157 HydrophobicContact CD2-CB 3.92Å
100	Y	95.4	Very high	93	Very high	59 Å²	59	61.2 Å²	61.2	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	176.8	-174.1	75.6	-73.9	0	0	0	112.1	F102 K156 R158	Y100-F102 VanDerWaalsContact C-N 3.29Å; Y100-F102 PolarHBondContact O-N 3.01Å; Y100-K156 HydrophobicContact CD1-CB 3.98Å; Y100-K156 WeakPolarHBondContact CD1-O 3.37Å; Y100-K156 HydrophobicContact CE1-CB 3.48Å; Y100-K156 VanDerWaalsContact CE1-CB 3.48Å; Y100-K156 HydrophobicContact CE2-CB 4.23Å; Y100-K156 PolarHBondContact N-O 3.35Å; Y100-K156 PolarHBondContact O-N 2.96Å; Y100-R158 HydrophobicContact CD1-CG 3.9Å; Y100-R158 HydrophobicContact CE1-CB 3.97Å; Y100-R158 HydrophobicContact CE1-CG 3.73Å
101	N	93.3	Very high	93.5	Very high	107 Å²	107	58.4 Å²	58.4	57%	0.572	28%	0.281	S	S	*	.	S	Bend	trans	60.2	32.9	176.5	-155.5	103.9	0	0	0	113.9	K156	N101-K156 HydrophobicContact CB-CB 4.42Å; N101-K156 HydrophobicContact CB-CD 4.3Å; N101-K156 HydrophobicContact CB-CG 4.44Å
102	F	93.7	Very high	93.8	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.031	26%	0.261	C	S	.	.			trans	-111.7	155.2	174.8	60	-105.7	0	0	0	111.8	L99 Y100 F106 L111 W127 D130 T131 C133 F154 M155	L99-F102 HydrophobicContact CB-CE1 4.14Å; L99-F102 WeakPolarHBondContact O-CE1 3.38Å; Y100-F102 VanDerWaalsContact C-N 3.29Å; Y100-F102 PolarHBondContact O-N 3.01Å; F102-F106 HydrophobicContact CB-CD1 3.74Å; F102-F106 HydrophobicContact CB-CE1 3.92Å; F102-F106 HydrophobicContact CB-CG 4.33Å; F102-F106 HydrophobicContact CD2-CB 3.77Å; F102-F106 AromaticContact CD2-CD1 4Å; F102-F106 HydrophobicContact CD2-CD1 4Å; F102-F106 HydrophobicContact CD2-CG 4.06Å; F102-F106 HydrophobicContact CE2-CB 4.19Å; F102-F106 HydrophobicContact CG-CD1 4.03Å; F102-L111 HydrophobicContact CD1-CD2 4.08Å; F102-L111 HydrophobicContact CE1-CD2 3.98Å; F102-L111 HydrophobicContact CG-CD2 4.45Å; F102-L111 HydrophobicContact CZ-CD2 4.27Å; F102-W127 AromaticContact CE2-CH2 3.69Å; F102-W127 HydrophobicContact CE2-CH2 3.69Å; F102-W127 AromaticContact CE2-CZ3 3.55Å; F102-W127 HydrophobicContact CE2-CZ3 3.55Å; F102-W127 HydrophobicContact CZ-CE3 4.49Å; F102-W127 AromaticContact CZ-CH2 3.91Å; F102-W127 HydrophobicContact CZ-CH2 3.91Å; F102-W127 AromaticContact CZ-CZ3 3.6Å; F102-W127 HydrophobicContact CZ-CZ3 3.6Å; F102-D130 WeakPolarHBondContact CE2-O 3.32Å; F102-T131 VanDerWaalsContact CZ-C 3.4Å; F102-C133 HydrophobicContact CE1-CB 4.38Å; F102-C133 HydrophobicContact CZ-CB 4.21Å; F102-F154 WeakPolarHBondContact CB-O 3.47Å; F102-M155 HydrophobicContact CB-CB 3.91Å; F102-M155 HydrophobicContact CD1-CB 4.05Å; F102-M155 HydrophobicContact CG-CB 4.43Å
103	P	93.6	Very high	94	Very high	67 Å²	67	54.3 Å²	54.3	44%	0.435	28%	0.275	S	S	.	.			trans	-59.6	147.3	179.8	-25.5	34.6	0	0	0	114.6	D105 F106	P103-D105 PolarHBondContact O-N 3.04Å; P103-F106 HydrophobicContact CB-CD2 4.02Å; P103-F106 HydrophobicContact CB-CE2 4.18Å; P103-F106 HydrophobicContact CG-CD2 4.11Å; P103-F106 HydrophobicContact CG-CE2 3.78Å; P103-F106 HydrophobicContact CG-CZ 4.39Å; P103-F106 WeakPolarHBondContact O-CB 3.37Å; P103-F106 PolarHBondContact O-N 3.23Å; P103-F106 VanDerWaalsContact O-N 3.09Å
104	K	91.9	Very high	93.9	Very high	137 Å²	137	55.6 Å²	55.6	60%	0.596	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.5	179.9	-72.2	-178.6	-178.7	173.6	0	114.3	K4 F106 D130 T131	K4-K104 WeakPolarHBondContact CE-O 3.15Å; K4-K104 PolarHBondContact NZ-O 3.25Å; K104-F106 VanDerWaalsContact C-N 3.35Å; K104-D130 HydrophobicContact CB-CB 4.42Å; K104-D130 HydrophobicContact CG-CB 4.09Å; K104-T131 HydrophobicContact CD-CG2 4.5Å; K104-T131 HydrophobicContact CG-CG2 3.57Å
105	D	93.1	Very high	93.8	Very high	133 Å²	133	51.4 Å²	51.4	71%	0.711	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.2	179.5	-50.9	-68.1	0	0	0	113	P103	P103-D105 PolarHBondContact O-N 3.04Å
106	F	92.8	Very high	93.7	Very high	22 Å²	22	54.4 Å²	54.4	10%	0.096	28%	0.28	C	S	.	.			trans	-59.5	145.2	-179.1	-86.1	-147	0	0	0	112.4	K4 F102 P103 K104 H110 L111 W127 F154 M155	K4-F106 PolarHBondContact NZ-O 2.88Å; F102-F106 HydrophobicContact CB-CD1 3.74Å; F102-F106 HydrophobicContact CB-CE1 3.92Å; F102-F106 HydrophobicContact CB-CG 4.33Å; F102-F106 HydrophobicContact CD2-CB 3.77Å; F102-F106 AromaticContact CD2-CD1 4Å; F102-F106 HydrophobicContact CD2-CD1 4Å; F102-F106 HydrophobicContact CD2-CG 4.06Å; F102-F106 HydrophobicContact CE2-CB 4.19Å; F102-F106 HydrophobicContact CG-CD1 4.03Å; P103-F106 HydrophobicContact CB-CD2 4.02Å; P103-F106 HydrophobicContact CB-CE2 4.18Å; P103-F106 HydrophobicContact CG-CD2 4.11Å; P103-F106 HydrophobicContact CG-CE2 3.78Å; P103-F106 HydrophobicContact CG-CZ 4.39Å; P103-F106 WeakPolarHBondContact O-CB 3.37Å; P103-F106 PolarHBondContact O-N 3.23Å; P103-F106 VanDerWaalsContact O-N 3.09Å; K104-F106 VanDerWaalsContact C-N 3.35Å; F106-H110 HydrophobicContact CB-CB 4.27Å; F106-H110 HydrophobicContact CD1-CB 3.65Å; F106-H110 HydrophobicContact CD2-CB 4.49Å; F106-H110 AromaticContact CD2-ND1 3.99Å; F106-H110 HydrophobicContact CE1-CB 4.03Å; F106-H110 AromaticContact CE2-ND1 3.9Å; F106-H110 HydrophobicContact CG-CB 3.9Å; F106-L111 HydrophobicContact CD1-CD2 4.27Å; F106-W127 WeakPolarHBondContact O-CH2 3.49Å; F106-F154 HydrophobicContact CE1-CB 4.11Å; F106-F154 HydrophobicContact CZ-CB 4.05Å; F106-M155 HydrophobicContact CE1-CE 4.24Å
107	Q	92.1	Very high	93.4	Very high	111 Å²	111	56.9 Å²	56.9	52%	0.519	31%	0.306	S	S	.	.			trans	-125.6	174.8	-179.9	-52.4	-173	12.2	0	0	109.6	F109 H110 L111	Q107-F109 VanDerWaalsContact C-N 3.27Å; Q107-F109 HydrophobicContact CB-CD1 3.87Å; Q107-F109 HydrophobicContact CB-CE1 3.91Å; Q107-F109 HydrophobicContact CG-CE1 4.22Å; Q107-F109 PolarHBondContact O-N 3.44Å; Q107-H110 PolarHBondContact N-CD2 3.43Å; Q107-H110 WeakPolarHBondContact O-CB 3.4Å; Q107-H110 PolarHBondContact O-N 3.35Å; Q107-L111 PolarHBondContact O-N 2.81Å
108	N	92.4	Very high	93.2	Very high	69 Å²	69	57 Å²	57	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-43.4	-51.5	176.3	-95.9	52.2	0	0	0	113.1	H110 L111 E112 W127	N108-H110 VanDerWaalsContact C-N 3.26Å; N108-H110 PolarHBondContact O-N 2.91Å; N108-L111 WeakPolarHBondContact O-CB 3.21Å; N108-L111 PolarHBondContact O-N 3.25Å; N108-E112 WeakPolarHBondContact CB-OE1 3.5Å; N108-E112 PolarHBondContact ND2-OE1 3.5Å; N108-E112 WeakPolarHBondContact O-CB 3.36Å; N108-E112 WeakPolarHBondContact O-CG 3.28Å; N108-E112 PolarHBondContact O-N 3.09Å; N108-W127 PolarHBondContact OD1-NE1 3.18Å
109	F	93.6	Very high	92.9	Very high	118 Å²	118	61.8 Å²	61.8	52%	0.518	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-29.5	-175.9	78	-97.1	0	0	0	114	Q107 E112 A113	Q107-F109 VanDerWaalsContact C-N 3.27Å; Q107-F109 HydrophobicContact CB-CD1 3.87Å; Q107-F109 HydrophobicContact CB-CE1 3.91Å; Q107-F109 HydrophobicContact CG-CE1 4.22Å; Q107-F109 PolarHBondContact O-N 3.44Å; F109-E112 WeakPolarHBondContact CA-OE2 3.4Å; F109-E112 PolarHBondContact N-OE2 2.84Å; F109-A113 VanDerWaalsContact O-CB 3.28Å; F109-A113 WeakPolarHBondContact O-CB 3.43Å; F109-A113 PolarHBondContact O-N 3.42Å
110	H	93.5	Very high	92.4	Very high	67 Å²	67	69.2 Å²	69.2	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-70.3	-36.2	175.2	-71.1	-98.8	0	0	0	111.8	F106 Q107 N108 M155	F106-H110 HydrophobicContact CB-CB 4.27Å; F106-H110 HydrophobicContact CD1-CB 3.65Å; F106-H110 HydrophobicContact CD2-CB 4.49Å; F106-H110 AromaticContact CD2-ND1 3.99Å; F106-H110 HydrophobicContact CE1-CB 4.03Å; F106-H110 AromaticContact CE2-ND1 3.9Å; F106-H110 HydrophobicContact CG-CB 3.9Å; Q107-H110 PolarHBondContact N-CD2 3.43Å; Q107-H110 WeakPolarHBondContact O-CB 3.4Å; Q107-H110 PolarHBondContact O-N 3.35Å; N108-H110 VanDerWaalsContact C-N 3.26Å; N108-H110 PolarHBondContact O-N 2.91Å; H110-M155 WeakPolarHBondContact O-CE 3.49Å
111	L	93.8	Very high	92	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-77.7	-35.9	177.5	-57.3	-179.3	0	0	0	111.3	L99 F102 F106 Q107 N108 L115 L125 W127 C133 M155	L99-L111 HydrophobicContact CD1-CB 4.27Å; L99-L111 HydrophobicContact CD1-CD1 4.44Å; L99-L111 HydrophobicContact CD1-CD2 4.14Å; F102-L111 HydrophobicContact CD1-CD2 4.08Å; F102-L111 HydrophobicContact CE1-CD2 3.98Å; F102-L111 HydrophobicContact CG-CD2 4.45Å; F102-L111 HydrophobicContact CZ-CD2 4.27Å; F106-L111 HydrophobicContact CD1-CD2 4.27Å; Q107-L111 PolarHBondContact O-N 2.81Å; N108-L111 WeakPolarHBondContact O-CB 3.21Å; N108-L111 PolarHBondContact O-N 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.31Å; L111-L125 HydrophobicContact CB-CD1 3.52Å; L111-L125 HydrophobicContact CD1-CD1 4.1Å; L111-L125 HydrophobicContact CG-CD1 4.46Å; L111-W127 HydrophobicContact CD1-CH2 3.89Å; L111-W127 HydrophobicContact CD1-CZ2 3.57Å; L111-W127 HydrophobicContact CG-CZ2 4.41Å; L111-C133 HydrophobicContact CD1-CB 3.64Å; L111-M155 HydrophobicContact CD2-CE 3.89Å; L111-M155 HydrophobicContact CD2-SD 3.73Å
112	E	93.5	Very high	91.9	Very high	70 Å²	70	62.8 Å²	62.8	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-38.5	175.6	-72.9	150.3	-169.6	0	0	111.2	N108 F109 E114 L115 T116 F123 L125	N108-E112 WeakPolarHBondContact CB-OE1 3.5Å; N108-E112 PolarHBondContact ND2-OE1 3.5Å; N108-E112 WeakPolarHBondContact O-CB 3.36Å; N108-E112 WeakPolarHBondContact O-CG 3.28Å; N108-E112 PolarHBondContact O-N 3.09Å; F109-E112 WeakPolarHBondContact CA-OE2 3.4Å; F109-E112 PolarHBondContact N-OE2 2.84Å; E112-E114 PolarHBondContact O-N 3Å; E112-L115 CarbonylContact O-C 3.57Å; E112-L115 VanDerWaalsContact O-C 3.3Å; E112-L115 WeakPolarHBondContact O-CA 3.34Å; E112-L115 PolarHBondContact O-N 3.42Å; E112-T116 PolarHBondContact O-N 3.1Å; E112-T116 PolarHBondContact O-OG1 3.43Å; E112-F123 HydrophobicContact CG-CE2 4.1Å; E112-F123 HydrophobicContact CG-CZ 4.3Å; E112-L125 HydrophobicContact CG-CD1 3.84Å
113	A	92.5	Very high	91.9	Very high	66 Å²	66	63.9 Å²	63.9	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-36.3	178.8	0	0	0	0	0	114.9	F109 L115 T116	F109-A113 VanDerWaalsContact O-CB 3.28Å; F109-A113 WeakPolarHBondContact O-CB 3.43Å; F109-A113 PolarHBondContact O-N 3.42Å; A113-L115 PolarHBondContact O-N 3.34Å; A113-T116 PolarHBondContact O-OG1 3.32Å
114	E	91.7	Very high	91.9	Very high	31 Å²	31	64.1 Å²	64.1	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-71.9	-23	172.2	-170.9	87	-154.1	0	0	111.1	E112 I150 S151 M155	E112-E114 PolarHBondContact O-N 3Å; E114-I150 HydrophobicContact CG-CB 4.41Å; E114-I150 HydrophobicContact CG-CG1 3.99Å; E114-I150 HydrophobicContact CG-CG2 4.13Å; E114-S151 PolarHBondContact OE1-N 2.83Å; E114-S151 PolarHBondContact OE1-OG 2.95Å; E114-M155 HydrophobicContact CB-CE 3.48Å; E114-M155 VanDerWaalsContact CB-CE 3.48Å; E114-M155 HydrophobicContact CB-SD 4.01Å; E114-M155 HydrophobicContact CG-CE 3.93Å; E114-M155 HydrophobicContact CG-CG 4.3Å; E114-M155 HydrophobicContact CG-SD 4.07Å
115	L	92.9	Very high	92	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	5.6	-177.7	-68.2	178.4	0	0	0	114.6	L99 L111 E112 A113 G117 F118 F123 L125 A135 F137 A146 I150	L99-L115 HydrophobicContact CD1-CD1 4.21Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.31Å; E112-L115 CarbonylContact O-C 3.57Å; E112-L115 VanDerWaalsContact O-C 3.3Å; E112-L115 WeakPolarHBondContact O-CA 3.34Å; E112-L115 PolarHBondContact O-N 3.42Å; A113-L115 PolarHBondContact O-N 3.34Å; L115-G117 PolarHBondContact O-N 3.38Å; L115-F118 HydrophobicContact CD2-CD2 4.06Å; L115-F118 WeakPolarHBondContact O-CB 3.41Å; L115-F118 PolarHBondContact O-N 3.48Å; L115-F123 HydrophobicContact CB-CD1 4.39Å; L115-F123 HydrophobicContact CB-CE1 3.74Å; L115-F123 HydrophobicContact CB-CE2 3.91Å; L115-F123 HydrophobicContact CB-CZ 3.47Å; L115-F123 VanDerWaalsContact CB-CZ 3.47Å; L115-F123 HydrophobicContact CD1-CD2 3.84Å; L115-F123 HydrophobicContact CD1-CE2 3.7Å; L115-F123 HydrophobicContact CD1-CG 4.41Å; L115-F123 HydrophobicContact CD1-CZ 4.17Å; L115-F123 HydrophobicContact CG-CE2 4.49Å; L115-F123 HydrophobicContact CG-CZ 4.49Å; L115-F123 WeakPolarHBondContact O-CE1 3.45Å; L115-L125 HydrophobicContact CD1-CD2 3.99Å; L115-A135 HydrophobicContact CD1-CB 4.31Å; L115-F137 HydrophobicContact CD1-CZ 4.48Å; L115-F137 HydrophobicContact CD2-CE1 4.26Å; L115-F137 HydrophobicContact CD2-CZ 3.95Å; L115-A146 HydrophobicContact CD2-CB 4.37Å; L115-I150 HydrophobicContact CD2-CD1 3.99Å; L115-I150 HydrophobicContact CD2-CG1 4.38Å
