A0A096MUB4_PAPAN Loading...

Folate receptor gamma

AlphaFold DB , UniProt , Accession A0A096MUB4, Species PAPAN (Papio anubis, Olive baboon), Gene FOLR3, Length 245 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	48.8	Very low	50.1	Low	237 Å²	237	134.4 Å²	134.4	100%	1.167	67%	0.668	S	S	*	*				0	105.6	0	-79.4	168.3	62.4	0	0	106.4	M3	M1-M3 PolarHBondContact O-N 3.36Å
2	D	51.8	Low	49.7	Very low	123 Å²	123	133.3 Å²	133.3	66%	0.658	67%	0.665	S	S	*	*			trans	-71.7	118.8	-147.9	-78.3	-58.1	0	0	0	114.9	A4 W5	D2-A4 HydrophobicContact CB-CB 4.2Å; D2-A4 PolarHBondContact O-N 3.36Å; D2-A4 VanDerWaalsContact O-N 3.08Å; D2-W5 HydrophobicContact CB-CB 4.47Å; D2-W5 WeakPolarHBondContact O-CB 3.26Å; D2-W5 PolarHBondContact O-N 3.2Å
3	M	54.4	Low	49.2	Very low	154 Å²	154	133.9 Å²	133.9	76%	0.759	67%	0.671	S	S	*	*	H	α-helix	trans	-54.1	-19.1	160.3	-91.6	-179.5	41.6	0	0	112.8	M1 W5 M7	M1-M3 PolarHBondContact O-N 3.36Å; M3-W5 VanDerWaalsContact C-N 3.32Å; M3-M7 WeakPolarHBondContact O-CG 3.13Å; M3-M7 PolarHBondContact O-N 2.88Å
4	A	54.1	Low	48.7	Very low	65 Å²	65	129.9 Å²	129.9	54%	0.537	67%	0.669	S	S	.	*	H	α-helix	trans	-70.3	-24.8	173.3	0	0	0	0	0	113.1	D2 M8	D2-A4 HydrophobicContact CB-CB 4.2Å; D2-A4 PolarHBondContact O-N 3.36Å; D2-A4 VanDerWaalsContact O-N 3.08Å; A4-M8 PolarHBondContact O-N 3.22Å
5	W	48.6	Very low	48.5	Very low	185 Å²	185	130.9 Å²	130.9	70%	0.701	68%	0.675	S	S	*	*	H	α-helix	trans	-78.9	-37.6	179.7	-168.9	-87.2	0	0	0	112.4	D2 M3 M8 Q9	D2-W5 HydrophobicContact CB-CB 4.47Å; D2-W5 WeakPolarHBondContact O-CB 3.26Å; D2-W5 PolarHBondContact O-N 3.2Å; M3-W5 VanDerWaalsContact C-N 3.32Å; W5-M8 PolarHBondContact O-N 3.05Å; W5-Q9 PolarHBondContact O-N 3.24Å
6	Q	49.3	Very low	48.6	Very low	134 Å²	134	130.4 Å²	130.4	63%	0.626	68%	0.68	S	S	*	*	H	α-helix	trans	-71.9	-33	175.7	-81.6	175.4	-57.4	0	0	112.6	Q9 L10	Q6-Q9 PolarHBondContact O-N 3.26Å; Q6-L10 PolarHBondContact O-N 2.7Å
7	M	51.6	Low	48.5	Very low	115 Å²	115	130.5 Å²	130.5	57%	0.567	69%	0.687	S	S	*	*	H	α-helix	trans	-73.1	-27.5	175.8	-69.5	-63.7	-72	0	0	113	M3 L11	M3-M7 WeakPolarHBondContact O-CG 3.13Å; M3-M7 PolarHBondContact O-N 2.88Å; M7-L11 PolarHBondContact O-N 2.97Å
8	M	50.4	Low	48.2	Very low	121 Å²	121	128.6 Å²	128.6	60%	0.596	69%	0.693	S	S	*	*	H	α-helix	trans	-72.5	-32.2	174.8	-158.4	71.6	68.4	0	0	112.4	A4 W5 L12	A4-M8 PolarHBondContact O-N 3.22Å; W5-M8 PolarHBondContact O-N 3.05Å; M8-L12 WeakPolarHBondContact O-CG 3.4Å; M8-L12 PolarHBondContact O-N 3.46Å
9	Q	49.8	Very low	48	Very low	107 Å²	107	127.4 Å²	127.4	50%	0.5	70%	0.696	S	S	.	*	H	α-helix	trans	-74.2	-31.3	177.4	-71	-175.7	-23.2	0	0	112.8	W5 Q6 L13	W5-Q9 PolarHBondContact O-N 3.24Å; Q6-Q9 PolarHBondContact O-N 3.26Å; Q9-L13 PolarHBondContact O-N 2.61Å
10	L	46.2	Very low	47.7	Very low	120 Å²	120	124.6 Å²	124.6	63%	0.628	70%	0.698	S	S	*	*	H	α-helix	trans	-75.4	-28.5	176.8	-73.8	162.8	0	0	0	113	Q6	Q6-L10 PolarHBondContact O-N 2.7Å
11	L	46	Very low	47.3	Very low	117 Å²	117	123.6 Å²	123.6	61%	0.613	70%	0.699	S	S	*	*	H	α-helix	trans	-75.8	-24.7	174.2	-81	159.2	0	0	0	113.3	M7	M7-L11 PolarHBondContact O-N 2.97Å
12	L	45.1	Very low	47.2	Very low	121 Å²	121	116.8 Å²	116.8	63%	0.634	68%	0.681	S	S	*	*	H	α-helix	trans	-83.2	-18.8	177.1	-73.6	165.7	0	0	0	113.6	M8	M8-L12 WeakPolarHBondContact O-CG 3.4Å; M8-L12 PolarHBondContact O-N 3.46Å
13	L	43.2	Very low	46.5	Very low	142 Å²	142	118.8 Å²	118.8	74%	0.743	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-8.6	174.7	-82.1	154.9	0	0	0	113.6	Q9	Q9-L13 PolarHBondContact O-N 2.61Å
14	A	42.7	Very low	45.8	Very low	78 Å²	78	117 Å²	117	65%	0.645	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	1.6	178	0	0	0	0	0	114.4
15	L	45.2	Very low	44.9	Very low	145 Å²	145	125.6 Å²	125.6	76%	0.759	70%	0.704	S	S	*	*	S	Bend	trans	-108.7	9	-177.7	-85.2	161	0	0	0	114.8
16	V	51	Low	44.6	Very low	123 Å²	123	121.5 Å²	121.5	75%	0.745	70%	0.704	S	S	*	*			trans	-121.2	53.1	-178.6	-161.3	0	0	0	0	112
17	T	47.1	Very low	44.7	Very low	131 Å²	131	117.5 Å²	117.5	80%	0.804	69%	0.694	S	S	*	*			trans	-145.1	51.3	157.5	59.9	0	0	0	0	111.3
18	A	42.4	Very low	44.6	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	70%	0.704	S	S	*	*			trans	-105.4	67.1	145.1	0	0	0	0	0	106.2	G20	A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.34Å
19	S	44.4	Very low	45	Very low	107 Å²	107	120 Å²	120	75%	0.748	71%	0.709	S	S	*	*			trans	-49.9	108.6	153.5	28.8	0	0	0	0	104.7	S21	S19-S21 VanDerWaalsContact C-N 3.29Å; S19-S21 PolarHBondContact O-N 3.26Å
20	G	42.5	Very low	45.9	Very low	71 Å²	71	118 Å²	118	73%	0.732	70%	0.697	S	S	*	*			trans	-49.9	105.2	175.1	0	0	0	0	0	106.2	A18 A22	A18-G20 VanDerWaalsContact C-N 3.28Å; A18-G20 PolarHBondContact O-N 3.34Å; G20-A22 PolarHBondContact O-N 2.92Å
21	S	38.7	Very low	47.1	Very low	104 Å²	104	118 Å²	118	73%	0.727	70%	0.702	S	S	*	*			trans	-55.8	98.8	160.3	42.8	0	0	0	0	103.1	S19 Q23	S19-S21 VanDerWaalsContact C-N 3.29Å; S19-S21 PolarHBondContact O-N 3.26Å; S21-Q23 PolarHBondContact O-N 3.28Å