116	T	91.4	Very high	92.1	Very high	77 Å²	77	55.4 Å²	55.4	47%	0.472	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31	-177.5	-67.3	0	0	0	0	113.5	E112 A113 F118 E119	E112-T116 PolarHBondContact O-N 3.1Å; E112-T116 PolarHBondContact O-OG1 3.43Å; A113-T116 PolarHBondContact O-OG1 3.32Å; T116-F118 PolarHBondContact O-N 3.23Å; T116-E119 WeakPolarHBondContact O-CG 3.36Å; T116-E119 PolarHBondContact O-N 3.39Å; T116-E119 PolarHBondContact OG1-OE1 2.61Å
117	G	90.7	Very high	92.2	Very high	52 Å²	52	56.9 Å²	56.9	54%	0.536	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-63.5	-7.5	174.1	0	0	0	0	0	116	L115	L115-G117 PolarHBondContact O-N 3.38Å
118	F	92.5	Very high	92.3	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-114	6.7	-177.1	-59.3	-79.6	0	0	0	113.6	L115 T116 D120 S121 G122 F123 F137 R145 A146 Q149	L115-F118 HydrophobicContact CD2-CD2 4.06Å; L115-F118 WeakPolarHBondContact O-CB 3.41Å; L115-F118 PolarHBondContact O-N 3.48Å; T116-F118 PolarHBondContact O-N 3.23Å; F118-D120 VanDerWaalsContact C-N 3.29Å; F118-D120 PolarHBondContact O-N 3.45Å; F118-S121 PolarHBondContact O-N 3.48Å; F118-S121 PolarHBondContact O-OG 2.87Å; F118-G122 WeakPolarHBondContact O-CA 3.35Å; F118-G122 PolarHBondContact O-N 3.2Å; F118-F123 HydrophobicContact CB-CD1 3.84Å; F118-F123 HydrophobicContact CB-CE1 4.23Å; F118-F137 HydrophobicContact CB-CE1 4.22Å; F118-F137 HydrophobicContact CD1-CE1 4.39Å; F118-F137 HydrophobicContact CD2-CE1 4.47Å; F118-F137 HydrophobicContact CG-CE1 4.07Å; F118-R145 HydrophobicContact CE1-CB 3.81Å; F118-R145 HydrophobicContact CZ-CB 4.18Å; F118-A146 HydrophobicContact CD1-CB 4.42Å; F118-A146 HydrophobicContact CD2-CB 4.19Å; F118-A146 HydrophobicContact CE1-CB 4.03Å; F118-A146 HydrophobicContact CE2-CB 3.79Å; F118-A146 HydrophobicContact CZ-CB 3.73Å; F118-A146 VanDerWaalsContact CZ-N 3.33Å; F118-Q149 HydrophobicContact CE2-CB 4.29Å; F118-Q149 HydrophobicContact CE2-CG 4.39Å; F118-Q149 HydrophobicContact CZ-CB 4.17Å; F118-Q149 VanDerWaalsContact CZ-OE1 3.29Å
119	E	89.5	Confident	92.3	Very high	102 Å²	102	52.8 Å²	52.8	48%	0.477	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.8	-177.4	-72.1	-179.4	-155.2	0	0	114	T116 G122 F123 K184	T116-E119 WeakPolarHBondContact O-CG 3.36Å; T116-E119 PolarHBondContact O-N 3.39Å; T116-E119 PolarHBondContact OG1-OE1 2.61Å; E119-G122 PolarHBondContact O-N 3.38Å; E119-F123 HydrophobicContact CG-CE1 4.16Å; E119-K184 PolarHBondContact O-NZ 2.98Å
120	D	87.2	Confident	92.3	Very high	156 Å²	156	49.6 Å²	49.6	83%	0.834	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-50.7	175.7	-78	-38.8	0	0	0	111.9	F118 G122	F118-D120 VanDerWaalsContact C-N 3.29Å; F118-D120 PolarHBondContact O-N 3.45Å; D120-G122 PolarHBondContact O-N 3.03Å
121	S	87.5	Confident	92.3	Very high	29 Å²	29	48.3 Å²	48.3	20%	0.203	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.2	173.2	65.5	0	0	0	0	112.4	F118 S138 E142	F118-S121 PolarHBondContact O-N 3.48Å; F118-S121 PolarHBondContact O-OG 2.87Å; S121-S138 WeakPolarHBondContact O-CB 3.31Å; S121-S138 PolarHBondContact O-OG 3.39Å; S121-E142 PolarHBondContact OG-OE2 3.4Å
122	G	89.7	Confident	92.4	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	28%	0.276	C	S	.	.			trans	73.2	143.9	-177.7	0	0	0	0	0	114.5	F118 E119 D120 Y182	F118-G122 WeakPolarHBondContact O-CA 3.35Å; F118-G122 PolarHBondContact O-N 3.2Å; E119-G122 PolarHBondContact O-N 3.38Å; D120-G122 PolarHBondContact O-N 3.03Å; G122-Y182 VanDerWaalsContact C-CD1 3.42Å; G122-Y182 VanDerWaalsContact CA-CE1 3.43Å; G122-Y182 WeakPolarHBondContact O-CD1 3.43Å
123	F	94.2	Very high	92.5	Very high	29 Å²	29	46.9 Å²	46.9	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.6	174.6	61.2	-87.2	0	0	0	110.2	E112 L115 F118 E119 L125 V136 F137 Y182	E112-F123 HydrophobicContact CG-CE2 4.1Å; E112-F123 HydrophobicContact CG-CZ 4.3Å; L115-F123 HydrophobicContact CB-CD1 4.39Å; L115-F123 HydrophobicContact CB-CE1 3.74Å; L115-F123 HydrophobicContact CB-CE2 3.91Å; L115-F123 HydrophobicContact CB-CZ 3.47Å; L115-F123 VanDerWaalsContact CB-CZ 3.47Å; L115-F123 HydrophobicContact CD1-CD2 3.84Å; L115-F123 HydrophobicContact CD1-CE2 3.7Å; L115-F123 HydrophobicContact CD1-CG 4.41Å; L115-F123 HydrophobicContact CD1-CZ 4.17Å; L115-F123 HydrophobicContact CG-CE2 4.49Å; L115-F123 HydrophobicContact CG-CZ 4.49Å; L115-F123 WeakPolarHBondContact O-CE1 3.45Å; F118-F123 HydrophobicContact CB-CD1 3.84Å; F118-F123 HydrophobicContact CB-CE1 4.23Å; E119-F123 HydrophobicContact CG-CE1 4.16Å; F123-L125 HydrophobicContact CD2-CD2 4.25Å; F123-L125 HydrophobicContact CD2-CG 4.24Å; F123-L125 HydrophobicContact CE2-CD1 4.44Å; F123-L125 HydrophobicContact CE2-CD2 4.41Å; F123-L125 HydrophobicContact CE2-CG 4.18Å; F123-V136 CarbonylContact C-O 3.59Å; F123-V136 VanDerWaalsContact CA-O 3.23Å; F123-V136 WeakPolarHBondContact CA-O 3.19Å; F123-F137 HydrophobicContact CB-CD1 4.05Å; F123-F137 HydrophobicContact CB-CE1 4.14Å; F123-Y182 VanDerWaalsContact CA-CD2 3.46Å; F123-Y182 WeakPolarHBondContact O-CD2 3.48Å; F123-Y182 WeakPolarHBondContact O-CE2 3.47Å
124	Y	93.6	Very high	92.7	Very high	73 Å²	73	43.7 Å²	43.7	29%	0.286	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.5	164.5	71.8	-111.1	0	0	0	111.6	K126 V136 D177 Y182	Y124-K126 HydrophobicContact CE2-CB 4.38Å; Y124-K126 HydrophobicContact CE2-CD 4.48Å; Y124-V136 HydrophobicContact CD1-CB 4.22Å; Y124-V136 HydrophobicContact CD1-CG1 4.47Å; Y124-V136 HydrophobicContact CD2-CB 4.03Å; Y124-V136 HydrophobicContact CD2-CG2 4.07Å; Y124-V136 HydrophobicContact CE1-CB 3.88Å; Y124-V136 HydrophobicContact CE1-CG1 3.79Å; Y124-V136 HydrophobicContact CE1-CG2 4.42Å; Y124-V136 HydrophobicContact CE2-CB 3.68Å; Y124-V136 HydrophobicContact CE2-CG1 4.3Å; Y124-V136 HydrophobicContact CE2-CG2 3.42Å; Y124-V136 VanDerWaalsContact CE2-CG2 3.42Å; Y124-V136 HydrophobicContact CG-CB 4.27Å; Y124-V136 PolarHBondContact N-O 2.91Å; Y124-V136 PolarHBondContact O-N 3.09Å; Y124-D177 PolarHBondContact OH-O 3.11Å; Y124-Y182 AromaticContact CD1-CD2 3.81Å; Y124-Y182 HydrophobicContact CD1-CD2 3.81Å; Y124-Y182 HydrophobicContact CG-CD2 4.44Å
125	L	94.6	Very high	92.9	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.7	-179.4	-62.8	179.3	0	0	0	110.9	L99 L111 E112 L115 F123 A135	L99-L125 HydrophobicContact CD1-CD2 4.12Å; L111-L125 HydrophobicContact CB-CD1 3.52Å; L111-L125 HydrophobicContact CD1-CD1 4.1Å; L111-L125 HydrophobicContact CG-CD1 4.46Å; E112-L125 HydrophobicContact CG-CD1 3.84Å; L115-L125 HydrophobicContact CD1-CD2 3.99Å; F123-L125 HydrophobicContact CD2-CD2 4.25Å; F123-L125 HydrophobicContact CD2-CG 4.24Å; F123-L125 HydrophobicContact CE2-CD1 4.44Å; F123-L125 HydrophobicContact CE2-CD2 4.41Å; F123-L125 HydrophobicContact CE2-CG 4.18Å; L125-A135 HydrophobicContact CD2-CB 3.76Å
126	K	94.4	Very high	93	Very high	59 Å²	59	42.2 Å²	42.2	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	91.3	178.4	-169.6	163.7	164.2	-166.2	0	109.3	Y124 L134 D177 W178	Y124-K126 HydrophobicContact CE2-CB 4.38Å; Y124-K126 HydrophobicContact CE2-CD 4.48Å; K126-L134 PolarHBondContact N-O 2.97Å; K126-L134 PolarHBondContact O-N 3.48Å; K126-L134 VanDerWaalsContact O-N 3.16Å; K126-D177 IonicContact NZ-OD2 2.69Å; K126-D177 PolarHBondContact NZ-OD2 3.05Å; K126-W178 HydrophobicContact CB-CH2 3.7Å; K126-W178 HydrophobicContact CB-CZ3 3.9Å; K126-W178 HydrophobicContact CD-CE3 4.4Å; K126-W178 HydrophobicContact CD-CH2 3.28Å; K126-W178 HydrophobicContact CD-CZ2 3.62Å; K126-W178 HydrophobicContact CD-CZ3 3.7Å; K126-W178 HydrophobicContact CG-CH2 3.46Å; K126-W178 VanDerWaalsContact CG-CH2 3.46Å; K126-W178 HydrophobicContact CG-CZ2 4.09Å; K126-W178 HydrophobicContact CG-CZ3 4.07Å
127	W	95.4	Very high	93.2	Very high	53 Å²	53	38.6 Å²	38.6	20%	0.201	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-43.2	135.6	177.2	-74.5	92.4	0	0	0	113.2	F102 F106 N108 L111 C133 K170	F102-W127 AromaticContact CE2-CH2 3.69Å; F102-W127 HydrophobicContact CE2-CH2 3.69Å; F102-W127 AromaticContact CE2-CZ3 3.55Å; F102-W127 HydrophobicContact CE2-CZ3 3.55Å; F102-W127 HydrophobicContact CZ-CE3 4.49Å; F102-W127 AromaticContact CZ-CH2 3.91Å; F102-W127 HydrophobicContact CZ-CH2 3.91Å; F102-W127 AromaticContact CZ-CZ3 3.6Å; F102-W127 HydrophobicContact CZ-CZ3 3.6Å; F106-W127 WeakPolarHBondContact O-CH2 3.49Å; N108-W127 PolarHBondContact OD1-NE1 3.18Å; L111-W127 HydrophobicContact CD1-CH2 3.89Å; L111-W127 HydrophobicContact CD1-CZ2 3.57Å; L111-W127 HydrophobicContact CG-CZ2 4.41Å; W127-C133 HydrophobicContact CD2-CB 4.39Å; W127-C133 HydrophobicContact CE3-CB 4.31Å; W127-K170 WeakPolarHBondContact O-CE 3.2Å; W127-K170 PolarHBondContact O-NZ 2.61Å
128	V	94	Very high	93.4	Very high	18 Å²	18	38 Å²	38	11%	0.109	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-65.3	174	-177.2	0	0	0	0	108.9	H132 L134 A166 S167 K170	V128-H132 WeakPolarHBondContact CA-O 3.31Å; V128-H132 HydrophobicContact CB-CB 3.89Å; V128-H132 WeakPolarHBondContact CB-O 3.32Å; V128-H132 HydrophobicContact CG1-CB 4.42Å; V128-H132 PolarHBondContact N-O 2.93Å; V128-L134 HydrophobicContact CG2-CB 4.45Å; V128-L134 HydrophobicContact CG2-CD1 3.57Å; V128-L134 HydrophobicContact CG2-CG 3.63Å; V128-A166 HydrophobicContact CG1-CB 3.86Å; V128-S167 WeakPolarHBondContact CG2-OG 3.26Å; V128-K170 HydrophobicContact CB-CD 4.27Å; V128-K170 HydrophobicContact CG1-CD 4.27Å; V128-K170 HydrophobicContact CG2-CD 3.86Å; V128-K170 PolarHBondContact O-NZ 2.87Å
129	D	92.4	Very high	93.4	Very high	76 Å²	76	39.6 Å²	39.6	41%	0.406	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	175.8	176.8	-53.2	-53.9	0	0	0	109.4	T131 H132 A166	D129-T131 PolarHBondContact O-N 3.09Å; D129-H132 HydrophobicContact CB-CB 4.44Å; D129-H132 PolarHBondContact N-O 3.2Å; D129-H132 PolarHBondContact O-N 3.13Å; D129-H132 VanDerWaalsContact O-N 3.07Å; D129-H132 IonicContact OD2-ND1 3.42Å; D129-H132 PolarHBondContact OD2-ND1 3.17Å; D129-A166 WeakPolarHBondContact OD2-CB 3.39Å
130	D	93	Very high	93.7	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.8	-177.6	-61.9	-40.2	0	0	0	115.4	F102 K104	F102-D130 WeakPolarHBondContact CE2-O 3.32Å; K104-D130 HydrophobicContact CB-CB 4.42Å; K104-D130 HydrophobicContact CG-CB 4.09Å
131	T	94.2	Very high	94	Very high	41 Å²	41	34.5 Å²	34.5	25%	0.252	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	9.2	179.3	62.6	0	0	0	0	113.9	F102 K104 D129	F102-T131 VanDerWaalsContact CZ-C 3.4Å; K104-T131 HydrophobicContact CD-CG2 4.5Å; K104-T131 HydrophobicContact CG-CG2 3.57Å; D129-T131 PolarHBondContact O-N 3.09Å
132	H	95.2	Very high	94.4	Very high	39 Å²	39	34.5 Å²	34.5	18%	0.181	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.9	-175.7	-64.2	123.4	0	0	0	110.6	E98 L99 V128 D129	E98-H132 IonicContact OE1-CD2 3.58Å; E98-H132 IonicContact OE1-CG 3.85Å; L99-H132 WeakPolarHBondContact O-CA 3.13Å; V128-H132 WeakPolarHBondContact CA-O 3.31Å; V128-H132 HydrophobicContact CB-CB 3.89Å; V128-H132 WeakPolarHBondContact CB-O 3.32Å; V128-H132 HydrophobicContact CG1-CB 4.42Å; V128-H132 PolarHBondContact N-O 2.93Å; D129-H132 HydrophobicContact CB-CB 4.44Å; D129-H132 PolarHBondContact N-O 3.2Å; D129-H132 PolarHBondContact O-N 3.13Å; D129-H132 VanDerWaalsContact O-N 3.07Å; D129-H132 IonicContact OD2-ND1 3.42Å; D129-H132 PolarHBondContact OD2-ND1 3.17Å
133	C	95.9	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.8	177.5	-168.1	0	0	0	0	110.9	L99 F102 L111 W127	L99-C133 HydrophobicContact CB-CB 4.46Å; L99-C133 PolarHBondContact N-O 2.69Å; L99-C133 PolarHBondContact O-N 2.92Å; F102-C133 HydrophobicContact CE1-CB 4.38Å; F102-C133 HydrophobicContact CZ-CB 4.21Å; L111-C133 HydrophobicContact CD1-CB 3.64Å; W127-C133 HydrophobicContact CD2-CB 4.39Å; W127-C133 HydrophobicContact CE3-CB 4.31Å
134	L	96.5	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.3	175.3	-71.5	162.5	0	0	0	109.5	I96 L97 E98 K126 V128 I160 I171 W178	I96-L134 HydrophobicContact CG2-CB 4.26Å; I96-L134 HydrophobicContact CG2-CD2 3.78Å; L97-L134 WeakPolarHBondContact O-CA 3.43Å; E98-L134 HydrophobicContact CB-CD2 4.14Å; K126-L134 PolarHBondContact N-O 2.97Å; K126-L134 PolarHBondContact O-N 3.48Å; K126-L134 VanDerWaalsContact O-N 3.16Å; V128-L134 HydrophobicContact CG2-CB 4.45Å; V128-L134 HydrophobicContact CG2-CD1 3.57Å; V128-L134 HydrophobicContact CG2-CG 3.63Å; L134-I160 HydrophobicContact CD2-CD1 4.34Å; L134-I171 HydrophobicContact CD1-CG1 4.2Å; L134-W178 HydrophobicContact CB-CH2 3.96Å; L134-W178 HydrophobicContact CB-CZ3 3.75Å; L134-W178 HydrophobicContact CD1-CH2 3.37Å; L134-W178 HydrophobicContact CD1-CZ2 4.01Å; L134-W178 HydrophobicContact CD1-CZ3 3.75Å; L134-W178 HydrophobicContact CG-CH2 4.3Å; L134-W178 HydrophobicContact CG-CZ3 4.37Å
135	A	96	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.3	173.3	0	0	0	0	0	109.2	I96 L97 L99 L115 L125 F137	I96-A135 WeakPolarHBondContact CA-O 3.33Å; L97-A135 PolarHBondContact N-O 3.43Å; L97-A135 PolarHBondContact O-N 3.05Å; L99-A135 HydrophobicContact CD1-CB 4.18Å; L99-A135 HydrophobicContact CG-CB 4.17Å; L115-A135 HydrophobicContact CD1-CB 4.31Å; L125-A135 HydrophobicContact CD2-CB 3.76Å; A135-F137 HydrophobicContact CB-CE2 3.71Å; A135-F137 HydrophobicContact CB-CZ 4.03Å
136	V	95.8	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.1	-177.4	-176.2	0	0	0	0	109	I96 F123 Y124 W178	I96-V136 HydrophobicContact CD1-CG2 4.19Å; I96-V136 HydrophobicContact CG1-CG1 4.27Å; I96-V136 HydrophobicContact CG1-CG2 4.11Å; I96-V136 HydrophobicContact CG2-CG2 4.22Å; F123-V136 CarbonylContact C-O 3.59Å; F123-V136 VanDerWaalsContact CA-O 3.23Å; F123-V136 WeakPolarHBondContact CA-O 3.19Å; Y124-V136 HydrophobicContact CD1-CB 4.22Å; Y124-V136 HydrophobicContact CD1-CG1 4.47Å; Y124-V136 HydrophobicContact CD2-CB 4.03Å; Y124-V136 HydrophobicContact CD2-CG2 4.07Å; Y124-V136 HydrophobicContact CE1-CB 3.88Å; Y124-V136 HydrophobicContact CE1-CG1 3.79Å; Y124-V136 HydrophobicContact CE1-CG2 4.42Å; Y124-V136 HydrophobicContact CE2-CB 3.68Å; Y124-V136 HydrophobicContact CE2-CG1 4.3Å; Y124-V136 HydrophobicContact CE2-CG2 3.42Å; Y124-V136 VanDerWaalsContact CE2-CG2 3.42Å; Y124-V136 HydrophobicContact CG-CB 4.27Å; Y124-V136 PolarHBondContact N-O 2.91Å; Y124-V136 PolarHBondContact O-N 3.09Å; V136-W178 HydrophobicContact CG2-CE3 3.98Å; V136-W178 HydrophobicContact CG2-CZ3 4.01Å
137	F	96	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	169.8	-177.7	-62.5	-90.6	0	0	0	111.5	H95 L97 L115 F118 F123 A135 E142 A143 A146 P181 Y182	H95-F137 PolarHBondContact O-N 3.42Å; L97-F137 HydrophobicContact CB-CE2 4.22Å; L97-F137 HydrophobicContact CD1-CE2 3.78Å; L97-F137 HydrophobicContact CD1-CZ 4.26Å; L97-F137 HydrophobicContact CG-CD2 4.38Å; L97-F137 HydrophobicContact CG-CE2 3.84Å; L115-F137 HydrophobicContact CD1-CZ 4.48Å; L115-F137 HydrophobicContact CD2-CE1 4.26Å; L115-F137 HydrophobicContact CD2-CZ 3.95Å; F118-F137 HydrophobicContact CB-CE1 4.22Å; F118-F137 HydrophobicContact CD1-CE1 4.39Å; F118-F137 HydrophobicContact CD2-CE1 4.47Å; F118-F137 HydrophobicContact CG-CE1 4.07Å; F123-F137 HydrophobicContact CB-CD1 4.05Å; F123-F137 HydrophobicContact CB-CE1 4.14Å; A135-F137 HydrophobicContact CB-CE2 3.71Å; A135-F137 HydrophobicContact CB-CZ 4.03Å; F137-E142 HydrophobicContact CB-CB 3.96Å; F137-E142 HydrophobicContact CD1-CB 4.29Å; F137-E142 HydrophobicContact CG-CB 4.44Å; F137-A143 HydrophobicContact CB-CB 4.3Å; F137-A143 HydrophobicContact CD2-CB 3.82Å; F137-A143 HydrophobicContact CG-CB 4.2Å; F137-A146 HydrophobicContact CD1-CB 4.4Å; F137-A146 HydrophobicContact CE1-CB 3.55Å; F137-A146 HydrophobicContact CE2-CB 4.13Å; F137-A146 HydrophobicContact CZ-CB 3.39Å; F137-P181 WeakPolarHBondContact O-CB 3.36Å; F137-Y182 PolarHBondContact O-N 2.98Å
138	S	93.5	Very high	94.7	Very high	40 Å²	40	38.6 Å²	38.6	28%	0.28	22%	0.215	S	C	.	.	S	Bend	trans	-79.9	-17.4	180	47	0	0	0	0	113.9	S121 P181 Y182	S121-S138 WeakPolarHBondContact O-CB 3.31Å; S121-S138 PolarHBondContact O-OG 3.39Å; S138-P181 WeakPolarHBondContact O-CB 3.24Å; S138-Y182 WeakPolarHBondContact CA-O 3.49Å; S138-Y182 VanDerWaalsContact CB-O 3.28Å; S138-Y182 WeakPolarHBondContact CB-O 3.36Å
139	S	93.3	Very high	94.6	Very high	37 Å²	37	42.5 Å²	42.5	26%	0.259	23%	0.232	S	C	.	.	S	Bend	trans	-150.3	171.9	172.2	82.2	0	0	0	0	113	D141 E142 A143	S139-D141 VanDerWaalsContact C-N 3.32Å; S139-D141 PolarHBondContact OG-N 3.18Å; S139-D141 VanDerWaalsContact OG-N 3.17Å; S139-E142 PolarHBondContact OG-N 2.81Å; S139-E142 VanDerWaalsContact OG-N 3.09Å; S139-A143 PolarHBondContact O-N 3.03Å
140	N	94.5	Very high	94.5	Very high	49 Å²	49	39.8 Å²	39.8	26%	0.262	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-38.9	169.8	-169	-8.9	0	0	0	110.8	Q94 A143 N144	Q94-N140 HydrophobicContact CB-CB 4.39Å; Q94-N140 PolarHBondContact OE1-ND2 3.08Å; Q94-N140 VanDerWaalsContact OE1-ND2 3.11Å; N140-A143 CarbonylContact O-C 3.53Å; N140-A143 WeakPolarHBondContact O-CB 3.4Å; N140-A143 PolarHBondContact O-N 3.29Å; N140-N144 VanDerWaalsContact O-CG 3.31Å; N140-N144 PolarHBondContact O-N 3.37Å; N140-N144 PolarHBondContact O-ND2 2.81Å; N140-N144 PolarHBondContact OD1-ND2 2.87Å
141	D	94.8	Very high	93.8	Very high	102 Å²	102	41.2 Å²	41.2	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-71.6	-33.7	-176.7	-51.4	-54.2	0	0	0	112.7	S139 N144 R145	S139-D141 VanDerWaalsContact C-N 3.32Å; S139-D141 PolarHBondContact OG-N 3.18Å; S139-D141 VanDerWaalsContact OG-N 3.17Å; D141-N144 PolarHBondContact O-N 2.85Å; D141-R145 PolarHBondContact O-N 3.02Å
142	E	95	Very high	93.4	Very high	28 Å²	28	40.9 Å²	40.9	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-46	168	-66	-59.5	157	0	0	111	S121 F137 S139 N144 R145 A146	S121-E142 PolarHBondContact OG-OE2 3.4Å; F137-E142 HydrophobicContact CB-CB 3.96Å; F137-E142 HydrophobicContact CD1-CB 4.29Å; F137-E142 HydrophobicContact CG-CB 4.44Å; S139-E142 PolarHBondContact OG-N 2.81Å; S139-E142 VanDerWaalsContact OG-N 3.09Å; E142-N144 VanDerWaalsContact C-N 3.32Å; E142-N144 PolarHBondContact O-N 3.22Å; E142-R145 VanDerWaalsContact CD-CZ 3.5Å; E142-R145 PolarHBondContact O-N 3.27Å; E142-R145 IonicContact OE1-CZ 2.61Å; E142-R145 VanDerWaalsContact OE1-CZ 3.32Å; E142-R145 IonicContact OE1-NH1 3.45Å; E142-R145 PolarHBondContact OE1-NH1 2.82Å; E142-R145 IonicContact OE1-NH2 3.44Å; E142-R145 PolarHBondContact OE1-NH2 3.17Å; E142-R145 VanDerWaalsContact OE1-NH2 3.13Å; E142-R145 IonicContact OE2-CZ 2.72Å; E142-R145 VanDerWaalsContact OE2-CZ 3.25Å; E142-R145 IonicContact OE2-NH1 3.09Å; E142-R145 PolarHBondContact OE2-NH1 3.32Å; E142-R145 IonicContact OE2-NH2 2.69Å; E142-R145 PolarHBondContact OE2-NH2 3.39Å; E142-A146 PolarHBondContact O-N 3Å
143	A	95.7	Very high	92.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-36.1	176.4	0	0	0	0	0	112.4	L97 F137 S139 N140 L147	L97-A143 WeakPolarHBondContact CD1-O 3.42Å; L97-A143 HydrophobicContact CD2-CB 4.23Å; L97-A143 HydrophobicContact CG-CB 4.21Å; F137-A143 HydrophobicContact CB-CB 4.3Å; F137-A143 HydrophobicContact CD2-CB 3.82Å; F137-A143 HydrophobicContact CG-CB 4.2Å; S139-A143 PolarHBondContact O-N 3.03Å; N140-A143 CarbonylContact O-C 3.53Å; N140-A143 WeakPolarHBondContact O-CB 3.4Å; N140-A143 PolarHBondContact O-N 3.29Å; A143-L147 WeakPolarHBondContact O-CB 3.41Å; A143-L147 PolarHBondContact O-N 2.88Å
144	N	95.5	Very high	92.6	Very high	53 Å²	53	52 Å²	52	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-38.8	173.9	-70.4	-50.4	0	0	0	112.1	N140 D141 E142 A148 K159	N140-N144 VanDerWaalsContact O-CG 3.31Å; N140-N144 PolarHBondContact O-N 3.37Å; N140-N144 PolarHBondContact O-ND2 2.81Å; N140-N144 PolarHBondContact OD1-ND2 2.87Å; D141-N144 PolarHBondContact O-N 2.85Å; E142-N144 VanDerWaalsContact C-N 3.32Å; E142-N144 PolarHBondContact O-N 3.22Å; N144-A148 PolarHBondContact O-N 2.9Å; N144-K159 WeakPolarHBondContact OD1-CE 3.35Å; N144-K159 PolarHBondContact OD1-NZ 2.66Å
145	R	95.1	Very high	92.4	Very high	129 Å²	129	52 Å²	52	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-44.8	173.4	-81.9	-173.1	-90.7	124.3	179.2	111.9	F118 D141 E142 L147 A148 Q149	F118-R145 HydrophobicContact CE1-CB 3.81Å; F118-R145 HydrophobicContact CZ-CB 4.18Å; D141-R145 PolarHBondContact O-N 3.02Å; E142-R145 VanDerWaalsContact CD-CZ 3.5Å; E142-R145 PolarHBondContact O-N 3.27Å; E142-R145 IonicContact OE1-CZ 2.61Å; E142-R145 VanDerWaalsContact OE1-CZ 3.32Å; E142-R145 IonicContact OE1-NH1 3.45Å; E142-R145 PolarHBondContact OE1-NH1 2.82Å; E142-R145 IonicContact OE1-NH2 3.44Å; E142-R145 PolarHBondContact OE1-NH2 3.17Å; E142-R145 VanDerWaalsContact OE1-NH2 3.13Å; E142-R145 IonicContact OE2-CZ 2.72Å; E142-R145 VanDerWaalsContact OE2-CZ 3.25Å; E142-R145 IonicContact OE2-NH1 3.09Å; E142-R145 PolarHBondContact OE2-NH1 3.32Å; E142-R145 IonicContact OE2-NH2 2.69Å; E142-R145 PolarHBondContact OE2-NH2 3.39Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.96Å; R145-A148 PolarHBondContact O-N 3.19Å; R145-A148 VanDerWaalsContact O-N 3.11Å; R145-Q149 WeakPolarHBondContact O-CB 3.46Å; R145-Q149 PolarHBondContact O-N 3.27Å
146	A	94.8	Very high	92.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-42.5	176	0	0	0	0	0	112.3	L97 L115 F118 F137 E142 A148 Q149 I150	L97-A146 HydrophobicContact CD1-CB 3.97Å; L115-A146 HydrophobicContact CD2-CB 4.37Å; F118-A146 HydrophobicContact CD1-CB 4.42Å; F118-A146 HydrophobicContact CD2-CB 4.19Å; F118-A146 HydrophobicContact CE1-CB 4.03Å; F118-A146 HydrophobicContact CE2-CB 3.79Å; F118-A146 HydrophobicContact CZ-CB 3.73Å; F118-A146 VanDerWaalsContact CZ-N 3.33Å; F137-A146 HydrophobicContact CD1-CB 4.4Å; F137-A146 HydrophobicContact CE1-CB 3.55Å; F137-A146 HydrophobicContact CE2-CB 4.13Å; F137-A146 HydrophobicContact CZ-CB 3.39Å; E142-A146 PolarHBondContact O-N 3Å; A146-A148 PolarHBondContact O-N 3.09Å; A146-Q149 PolarHBondContact O-N 3.25Å; A146-I150 WeakPolarHBondContact O-CD1 3.38Å; A146-I150 VanDerWaalsContact O-CG1 3.24Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.74Å; A146-I150 VanDerWaalsContact O-N 3.09Å
147	L	94.3	Very high	92.4	Very high	57 Å²	57	57.1 Å²	57.1	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-61.1	-29.2	175.7	-176	63.2	0	0	0	113.4	L97 A143 R145 A157 K159	L97-L147 HydrophobicContact CD1-CB 4.08Å; L97-L147 HydrophobicContact CD2-CB 4.35Å; A143-L147 WeakPolarHBondContact O-CB 3.41Å; A143-L147 PolarHBondContact O-N 2.88Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.96Å; L147-A157 HydrophobicContact CD1-CB 3.87Å; L147-A157 VanDerWaalsContact CD1-O 3.28Å; L147-A157 WeakPolarHBondContact CD1-O 3.49Å; L147-K159 HydrophobicContact CD2-CD 4.23Å; L147-K159 HydrophobicContact CD2-CG 3.76Å
148	A	92.8	Very high	92.4	Very high	90 Å²	90	60 Å²	60	74%	0.744	33%	0.326	S	S	*	.	H	α-helix	trans	-88.9	-23.4	177.5	0	0	0	0	0	113.9	N144 R145 A146	N144-A148 PolarHBondContact O-N 2.9Å; R145-A148 PolarHBondContact O-N 3.19Å; R145-A148 VanDerWaalsContact O-N 3.11Å; A146-A148 PolarHBondContact O-N 3.09Å
149	Q	91.6	Very high	92.4	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-88.8	-30	-177.9	179.6	170.6	-26.1	0	0	113.6	F118 R145 A146 S151	F118-Q149 HydrophobicContact CE2-CB 4.29Å; F118-Q149 HydrophobicContact CE2-CG 4.39Å; F118-Q149 HydrophobicContact CZ-CB 4.17Å; F118-Q149 VanDerWaalsContact CZ-OE1 3.29Å; R145-Q149 WeakPolarHBondContact O-CB 3.46Å; R145-Q149 PolarHBondContact O-N 3.27Å; A146-Q149 PolarHBondContact O-N 3.25Å; Q149-S151 PolarHBondContact O-N 3.43Å