22	A	46.3	Very low	48.9	Very low	94 Å²	94	117.8 Å²	117.8	78%	0.777	70%	0.701	S	S	*	*			trans	-56.4	94.2	161	0	0	0	0	0	103.1	G20 P24	G20-A22 PolarHBondContact O-N 2.92Å; A22-P24 WeakPolarHBondContact O-CD 3.14Å
23	Q	37.9	Very low	51.3	Low	164 Å²	164	112.6 Å²	112.6	77%	0.766	67%	0.674	S	S	*	*			trans	-48.6	123.8	169.3	-87.3	167.9	-62.1	0	0	104	S21 R25	S21-Q23 PolarHBondContact O-N 3.28Å; Q23-R25 PolarHBondContact O-N 3.16Å
24	P	38.7	Very low	53.9	Low	117 Å²	117	109.7 Å²	109.7	76%	0.76	66%	0.659	S	S	*	*			trans	-49.8	123.7	167.2	1.8	-0.3	0	0	0	104.6	A22 S26	A22-P24 WeakPolarHBondContact O-CD 3.14Å; P24-S26 PolarHBondContact O-N 2.75Å
25	R	36.4	Very low	56.5	Low	245 Å²	245	109.7 Å²	109.7	93%	0.925	65%	0.648	S	S	*	*			trans	-59.8	86.9	171.4	-83.7	-178.2	175.3	146	-1.3	105.5	Q23 A27	Q23-R25 PolarHBondContact O-N 3.16Å; R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.92Å
26	S	42	Very low	59	Low	100 Å²	100	103.4 Å²	103.4	70%	0.699	62%	0.616	S	S	*	*			trans	-62.4	105.4	168.5	174.9	0	0	0	0	103.8	P24 R28	P24-S26 PolarHBondContact O-N 2.75Å; S26-R28 VanDerWaalsContact C-N 3.27Å; S26-R28 PolarHBondContact O-N 3.32Å
27	A	50.6	Low	61.3	Low	50 Å²	50	97.9 Å²	97.9	41%	0.413	58%	0.582	S	S	.	*			trans	-54.6	105.3	161.6	0	0	0	0	0	104.2	R25 A29	R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.92Å; A27-A29 PolarHBondContact O-N 3.47Å
28	R	49.7	Very low	63.6	Low	203 Å²	203	92 Å²	92	77%	0.766	55%	0.546	S	S	*	.			trans	-56.4	111.7	179	-176	174.4	-175.7	166.3	0.6	105.7	S26 R30	S26-R28 VanDerWaalsContact C-N 3.27Å; S26-R28 PolarHBondContact O-N 3.32Å; R28-R30 PolarHBondContact O-N 3.36Å
29	A	58.4	Low	66.1	Low	86 Å²	86	92 Å²	92	71%	0.711	53%	0.533	S	S	*	.			trans	-55.8	115.1	179.9	0	0	0	0	0	107.2	A27 T31	A27-A29 PolarHBondContact O-N 3.47Å; A29-T31 PolarHBondContact O-N 3.43Å
30	R	69.1	Low	68.5	Low	65 Å²	65	87.5 Å²	87.5	25%	0.245	50%	0.502	C	S	.	.			trans	-66.9	119.6	175.9	-170.4	-179.6	-118.9	-139.1	-1	106.3	R28 D32 L33 C37 E127	R28-R30 PolarHBondContact O-N 3.36Å; R30-D32 WeakPolarHBondContact CD-O 3.46Å; R30-D32 WeakPolarHBondContact CG-O 3.16Å; R30-L33 HydrophobicContact CB-CD2 3.92Å; R30-L33 HydrophobicContact CG-CD2 4.3Å; R30-L33 WeakPolarHBondContact O-CD2 3.47Å; R30-C37 PolarHBondContact NH1-O 3.28Å; R30-C37 PolarHBondContact NH2-O 3.22Å; R30-E127 IonicContact CZ-OE1 3.35Å; R30-E127 IonicContact CZ-OE2 3.56Å; R30-E127 IonicContact NE-OE1 2.93Å; R30-E127 PolarHBondContact NE-OE1 3.2Å; R30-E127 IonicContact NH2-OE1 2.89Å; R30-E127 PolarHBondContact NH2-OE1 3.02Å; R30-E127 IonicContact NH2-OE2 3.51Å; R30-E127 PolarHBondContact NH2-OE2 3.11Å
31	T	71.4	Confident	71	Confident	119 Å²	119	88.9 Å²	88.9	73%	0.73	49%	0.488	S	S	*	.	S	Bend	trans	-74.2	-33.2	-179.2	43.7	0	0	0	0	111.6	A29	A29-T31 PolarHBondContact O-N 3.43Å
32	D	85.1	Confident	73.8	Confident	112 Å²	112	86.1 Å²	86.1	60%	0.599	46%	0.463	S	S	*	.			trans	-102.3	99.6	-179.4	-57.2	-27.8	0	0	0	110.2	R30 V36	R30-D32 WeakPolarHBondContact CD-O 3.46Å; R30-D32 WeakPolarHBondContact CG-O 3.16Å; D32-V36 HydrophobicContact CB-CG1 4.05Å
33	L	94.3	Very high	76.2	Confident	13 Å²	13	82.9 Å²	82.9	7%	0.068	43%	0.432	C	S	.	.			trans	-100.5	-14.5	-177.5	-60	179.1	0	0	0	113.5	R30 G114 P115 A230 M233	R30-L33 HydrophobicContact CB-CD2 3.92Å; R30-L33 HydrophobicContact CG-CD2 4.3Å; R30-L33 WeakPolarHBondContact O-CD2 3.47Å; L33-G114 VanDerWaalsContact O-CA 3.23Å; L33-G114 WeakPolarHBondContact O-CA 3.09Å; L33-P115 HydrophobicContact CB-CG 4.44Å; L33-P115 WeakPolarHBondContact O-CD 3.05Å; L33-A230 HydrophobicContact CB-CB 3.91Å; L33-A230 HydrophobicContact CD1-CB 4.02Å; L33-M233 HydrophobicContact CD1-CB 4.43Å; L33-M233 HydrophobicContact CD1-CE 4.35Å; L33-M233 HydrophobicContact CD1-SD 4.05Å
34	L	97.5	Very high	79.1	Confident	80 Å²	80	76.9 Å²	76.9	42%	0.419	40%	0.403	S	S	.	.	S	Bend	trans	-109.1	136.8	-174.4	-59.5	-178.5	0	0	0	110.3	A226 K227 A230	L34-A226 VanDerWaalsContact CD2-C 3.45Å; L34-A226 HydrophobicContact CD2-CB 3.9Å; L34-A226 WeakPolarHBondContact CD2-O 3.43Å; L34-K227 HydrophobicContact CD1-CG 3.98Å; L34-K227 HydrophobicContact CD2-CG 4.26Å; L34-A230 HydrophobicContact CD2-CB 3.65Å; L34-A230 HydrophobicContact CG-CB 4.03Å
35	N	98	Very high	81.9	Confident	78 Å²	78	75.7 Å²	75.7	42%	0.417	40%	0.403	S	S	.	.	S	Bend	trans	54.5	57.6	177.4	-169.4	45	0	0	0	112.5	P47 N63 P111	N35-P47 WeakPolarHBondContact O-CG 3.33Å; N35-P47 WeakPolarHBondContact OD1-CB 3.43Å; N35-P47 WeakPolarHBondContact OD1-CG 3.36Å; N35-N63 PolarHBondContact OD1-ND2 3.24Å; N35-P111 WeakPolarHBondContact CA-O 3.19Å; N35-P111 PolarHBondContact N-O 3.43Å
36	V	98	Very high	84.8	Confident	14 Å²	14	69.8 Å²	69.8	9%	0.085	39%	0.386	C	S	.	.			trans	-136.1	150.8	-175.4	-70.9	0	0	0	0	111	D32 P111 I117	D32-V36 HydrophobicContact CB-CG1 4.05Å; V36-P111 PolarHBondContact N-O 3.05Å; V36-P111 VanDerWaalsContact N-O 3.11Å; V36-I117 HydrophobicContact CG2-CD1 4.48Å