150	I	91.6	Very high	92.4	Very high	18 Å²	18	60.1 Å²	60.1	9%	0.092	32%	0.317	C	S	.	.			trans	-64.7	121.1	-178	-71.1	163	0	0	0	110	L99 E114 L115 A146 G152 M155 A157	L99-I150 HydrophobicContact CD2-CD1 3.81Å; E114-I150 HydrophobicContact CG-CB 4.41Å; E114-I150 HydrophobicContact CG-CG1 3.99Å; E114-I150 HydrophobicContact CG-CG2 4.13Å; L115-I150 HydrophobicContact CD2-CD1 3.99Å; L115-I150 HydrophobicContact CD2-CG1 4.38Å; A146-I150 WeakPolarHBondContact O-CD1 3.38Å; A146-I150 VanDerWaalsContact O-CG1 3.24Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.74Å; A146-I150 VanDerWaalsContact O-N 3.09Å; I150-G152 PolarHBondContact O-N 3.11Å; I150-G152 VanDerWaalsContact O-N 3.1Å; I150-M155 HydrophobicContact CG2-CG 4.04Å; I150-A157 HydrophobicContact CD1-CB 3.57Å; I150-A157 HydrophobicContact CG2-CB 4.49Å
151	S	78	Confident	92.3	Very high	82 Å²	82	61.4 Å²	61.4	57%	0.573	32%	0.324	S	S	*	.			trans	-73.5	-8.7	-163.4	-56.3	0	0	0	0	114.3	E114 Q149 L153	E114-S151 PolarHBondContact OE1-N 2.83Å; E114-S151 PolarHBondContact OE1-OG 2.95Å; Q149-S151 PolarHBondContact O-N 3.43Å; S151-L153 PolarHBondContact O-N 3.14Å; S151-L153 VanDerWaalsContact O-N 3.15Å
152	G	85	Confident	92.3	Very high	33 Å²	33	61.4 Å²	61.4	34%	0.34	32%	0.324	S	S	.	.	S	Bend	trans	74.2	-4.8	-177.7	0	0	0	0	0	115.3	I150 M155	I150-G152 PolarHBondContact O-N 3.11Å; I150-G152 VanDerWaalsContact O-N 3.1Å; G152-M155 CarbonylContact C-O 3.42Å; G152-M155 WeakPolarHBondContact CA-O 3.5Å
153	L	85.4	Confident	92.2	Very high	141 Å²	141	60.3 Å²	60.3	74%	0.738	32%	0.32	S	S	*	.	S	Bend	trans	-77.1	-56.4	-174.7	-64	176	0	0	0	112.5	S151	S151-L153 PolarHBondContact O-N 3.14Å; S151-L153 VanDerWaalsContact O-N 3.15Å
154	F	88.6	Confident	92.1	Very high	131 Å²	131	61.2 Å²	61.2	58%	0.575	33%	0.326	S	S	*	.	S	Bend	trans	-92.6	-29.6	-178	-61.8	-63.5	0	0	0	113.1	F102 F106	F102-F154 WeakPolarHBondContact CB-O 3.47Å; F106-F154 HydrophobicContact CE1-CB 4.11Å; F106-F154 HydrophobicContact CZ-CB 4.05Å
155	M	93.3	Very high	91.9	Very high	2 Å²	2	61 Å²	61	1%	0.01	32%	0.324	C	S	.	.			trans	-153.1	163.4	177.3	71	-163.8	78.8	0	0	109.9	L99 F102 F106 H110 L111 E114 I150 G152	L99-M155 HydrophobicContact CD1-SD 4.13Å; L99-M155 HydrophobicContact CD2-SD 4.42Å; F102-M155 HydrophobicContact CB-CB 3.91Å; F102-M155 HydrophobicContact CD1-CB 4.05Å; F102-M155 HydrophobicContact CG-CB 4.43Å; F106-M155 HydrophobicContact CE1-CE 4.24Å; H110-M155 WeakPolarHBondContact O-CE 3.49Å; L111-M155 HydrophobicContact CD2-CE 3.89Å; L111-M155 HydrophobicContact CD2-SD 3.73Å; E114-M155 HydrophobicContact CB-CE 3.48Å; E114-M155 VanDerWaalsContact CB-CE 3.48Å; E114-M155 HydrophobicContact CB-SD 4.01Å; E114-M155 HydrophobicContact CG-CE 3.93Å; E114-M155 HydrophobicContact CG-CG 4.3Å; E114-M155 HydrophobicContact CG-SD 4.07Å; I150-M155 HydrophobicContact CG2-CG 4.04Å; G152-M155 CarbonylContact C-O 3.42Å; G152-M155 WeakPolarHBondContact CA-O 3.5Å
156	K	95	Very high	91.8	Very high	89 Å²	89	56.6 Å²	56.6	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.7	170.7	-66.1	178.5	-179.6	176.8	0	109.5	L99 Y100 N101	L99-K156 CarbonylContact C-O 3.3Å; L99-K156 WeakPolarHBondContact CA-O 3.48Å; Y100-K156 HydrophobicContact CD1-CB 3.98Å; Y100-K156 WeakPolarHBondContact CD1-O 3.37Å; Y100-K156 HydrophobicContact CE1-CB 3.48Å; Y100-K156 VanDerWaalsContact CE1-CB 3.48Å; Y100-K156 HydrophobicContact CE2-CB 4.23Å; Y100-K156 PolarHBondContact N-O 3.35Å; Y100-K156 PolarHBondContact O-N 2.96Å; N101-K156 HydrophobicContact CB-CB 4.42Å; N101-K156 HydrophobicContact CB-CD 4.3Å; N101-K156 HydrophobicContact CB-CG 4.44Å
157	A	95.8	Very high	91.8	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.3	174.4	0	0	0	0	0	111.1	L97 E98 L99 L147 I150	L97-A157 HydrophobicContact CD1-CB 4.16Å; E98-A157 CarbonylContact O-C 3.43Å; E98-A157 WeakPolarHBondContact O-CA 3.34Å; L99-A157 HydrophobicContact CD2-CB 3.92Å; L147-A157 HydrophobicContact CD1-CB 3.87Å; L147-A157 VanDerWaalsContact CD1-O 3.28Å; L147-A157 WeakPolarHBondContact CD1-O 3.49Å; I150-A157 HydrophobicContact CD1-CB 3.57Å; I150-A157 HydrophobicContact CG2-CB 4.49Å
158	R	95.6	Very high	91.8	Very high	61 Å²	61	54.6 Å²	54.6	23%	0.23	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.5	171.9	60.8	-174.7	173.5	176.7	-13	111.7	L97 E98 Y100 D162	L97-R158 WeakPolarHBondContact CA-O 3.09Å; E98-R158 HydrophobicContact CB-CG 4.25Å; E98-R158 PolarHBondContact N-O 3.44Å; E98-R158 PolarHBondContact O-N 3.26Å; E98-R158 IonicContact OE2-CZ 3.1Å; E98-R158 IonicContact OE2-NE 2.74Å; E98-R158 PolarHBondContact OE2-NE 2.97Å; E98-R158 IonicContact OE2-NH2 2.66Å; E98-R158 PolarHBondContact OE2-NH2 2.79Å; Y100-R158 HydrophobicContact CD1-CG 3.9Å; Y100-R158 HydrophobicContact CE1-CB 3.97Å; Y100-R158 HydrophobicContact CE1-CG 3.73Å; R158-D162 VanDerWaalsContact CD-O 3.28Å; R158-D162 WeakPolarHBondContact CD-O 3.37Å; R158-D162 PolarHBondContact NE-O 3.21Å; R158-D162 PolarHBondContact NH1-O 2.69Å
159	K	95.4	Very high	91.7	Very high	76 Å²	76	52.6 Å²	52.6	33%	0.33	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	157.2	177.6	-62.9	-170.9	174.3	-170.8	0	110.8	L97 N144 L147 N161 D162 A163	L97-K159 HydrophobicContact CD2-CG 4.28Å; N144-K159 WeakPolarHBondContact OD1-CE 3.35Å; N144-K159 PolarHBondContact OD1-NZ 2.66Å; L147-K159 HydrophobicContact CD2-CD 4.23Å; L147-K159 HydrophobicContact CD2-CG 3.76Å; K159-N161 PolarHBondContact O-N 2.88Å; K159-N161 VanDerWaalsContact O-N 3.09Å; K159-D162 PolarHBondContact O-N 3.28Å; K159-A163 PolarHBondContact O-N 2.93Å
160	I	93.4	Very high	91.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.8	-25.7	-179.3	-167.5	57.3	0	0	0	114.3	F93 L134 D162 A163 K168 I171	F93-I160 HydrophobicContact CB-CG1 4.36Å; F93-I160 HydrophobicContact CB-CG2 4.05Å; F93-I160 WeakPolarHBondContact O-CG2 3.35Å; L134-I160 HydrophobicContact CD2-CD1 4.34Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 2.88Å; I160-A163 HydrophobicContact CD1-CB 3.98Å; I160-A163 WeakPolarHBondContact O-CB 3.42Å; I160-A163 PolarHBondContact O-N 2.69Å; I160-K168 WeakPolarHBondContact O-CE 3.34Å; I160-I171 HydrophobicContact CD1-CD1 3.49Å; I160-I171 VanDerWaalsContact CD1-CD1 3.49Å; I160-I171 HydrophobicContact CD1-CG1 4.39Å; I160-I171 HydrophobicContact CG1-CD1 3.93Å
161	N	92.1	Very high	91.9	Very high	77 Å²	77	50 Å²	50	41%	0.412	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.7	-43.6	174.4	-62.6	13.1	0	0	0	111.8	L90 K159 K168	L90-N161 HydrophobicContact CD2-CB 4.1Å; K159-N161 PolarHBondContact O-N 2.88Å; K159-N161 VanDerWaalsContact O-N 3.09Å; N161-K168 WeakPolarHBondContact O-CE 3.14Å; N161-K168 PolarHBondContact O-NZ 3.35Å
162	D	93.2	Very high	92.5	Very high	102 Å²	102	46.2 Å²	46.2	55%	0.545	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-99.5	1.5	-171.4	-40.8	-61	0	0	0	112	R158 K159 I160	R158-D162 VanDerWaalsContact CD-O 3.28Å; R158-D162 WeakPolarHBondContact CD-O 3.37Å; R158-D162 PolarHBondContact NE-O 3.21Å; R158-D162 PolarHBondContact NH1-O 2.69Å; K159-D162 PolarHBondContact O-N 3.28Å; I160-D162 VanDerWaalsContact C-N 3.3Å; I160-D162 PolarHBondContact O-N 2.88Å
163	A	93	Very high	92.8	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.041	26%	0.258	C	S	.	.	S	Bend	trans	-68.9	161.8	-175.6	0	0	0	0	0	113.5	E98 K159 I160 K168	E98-A163 HydrophobicContact CB-CB 3.93Å; E98-A163 WeakPolarHBondContact OE2-CA 3.46Å; K159-A163 PolarHBondContact O-N 2.93Å; I160-A163 HydrophobicContact CD1-CB 3.98Å; I160-A163 WeakPolarHBondContact O-CB 3.42Å; I160-A163 PolarHBondContact O-N 2.69Å; A163-K168 VanDerWaalsContact O-CE 3.26Å; A163-K168 WeakPolarHBondContact O-CE 3.41Å
164	S	93.6	Very high	93	Very high	18 Å²	18	48.5 Å²	48.5	13%	0.126	24%	0.236	C	C	.	.			trans	-59.7	152.2	179.1	72.6	0	0	0	0	113	E98 A166 S167 K168	E98-S164 VanDerWaalsContact OE1-CB 3.27Å; E98-S164 WeakPolarHBondContact OE1-CB 3.43Å; E98-S164 PolarHBondContact OE1-N 3.46Å; E98-S164 PolarHBondContact OE1-OG 2.98Å; E98-S164 PolarHBondContact OE2-N 2.83Å; S164-A166 PolarHBondContact O-N 3.39Å; S164-S167 WeakPolarHBondContact O-CB 3.18Å; S164-S167 PolarHBondContact O-N 3.4Å; S164-S167 WeakPolarHBondContact OG-CB 3.49Å; S164-S167 PolarHBondContact OG-N 3.21Å; S164-S167 PolarHBondContact OG-OG 2.69Å; S164-K168 PolarHBondContact O-N 2.86Å
165	L	92.7	Very high	92.9	Very high	48 Å²	48	43.5 Å²	43.5	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-56.4	-34.9	171.9	-178.9	60.1	0	0	0	111.6	E85 K168 L169	E85-L165 HydrophobicContact CG-CD1 4.37Å; L165-K168 PolarHBondContact O-N 3.19Å; L165-L169 HydrophobicContact CD1-CD1 4.11Å; L165-L169 HydrophobicContact CD1-CG 4.04Å; L165-L169 HydrophobicContact CG-CD1 3.87Å; L165-L169 HydrophobicContact CG-CG 4.28Å; L165-L169 VanDerWaalsContact O-CB 3.26Å; L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.32Å; L165-L169 PolarHBondContact O-N 2.81Å
166	A	93.4	Very high	92.6	Very high	38 Å²	38	46.5 Å²	46.5	31%	0.314	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-45.4	174.5	0	0	0	0	0	112.2	V128 D129 S164 K170	V128-A166 HydrophobicContact CG1-CB 3.86Å; D129-A166 WeakPolarHBondContact OD2-CB 3.39Å; S164-A166 PolarHBondContact O-N 3.39Å; A166-K170 WeakPolarHBondContact O-CB 3.26Å; A166-K170 PolarHBondContact O-N 3.44Å
167	S	93.5	Very high	92.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-49.2	173.6	-83.3	0	0	0	0	112.3	E98 V128 S164 L169 K170 I171	E98-S167 VanDerWaalsContact CD-OG 3.29Å; E98-S167 VanDerWaalsContact OE1-CB 3.24Å; E98-S167 WeakPolarHBondContact OE1-CB 3.48Å; E98-S167 PolarHBondContact OE1-OG 3.45Å; V128-S167 WeakPolarHBondContact CG2-OG 3.26Å; S164-S167 WeakPolarHBondContact O-CB 3.18Å; S164-S167 PolarHBondContact O-N 3.4Å; S164-S167 WeakPolarHBondContact OG-CB 3.49Å; S164-S167 PolarHBondContact OG-N 3.21Å; S164-S167 PolarHBondContact OG-OG 2.69Å; S167-L169 PolarHBondContact O-N 3.41Å; S167-K170 WeakPolarHBondContact O-CB 3.35Å; S167-K170 PolarHBondContact O-N 3.34Å; S167-K170 VanDerWaalsContact O-N 3.07Å; S167-I171 PolarHBondContact O-N 3.06Å
168	K	93.6	Very high	92	Very high	14 Å²	14	45.3 Å²	45.3	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-49.3	176.7	-68.9	177.3	178.6	178.7	0	110.6	E85 P86 I88 I160 N161 A163 S164 L165 K170 I171 A172	E85-K168 WeakPolarHBondContact OE1-CD 3.34Å; E85-K168 IonicContact OE1-NZ 2.74Å; E85-K168 PolarHBondContact OE1-NZ 2.89Å; E85-K168 IonicContact OE2-NZ 2.71Å; E85-K168 PolarHBondContact OE2-NZ 2.91Å; P86-K168 HydrophobicContact CG-CB 3.92Å; I88-K168 HydrophobicContact CD1-CB 4.34Å; I88-K168 WeakPolarHBondContact CD1-O 3.49Å; I160-K168 WeakPolarHBondContact O-CE 3.34Å; N161-K168 WeakPolarHBondContact O-CE 3.14Å; N161-K168 PolarHBondContact O-NZ 3.35Å; A163-K168 VanDerWaalsContact O-CE 3.26Å; A163-K168 WeakPolarHBondContact O-CE 3.41Å; S164-K168 PolarHBondContact O-N 2.86Å; L165-K168 PolarHBondContact O-N 3.19Å; K168-K170 VanDerWaalsContact C-N 3.29Å; K168-K170 PolarHBondContact O-N 2.95Å; K168-I171 PolarHBondContact O-N 3.34Å; K168-I171 VanDerWaalsContact O-N 3.15Å; K168-A172 PolarHBondContact O-N 2.71Å
169	L	92.5	Very high	91.7	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-33.4	175.6	-72.4	170.5	0	0	0	112.9	P86 L165 S167 I171 A172 R173	P86-L169 HydrophobicContact CB-CD2 4.25Å; P86-L169 HydrophobicContact CG-CD2 3.98Å; P86-L169 HydrophobicContact CG-CG 4.35Å; L165-L169 HydrophobicContact CD1-CD1 4.11Å; L165-L169 HydrophobicContact CD1-CG 4.04Å; L165-L169 HydrophobicContact CG-CD1 3.87Å; L165-L169 HydrophobicContact CG-CG 4.28Å; L165-L169 VanDerWaalsContact O-CB 3.26Å; L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.32Å; L165-L169 PolarHBondContact O-N 2.81Å; S167-L169 PolarHBondContact O-N 3.41Å; L169-I171 VanDerWaalsContact C-N 3.35Å; L169-A172 PolarHBondContact O-N 3.33Å; L169-R173 VanDerWaalsContact O-CG 3.24Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 3.09Å; L169-R173 VanDerWaalsContact O-N 3.08Å