37	C	98.4	Very high	87.5	Confident	7 Å²	7	65.9 Å²	65.9	5%	0.047	36%	0.358	C	S	.	.			trans	-96.8	149.9	170.2	-55.9	0	0	0	0	110.9	R30 H43 K44 P47 C65	R30-C37 PolarHBondContact NH1-O 3.28Å; R30-C37 PolarHBondContact NH2-O 3.22Å; C37-H43 HydrophobicContact CB-CB 4.45Å; C37-K44 WeakPolarHBondContact CB-O 3.39Å; C37-P47 VanDerWaalsContact SG-CD 3.55Å; C37-C65 WeakPolarHBondContact CA-SG 3.36Å; C37-C65 HydrophobicContact CB-CB 3.79Å; C37-C65 WeakPolarHBondContact CB-SG 3.31Å; C37-C65 WeakPolarHBondContact SG-CA 3.24Å; C37-C65 WeakPolarHBondContact SG-CB 3.42Å; C37-C65 CovalentContact SG-SG 2.04Å; C37-C65 PolarHBondContact SG-SG 2.88Å
38	M	96.4	Very high	89.8	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.03	35%	0.353	C	S	.	.			trans	-81.6	148	170	74.6	-175.4	83.2	0	0	110.1	A40 H43 Y107 L113 I117 E127 I129	M38-A40 VanDerWaalsContact C-N 3.25Å; M38-A40 HydrophobicContact CG-CB 3.83Å; M38-A40 PolarHBondContact O-N 3.04Å; M38-A40 HydrophobicContact SD-CB 4.07Å; M38-H43 WeakPolarHBondContact O-CB 2.8Å; M38-H43 VanDerWaalsContact O-CG 3.31Å; M38-Y107 HydrophobicContact CE-CD2 4.04Å; M38-Y107 HydrophobicContact CE-CE2 3.91Å; M38-Y107 HydrophobicContact SD-CD2 4.37Å; M38-Y107 HydrophobicContact SD-CE2 3.63Å; M38-L113 HydrophobicContact CE-CD1 4.33Å; M38-I117 HydrophobicContact CB-CD1 3.53Å; M38-I117 HydrophobicContact CB-CG1 3.96Å; M38-I117 HydrophobicContact CB-CG2 4.21Å; M38-E127 HydrophobicContact CB-CB 4.25Å; M38-I129 HydrophobicContact CE-CG2 3.53Å; M38-I129 HydrophobicContact SD-CG2 4.39Å
39	N	95.3	Very high	92.1	Very high	98 Å²	98	60 Å²	60	52%	0.524	34%	0.343	S	S	.	.	S	Bend	trans	-81.6	73.3	171.6	-170.6	-9.7	0	0	0	110.5	K126 E127	N39-K126 HydrophobicContact CB-CB 4.39Å; N39-K126 PolarHBondContact O-N 3.07Å; N39-E127 HydrophobicContact CB-CB 4.45Å; N39-E127 HydrophobicContact CB-CG 4.25Å; N39-E127 WeakPolarHBondContact CB-OE2 3.31Å; N39-E127 PolarHBondContact N-OE2 2.93Å; N39-E127 PolarHBondContact O-N 3.41Å
40	A	94.3	Very high	94	Very high	12 Å²	12	57.7 Å²	57.7	10%	0.099	32%	0.318	C	S	.	.	S	Bend	trans	-112.5	-163.1	170.4	0	0	0	0	0	110.9	M38 H43 R125	M38-A40 VanDerWaalsContact C-N 3.25Å; M38-A40 HydrophobicContact CG-CB 3.83Å; M38-A40 PolarHBondContact O-N 3.04Å; M38-A40 HydrophobicContact SD-CB 4.07Å; A40-H43 WeakPolarHBondContact CB-ND1 3.32Å; A40-R125 HydrophobicContact CB-CB 4.03Å
41	K	94.9	Very high	95.3	Very high	99 Å²	99	60.7 Å²	60.7	43%	0.43	34%	0.339	S	S	.	.	S	Bend	trans	-69.3	-38.8	-161.8	-168.5	177.9	175.2	-171.2	0	113.9	L81 Y82	K41-L81 PolarHBondContact NZ-O 3.4Å; K41-Y82 HydrophobicContact CB-CE1 4.36Å; K41-Y82 HydrophobicContact CD-CD1 4.35Å; K41-Y82 HydrophobicContact CD-CE1 3.86Å
42	H	96.6	Very high	96.6	Very high	46 Å²	46	62 Å²	62	21%	0.213	34%	0.337	C	S	.	.	S	Bend	trans	-127.6	5.7	-168.8	-57.6	-64.5	0	0	0	114	T70 L81 Y82	H42-T70 HydrophobicContact CB-CG2 4.29Å; H42-L81 HydrophobicContact CB-CD2 4.45Å; H42-L81 WeakPolarHBondContact NE2-CA 3.47Å; H42-L81 PolarHBondContact NE2-O 2.77Å; H42-Y82 AromaticContact CD2-CE2 3.9Å; H42-Y82 AromaticContact CD2-CZ 3.67Å
43	H	98.3	Very high	97.2	Very high	26 Å²	26	56.9 Å²	56.9	12%	0.12	31%	0.309	C	S	.	.			trans	-72.1	143.7	176.3	-66.1	72.3	0	0	0	111.3	C37 M38 A40 Y107 E108	C37-H43 HydrophobicContact CB-CB 4.45Å; M38-H43 WeakPolarHBondContact O-CB 2.8Å; M38-H43 VanDerWaalsContact O-CG 3.31Å; A40-H43 WeakPolarHBondContact CB-ND1 3.32Å; H43-Y107 AromaticContact CE1-CE1 3.74Å; H43-Y107 PolarHBondContact NE2-O 2.86Å; H43-E108 PolarHBondContact CD2-O 3.48Å; H43-E108 IonicContact CE1-OE2 3.67Å; H43-E108 PolarHBondContact CE1-OE2 3.32Å; H43-E108 IonicContact ND1-OE2 2.66Å; H43-E108 PolarHBondContact ND1-OE2 3.4Å; H43-E108 PolarHBondContact NE2-O 3.25Å; H43-E108 IonicContact NE2-OE2 2.73Å
44	K	98.5	Very high	97.4	Very high	38 Å²	38	62.4 Å²	62.4	17%	0.165	33%	0.33	C	S	.	.			trans	-65.8	161.7	162.9	-64.9	-174.8	-62.8	-172.3	0	110.4	C37 Q46 S48 E50 A64 C65 C66 T67	C37-K44 WeakPolarHBondContact CB-O 3.39Å; K44-Q46 VanDerWaalsContact C-N 3.32Å; K44-Q46 PolarHBondContact O-N 2.92Å; K44-S48 PolarHBondContact NZ-O 3.48Å; K44-S48 PolarHBondContact NZ-OG 3.22Å; K44-E50 VanDerWaalsContact NZ-CG 3.34Å; K44-E50 IonicContact NZ-OE1 3.51Å; K44-E50 PolarHBondContact NZ-OE1 3.45Å; K44-A64 WeakPolarHBondContact CE-O 3.3Å; K44-A64 PolarHBondContact NZ-O 2.75Å; K44-C65 PolarHBondContact N-O 3.08Å; K44-C66 VanDerWaalsContact CE-O 3.28Å; K44-C66 WeakPolarHBondContact CE-O 3.34Å; K44-C66 PolarHBondContact NZ-O 3.38Å; K44-T67 HydrophobicContact CD-CG2 4.2Å; K44-T67 HydrophobicContact CG-CG2 4.05Å
45	A	97.2	Very high	97.4	Very high	92 Å²	92	60.6 Å²	60.6	76%	0.76	33%	0.331	S	S	*	.	S	Bend	trans	-66.6	-35.2	175.3	0	0	0	0	0	112.6
46	Q	97.7	Very high	97.4	Very high	121 Å²	121	59 Å²	59	57%	0.565	32%	0.321	S	S	*	.	S	Bend	trans	-142.7	154.6	179.8	-65.9	-63.2	-4.7	0	0	111	K44	K44-Q46 VanDerWaalsContact C-N 3.32Å; K44-Q46 PolarHBondContact O-N 2.92Å
47	P	98.5	Very high	97.5	Very high	18 Å²	18	58.4 Å²	58.4	12%	0.117	32%	0.317	C	S	.	.			trans	-63.7	144	174	-21.6	34.4	0	0	0	112	N35 C37 N63 A64 P111	N35-P47 WeakPolarHBondContact O-CG 3.33Å; N35-P47 WeakPolarHBondContact OD1-CB 3.43Å; N35-P47 WeakPolarHBondContact OD1-CG 3.36Å; C37-P47 VanDerWaalsContact SG-CD 3.55Å; P47-N63 WeakPolarHBondContact CB-OD1 3.36Å; P47-A64 WeakPolarHBondContact CA-O 3.48Å; P47-P111 HydrophobicContact CB-CB 3.74Å; P47-P111 HydrophobicContact CG-CB 3.48Å; P47-P111 VanDerWaalsContact CG-CB 3.48Å