170	K	93.2	Very high	91.4	Very high	63 Å²	63	47 Å²	47	27%	0.274	26%	0.261	S	S	.	.	H	α-helix	trans	-69.1	-32.1	176.1	-153.4	-177	-165.9	118.6	0	112.8	W127 V128 A166 S167 K168 W178	W127-K170 WeakPolarHBondContact O-CE 3.2Å; W127-K170 PolarHBondContact O-NZ 2.61Å; V128-K170 HydrophobicContact CB-CD 4.27Å; V128-K170 HydrophobicContact CG1-CD 4.27Å; V128-K170 HydrophobicContact CG2-CD 3.86Å; V128-K170 PolarHBondContact O-NZ 2.87Å; A166-K170 WeakPolarHBondContact O-CB 3.26Å; A166-K170 PolarHBondContact O-N 3.44Å; S167-K170 WeakPolarHBondContact O-CB 3.35Å; S167-K170 PolarHBondContact O-N 3.34Å; S167-K170 VanDerWaalsContact O-N 3.07Å; K168-K170 VanDerWaalsContact C-N 3.29Å; K168-K170 PolarHBondContact O-N 2.95Å; K170-W178 HydrophobicContact CD-CH2 4.47Å; K170-W178 HydrophobicContact CD-CZ2 4.17Å; K170-W178 HydrophobicContact CG-CZ2 4.1Å; K170-W178 PolarHBondContact O-NE1 2.97Å
171	I	93.1	Very high	91.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-73	-45.5	170.2	-60	-163.1	0	0	0	110.8	I88 F93 I96 L134 I160 S167 K168 L169 R173 S174 P175 W178	I88-I171 HydrophobicContact CD1-CB 4.16Å; I88-I171 HydrophobicContact CD1-CG2 4.27Å; I88-I171 HydrophobicContact CG2-CG2 4.42Å; F93-I171 HydrophobicContact CD1-CD1 4.43Å; F93-I171 HydrophobicContact CD1-CG2 3.89Å; F93-I171 HydrophobicContact CD2-CG2 4.46Å; F93-I171 HydrophobicContact CE1-CG2 3.73Å; F93-I171 HydrophobicContact CE2-CG2 4.35Å; F93-I171 HydrophobicContact CG-CG2 4.26Å; F93-I171 HydrophobicContact CZ-CG2 3.98Å; I96-I171 HydrophobicContact CD1-CD1 3.94Å; I96-I171 HydrophobicContact CG2-CD1 4.5Å; L134-I171 HydrophobicContact CD1-CG1 4.2Å; I160-I171 HydrophobicContact CD1-CD1 3.49Å; I160-I171 VanDerWaalsContact CD1-CD1 3.49Å; I160-I171 HydrophobicContact CD1-CG1 4.39Å; I160-I171 HydrophobicContact CG1-CD1 3.93Å; S167-I171 PolarHBondContact O-N 3.06Å; K168-I171 PolarHBondContact O-N 3.34Å; K168-I171 VanDerWaalsContact O-N 3.15Å; L169-I171 VanDerWaalsContact C-N 3.35Å; I171-R173 PolarHBondContact O-N 2.98Å; I171-R173 VanDerWaalsContact O-N 3.16Å; I171-S174 CarbonylContact O-C 3.59Å; I171-S174 PolarHBondContact O-N 3.35Å; I171-S174 VanDerWaalsContact O-N 3.14Å; I171-P175 WeakPolarHBondContact O-CA 3.41Å; I171-P175 WeakPolarHBondContact O-CD 3.33Å; I171-P175 WeakPolarHBondContact O-CG 3.23Å; I171-P175 VanDerWaalsContact O-N 3.16Å; I171-W178 HydrophobicContact CB-CG 4.38Å; I171-W178 HydrophobicContact CD1-CB 4.48Å; I171-W178 HydrophobicContact CD1-CD2 4.43Å; I171-W178 HydrophobicContact CD1-CG 4.42Å; I171-W178 HydrophobicContact CG1-CD2 4Å; I171-W178 HydrophobicContact CG1-CE3 4.5Å; I171-W178 HydrophobicContact CG1-CG 4.05Å; I171-W178 HydrophobicContact CG2-CB 4.07Å; I171-W178 HydrophobicContact CG2-CG 4.1Å
172	A	91.2	Very high	91.3	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-29.7	-179.9	0	0	0	0	0	114	P86 I88 K168 L169 P175	P86-A172 HydrophobicContact CB-CB 3.58Å; P86-A172 HydrophobicContact CG-CB 3.91Å; I88-A172 HydrophobicContact CD1-CB 3.94Å; I88-A172 HydrophobicContact CG1-CB 4.07Å; K168-A172 PolarHBondContact O-N 2.71Å; L169-A172 PolarHBondContact O-N 3.33Å; A172-P175 WeakPolarHBondContact O-CD 3.47Å
173	R	91.2	Very high	91.1	Very high	183 Å²	183	50 Å²	50	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.5	178.5	-77.1	168.7	-176.1	175.8	3.8	114.5	L77 L169 I171	L77-R173 HydrophobicContact CD1-CG 4.12Å; L169-R173 VanDerWaalsContact O-CG 3.24Å; L169-R173 WeakPolarHBondContact O-CG 3.49Å; L169-R173 PolarHBondContact O-N 3.09Å; L169-R173 VanDerWaalsContact O-N 3.08Å; I171-R173 PolarHBondContact O-N 2.98Å; I171-R173 VanDerWaalsContact O-N 3.16Å
174	S	89	Confident	90.6	Very high	39 Å²	39	56.4 Å²	56.4	27%	0.273	30%	0.295	S	S	.	.			trans	-151.2	61.4	177.5	57.9	0	0	0	0	112.9	I171 G176 D177	I171-S174 CarbonylContact O-C 3.59Å; I171-S174 PolarHBondContact O-N 3.35Å; I171-S174 VanDerWaalsContact O-N 3.14Å; S174-G176 PolarHBondContact O-N 3.41Å; S174-D177 WeakPolarHBondContact CB-OD2 3.37Å; S174-D177 VanDerWaalsContact O-CB 3.32Å; S174-D177 WeakPolarHBondContact O-CB 3.5Å; S174-D177 PolarHBondContact O-N 3.28Å; S174-D177 VanDerWaalsContact OG-CG 3.27Å; S174-D177 PolarHBondContact OG-OD2 3.4Å
175	P	86.8	Confident	90	Very high	27 Å²	27	65.3 Å²	65.3	18%	0.175	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-34.8	-167.4	-26.8	35.8	0	0	0	114.5	F73 F93 I171 A172 D177 W178 T179	F73-P175 HydrophobicContact CD1-CG 3.79Å; F73-P175 HydrophobicContact CE1-CG 3.67Å; F73-P175 HydrophobicContact CG-CG 4.37Å; F73-P175 HydrophobicContact CZ-CG 4.17Å; F93-P175 HydrophobicContact CZ-CB 4.19Å; I171-P175 WeakPolarHBondContact O-CA 3.41Å; I171-P175 WeakPolarHBondContact O-CD 3.33Å; I171-P175 WeakPolarHBondContact O-CG 3.23Å; I171-P175 VanDerWaalsContact O-N 3.16Å; A172-P175 WeakPolarHBondContact O-CD 3.47Å; P175-D177 VanDerWaalsContact C-N 3.28Å; P175-D177 PolarHBondContact O-N 2.95Å; P175-W178 PolarHBondContact O-N 3.25Å; P175-T179 PolarHBondContact O-N 3.18Å; P175-T179 PolarHBondContact O-OG1 3.47Å; P175-T179 VanDerWaalsContact O-OG1 3.09Å
176	G	87.6	Confident	89.5	Confident	64 Å²	64	67.8 Å²	67.8	66%	0.66	35%	0.345	S	S	*	.	H	α-helix	trans	-61.1	-28.3	176.8	0	0	0	0	0	114.9	S174 W178	S174-G176 PolarHBondContact O-N 3.41Å; G176-W178 PolarHBondContact O-N 3.04Å
177	D	87.8	Confident	88.6	Confident	82 Å²	82	70.5 Å²	70.5	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-29.1	172.3	-68.5	-0.9	0	0	0	112	Y124 K126 S174 P175	Y124-D177 PolarHBondContact OH-O 3.11Å; K126-D177 IonicContact NZ-OD2 2.69Å; K126-D177 PolarHBondContact NZ-OD2 3.05Å; S174-D177 WeakPolarHBondContact CB-OD2 3.37Å; S174-D177 VanDerWaalsContact O-CB 3.32Å; S174-D177 WeakPolarHBondContact O-CB 3.5Å; S174-D177 PolarHBondContact O-N 3.28Å; S174-D177 VanDerWaalsContact OG-CG 3.27Å; S174-D177 PolarHBondContact OG-OD2 3.4Å; P175-D177 VanDerWaalsContact C-N 3.28Å; P175-D177 PolarHBondContact O-N 2.95Å
178	W	90.7	Very high	87.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-109.4	-25	-164.1	-56	102.9	0	0	0	112.4	F93 H95 I96 K126 L134 V136 K170 I171 P175 G176 M180	F93-W178 HydrophobicContact CD1-CB 3.82Å; F93-W178 HydrophobicContact CE1-CB 3.71Å; H95-W178 PolarHBondContact CE1-O 3.13Å; H95-W178 PolarHBondContact NE2-O 3.06Å; I96-W178 HydrophobicContact CD1-CB 3.89Å; I96-W178 HydrophobicContact CD1-CE3 4.04Å; K126-W178 HydrophobicContact CB-CH2 3.7Å; K126-W178 HydrophobicContact CB-CZ3 3.9Å; K126-W178 HydrophobicContact CD-CE3 4.4Å; K126-W178 HydrophobicContact CD-CH2 3.28Å; K126-W178 HydrophobicContact CD-CZ2 3.62Å; K126-W178 HydrophobicContact CD-CZ3 3.7Å; K126-W178 HydrophobicContact CG-CH2 3.46Å; K126-W178 VanDerWaalsContact CG-CH2 3.46Å; K126-W178 HydrophobicContact CG-CZ2 4.09Å; K126-W178 HydrophobicContact CG-CZ3 4.07Å; L134-W178 HydrophobicContact CB-CH2 3.96Å; L134-W178 HydrophobicContact CB-CZ3 3.75Å; L134-W178 HydrophobicContact CD1-CH2 3.37Å; L134-W178 HydrophobicContact CD1-CZ2 4.01Å; L134-W178 HydrophobicContact CD1-CZ3 3.75Å; L134-W178 HydrophobicContact CG-CH2 4.3Å; L134-W178 HydrophobicContact CG-CZ3 4.37Å; V136-W178 HydrophobicContact CG2-CE3 3.98Å; V136-W178 HydrophobicContact CG2-CZ3 4.01Å; K170-W178 HydrophobicContact CD-CH2 4.47Å; K170-W178 HydrophobicContact CD-CZ2 4.17Å; K170-W178 HydrophobicContact CG-CZ2 4.1Å; K170-W178 PolarHBondContact O-NE1 2.97Å; I171-W178 HydrophobicContact CB-CG 4.38Å; I171-W178 HydrophobicContact CD1-CB 4.48Å; I171-W178 HydrophobicContact CD1-CD2 4.43Å; I171-W178 HydrophobicContact CD1-CG 4.42Å; I171-W178 HydrophobicContact CG1-CD2 4Å; I171-W178 HydrophobicContact CG1-CE3 4.5Å; I171-W178 HydrophobicContact CG1-CG 4.05Å; I171-W178 HydrophobicContact CG2-CB 4.07Å; I171-W178 HydrophobicContact CG2-CG 4.1Å; P175-W178 PolarHBondContact O-N 3.25Å; G176-W178 PolarHBondContact O-N 3.04Å; W178-M180 PolarHBondContact O-N 3.02Å
179	T	88.8	Confident	86.8	Confident	61 Å²	61	74.8 Å²	74.8	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-25.3	175.8	-58.2	0	0	0	0	112.1	F93 P175 P181	F93-T179 WeakPolarHBondContact CE1-OG1 3.42Å; P175-T179 PolarHBondContact O-N 3.18Å; P175-T179 PolarHBondContact O-OG1 3.47Å; P175-T179 VanDerWaalsContact O-OG1 3.09Å; T179-P181 WeakPolarHBondContact O-CD 3.37Å
180	M	89	Confident	86.2	Confident	111 Å²	111	75.2 Å²	75.2	55%	0.547	39%	0.393	S	S	.	.	S	Bend	trans	-81.4	122.3	175.4	-173.7	169	63.3	0	0	110.9	W178	W178-M180 PolarHBondContact O-N 3.02Å
181	P	91.6	Very high	85.6	Confident	41 Å²	41	73.5 Å²	73.5	27%	0.266	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.6	165.8	170	-19.8	33.5	0	0	0	112.3	H95 F137 S138 T179 K183	H95-P181 VanDerWaalsContact CD2-CA 3.49Å; H95-P181 WeakPolarHBondContact CD2-CA 3.5Å; F137-P181 WeakPolarHBondContact O-CB 3.36Å; S138-P181 WeakPolarHBondContact O-CB 3.24Å; T179-P181 WeakPolarHBondContact O-CD 3.37Å; P181-K183 PolarHBondContact O-N 2.91Å
182	Y	92	Very high	85.2	Confident	47 Å²	47	76.5 Å²	76.5	18%	0.184	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-54.5	129.4	174.6	-179	-85.1	0	0	0	111.1	G122 F123 Y124 F137 S138 K184	G122-Y182 VanDerWaalsContact C-CD1 3.42Å; G122-Y182 VanDerWaalsContact CA-CE1 3.43Å; G122-Y182 WeakPolarHBondContact O-CD1 3.43Å; F123-Y182 VanDerWaalsContact CA-CD2 3.46Å; F123-Y182 WeakPolarHBondContact O-CD2 3.48Å; F123-Y182 WeakPolarHBondContact O-CE2 3.47Å; Y124-Y182 AromaticContact CD1-CD2 3.81Å; Y124-Y182 HydrophobicContact CD1-CD2 3.81Å; Y124-Y182 HydrophobicContact CG-CD2 4.44Å; F137-Y182 PolarHBondContact O-N 2.98Å; S138-Y182 WeakPolarHBondContact CA-O 3.49Å; S138-Y182 VanDerWaalsContact CB-O 3.28Å; S138-Y182 WeakPolarHBondContact CB-O 3.36Å; Y182-K184 HydrophobicContact CE1-CB 3.82Å; Y182-K184 HydrophobicContact CE1-CG 4.31Å
183	K	88.4	Confident	84.9	Confident	158 Å²	158	78.9 Å²	78.9	69%	0.687	43%	0.427	S	S	*	.			trans	-131.1	120.4	168.1	-67.1	-175.2	178.8	-176.6	0	108.1	P181 R185	P181-K183 PolarHBondContact O-N 2.91Å; K183-R185 PolarHBondContact O-N 2.97Å
184	K	82.7	Confident	84.6	Confident	138 Å²	138	77.9 Å²	77.9	60%	0.6	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-57.8	122.1	177.8	-152.7	155.4	-169.6	158.3	0	107.9	E119 Y182	E119-K184 PolarHBondContact O-NZ 2.98Å; Y182-K184 HydrophobicContact CE1-CB 3.82Å; Y182-K184 HydrophobicContact CE1-CG 4.31Å
185	R	81.1	Confident	84.5	Confident	205 Å²	205	82.9 Å²	82.9	77%	0.774	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-56.6	127.1	179.2	172.3	177.4	-76.8	-103.9	0	108.1	K183 V187	K183-R185 PolarHBondContact O-N 2.97Å; R185-V187 PolarHBondContact O-N 3.31Å
186	P	81.3	Confident	84.6	Confident	100 Å²	100	86.5 Å²	86.5	65%	0.649	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-59.4	141.5	175.2	25.9	-34.4	0	0	0	109.1	T188	P186-T188 PolarHBondContact O-N 3.31Å
187	V	76	Confident	84.7	Confident	96 Å²	96	88.2 Å²	88.2	58%	0.582	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.2	122.1	-179.5	-172.3	0	0	0	0	108.8	R185 L224	R185-V187 PolarHBondContact O-N 3.31Å; V187-L224 HydrophobicContact CB-CD2 3.69Å; V187-L224 HydrophobicContact CG1-CD2 3.67Å; V187-L224 VanDerWaalsContact O-CD2 3.24Å; V187-L224 WeakPolarHBondContact O-CD2 3.48Å
188	T	72.6	Confident	84.7	Confident	99 Å²	99	85.9 Å²	85.9	61%	0.607	44%	0.436	S	S	*	.			trans	-118.9	101.7	-176.7	52.8	0	0	0	0	111.8	P186 S190	P186-T188 PolarHBondContact O-N 3.31Å; T188-S190 PolarHBondContact O-N 3.32Å
189	T	75.6	Confident	84.7	Confident	4 Å²	4	91.3 Å²	91.3	3%	0.025	47%	0.465	C	S	.	.			trans	-50.1	130.4	167.5	-62.4	0	0	0	0	112.3	S191 T192 D220 L224	T189-S191 VanDerWaalsContact C-N 3.27Å; T189-S191 PolarHBondContact O-N 3.26Å; T189-T192 WeakPolarHBondContact O-CB 3.41Å; T189-T192 PolarHBondContact O-N 2.97Å; T189-T192 VanDerWaalsContact O-N 3.1Å; T189-D220 WeakPolarHBondContact CA-OD2 3.46Å; T189-D220 WeakPolarHBondContact CB-OD1 3.35Å; T189-D220 WeakPolarHBondContact CB-OD2 3.24Å; T189-D220 HydrophobicContact CG2-CB 4.43Å; T189-D220 WeakPolarHBondContact CG2-OD2 3.44Å; T189-D220 PolarHBondContact OG1-OD1 3.26Å; T189-D220 PolarHBondContact OG1-OD2 2.8Å; T189-L224 WeakPolarHBondContact OG1-CD1 3.49Å; T189-L224 WeakPolarHBondContact OG1-CG 3.21Å
190	S	81.3	Confident	84.8	Confident	59 Å²	59	95 Å²	95	41%	0.413	48%	0.478	S	S	.	.	H	α-helix	trans	-64.9	-28.6	178.4	66.8	0	0	0	0	113.4	T188 T192 A193 R194	T188-S190 PolarHBondContact O-N 3.32Å; S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 2.92Å; S190-A193 PolarHBondContact O-N 3.03Å; S190-R194 WeakPolarHBondContact O-CG 3.15Å; S190-R194 PolarHBondContact O-N 2.92Å; S190-R194 PolarHBondContact OG-NH1 3.05Å
191	S	80.2	Confident	85	Confident	26 Å²	26	92.2 Å²	92.2	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-59.5	-35.9	172.3	-171	0	0	0	0	112.1	T189 R194 R195 E217	T189-S191 VanDerWaalsContact C-N 3.27Å; T189-S191 PolarHBondContact O-N 3.26Å; S191-R194 PolarHBondContact O-N 2.99Å; S191-R195 VanDerWaalsContact O-CB 3.29Å; S191-R195 WeakPolarHBondContact O-CB 3.21Å; S191-R195 PolarHBondContact O-N 2.94Å; S191-E217 VanDerWaalsContact OG-CD 3.28Å; S191-E217 PolarHBondContact OG-OE1 3.03Å
192	T	83.7	Confident	84.9	Confident	64 Å²	64	93 Å²	93	39%	0.393	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-44	178	-57.6	0	0	0	0	111.7	T189 S190 R195 L196	T189-T192 WeakPolarHBondContact O-CB 3.41Å; T189-T192 PolarHBondContact O-N 2.97Å; T189-T192 VanDerWaalsContact O-N 3.1Å; S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 2.92Å; T192-R195 PolarHBondContact O-N 3.23Å; T192-L196 HydrophobicContact CG2-CD1 4.47Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 3.27Å; T192-L196 VanDerWaalsContact O-N 3.09Å
193	A	85.5	Confident	84.6	Confident	53 Å²	53	95.2 Å²	95.2	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-46.6	176	0	0	0	0	0	111.5	S190 R195 L196 I197	S190-A193 PolarHBondContact O-N 3.03Å; A193-R195 PolarHBondContact O-N 3.11Å; A193-L196 PolarHBondContact O-N 3.43Å; A193-I197 WeakPolarHBondContact O-CG1 3.42Å; A193-I197 PolarHBondContact O-N 2.95Å
194	R	85.8	Confident	84.2	Confident	162 Å²	162	92.9 Å²	92.9	61%	0.611	49%	0.493	S	S	*	.	H	α-helix	trans	-57.3	-46.4	175.5	-70.2	177.1	-167.2	136.2	6.3	111.8	S190 S191 L196 I197 S198	S190-R194 WeakPolarHBondContact O-CG 3.15Å; S190-R194 PolarHBondContact O-N 2.92Å; S190-R194 PolarHBondContact OG-NH1 3.05Å; S191-R194 PolarHBondContact O-N 2.99Å; R194-L196 PolarHBondContact O-N 3.09Å; R194-I197 PolarHBondContact O-N 3.02Å; R194-S198 WeakPolarHBondContact O-CB 3.36Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.42Å
195	R	85.8	Confident	83.6	Confident	144 Å²	144	91.3 Å²	91.3	54%	0.543	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-43.1	178	-171.9	-171.6	70	114.6	5.8	112	S191 T192 A193 N199	S191-R195 VanDerWaalsContact O-CB 3.29Å; S191-R195 WeakPolarHBondContact O-CB 3.21Å; S191-R195 PolarHBondContact O-N 2.94Å; T192-R195 PolarHBondContact O-N 3.23Å; A193-R195 PolarHBondContact O-N 3.11Å; R195-N199 WeakPolarHBondContact O-CB 3.28Å; R195-N199 PolarHBondContact O-N 3.25Å; R195-N199 PolarHBondContact O-OD1 2.66Å
196	L	89.5	Confident	82.9	Confident	103 Å²	103	88.1 Å²	88.1	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177	-70.3	171.3	0	0	0	111.7	T192 A193 R194 H200	T192-L196 HydrophobicContact CG2-CD1 4.47Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 3.27Å; T192-L196 VanDerWaalsContact O-N 3.09Å; A193-L196 PolarHBondContact O-N 3.43Å; R194-L196 PolarHBondContact O-N 3.09Å; L196-H200 WeakPolarHBondContact O-CB 3.37Å; L196-H200 PolarHBondContact O-N 3.16Å; L196-H200 VanDerWaalsContact O-N 3.08Å
197	I	88.6	Confident	82.4	Confident	99 Å²	99	89.4 Å²	89.4	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-66	-50.2	177	-65.6	163.5	0	0	0	110.9	A193 R194 N199 H200 L201	A193-I197 WeakPolarHBondContact O-CG1 3.42Å; A193-I197 PolarHBondContact O-N 2.95Å; R194-I197 PolarHBondContact O-N 3.02Å; I197-N199 PolarHBondContact O-N 3.44Å; I197-H200 PolarHBondContact O-N 3.26Å; I197-H200 VanDerWaalsContact O-N 3.13Å; I197-L201 HydrophobicContact CG2-CD1 3.67Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.05Å
198	S	89.2	Confident	82.1	Confident	34 Å²	34	92.3 Å²	92.3	24%	0.238	51%	0.507	C	S	.	.	H	α-helix	trans	-58	-44.2	176.3	-75.9	0	0	0	0	112.6	R194 H200 G202 I203	R194-S198 WeakPolarHBondContact O-CB 3.36Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.42Å; S198-H200 VanDerWaalsContact C-N 3.3Å; S198-H200 PolarHBondContact O-N 2.93Å; S198-G202 CarbonylContact O-C 3.6Å; S198-G202 PolarHBondContact O-N 3.16Å; S198-I203 WeakPolarHBondContact CB-O 3.43Å; S198-I203 PolarHBondContact O-N 3.4Å
199	N	89.6	Confident	82	Confident	114 Å²	114	92.7 Å²	92.7	61%	0.61	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-35.3	176.4	-79.1	34.2	0	0	0	112.4	R195 I197	R195-N199 WeakPolarHBondContact O-CB 3.28Å; R195-N199 PolarHBondContact O-N 3.25Å; R195-N199 PolarHBondContact O-OD1 2.66Å; I197-N199 PolarHBondContact O-N 3.44Å
200	H	91	Very high	82	Confident	138 Å²	138	94.3 Å²	94.3	64%	0.639	51%	0.512	S	S	*	.	H	α-helix	trans	-79.5	-35.2	-178.5	-172.9	30.3	0	0	0	112.9	L54 L196 I197 S198	L54-H200 VanDerWaalsContact CD2-NE2 3.31Å; L54-H200 WeakPolarHBondContact CD2-NE2 3.24Å; L196-H200 WeakPolarHBondContact O-CB 3.37Å; L196-H200 PolarHBondContact O-N 3.16Å; L196-H200 VanDerWaalsContact O-N 3.08Å; I197-H200 PolarHBondContact O-N 3.26Å; I197-H200 VanDerWaalsContact O-N 3.13Å; S198-H200 VanDerWaalsContact C-N 3.3Å; S198-H200 PolarHBondContact O-N 2.93Å
201	L	93.5	Very high	82	Confident	52 Å²	52	96.1 Å²	96.1	27%	0.272	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.2	178.4	-61.2	178.7	0	0	0	113.6	L54 I197 I203	L54-L201 HydrophobicContact CD1-CD2 4.3Å; I197-L201 HydrophobicContact CG2-CD1 3.67Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CB 3.39Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.05Å; L201-I203 HydrophobicContact CB-CD1 3.76Å; L201-I203 HydrophobicContact CB-CG1 3.78Å; L201-I203 HydrophobicContact CD1-CD1 3.81Å; L201-I203 HydrophobicContact CG-CD1 4.46Å; L201-I203 PolarHBondContact O-N 2.85Å
202	G	88.8	Confident	82.1	Confident	58 Å²	58	100.6 Å²	100.6	60%	0.598	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	3.5	-175.4	0	0	0	0	0	115.6	S198 V204	S198-G202 CarbonylContact O-C 3.6Å; S198-G202 PolarHBondContact O-N 3.16Å; G202-V204 PolarHBondContact O-N 3.08Å
203	I	85.9	Confident	81.9	Confident	93 Å²	93	101.2 Å²	101.2	48%	0.477	54%	0.539	S	S	.	.			trans	-70.9	97.7	-173.7	-57.3	171.6	0	0	0	110.2	S198 L201	S198-I203 WeakPolarHBondContact CB-O 3.43Å; S198-I203 PolarHBondContact O-N 3.4Å; L201-I203 HydrophobicContact CB-CD1 3.76Å; L201-I203 HydrophobicContact CB-CG1 3.78Å; L201-I203 HydrophobicContact CD1-CD1 3.81Å; L201-I203 HydrophobicContact CG-CD1 4.46Å; L201-I203 PolarHBondContact O-N 2.85Å
204	V	79.7	Confident	81.7	Confident	110 Å²	110	101 Å²	101	67%	0.667	53%	0.532	S	S	*	.			trans	-62.5	130.7	167.8	-176.4	0	0	0	0	108.9	G202 T206	G202-V204 PolarHBondContact O-N 3.08Å; V204-T206 PolarHBondContact O-N 2.91Å
205	P	71	Confident	81.7	Confident	105 Å²	105	98.8 Å²	98.8	68%	0.682	53%	0.53	S	S	*	.			trans	-71.4	92.8	179.5	28.5	-34.7	0	0	0	111.3	K207	P205-K207 VanDerWaalsContact C-N 3.28Å; P205-K207 PolarHBondContact O-N 2.69Å
206	T	67.5	Low	81.6	Confident	138 Å²	138	97.5 Å²	97.5	85%	0.847	53%	0.528	S	S	*	.			trans	-66.8	-26.1	178.1	53.3	0	0	0	0	113.6	V204 I208	V204-T206 PolarHBondContact O-N 2.91Å; T206-I208 PolarHBondContact O-N 3.14Å
207	K	69.6	Low	81.3	Confident	127 Å²	127	93.9 Å²	93.9	55%	0.552	51%	0.509	S	S	*	.	S	Bend	trans	-75.8	114.2	176.7	-165.4	-155.1	177	-161.7	0	110.4	P205 K209 E213	P205-K207 VanDerWaalsContact C-N 3.28Å; P205-K207 PolarHBondContact O-N 2.69Å; K207-K209 PolarHBondContact O-N 3.15Å; K207-E213 IonicContact NZ-OE1 2.86Å; K207-E213 PolarHBondContact NZ-OE1 3.02Å; K207-E213 IonicContact NZ-OE2 2.66Å; K207-E213 PolarHBondContact NZ-OE2 3.43Å
208	I	69.1	Low	81.1	Confident	157 Å²	157	95.1 Å²	95.1	81%	0.805	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-55.8	123.2	163.5	-58.3	174	0	0	0	107.9	T206 S210	T206-I208 PolarHBondContact O-N 3.14Å; I208-S210 PolarHBondContact O-N 3.32Å
209	K	70.4	Confident	81	Confident	106 Å²	106	99 Å²	99	46%	0.461	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-61.2	133.8	179	-61.6	-179.1	-178.4	-177.6	0	109.4	K207 E213 T214 E217	K207-K209 PolarHBondContact O-N 3.15Å; K209-E213 HydrophobicContact CB-CB 4.41Å; K209-T214 HydrophobicContact CB-CG2 3.79Å; K209-T214 HydrophobicContact CD-CG2 3.88Å; K209-E217 IonicContact NZ-OE1 3.39Å; K209-E217 IonicContact NZ-OE2 3.25Å; K209-E217 PolarHBondContact NZ-OE2 2.98Å
210	S	76.9	Confident	80.7	Confident	39 Å²	39	95.6 Å²	95.6	27%	0.273	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-67.8	155	170.8	77.2	0	0	0	0	110.4	I208 E212 E213 T214	I208-S210 PolarHBondContact O-N 3.32Å; S210-E212 PolarHBondContact O-N 3.05Å; S210-E213 PolarHBondContact N-OE2 2.86Å; S210-E213 WeakPolarHBondContact O-CA 3.24Å; S210-E213 WeakPolarHBondContact O-CB 3.44Å; S210-E213 PolarHBondContact O-N 3.19Å; S210-E213 WeakPolarHBondContact OG-CG 3.2Å; S210-E213 PolarHBondContact OG-N 2.86Å; S210-T214 PolarHBondContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 2.9Å
211	P	80	Confident	80.3	Confident	97 Å²	97	93.3 Å²	93.3	63%	0.63	50%	0.496	S	S	*	.	H	α-helix	trans	-57.3	-32.5	176.2	20.7	-32.5	0	0	0	112.6	T214 M215	P211-T214 WeakPolarHBondContact CA-OG1 3.47Å; P211-T214 PolarHBondContact O-OG1 2.87Å; P211-M215 VanDerWaalsContact O-CG 3.32Å; P211-M215 WeakPolarHBondContact O-CG 3.18Å; P211-M215 PolarHBondContact O-N 2.99Å
212	E	83.5	Confident	80	Confident	119 Å²	119	93.5 Å²	93.5	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-63.8	-43.9	170.6	-69.8	-172.2	-146.9	0	0	113.1	S210 T214 M215 K216	S210-E212 PolarHBondContact O-N 3.05Å; E212-T214 VanDerWaalsContact C-N 3.31Å; E212-T214 PolarHBondContact O-N 3.47Å; E212-M215 PolarHBondContact O-N 2.91Å; E212-K216 HydrophobicContact CB-CD 4.49Å; E212-K216 VanDerWaalsContact O-CB 3.31Å; E212-K216 WeakPolarHBondContact O-CB 3.37Å; E212-K216 WeakPolarHBondContact O-CD 3.35Å; E212-K216 WeakPolarHBondContact O-CG 3.49Å; E212-K216 PolarHBondContact O-N 3.46Å; E212-K216 IonicContact OE2-NZ 3.88Å; E212-K216 PolarHBondContact OE2-NZ 3.44Å
213	E	79.7	Confident	79.8	Confident	78 Å²	78	95.7 Å²	95.7	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-37.2	-179.8	-75.2	171.1	153.8	0	0	111.1	K207 K209 S210 E217	K207-E213 IonicContact NZ-OE1 2.86Å; K207-E213 PolarHBondContact NZ-OE1 3.02Å; K207-E213 IonicContact NZ-OE2 2.66Å; K207-E213 PolarHBondContact NZ-OE2 3.43Å; K209-E213 HydrophobicContact CB-CB 4.41Å; S210-E213 PolarHBondContact N-OE2 2.86Å; S210-E213 WeakPolarHBondContact O-CA 3.24Å; S210-E213 WeakPolarHBondContact O-CB 3.44Å; S210-E213 PolarHBondContact O-N 3.19Å; S210-E213 WeakPolarHBondContact OG-CG 3.2Å; S210-E213 PolarHBondContact OG-N 2.86Å; E213-E217 WeakPolarHBondContact O-CB 3.28Å; E213-E217 PolarHBondContact O-N 3.49Å
214	T	80.9	Confident	79.4	Confident	49 Å²	49	93 Å²	93	30%	0.301	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-47.3	173.1	45.6	0	0	0	0	112.2	K209 S210 P211 E212 K216 E217 E218	K209-T214 HydrophobicContact CB-CG2 3.79Å; K209-T214 HydrophobicContact CD-CG2 3.88Å; S210-T214 PolarHBondContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 2.9Å; P211-T214 WeakPolarHBondContact CA-OG1 3.47Å; P211-T214 PolarHBondContact O-OG1 2.87Å; E212-T214 VanDerWaalsContact C-N 3.31Å; E212-T214 PolarHBondContact O-N 3.47Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.86Å; T214-E217 PolarHBondContact O-N 3.13Å; T214-E217 VanDerWaalsContact O-N 3.16Å; T214-E218 WeakPolarHBondContact O-CG 3.26Å; T214-E218 PolarHBondContact O-N 2.91Å
215	M	85.8	Confident	79.5	Confident	115 Å²	115	97.3 Å²	97.3	57%	0.567	49%	0.494	S	S	*	.	H	α-helix	trans	-60.2	-42.5	177.6	-72.4	178.3	78.8	0	0	112	P211 E212 E218 Q219	P211-M215 VanDerWaalsContact O-CG 3.32Å; P211-M215 WeakPolarHBondContact O-CG 3.18Å; P211-M215 PolarHBondContact O-N 2.99Å; E212-M215 PolarHBondContact O-N 2.91Å; M215-E218 PolarHBondContact O-N 3.28Å; M215-Q219 VanDerWaalsContact O-CG 3.32Å; M215-Q219 WeakPolarHBondContact O-CG 3.42Å; M215-Q219 PolarHBondContact O-N 3.1Å