48	S	98.6	Very high	97.5	Very high	44 Å²	44	60.2 Å²	60.2	31%	0.308	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-154.9	163.1	169.9	73.9	0	0	0	0	110.6	K44 N63 A64	K44-S48 PolarHBondContact NZ-O 3.48Å; K44-S48 PolarHBondContact NZ-OG 3.22Å; S48-N63 PolarHBondContact N-OD1 2.93Å; S48-A64 PolarHBondContact N-O 3.49Å; S48-A64 VanDerWaalsContact N-O 3.1Å; S48-A64 PolarHBondContact O-N 3.47Å
49	P	98.5	Very high	97.6	Very high	85 Å²	85	61 Å²	61	55%	0.552	34%	0.336	S	S	*	.			trans	-57.4	146	169.5	-22.1	33	0	0	0	112.2	K61	P49-K61 CarbonylContact C-O 3.43Å; P49-K61 WeakPolarHBondContact CA-O 3.27Å
50	E	98.4	Very high	97.7	Very high	38 Å²	38	56.5 Å²	56.5	18%	0.178	31%	0.311	C	S	.	.			trans	-145.7	85.3	179.4	-69.6	-77.8	163.3	0	0	108.6	K44 E52 L53 K61 A64 C66 A68	K44-E50 VanDerWaalsContact NZ-CG 3.34Å; K44-E50 IonicContact NZ-OE1 3.51Å; K44-E50 PolarHBondContact NZ-OE1 3.45Å; E50-E52 PolarHBondContact O-N 3.29Å; E50-E52 VanDerWaalsContact O-N 3.11Å; E50-L53 HydrophobicContact CB-CD1 4.21Å; E50-L53 HydrophobicContact CB-CD2 3.66Å; E50-L53 HydrophobicContact CB-CG 3.66Å; E50-L53 HydrophobicContact CG-CD2 4.21Å; E50-L53 WeakPolarHBondContact O-CG 3.28Å; E50-L53 PolarHBondContact O-N 3.06Å; E50-K61 PolarHBondContact N-O 3.36Å; E50-K61 WeakPolarHBondContact O-CA 3.07Å; E50-K61 WeakPolarHBondContact O-CB 3.42Å; E50-K61 VanDerWaalsContact O-CG 3.28Å; E50-K61 WeakPolarHBondContact O-CG 3.2Å; E50-A64 HydrophobicContact CB-CB 4.49Å; E50-A64 HydrophobicContact CG-CB 4.22Å; E50-C66 WeakPolarHBondContact CG-O 3.07Å; E50-A68 PolarHBondContact OE2-N 3.37Å
51	D	96.3	Very high	97.9	Very high	128 Å²	128	59.5 Å²	59.5	68%	0.684	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	-172	-66.3	-38.9	0	0	0	114.1	K61	D51-K61 WeakPolarHBondContact O-CD 3.33Å; D51-K61 WeakPolarHBondContact O-CE 3.26Å; D51-K61 PolarHBondContact O-NZ 3.41Å
52	E	97.9	Very high	98	Very high	148 Å²	148	62.6 Å²	62.6	69%	0.692	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	15.9	-175.4	-59.3	-169.5	151.5	0	0	114	E50 Y54 A68	E50-E52 PolarHBondContact O-N 3.29Å; E50-E52 VanDerWaalsContact O-N 3.11Å; E52-Y54 PolarHBondContact O-N 2.73Å; E52-A68 HydrophobicContact CB-CB 3.88Å
53	L	98.4	Very high	98.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	34%	0.336	C	S	.	.			trans	-59	129.8	173.1	-62.5	-173.1	0	0	0	111.2	E50 C57 W60 K61 A64 C66	E50-L53 HydrophobicContact CB-CD1 4.21Å; E50-L53 HydrophobicContact CB-CD2 3.66Å; E50-L53 HydrophobicContact CB-CG 3.66Å; E50-L53 HydrophobicContact CG-CD2 4.21Å; E50-L53 WeakPolarHBondContact O-CG 3.28Å; E50-L53 PolarHBondContact O-N 3.06Å; L53-C57 HydrophobicContact CB-CB 4.36Å; L53-C57 VanDerWaalsContact CD1-O 3.28Å; L53-C57 WeakPolarHBondContact CD1-O 3.34Å; L53-W60 HydrophobicContact CD1-CB 3.87Å; L53-K61 HydrophobicContact CB-CG 3.87Å; L53-K61 HydrophobicContact CD1-CG 4.44Å; L53-K61 HydrophobicContact CG-CG 4.24Å; L53-K61 WeakPolarHBondContact O-CE 3.39Å; L53-A64 HydrophobicContact CD1-CB 3.81Å; L53-C66 VanDerWaalsContact CD2-SG 3.6Å
54	Y	98.1	Very high	98.2	Very high	128 Å²	128	61.1 Å²	61.1	50%	0.502	33%	0.33	S	S	.	.			trans	-88.8	141.7	-170.5	-178.3	-99.9	0	0	0	112.7	E52 Q56 C57 S71 Q72 H75	E52-Y54 PolarHBondContact O-N 2.73Å; Y54-Q56 PolarHBondContact O-N 3.41Å; Y54-C57 PolarHBondContact O-N 2.97Å; Y54-S71 PolarHBondContact N-OG 2.86Å; Y54-Q72 HydrophobicContact CD2-CG 4.38Å; Y54-Q72 HydrophobicContact CG-CG 3.97Å; Y54-H75 HydrophobicContact CD1-CB 3.94Å; Y54-H75 AromaticContact CD1-CD2 3.97Å; Y54-H75 AromaticContact CD1-CG 3.6Å; Y54-H75 AromaticContact CD1-ND1 3.63Å; Y54-H75 HydrophobicContact CE1-CB 3.71Å; Y54-H75 AromaticContact CE1-CD2 3.9Å; Y54-H75 AromaticContact CE1-CG 3.7Å; Y54-H75 PolarHBondContact O-CE1 3.5Å; Y54-H75 VanDerWaalsContact O-CE1 3.23Å
55	G	97.7	Very high	98.2	Very high	42 Å²	42	59.3 Å²	59.3	43%	0.433	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	52.5	-123	168.8	0	0	0	0	0	113.9	C57 S58	G55-C57 PolarHBondContact O-N 3.32Å; G55-S58 VanDerWaalsContact O-CB 3.29Å; G55-S58 WeakPolarHBondContact O-CB 3.45Å; G55-S58 PolarHBondContact O-N 3.21Å; G55-S58 VanDerWaalsContact O-N 3.14Å; G55-S58 PolarHBondContact O-OG 3.14Å
56	Q	98.5	Very high	98.2	Very high	46 Å²	46	55 Å²	55	22%	0.215	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-64.1	-19.5	-177.7	-73.5	-177.7	56.3	0	0	113.8	Y54 S58 P59 H75 R98 I101 Q102	Y54-Q56 PolarHBondContact O-N 3.41Å; Q56-S58 VanDerWaalsContact C-N 3.33Å; Q56-P59 WeakPolarHBondContact O-CD 3.46Å; Q56-H75 WeakPolarHBondContact CB-NE2 3.47Å; Q56-H75 PolarHBondContact N-NE2 3.33Å; Q56-R98 PolarHBondContact OE1-O 3.49Å; Q56-I101 HydrophobicContact CB-CG2 4Å; Q56-I101 HydrophobicContact CG-CG2 4.33Å; Q56-Q102 VanDerWaalsContact CB-OE1 3.29Å; Q56-Q102 PolarHBondContact O-OE1 3.18Å
57	C	98.7	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-86.1	-4.3	177.7	-57.6	0	0	0	0	113	L53 Y54 G55 P59 W60 C105	L53-C57 HydrophobicContact CB-CB 4.36Å; L53-C57 VanDerWaalsContact CD1-O 3.28Å; L53-C57 WeakPolarHBondContact CD1-O 3.34Å; Y54-C57 PolarHBondContact O-N 2.97Å; G55-C57 PolarHBondContact O-N 3.32Å; C57-P59 VanDerWaalsContact C-N 3.29Å; C57-W60 PolarHBondContact O-N 3.42Å; C57-C105 WeakPolarHBondContact CA-SG 3.23Å; C57-C105 HydrophobicContact CB-CB 3.87Å; C57-C105 WeakPolarHBondContact CB-SG 3.41Å; C57-C105 PolarHBondContact N-SG 3.39Å; C57-C105 WeakPolarHBondContact SG-CB 3.41Å; C57-C105 CovalentContact SG-SG 2.04Å; C57-C105 PolarHBondContact SG-SG 2.89Å
58	S	98.3	Very high	98.3	Very high	46 Å²	46	51.2 Å²	51.2	32%	0.322	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.7	-23.8	178.8	61.4	0	0	0	0	116.3	G55 Q56 W60 K61	G55-S58 VanDerWaalsContact O-CB 3.29Å; G55-S58 WeakPolarHBondContact O-CB 3.45Å; G55-S58 PolarHBondContact O-N 3.21Å; G55-S58 VanDerWaalsContact O-N 3.14Å; G55-S58 PolarHBondContact O-OG 3.14Å; Q56-S58 VanDerWaalsContact C-N 3.33Å; S58-W60 PolarHBondContact O-N 3.33Å; S58-W60 VanDerWaalsContact O-N 3.14Å; S58-K61 WeakPolarHBondContact O-CG 3.2Å; S58-K61 PolarHBondContact O-N 2.92Å
59	P	98.5	Very high	98.2	Very high	23 Å²	23	53.7 Å²	53.7	15%	0.149	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.8	175.6	-27.3	37.9	0	0	0	114.8	Q56 C57 F214	Q56-P59 WeakPolarHBondContact O-CD 3.46Å; C57-P59 VanDerWaalsContact C-N 3.29Å; P59-F214 HydrophobicContact CB-CD2 4.18Å; P59-F214 HydrophobicContact CB-CE1 4.25Å; P59-F214 HydrophobicContact CB-CE2 3.51Å; P59-F214 HydrophobicContact CB-CZ 3.55Å
60	W	98.7	Very high	98.2	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.011	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-93.1	1.5	-178.8	-67.4	-88.6	0	0	0	114.6	L53 C57 S58 K62 N63 A64 C105 L106 C109 F214	L53-W60 HydrophobicContact CD1-CB 3.87Å; C57-W60 PolarHBondContact O-N 3.42Å; S58-W60 PolarHBondContact O-N 3.33Å; S58-W60 VanDerWaalsContact O-N 3.14Å; W60-K62 PolarHBondContact O-N 2.04Å; W60-N63 CarbonylContact O-C 3.32Å; W60-N63 PolarHBondContact O-N 3.47Å; W60-A64 HydrophobicContact CB-CB 4.03Å; W60-A64 WeakPolarHBondContact O-CB 3.04Å; W60-C105 HydrophobicContact CE3-CB 4.11Å; W60-C105 HydrophobicContact CH2-CB 3.91Å; W60-C105 HydrophobicContact CZ3-CB 3.46Å; W60-C105 VanDerWaalsContact CZ3-CB 3.46Å; W60-L106 HydrophobicContact CH2-CB 4.25Å; W60-L106 HydrophobicContact CZ2-CB 3.97Å; W60-L106 HydrophobicContact CZ2-CD1 3.93Å; W60-C109 HydrophobicContact CB-CB 3.92Å; W60-C109 HydrophobicContact CD2-CB 4.08Å; W60-C109 HydrophobicContact CE3-CB 4.49Å; W60-C109 HydrophobicContact CG-CB 3.82Å; W60-F214 HydrophobicContact CD2-CE1 4.49Å; W60-F214 HydrophobicContact CD2-CZ 4.18Å; W60-F214 AromaticContact CE2-CE1 3.77Å; W60-F214 AromaticContact CE2-CZ 3.82Å; W60-F214 HydrophobicContact CH2-CE1 4.12Å; W60-F214 AromaticContact CZ2-CE1 3.58Å; W60-F214 HydrophobicContact CZ2-CE1 3.58Å; W60-F214 HydrophobicContact CZ2-CZ 4.1Å; W60-F214 AromaticContact NE1-CZ 3.92Å
61	K	98.1	Very high	98.2	Very high	75 Å²	75	48.1 Å²	48.1	33%	0.326	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-37.7	-173	-74.4	178.5	175	-153.6	0	114.9	P49 E50 D51 L53 S58 N63	P49-K61 CarbonylContact C-O 3.43Å; P49-K61 WeakPolarHBondContact CA-O 3.27Å; E50-K61 PolarHBondContact N-O 3.36Å; E50-K61 WeakPolarHBondContact O-CA 3.07Å; E50-K61 WeakPolarHBondContact O-CB 3.42Å; E50-K61 VanDerWaalsContact O-CG 3.28Å; E50-K61 WeakPolarHBondContact O-CG 3.2Å; D51-K61 WeakPolarHBondContact O-CD 3.33Å; D51-K61 WeakPolarHBondContact O-CE 3.26Å; D51-K61 PolarHBondContact O-NZ 3.41Å; L53-K61 HydrophobicContact CB-CG 3.87Å; L53-K61 HydrophobicContact CD1-CG 4.44Å; L53-K61 HydrophobicContact CG-CG 4.24Å; L53-K61 WeakPolarHBondContact O-CE 3.39Å; S58-K61 WeakPolarHBondContact O-CG 3.2Å; S58-K61 PolarHBondContact O-N 2.92Å; K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 3.34Å
62	K	97.8	Very high	98.3	Very high	164 Å²	164	45.9 Å²	45.9	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.7	-179.1	-70.3	-178.5	178	171.7	0	112.9	W60	W60-K62 PolarHBondContact O-N 2.04Å
63	N	98.4	Very high	98.2	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.219	21%	0.207	C	C	.	.	S	Bend	trans	-165.2	106.5	-177.8	-167.5	25.9	0	0	0	110.6	N35 P47 S48 W60 K61	N35-N63 PolarHBondContact OD1-ND2 3.24Å; P47-N63 WeakPolarHBondContact CB-OD1 3.36Å; S48-N63 PolarHBondContact N-OD1 2.93Å; W60-N63 CarbonylContact O-C 3.32Å; W60-N63 PolarHBondContact O-N 3.47Å; K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 3.34Å
64	A	98.7	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-135.9	153.8	-173.2	0	0	0	0	0	113.4	K44 P47 S48 E50 L53 W60 C109	K44-A64 WeakPolarHBondContact CE-O 3.3Å; K44-A64 PolarHBondContact NZ-O 2.75Å; P47-A64 WeakPolarHBondContact CA-O 3.48Å; S48-A64 PolarHBondContact N-O 3.49Å; S48-A64 VanDerWaalsContact N-O 3.1Å; S48-A64 PolarHBondContact O-N 3.47Å; E50-A64 HydrophobicContact CB-CB 4.49Å; E50-A64 HydrophobicContact CG-CB 4.22Å; L53-A64 HydrophobicContact CD1-CB 3.81Å; W60-A64 HydrophobicContact CB-CB 4.03Å; W60-A64 WeakPolarHBondContact O-CB 3.04Å; A64-C109 CarbonylContact C-O 3.56Å; A64-C109 VanDerWaalsContact CA-O 3.31Å; A64-C109 WeakPolarHBondContact CA-O 2.99Å; A64-C109 HydrophobicContact CB-CB 4.29Å