216	K	84.3	Confident	80.2	Confident	116 Å²	116	97.1 Å²	97.1	50%	0.504	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-38.8	176.5	-71.7	162.2	-176.6	168.7	0	111.6	E212 T214 D220	E212-K216 HydrophobicContact CB-CD 4.49Å; E212-K216 VanDerWaalsContact O-CB 3.31Å; E212-K216 WeakPolarHBondContact O-CB 3.37Å; E212-K216 WeakPolarHBondContact O-CD 3.35Å; E212-K216 WeakPolarHBondContact O-CG 3.49Å; E212-K216 PolarHBondContact O-N 3.46Å; E212-K216 IonicContact OE2-NZ 3.88Å; E212-K216 PolarHBondContact OE2-NZ 3.44Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.86Å; K216-D220 WeakPolarHBondContact O-CB 3.44Å; K216-D220 PolarHBondContact O-N 3.41Å; K216-D220 VanDerWaalsContact O-N 3.09Å
217	E	82.4	Confident	80.8	Confident	28 Å²	28	92.3 Å²	92.3	13%	0.131	46%	0.458	C	S	.	.	H	α-helix	trans	-70.1	-32.7	175.7	-159.3	-169.6	162.9	0	0	112.7	S191 K209 E213 T214 K221	S191-E217 VanDerWaalsContact OG-CD 3.28Å; S191-E217 PolarHBondContact OG-OE1 3.03Å; K209-E217 IonicContact NZ-OE1 3.39Å; K209-E217 IonicContact NZ-OE2 3.25Å; K209-E217 PolarHBondContact NZ-OE2 2.98Å; E213-E217 WeakPolarHBondContact O-CB 3.28Å; E213-E217 PolarHBondContact O-N 3.49Å; T214-E217 PolarHBondContact O-N 3.13Å; T214-E217 VanDerWaalsContact O-N 3.16Å; E217-K221 HydrophobicContact CG-CD 4.46Å; E217-K221 WeakPolarHBondContact O-CB 3.43Å; E217-K221 WeakPolarHBondContact O-CD 3.28Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 2.86Å; E217-K221 WeakPolarHBondContact OE1-CE 3.26Å; E217-K221 IonicContact OE1-NZ 2.69Å; E217-K221 PolarHBondContact OE1-NZ 3.49Å; E217-K221 IonicContact OE2-NZ 2.69Å
218	E	85.2	Confident	81	Confident	124 Å²	124	94.8 Å²	94.8	58%	0.579	46%	0.464	S	S	*	.	H	α-helix	trans	-72.3	-40.5	175.3	-74.6	174.3	178.4	0	0	112.5	T214 M215 K221 A222	T214-E218 WeakPolarHBondContact O-CG 3.26Å; T214-E218 PolarHBondContact O-N 2.91Å; M215-E218 PolarHBondContact O-N 3.28Å; E218-K221 PolarHBondContact O-N 3.41Å; E218-A222 WeakPolarHBondContact O-CB 3.44Å; E218-A222 PolarHBondContact O-N 2.69Å
219	Q	87	Confident	81	Confident	117 Å²	117	89.2 Å²	89.2	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-60	-47.8	171.6	-73.3	171.4	-12.5	0	0	111.6	M215 K221 A222 L223	M215-Q219 VanDerWaalsContact O-CG 3.32Å; M215-Q219 WeakPolarHBondContact O-CG 3.42Å; M215-Q219 PolarHBondContact O-N 3.1Å; Q219-K221 PolarHBondContact O-N 2.72Å; Q219-A222 WeakPolarHBondContact O-CB 3.49Å; Q219-A222 PolarHBondContact O-N 2.83Å; Q219-A222 VanDerWaalsContact O-N 3.15Å; Q219-L223 WeakPolarHBondContact O-CG 3.48Å; Q219-L223 PolarHBondContact O-N 3.46Å
220	D	82.2	Confident	80.7	Confident	42 Å²	42	90.5 Å²	90.5	23%	0.225	45%	0.451	C	S	.	.	H	α-helix	trans	-60.5	-42.9	176.1	-165	-11.3	0	0	0	110.9	T189 K216 A222 L223 L224	T189-D220 WeakPolarHBondContact CA-OD2 3.46Å; T189-D220 WeakPolarHBondContact CB-OD1 3.35Å; T189-D220 WeakPolarHBondContact CB-OD2 3.24Å; T189-D220 HydrophobicContact CG2-CB 4.43Å; T189-D220 WeakPolarHBondContact CG2-OD2 3.44Å; T189-D220 PolarHBondContact OG1-OD1 3.26Å; T189-D220 PolarHBondContact OG1-OD2 2.8Å; K216-D220 WeakPolarHBondContact O-CB 3.44Å; K216-D220 PolarHBondContact O-N 3.41Å; K216-D220 VanDerWaalsContact O-N 3.09Å; D220-A222 PolarHBondContact O-N 3.45Å; D220-L223 PolarHBondContact O-N 2.9Å; D220-L224 WeakPolarHBondContact O-CG 3.38Å; D220-L224 PolarHBondContact O-N 3.07Å
221	K	84	Confident	79.8	Confident	89 Å²	89	94.6 Å²	94.6	39%	0.387	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-36.2	173	-75.9	164.8	-173.7	160.8	0	113.6	E217 E218 Q219 R225	E217-K221 HydrophobicContact CG-CD 4.46Å; E217-K221 WeakPolarHBondContact O-CB 3.43Å; E217-K221 WeakPolarHBondContact O-CD 3.28Å; E217-K221 WeakPolarHBondContact O-CG 3.47Å; E217-K221 PolarHBondContact O-N 2.86Å; E217-K221 WeakPolarHBondContact OE1-CE 3.26Å; E217-K221 IonicContact OE1-NZ 2.69Å; E217-K221 PolarHBondContact OE1-NZ 3.49Å; E217-K221 IonicContact OE2-NZ 2.69Å; E218-K221 PolarHBondContact O-N 3.41Å; Q219-K221 PolarHBondContact O-N 2.72Å; K221-R225 WeakPolarHBondContact O-CG 3.19Å; K221-R225 PolarHBondContact O-N 3.23Å
222	A	85.7	Confident	78.6	Confident	56 Å²	56	98.7 Å²	98.7	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-67.8	-46.6	176.7	0	0	0	0	0	110.9	E218 Q219 D220 L224 R225 E226	E218-A222 WeakPolarHBondContact O-CB 3.44Å; E218-A222 PolarHBondContact O-N 2.69Å; Q219-A222 WeakPolarHBondContact O-CB 3.49Å; Q219-A222 PolarHBondContact O-N 2.83Å; Q219-A222 VanDerWaalsContact O-N 3.15Å; D220-A222 PolarHBondContact O-N 3.45Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 2.93Å; A222-R225 WeakPolarHBondContact O-CB 3.48Å; A222-R225 PolarHBondContact O-N 3.1Å; A222-E226 PolarHBondContact O-N 3.25Å
223	L	84.4	Confident	76.9	Confident	104 Å²	104	100.2 Å²	100.2	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-58.8	-40.7	173.8	-68.9	167.5	0	0	0	111.8	Q219 D220 R225 E226 A227	Q219-L223 WeakPolarHBondContact O-CG 3.48Å; Q219-L223 PolarHBondContact O-N 3.46Å; D220-L223 PolarHBondContact O-N 2.9Å; L223-R225 PolarHBondContact O-N 3.12Å; L223-E226 PolarHBondContact O-N 2.58Å; L223-A227 VanDerWaalsContact O-CB 3.3Å; L223-A227 WeakPolarHBondContact O-CB 3.46Å; L223-A227 PolarHBondContact O-N 3.06Å
224	L	77.8	Confident	75.4	Confident	37 Å²	37	101.4 Å²	101.4	19%	0.194	50%	0.498	C	S	.	.	H	α-helix	trans	-64.6	-36	172.7	-74	-157.7	0	0	0	113.5	V187 T189 D220 A222 R228	V187-L224 HydrophobicContact CB-CD2 3.69Å; V187-L224 HydrophobicContact CG1-CD2 3.67Å; V187-L224 VanDerWaalsContact O-CD2 3.24Å; V187-L224 WeakPolarHBondContact O-CD2 3.48Å; T189-L224 WeakPolarHBondContact OG1-CD1 3.49Å; T189-L224 WeakPolarHBondContact OG1-CG 3.21Å; D220-L224 WeakPolarHBondContact O-CG 3.38Å; D220-L224 PolarHBondContact O-N 3.07Å; A222-L224 VanDerWaalsContact C-N 3.32Å; A222-L224 PolarHBondContact O-N 2.93Å; L224-R228 WeakPolarHBondContact O-CB 3.28Å; L224-R228 WeakPolarHBondContact O-CG 3.27Å; L224-R228 PolarHBondContact O-N 3.04Å
225	R	82.9	Confident	74.1	Confident	201 Å²	201	106.7 Å²	106.7	76%	0.758	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-45.4	175.9	-75.9	170.2	175	-178.6	-1.4	110.7	K221 A222 L223 R228 G229	K221-R225 WeakPolarHBondContact O-CG 3.19Å; K221-R225 PolarHBondContact O-N 3.23Å; A222-R225 WeakPolarHBondContact O-CB 3.48Å; A222-R225 PolarHBondContact O-N 3.1Å; L223-R225 PolarHBondContact O-N 3.12Å; R225-R228 PolarHBondContact O-N 2.97Å; R225-G229 PolarHBondContact O-N 3.07Å
226	E	85.4	Confident	72.6	Confident	100 Å²	100	104.3 Å²	104.3	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-49.4	176.3	-165.6	-156.6	140.5	0	0	111.6	A222 L223 R228 G229 K230	A222-E226 PolarHBondContact O-N 3.25Å; L223-E226 PolarHBondContact O-N 2.58Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.49Å; E226-G229 PolarHBondContact O-N 2.91Å; E226-G229 VanDerWaalsContact O-N 3.1Å; E226-K230 PolarHBondContact O-N 3.43Å; E226-K230 WeakPolarHBondContact OE1-CE 3.44Å; E226-K230 IonicContact OE1-NZ 3.87Å; E226-K230 PolarHBondContact OE1-NZ 2.69Å
227	A	79.3	Confident	71.2	Confident	38 Å²	38	106.5 Å²	106.5	31%	0.314	52%	0.522	S	S	.	.	H	α-helix	trans	-60.7	-35.7	178.2	0	0	0	0	0	112.7	L223	L223-A227 VanDerWaalsContact O-CB 3.3Å; L223-A227 WeakPolarHBondContact O-CB 3.46Å; L223-A227 PolarHBondContact O-N 3.06Å
228	R	75	Confident	69.8	Low	179 Å²	179	114.6 Å²	114.6	68%	0.675	55%	0.552	S	S	*	*	H	α-helix	trans	-73	-34.5	174.6	-71.1	173.6	83.4	174.2	6.2	112.4	L224 R225 E226 K230 L231 Y232	L224-R228 WeakPolarHBondContact O-CB 3.28Å; L224-R228 WeakPolarHBondContact O-CG 3.27Å; L224-R228 PolarHBondContact O-N 3.04Å; R225-R228 PolarHBondContact O-N 2.97Å; E226-R228 VanDerWaalsContact C-N 3.28Å; E226-R228 PolarHBondContact O-N 3.49Å; R228-K230 PolarHBondContact O-N 2.54Å; R228-L231 PolarHBondContact O-N 3.29Å; R228-Y232 WeakPolarHBondContact O-CD2 3.47Å
229	G	68.3	Low	68.4	Low	39 Å²	39	115.8 Å²	115.8	40%	0.402	56%	0.556	S	S	.	*	H	α-helix	trans	-60.1	-42.7	175.3	0	0	0	0	0	112.8	R225 E226 L231 Y232	R225-G229 PolarHBondContact O-N 3.07Å; E226-G229 PolarHBondContact O-N 2.91Å; E226-G229 VanDerWaalsContact O-N 3.1Å; G229-L231 PolarHBondContact O-N 2.82Å; G229-Y232 PolarHBondContact O-N 3.16Å
230	K	64.3	Low	67	Low	134 Å²	134	115.8 Å²	115.8	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-60.5	-26	180	-67.5	177.2	-174	175.4	0	114	E226 R228	E226-K230 PolarHBondContact O-N 3.43Å; E226-K230 WeakPolarHBondContact OE1-CE 3.44Å; E226-K230 IonicContact OE1-NZ 3.87Å; E226-K230 PolarHBondContact OE1-NZ 2.69Å; R228-K230 PolarHBondContact O-N 2.54Å
231	L	58.5	Low	65.7	Low	125 Å²	125	117.5 Å²	117.5	65%	0.654	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-23.3	179.7	-69.6	171.4	0	0	0	114.3	R228 G229	R228-L231 PolarHBondContact O-N 3.29Å; G229-L231 PolarHBondContact O-N 2.82Å
232	Y	53.4	Low	64.4	Low	183 Å²	183	118 Å²	118	72%	0.718	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-13	-175.1	-78.7	-86	0	0	0	114.3	R228 G229	R228-Y232 WeakPolarHBondContact O-CD2 3.47Å; G229-Y232 PolarHBondContact O-N 3.16Å
233	M	47.9	Very low	63.2	Low	151 Å²	151	120 Å²	120	74%	0.744	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-17.7	-173.5	-67.2	-64.2	148.1	0	0	114.7	P236	M233-P236 VanDerWaalsContact O-CD 3.32Å; M233-P236 WeakPolarHBondContact O-CD 3.5Å
234	C	49	Very low	61.9	Low	103 Å²	103	123.4 Å²	123.4	70%	0.696	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-8.6	-177.5	-63.3	0	0	0	0	115
235	F	53.3	Low	61	Low	159 Å²	159	126.4 Å²	126.4	70%	0.697	61%	0.612	S	S	*	*	S	Bend	trans	-92.5	-20.5	-175	-91.2	-86.2	0	0	0	118.9	H237	F235-H237 PolarHBondContact O-N 3.18Å
236	P	54.8	Low	60	Low	66 Å²	66	121 Å²	121	43%	0.429	60%	0.597	S	S	.	*	H	α-helix	trans	-71.4	-32.8	-170.1	27.1	-33.2	0	0	0	114	M233 Y238 F239 L240	M233-P236 VanDerWaalsContact O-CD 3.32Å; M233-P236 WeakPolarHBondContact O-CD 3.5Å; P236-Y238 PolarHBondContact O-N 3Å; P236-F239 PolarHBondContact O-N 2.8Å; P236-L240 PolarHBondContact O-N 3.3Å
237	H	53.9	Low	58.5	Low	162 Å²	162	119.9 Å²	119.9	75%	0.75	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-34.9	-172.8	-108.2	-113.5	0	0	0	114.2	F235	F235-H237 PolarHBondContact O-N 3.18Å
238	Y	53.7	Low	57.2	Low	197 Å²	197	125.2 Å²	125.2	77%	0.773	62%	0.621	S	S	*	*	H	α-helix	trans	-76.9	-30.7	179.3	-78	-80.1	0	0	0	113	P236 L242	P236-Y238 PolarHBondContact O-N 3Å; Y238-L242 PolarHBondContact O-N 2.74Å
239	F	55.8	Low	56.3	Low	149 Å²	149	122 Å²	122	65%	0.654	62%	0.621	S	S	*	*	H	α-helix	trans	-74.2	-42.1	-178.1	-157.9	-102	0	0	0	112.2	P236 C241 L242 I243	P236-F239 PolarHBondContact O-N 2.8Å; F239-C241 VanDerWaalsContact C-N 3.34Å; F239-C241 PolarHBondContact O-N 2.71Å; F239-L242 PolarHBondContact O-N 2.8Å; F239-I243 HydrophobicContact CD1-CD1 3.88Å; F239-I243 HydrophobicContact CE1-CD1 3.84Å; F239-I243 WeakPolarHBondContact O-CG1 3.33Å; F239-I243 PolarHBondContact O-N 2.83Å
240	L	57.4	Low	55.4	Low	117 Å²	117	127.7 Å²	127.7	61%	0.613	64%	0.635	S	S	*	*	H	α-helix	trans	-61.7	-39.7	174.7	-90.1	157.7	0	0	0	112.7	P236	P236-L240 PolarHBondContact O-N 3.3Å
241	C	55.4	Low	54.7	Low	78 Å²	78	132.2 Å²	132.2	53%	0.527	65%	0.649	S	S	.	*	H	α-helix	trans	-63.6	-43.2	178.2	-168.8	0	0	0	0	112	F239 I243 F244 V245	F239-C241 VanDerWaalsContact C-N 3.34Å; F239-C241 PolarHBondContact O-N 2.71Å; C241-I243 VanDerWaalsContact C-N 3.33Å; C241-I243 PolarHBondContact O-N 3.32Å; C241-F244 PolarHBondContact O-N 2.9Å; C241-F244 VanDerWaalsContact O-N 3.16Å; C241-V245 PolarHBondContact O-N 3.21Å
242	L	56	Low	54.1	Low	101 Å²	101	131.8 Å²	131.8	53%	0.529	65%	0.651	S	S	.	*	H	α-helix	trans	-63.7	-37.4	-177.9	-146.6	78.1	0	0	0	112.7	Y238 F239 F244 V245 I246	Y238-L242 PolarHBondContact O-N 2.74Å; F239-L242 PolarHBondContact O-N 2.8Å; L242-F244 VanDerWaalsContact C-N 3.25Å; L242-F244 PolarHBondContact O-N 2.96Å; L242-V245 PolarHBondContact O-N 2.86Å; L242-I246 HydrophobicContact CD2-CD1 4.02Å; L242-I246 HydrophobicContact CG-CD1 3.88Å; L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 2.98Å