65	C	98.9	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-94.1	-10.6	171.3	-74	0	0	0	0	114.6	C37 K44 E108 C109	C37-C65 WeakPolarHBondContact CA-SG 3.36Å; C37-C65 HydrophobicContact CB-CB 3.79Å; C37-C65 WeakPolarHBondContact CB-SG 3.31Å; C37-C65 WeakPolarHBondContact SG-CA 3.24Å; C37-C65 WeakPolarHBondContact SG-CB 3.42Å; C37-C65 CovalentContact SG-SG 2.04Å; C37-C65 PolarHBondContact SG-SG 2.88Å; K44-C65 PolarHBondContact N-O 3.08Å; C65-E108 CarbonylContact C-O 3.52Å; C65-E108 VanDerWaalsContact C-O 3.28Å; C65-E108 WeakPolarHBondContact CB-O 3.41Å; C65-C109 PolarHBondContact N-O 2.86Å
66	C	98.7	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-97	170.5	176.3	67.2	0	0	0	0	110.5	K44 E50 L53 T70 E108 C109	K44-C66 VanDerWaalsContact CE-O 3.28Å; K44-C66 WeakPolarHBondContact CE-O 3.34Å; K44-C66 PolarHBondContact NZ-O 3.38Å; E50-C66 WeakPolarHBondContact CG-O 3.07Å; L53-C66 VanDerWaalsContact CD2-SG 3.6Å; C66-T70 HydrophobicContact CB-CG2 4.13Å; C66-E108 HydrophobicContact CB-CB 3.98Å; C66-E108 WeakPolarHBondContact CB-O 3.28Å; C66-E108 PolarHBondContact N-O 3.02Å; C66-C109 HydrophobicContact CB-CB 3.91Å; C66-C109 WeakPolarHBondContact CB-SG 3.4Å; C66-C109 WeakPolarHBondContact SG-CB 3.26Å; C66-C109 CovalentContact SG-SG 2.04Å; C66-C109 PolarHBondContact SG-SG 3.37Å
67	T	98.6	Very high	96.9	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.288	21%	0.205	S	C	.	.			trans	-104.5	164.1	171.4	65.9	0	0	0	0	110.6	K44 N69 T70 S71	K44-T67 HydrophobicContact CD-CG2 4.2Å; K44-T67 HydrophobicContact CG-CG2 4.05Å; T67-N69 VanDerWaalsContact C-N 3.25Å; T67-N69 PolarHBondContact O-N 3.39Å; T67-N69 PolarHBondContact OG1-N 3Å; T67-T70 WeakPolarHBondContact O-CB 3.3Å; T67-T70 PolarHBondContact O-N 3.07Å; T67-T70 VanDerWaalsContact O-N 3.15Å; T67-T70 PolarHBondContact OG1-N 3.48Å; T67-T70 VanDerWaalsContact OG1-N 3.12Å; T67-T70 PolarHBondContact OG1-OG1 3Å; T67-S71 PolarHBondContact O-N 3.39Å
68	A	98.1	Very high	95.7	Very high	14 Å²	14	46.2 Å²	46.2	12%	0.116	24%	0.239	C	C	.	.	H	α-helix	trans	-50.5	-44.5	168.9	0	0	0	0	0	112.6	E50 E52 T70 S71 Q72	E50-A68 PolarHBondContact OE2-N 3.37Å; E52-A68 HydrophobicContact CB-CB 3.88Å; A68-T70 PolarHBondContact O-N 2.68Å; A68-S71 PolarHBondContact O-N 2.95Å; A68-S71 PolarHBondContact O-OG 2.81Å; A68-Q72 WeakPolarHBondContact O-CG 3.08Å; A68-Q72 PolarHBondContact O-N 3.36Å
69	N	97.8	Very high	95	Very high	95 Å²	95	44.5 Å²	44.5	51%	0.508	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-45.5	177.6	-180	61.8	0	0	0	112.3	T67 S71 Q72 E73	T67-N69 VanDerWaalsContact C-N 3.25Å; T67-N69 PolarHBondContact O-N 3.39Å; T67-N69 PolarHBondContact OG1-N 3Å; N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 2.73Å; N69-Q72 PolarHBondContact O-N 2.95Å; N69-E73 WeakPolarHBondContact O-CG 3.28Å; N69-E73 PolarHBondContact O-N 3.39Å
70	T	98.1	Very high	94.2	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-48.6	174.9	-53.8	0	0	0	0	110.1	H42 C66 T67 A68 Q72 E73 L74 L81 E108	H42-T70 HydrophobicContact CB-CG2 4.29Å; C66-T70 HydrophobicContact CB-CG2 4.13Å; T67-T70 WeakPolarHBondContact O-CB 3.3Å; T67-T70 PolarHBondContact O-N 3.07Å; T67-T70 VanDerWaalsContact O-N 3.15Å; T67-T70 PolarHBondContact OG1-N 3.48Å; T67-T70 VanDerWaalsContact OG1-N 3.12Å; T67-T70 PolarHBondContact OG1-OG1 3Å; A68-T70 PolarHBondContact O-N 2.68Å; T70-Q72 VanDerWaalsContact C-N 3.32Å; T70-Q72 PolarHBondContact O-N 3.33Å; T70-E73 PolarHBondContact O-N 2.84Å; T70-L74 HydrophobicContact CG2-CD1 4.42Å; T70-L74 VanDerWaalsContact O-CG 3.32Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 3.35Å; T70-L81 HydrophobicContact CG2-CD1 3.88Å; T70-L81 HydrophobicContact CG2-CD2 4.4Å; T70-E108 HydrophobicContact CG2-CB 4.09Å; T70-E108 HydrophobicContact CG2-CG 4.06Å
71	S	98.2	Very high	93.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-37.1	-179	73.8	0	0	0	0	113.6	Y54 T67 A68 N69 H75	Y54-S71 PolarHBondContact N-OG 2.86Å; T67-S71 PolarHBondContact O-N 3.39Å; A68-S71 PolarHBondContact O-N 2.95Å; A68-S71 PolarHBondContact O-OG 2.81Å; N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 2.73Å; S71-H75 PolarHBondContact O-ND1 3.14Å
72	Q	97.5	Very high	93.1	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-69	-44.5	176.1	-69.4	175.1	26.1	0	0	111.6	Y54 A68 N69 T70 L74 H75	Y54-Q72 HydrophobicContact CD2-CG 4.38Å; Y54-Q72 HydrophobicContact CG-CG 3.97Å; A68-Q72 WeakPolarHBondContact O-CG 3.08Å; A68-Q72 PolarHBondContact O-N 3.36Å; N69-Q72 PolarHBondContact O-N 2.95Å; T70-Q72 VanDerWaalsContact C-N 3.32Å; T70-Q72 PolarHBondContact O-N 3.33Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.94Å; Q72-H75 PolarHBondContact O-N 3.28Å
73	E	97.1	Very high	92.7	Very high	21 Å²	21	48.6 Å²	48.6	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-33.7	178.8	-75.8	-65.3	130.8	0	0	112.7	N69 T70 H75 K76 S79 R80 L81	N69-E73 WeakPolarHBondContact O-CG 3.28Å; N69-E73 PolarHBondContact O-N 3.39Å; T70-E73 PolarHBondContact O-N 2.84Å; E73-H75 PolarHBondContact O-N 3.25Å; E73-K76 PolarHBondContact O-N 2.74Å; E73-K76 WeakPolarHBondContact OE1-CD 3.48Å; E73-K76 WeakPolarHBondContact OE1-CE 3.29Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.14Å; E73-S79 WeakPolarHBondContact O-CB 3.1Å; E73-S79 PolarHBondContact O-OG 2.9Å; E73-R80 PolarHBondContact OE2-N 2.99Å; E73-L81 HydrophobicContact CB-CD1 3.61Å; E73-L81 HydrophobicContact CB-CD2 4.2Å; E73-L81 HydrophobicContact CB-CG 3.62Å; E73-L81 HydrophobicContact CG-CG 4.34Å
74	L	96.1	Very high	92.5	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-23.3	176.8	-73.1	177	0	0	0	113.6	T70 Q72 L81 A104 E108	T70-L74 HydrophobicContact CG2-CD1 4.42Å; T70-L74 VanDerWaalsContact O-CG 3.32Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 3.35Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.94Å; L74-L81 HydrophobicContact CD2-CD1 3.58Å; L74-L81 HydrophobicContact CG-CD1 3.74Å; L74-A104 HydrophobicContact CD1-CB 4.04Å; L74-A104 HydrophobicContact CD2-CB 3.52Å; L74-A104 HydrophobicContact CG-CB 4.28Å; L74-E108 HydrophobicContact CD1-CB 4.23Å; L74-E108 HydrophobicContact CD1-CG 3.97Å; L74-E108 HydrophobicContact CD2-CG 4.38Å
75	H	95.9	Very high	92.3	Very high	40 Å²	40	49.2 Å²	49.2	19%	0.185	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.2	179.9	-68.8	73.9	0	0	0	113.4	Y54 Q56 S71 Q72 E73	Y54-H75 HydrophobicContact CD1-CB 3.94Å; Y54-H75 AromaticContact CD1-CD2 3.97Å; Y54-H75 AromaticContact CD1-CG 3.6Å; Y54-H75 AromaticContact CD1-ND1 3.63Å; Y54-H75 HydrophobicContact CE1-CB 3.71Å; Y54-H75 AromaticContact CE1-CD2 3.9Å; Y54-H75 AromaticContact CE1-CG 3.7Å; Y54-H75 PolarHBondContact O-CE1 3.5Å; Y54-H75 VanDerWaalsContact O-CE1 3.23Å; Q56-H75 WeakPolarHBondContact CB-NE2 3.47Å; Q56-H75 PolarHBondContact N-NE2 3.33Å; S71-H75 PolarHBondContact O-ND1 3.14Å; Q72-H75 PolarHBondContact O-N 3.28Å; E73-H75 PolarHBondContact O-N 3.25Å
76	K	92.6	Very high	92.1	Very high	94 Å²	94	50.5 Å²	50.5	41%	0.409	25%	0.247	S	C	.	.	S	Bend	trans	-87.6	136.1	178.4	-63.8	179.1	-173.6	175.8	0	110.2	E73 T78 S79	E73-K76 PolarHBondContact O-N 2.74Å; E73-K76 WeakPolarHBondContact OE1-CD 3.48Å; E73-K76 WeakPolarHBondContact OE1-CE 3.29Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.14Å; K76-T78 PolarHBondContact O-N 3.27Å; K76-S79 PolarHBondContact O-N 2.77Å
77	D	80	Confident	92	Very high	92 Å²	92	52.5 Å²	52.5	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-34.1	177.4	-68.1	-19.6	0	0	0	112.6	K97	D77-K97 VanDerWaalsContact CG-NZ 3.34Å; D77-K97 WeakPolarHBondContact OD1-CE 3.37Å; D77-K97 IonicContact OD1-NZ 3.71Å; D77-K97 PolarHBondContact OD1-NZ 2.97Å
78	T	74.8	Confident	91.9	Very high	116 Å²	116	51.2 Å²	51.2	71%	0.712	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	53.1	176.5	50.4	0	0	0	0	111.1	K76 R80	K76-T78 PolarHBondContact O-N 3.27Å; T78-R80 PolarHBondContact O-N 2.83Å
79	S	82.9	Confident	91.9	Very high	11 Å²	11	51.7 Å²	51.7	8%	0.077	25%	0.251	C	S	.	.			trans	-52.4	129.6	177.5	-173.6	0	0	0	0	112.4	E73 K76 L81 N83	E73-S79 WeakPolarHBondContact O-CB 3.1Å; E73-S79 PolarHBondContact O-OG 2.9Å; K76-S79 PolarHBondContact O-N 2.77Å; S79-L81 PolarHBondContact O-N 2.95Å; S79-L81 PolarHBondContact OG-N 3.35Å; S79-N83 VanDerWaalsContact O-CA 3.28Å; S79-N83 WeakPolarHBondContact O-CA 3.36Å; S79-N83 PolarHBondContact O-N 3.39Å
80	R	82.3	Confident	91.7	Very high	205 Å²	205	49.4 Å²	49.4	77%	0.774	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.1	176.9	-64.4	-176.3	177.3	-172.4	-0.1	113.3	E73 T78	E73-R80 PolarHBondContact OE2-N 2.99Å; T78-R80 PolarHBondContact O-N 2.83Å
81	L	85.7	Confident	91.6	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-44.7	-179.4	-66.6	173.2	0	0	0	111.3	K41 H42 T70 E73 L74 S79	K41-L81 PolarHBondContact NZ-O 3.4Å; H42-L81 HydrophobicContact CB-CD2 4.45Å; H42-L81 WeakPolarHBondContact NE2-CA 3.47Å; H42-L81 PolarHBondContact NE2-O 2.77Å; T70-L81 HydrophobicContact CG2-CD1 3.88Å; T70-L81 HydrophobicContact CG2-CD2 4.4Å; E73-L81 HydrophobicContact CB-CD1 3.61Å; E73-L81 HydrophobicContact CB-CD2 4.2Å; E73-L81 HydrophobicContact CB-CG 3.62Å; E73-L81 HydrophobicContact CG-CG 4.34Å; L74-L81 HydrophobicContact CD2-CD1 3.58Å; L74-L81 HydrophobicContact CG-CD1 3.74Å; S79-L81 PolarHBondContact O-N 2.95Å; S79-L81 PolarHBondContact OG-N 3.35Å
82	Y	86.4	Confident	91.5	Very high	61 Å²	61	58.2 Å²	58.2	24%	0.239	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-3.9	-176.9	-64.4	-71.5	0	0	0	113.7	K41 H42 F84 E108 W124	K41-Y82 HydrophobicContact CB-CE1 4.36Å; K41-Y82 HydrophobicContact CD-CD1 4.35Å; K41-Y82 HydrophobicContact CD-CE1 3.86Å; H42-Y82 AromaticContact CD2-CE2 3.9Å; H42-Y82 AromaticContact CD2-CZ 3.67Å; Y82-F84 PolarHBondContact O-N 3.11Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.14Å; Y82-E108 PolarHBondContact OH-OE1 3.32Å; Y82-W124 HydrophobicContact CE1-CZ3 4.2Å