243	I	60.1	Low	53.9	Low	97 Å²	97	130.8 Å²	130.8	50%	0.497	66%	0.658	S	S	.	*	H	α-helix	trans	-63.1	-30.4	177.7	-67.5	169.6	0	0	0	111.9	F239 C241 P247	F239-I243 HydrophobicContact CD1-CD1 3.88Å; F239-I243 HydrophobicContact CE1-CD1 3.84Å; F239-I243 WeakPolarHBondContact O-CG1 3.33Å; F239-I243 PolarHBondContact O-N 2.83Å; C241-I243 VanDerWaalsContact C-N 3.33Å; C241-I243 PolarHBondContact O-N 3.32Å; I243-P247 WeakPolarHBondContact O-CD 3.38Å; I243-P247 VanDerWaalsContact O-CG 3.29Å; I243-P247 WeakPolarHBondContact O-CG 3.41Å
244	F	56.9	Low	53.9	Low	175 Å²	175	128.1 Å²	128.1	77%	0.768	65%	0.654	S	S	*	*	H	α-helix	trans	-84	-22.1	179.5	-109.4	-89.8	0	0	0	114.5	C241 L242	C241-F244 PolarHBondContact O-N 2.9Å; C241-F244 VanDerWaalsContact O-N 3.16Å; L242-F244 VanDerWaalsContact C-N 3.25Å; L242-F244 PolarHBondContact O-N 2.96Å
245	V	60.1	Low	54	Low	101 Å²	101	130.7 Å²	130.7	61%	0.612	66%	0.661	S	S	*	*	H	α-helix	trans	-91.9	-35.8	-177.3	178.7	0	0	0	0	112.6	C241 L242	C241-V245 PolarHBondContact O-N 3.21Å; L242-V245 PolarHBondContact O-N 2.86Å
246	I	61	Low	53.9	Low	86 Å²	86	128.6 Å²	128.6	44%	0.441	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-60.2	-34.8	-179.4	-69.7	169.7	0	0	0	115.4	L242 L248 V249 F250	L242-I246 HydrophobicContact CD2-CD1 4.02Å; L242-I246 HydrophobicContact CG-CD1 3.88Å; L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 2.98Å; I246-L248 VanDerWaalsContact C-N 3.27Å; I246-L248 PolarHBondContact O-N 3.18Å; I246-L248 VanDerWaalsContact O-N 3.1Å; I246-V249 PolarHBondContact O-N 2.84Å; I246-F250 HydrophobicContact CG2-CD2 4.31Å
247	P	54.9	Low	53.9	Low	78 Å²	78	134.8 Å²	134.8	51%	0.506	68%	0.677	S	S	.	*	G	3₁₀ helix	trans	-58.9	-26.5	-171.3	-29.4	36.7	0	0	0	116.5	I243	I243-P247 WeakPolarHBondContact O-CD 3.38Å; I243-P247 VanDerWaalsContact O-CG 3.29Å; I243-P247 WeakPolarHBondContact O-CG 3.41Å
248	L	52.5	Low	53.5	Low	149 Å²	149	133.9 Å²	133.9	78%	0.78	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-72.3	-35.6	-179.2	-96.1	72.4	0	0	0	113.1	I246	I246-L248 VanDerWaalsContact C-N 3.27Å; I246-L248 PolarHBondContact O-N 3.18Å; I246-L248 VanDerWaalsContact O-N 3.1Å
249	V	54.5	Low	53.4	Low	111 Å²	111	135.6 Å²	135.6	67%	0.673	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-75.5	-29.4	-173.8	-175.7	0	0	0	0	111.7	I246 R251	I246-V249 PolarHBondContact O-N 2.84Å; V249-R251 PolarHBondContact O-N 3.46Å; V249-R251 VanDerWaalsContact O-N 3.13Å
250	F	50.5	Low	52.9	Low	159 Å²	159	135 Å²	135	70%	0.697	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-71.2	-5.4	-177.2	-114.2	-80.4	0	0	0	115	I246	I246-F250 HydrophobicContact CG2-CD2 4.31Å
251	R	48.7	Very low	52.5	Low	229 Å²	229	136 Å²	136	86%	0.864	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-88.8	-3.1	-171.5	-146.2	173.4	-173.9	176.6	1.9	114.9	V249	V249-R251 PolarHBondContact O-N 3.46Å; V249-R251 VanDerWaalsContact O-N 3.13Å
252	T	47.3	Very low	52.1	Low	116 Å²	116	137 Å²	137	71%	0.712	68%	0.68	S	S	*	*	S	Bend	trans	-114.9	-17.8	-174.3	53.6	0	0	0	0	115.6	S254	T252-S254 PolarHBondContact O-N 3.05Å
253	L	48.9	Very low	51.8	Low	162 Å²	162	136.4 Å²	136.4	85%	0.848	69%	0.69	S	S	*	*			trans	-97	81.3	171.7	-83.5	84.6	0	0	0	111.2
254	S	47.6	Very low	51.2	Low	96 Å²	96	136.3 Å²	136.3	67%	0.671	70%	0.698	S	S	*	*			trans	-139.4	55.7	171.3	-173.6	0	0	0	0	111.9	T252	T252-S254 PolarHBondContact O-N 3.05Å
255	N	50.4	Low	50.6	Low	157 Å²	157	132 Å²	132	84%	0.84	69%	0.689	S	S	*	*			trans	-119.3	144.6	165	-97	-34.6	0	0	0	110.4
256	D	51.3	Low	50	Low	115 Å²	115	131.1 Å²	131.1	62%	0.615	70%	0.7	S	S	*	*	S	Bend	trans	21.2	114	179.7	-86.1	-69.6	0	0	0	121.6	Q258	D256-Q258 PolarHBondContact O-N 3.15Å
257	K	55.6	Low	49.2	Very low	195 Å²	195	132.8 Å²	132.8	85%	0.848	71%	0.709	S	S	*	*	S	Bend	trans	68.7	-8.9	135.4	-66.8	177.8	-179.7	101.8	0	121.3
258	Q	46	Very low	48.9	Very low	144 Å²	144	138.7 Å²	138.7	67%	0.673	73%	0.73	S	S	*	*			trans	-131.9	116.9	164.4	-71.4	-167	-13.9	0	0	113.3	D256	D256-Q258 PolarHBondContact O-N 3.15Å
259	R	50	Low	48.5	Very low	233 Å²	233	136.7 Å²	136.7	88%	0.879	72%	0.72	S	S	*	*			trans	-102	116.8	170.7	-87.8	-172	166.6	-157	-4.4	110
260	W	46.6	Very low	47.6	Very low	135 Å²	135	134.8 Å²	134.8	51%	0.511	72%	0.716	S	S	.	*			trans	-94.1	132.7	172.7	-56.6	103.9	0	0	0	110.2	L274	W260-L274 HydrophobicContact CD2-CD2 4.31Å; W260-L274 HydrophobicContact CE3-CD2 3.63Å; W260-L274 HydrophobicContact CZ3-CD2 4.01Å
261	I	48.1	Very low	47.2	Very low	139 Å²	139	134.5 Å²	134.5	71%	0.713	71%	0.71	S	S	*	*			trans	-103.8	110.6	170.4	-59.3	178.3	0	0	0	107.3	A263	I261-A263 PolarHBondContact O-N 3.24Å
262	V	48.1	Very low	47	Very low	98 Å²	98	131 Å²	131	59%	0.594	70%	0.702	S	S	*	*			trans	-91.4	99	176.1	-177.6	0	0	0	0	108.8	S264 F272	V262-S264 PolarHBondContact O-N 3.04Å; V262-F272 HydrophobicContact CG1-CD1 4.03Å; V262-F272 HydrophobicContact CG1-CE1 4.01Å
263	A	48	Very low	46.9	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	70%	0.697	S	S	*	*			trans	-88.7	99.1	172.8	0	0	0	0	0	110.2	I261 S265	I261-A263 PolarHBondContact O-N 3.24Å; A263-S265 PolarHBondContact O-N 3.42Å
264	S	47.4	Very low	46.4	Very low	95 Å²	95	128.7 Å²	128.7	66%	0.664	69%	0.688	S	S	*	*			trans	-80.2	108.4	172.9	57.2	0	0	0	0	110.9	V262 G266	V262-S264 PolarHBondContact O-N 3.04Å; S264-G266 PolarHBondContact O-N 3.21Å
265	S	44.7	Very low	46.1	Very low	84 Å²	84	132.1 Å²	132.1	59%	0.587	69%	0.692	S	S	*	*			trans	-69.5	127.3	166	-174.6	0	0	0	0	109.6	A263 I267	A263-S265 PolarHBondContact O-N 3.42Å; S265-I267 PolarHBondContact O-N 2.75Å
266	G	48.1	Very low	45.5	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	68%	0.684	S	S	*	*			trans	-73.1	28.7	-174.3	0	0	0	0	0	115.8	S264	S264-G266 PolarHBondContact O-N 3.21Å
267	I	44.7	Very low	45.3	Very low	122 Å²	122	128.6 Å²	128.6	63%	0.626	69%	0.693	S	S	*	*	S	Bend	trans	-94.3	140.4	177.9	-60.5	174.7	0	0	0	108.4	S265 D269	S265-I267 PolarHBondContact O-N 2.75Å; I267-D269 PolarHBondContact O-N 3.12Å
268	Q	47.1	Very low	44.9	Very low	201 Å²	201	130.8 Å²	130.8	94%	0.939	70%	0.696	S	S	*	*	S	Bend	trans	-71.5	25.1	-172.1	-64.4	-179.5	-36.8	0	0	115.3
269	D	44.2	Very low	44.8	Very low	107 Å²	107	131.2 Å²	131.2	57%	0.572	70%	0.698	S	S	*	*	S	Bend	trans	-145.6	66.3	177.1	-153.5	-8.7	0	0	0	109.4	I267 R271	I267-D269 PolarHBondContact O-N 3.12Å; D269-R271 PolarHBondContact O-N 2.8Å
270	A	37.5	Very low	44.4	Very low	71 Å²	71	128 Å²	128	59%	0.587	70%	0.698	S	S	*	*			trans	-77.7	92.3	-164.7	0	0	0	0	0	113.4
271	R	41.2	Very low	44.4	Very low	153 Å²	153	132.3 Å²	132.3	58%	0.577	71%	0.714	S	S	*	*			trans	-80.1	119	160.2	-62.4	-173.8	-175.9	-157	-0.7	109.6	E65 V67 D269	E65-R271 IonicContact OE1-NH1 2.79Å; V67-R271 PolarHBondContact O-NH2 3.42Å; D269-R271 PolarHBondContact O-N 2.8Å
272	F	45.1	Very low	44.2	Very low	157 Å²	157	135 Å²	135	69%	0.689	72%	0.716	S	S	*	*			trans	-74.8	130.6	172.9	-65.4	-87.7	0	0	0	110.5	V262	V262-F272 HydrophobicContact CG1-CD1 4.03Å; V262-F272 HydrophobicContact CG1-CE1 4.01Å
273	V	43.7	Very low	44.4	Very low	102 Å²	102	136.9 Å²	136.9	62%	0.618	72%	0.721	S	S	*	*			trans	-115.1	116.1	173.7	-172.3	0	0	0	0	109.2	F275	V273-F275 HydrophobicContact CB-CD2 4.46Å; V273-F275 HydrophobicContact CB-CE2 4.12Å; V273-F275 HydrophobicContact CG1-CD2 3.85Å; V273-F275 HydrophobicContact CG1-CE2 3.39Å; V273-F275 HydrophobicContact CG1-CZ 3.87Å; V273-F275 PolarHBondContact O-N 3.35Å
274	L	40.1	Very low	44.4	Very low	126 Å²	126	141 Å²	141	66%	0.66	73%	0.726	S	S	*	*			trans	-88.2	102.3	178.3	-82.8	159.3	0	0	0	110.3	W260	W260-L274 HydrophobicContact CD2-CD2 4.31Å; W260-L274 HydrophobicContact CE3-CD2 3.63Å; W260-L274 HydrophobicContact CZ3-CD2 4.01Å
275	F	39.6	Very low	44.4	Very low	169 Å²	169	139.6 Å²	139.6	74%	0.741	72%	0.719	S	S	*	*			trans	-92.1	105.3	168.9	-74.6	-79.4	0	0	0	110.7	V273 T277	V273-F275 HydrophobicContact CB-CD2 4.46Å; V273-F275 HydrophobicContact CB-CE2 4.12Å; V273-F275 HydrophobicContact CG1-CD2 3.85Å; V273-F275 HydrophobicContact CG1-CE2 3.39Å; V273-F275 HydrophobicContact CG1-CZ 3.87Å; V273-F275 PolarHBondContact O-N 3.35Å; F275-T277 PolarHBondContact O-N 3.07Å
276	G	39.1	Very low	44.7	Very low	66 Å²	66	141.6 Å²	141.6	68%	0.68	72%	0.722	S	S	*	*			trans	-78	110.2	166.6	0	0	0	0	0	110.3
277	T	47.4	Very low	44.6	Very low	132 Å²	132	148 Å²	148	81%	0.81	72%	0.721	S	S	*	*			trans	-91	143	175	53.1	0	0	0	0	111.1	F275	F275-T277 PolarHBondContact O-N 3.07Å
278	R	45.8	Very low	44.7	Very low	240 Å²	240	147.2 Å²	147.2	91%	0.906	72%	0.722	S	S	*	*			trans	-125.5	120.8	175.5	-162	176.7	-174.3	-175.5	1.2	107.7
279	E	44.1	Very low	44.7	Very low	153 Å²	153	143 Å²	143	72%	0.715	71%	0.71	S	S	*	*			trans	41.2	94.5	-178.6	-72.5	-163.1	91.7	0	0	117.8	R281	E279-R281 IonicContact OE1-NH2 3.83Å
280	L	42.6	Very low	44.9	Very low	167 Å²	167	143.2 Å²	143.2	87%	0.874	72%	0.718	S	S	*	*			trans	-133.3	115.4	148.8	-82.7	178.9	0	0	0	111	Y282	L280-Y282 PolarHBondContact O-N 2.93Å
281	R	45.6	Very low	45.4	Very low	224 Å²	224	145 Å²	145	85%	0.845	72%	0.722	S	S	*	*			trans	-83.5	88	177.8	-54.8	178.4	-161.4	168.9	5.9	109.7	E279	E279-R281 IonicContact OE1-NH2 3.83Å
282	Y	45.2	Very low	45.7	Very low	196 Å²	196	148.4 Å²	148.4	77%	0.769	74%	0.737	S	S	*	*			trans	-150.6	0.6	178.5	-138.6	-96.1	0	0	0	117.1	L280 E284	L280-Y282 PolarHBondContact O-N 2.93Å; Y282-E284 PolarHBondContact O-N 2.71Å
283	I	51.5	Low	45.9	Very low	137 Å²	137	145.6 Å²	145.6	70%	0.703	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-16.7	-165.2	-66.9	177.6	0	0	0	114.1	A285	I283-A285 VanDerWaalsContact C-N 3.3Å; I283-A285 PolarHBondContact O-N 3.43Å
284	E	47.5	Very low	45.5	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	77%	0.774	S	S	*	*	H	α-helix	trans	-66	-28	-178.6	-72.7	-176.8	123.4	0	0	113.9	Y282 I286 R287	Y282-E284 PolarHBondContact O-N 2.71Å; E284-I286 VanDerWaalsContact C-N 3.29Å; E284-I286 PolarHBondContact O-N 3.09Å; E284-R287 PolarHBondContact O-N 2.69Å
285	A	48.5	Very low	45.8	Very low	64 Å²	64	153.6 Å²	153.6	53%	0.529	78%	0.78	S	S	.	*	H	α-helix	trans	-61.5	-32.1	-178.1	0	0	0	0	0	114.1	I283	I283-A285 VanDerWaalsContact C-N 3.3Å; I283-A285 PolarHBondContact O-N 3.43Å
286	I	50.3	Low	46.1	Very low	127 Å²	127	152.8 Å²	152.8	65%	0.651	78%	0.782	S	S	*	*	H	α-helix	trans	-76	-26.7	-175.4	-62.8	178.3	0	0	0	111.5	E284 T288	E284-I286 VanDerWaalsContact C-N 3.29Å; E284-I286 PolarHBondContact O-N 3.09Å; I286-T288 VanDerWaalsContact C-N 3.33Å; I286-T288 PolarHBondContact O-N 3.07Å
287	R	46.1	Very low	46.5	Very low	216 Å²	216	157.6 Å²	157.6	82%	0.815	79%	0.788	S	S	*	*	H	α-helix	trans	-75	-20.9	-169.2	-152.2	172	-170.2	177.2	0.7	114	E284	E284-R287 PolarHBondContact O-N 2.69Å
288	T	46.2	Very low	46.4	Very low	105 Å²	105	159.1 Å²	159.1	64%	0.644	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-21.6	-177.4	-47	0	0	0	0	113.4	I286 T291	I286-T288 VanDerWaalsContact C-N 3.33Å; I286-T288 PolarHBondContact O-N 3.07Å; T288-T291 PolarHBondContact O-OG1 3.04Å; T288-T291 VanDerWaalsContact O-OG1 3.11Å
289	V	48	Very low	46.5	Very low	113 Å²	113	154.1 Å²	154.1	69%	0.685	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-79.3	-31.2	-173.6	-175.8	0	0	0	0	112.2	T291	V289-T291 VanDerWaalsContact C-N 3.26Å; V289-T291 PolarHBondContact O-N 3.06Å
290	C	48.1	Very low	46.6	Very low	112 Å²	112	154.1 Å²	154.1	76%	0.757	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-78.5	1.8	-174.6	-61.7	0	0	0	0	115.3
291	T	48.2	Very low	46.9	Very low	109 Å²	109	153.2 Å²	153.2	67%	0.669	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-98.2	7.3	179	36.8	0	0	0	0	114.4	T288 V289	T288-T291 PolarHBondContact O-OG1 3.04Å; T288-T291 VanDerWaalsContact O-OG1 3.11Å; V289-T291 VanDerWaalsContact C-N 3.26Å; V289-T291 PolarHBondContact O-N 3.06Å
292	Y	48	Very low	47	Very low	224 Å²	224	147.8 Å²	147.8	88%	0.878	77%	0.772	S	S	*	*	S	Bend	trans	-129.4	50.6	-178.5	-103.7	-84.4	0	0	0	112.9
293	A	47.9	Very low	47.2	Very low	97 Å²	97	143.8 Å²	143.8	80%	0.802	77%	0.772	S	S	*	*			trans	-153.8	89.1	167	0	0	0	0	0	110.5
294	N	35.5	Very low	46.8	Very low	243 Å²	243	144.4 Å²	144.4	100%	1.299	78%	0.778	S	S	*	*			trans	-123.6	0	163.4	-146.7	35.9	0	0	0	106.2

Retrieved 294 of 294 residues in 51.7 ms (Link to these results)

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