83	N	90.9	Very high	91.4	Very high	76 Å²	76	59.2 Å²	59.2	41%	0.406	29%	0.293	S	S	.	.			trans	50.9	36.3	-170.7	-59.6	-26.4	0	0	0	111.6	S79 W162 G165 I166	S79-N83 VanDerWaalsContact O-CA 3.28Å; S79-N83 WeakPolarHBondContact O-CA 3.36Å; S79-N83 PolarHBondContact O-N 3.39Å; N83-W162 HydrophobicContact CB-CZ3 4.49Å; N83-G165 WeakPolarHBondContact CB-O 3.33Å; N83-I166 HydrophobicContact CB-CG2 4.37Å; N83-I166 WeakPolarHBondContact O-CA 3.22Å
84	F	93	Very high	91.4	Very high	20 Å²	20	62.4 Å²	62.4	9%	0.088	32%	0.315	C	S	.	.			trans	-90.3	121.7	-173.5	-160	-83.2	0	0	0	110.7	Y82 W86 W156 W160 W162 N167 W193	Y82-F84 PolarHBondContact O-N 3.11Å; F84-W86 AromaticContact CD1-CD2 3.93Å; F84-W86 HydrophobicContact CD1-CD2 3.93Å; F84-W86 AromaticContact CD1-CE3 3.57Å; F84-W86 HydrophobicContact CD1-CE3 3.57Å; F84-W86 AromaticContact CD1-CH2 3.88Å; F84-W86 HydrophobicContact CD1-CH2 3.88Å; F84-W86 HydrophobicContact CD1-CZ2 4.22Å; F84-W86 AromaticContact CD1-CZ3 3.53Å; F84-W86 HydrophobicContact CD1-CZ3 3.53Å; F84-W86 HydrophobicContact CE1-CD2 4.31Å; F84-W86 AromaticContact CE1-CE3 3.53Å; F84-W86 HydrophobicContact CE1-CE3 3.53Å; F84-W86 HydrophobicContact CE1-CH2 4.22Å; F84-W86 AromaticContact CE1-CZ3 3.46Å; F84-W86 HydrophobicContact CE1-CZ3 3.46Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.46Å; F84-W86 HydrophobicContact CZ-CZ3 4.43Å; F84-W156 AromaticContact CE1-CE3 3.58Å; F84-W156 HydrophobicContact CE1-CE3 3.58Å; F84-W156 AromaticContact CE1-CZ3 3.79Å; F84-W156 HydrophobicContact CE1-CZ3 3.79Å; F84-W156 HydrophobicContact CZ-CB 4.24Å; F84-W156 AromaticContact CZ-CD2 4Å; F84-W156 HydrophobicContact CZ-CD2 4Å; F84-W156 AromaticContact CZ-CE3 3.42Å; F84-W156 HydrophobicContact CZ-CE3 3.42Å; F84-W156 VanDerWaalsContact CZ-CE3 3.42Å; F84-W156 HydrophobicContact CZ-CG 4.38Å; F84-W156 HydrophobicContact CZ-CZ3 4.1Å; F84-W160 HydrophobicContact CE2-CZ2 4.22Å; F84-W160 AromaticContact CE2-NE1 3.72Å; F84-W160 HydrophobicContact CZ-CH2 4.49Å; F84-W160 AromaticContact CZ-CZ2 3.7Å; F84-W160 HydrophobicContact CZ-CZ2 3.7Å; F84-W162 HydrophobicContact CD2-CH2 4.33Å; F84-N167 WeakPolarHBondContact CA-OD1 3.48Å; F84-W193 HydrophobicContact CE2-CH2 4.27Å; F84-W193 HydrophobicContact CZ-CH2 4.18Å
85	N	94.8	Very high	91.5	Very high	33 Å²	33	63.9 Å²	63.9	18%	0.176	33%	0.33	C	S	.	.			trans	-91.2	109.7	175.7	-179	19.5	0	0	0	110.7	D87 H88 I166 N167	N85-D87 VanDerWaalsContact C-N 3.26Å; N85-D87 WeakPolarHBondContact OD1-CA 3.28Å; N85-D87 PolarHBondContact OD1-N 2.89Å; N85-H88 PolarHBondContact O-ND1 2.84Å; N85-H88 VanDerWaalsContact O-ND1 3.15Å; N85-I166 HydrophobicContact CB-CB 4.48Å; N85-I166 HydrophobicContact CB-CD1 4.25Å; N85-N167 PolarHBondContact N-OD1 3.18Å; N85-N167 PolarHBondContact O-ND2 3.49Å
86	W	95	Very high	91.6	Very high	27 Å²	27	62 Å²	62	10%	0.102	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.3	172.1	-55.8	115.5	0	0	0	112.2	F84 H88 M92 K97 F100 W156 W193	F84-W86 AromaticContact CD1-CD2 3.93Å; F84-W86 HydrophobicContact CD1-CD2 3.93Å; F84-W86 AromaticContact CD1-CE3 3.57Å; F84-W86 HydrophobicContact CD1-CE3 3.57Å; F84-W86 AromaticContact CD1-CH2 3.88Å; F84-W86 HydrophobicContact CD1-CH2 3.88Å; F84-W86 HydrophobicContact CD1-CZ2 4.22Å; F84-W86 AromaticContact CD1-CZ3 3.53Å; F84-W86 HydrophobicContact CD1-CZ3 3.53Å; F84-W86 HydrophobicContact CE1-CD2 4.31Å; F84-W86 AromaticContact CE1-CE3 3.53Å; F84-W86 HydrophobicContact CE1-CE3 3.53Å; F84-W86 HydrophobicContact CE1-CH2 4.22Å; F84-W86 AromaticContact CE1-CZ3 3.46Å; F84-W86 HydrophobicContact CE1-CZ3 3.46Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.46Å; F84-W86 HydrophobicContact CZ-CZ3 4.43Å; W86-H88 VanDerWaalsContact C-N 3.32Å; W86-H88 PolarHBondContact O-N 3.03Å; W86-H88 PolarHBondContact O-ND1 3.12Å; W86-M92 HydrophobicContact CB-CE 4.22Å; W86-M92 HydrophobicContact CB-SD 4.21Å; W86-M92 WeakPolarHBondContact O-CE 3.36Å; W86-K97 VanDerWaalsContact CD1-CE 3.44Å; W86-F100 HydrophobicContact CD2-CB 4.35Å; W86-F100 HydrophobicContact CE3-CB 4.04Å; W86-F100 AromaticContact CE3-CD1 3.88Å; W86-F100 HydrophobicContact CE3-CD1 3.88Å; W86-F100 HydrophobicContact CE3-CE1 4.46Å; W86-F100 AromaticContact CE3-CG 3.96Å; W86-F100 HydrophobicContact CE3-CG 3.96Å; W86-F100 HydrophobicContact CH2-CB 3.95Å; W86-F100 AromaticContact CH2-CD1 3.99Å; W86-F100 HydrophobicContact CH2-CD1 3.99Å; W86-F100 HydrophobicContact CH2-CG 4.35Å; W86-F100 HydrophobicContact CZ2-CB 4.24Å; W86-F100 HydrophobicContact CZ3-CB 3.85Å; W86-F100 AromaticContact CZ3-CD1 3.34Å; W86-F100 HydrophobicContact CZ3-CD1 3.34Å; W86-F100 HydrophobicContact CZ3-CE1 4.03Å; W86-F100 AromaticContact CZ3-CG 3.79Å; W86-F100 HydrophobicContact CZ3-CG 3.79Å; W86-W156 HydrophobicContact CE3-CE3 4.48Å; W86-W156 AromaticContact CE3-CZ3 3.71Å; W86-W156 HydrophobicContact CE3-CZ3 3.71Å; W86-W156 HydrophobicContact CZ3-CE3 4.11Å; W86-W156 AromaticContact CZ3-CZ3 3.7Å; W86-W156 HydrophobicContact CZ3-CZ3 3.7Å; W86-W193 HydrophobicContact CH2-CH2 4.42Å; W86-W193 HydrophobicContact CH2-CZ2 4.19Å; W86-W193 HydrophobicContact CZ3-CH2 4.36Å; W86-W193 HydrophobicContact CZ3-CZ2 4.19Å
87	D	95.7	Very high	91.8	Very high	43 Å²	43	58.6 Å²	58.6	23%	0.23	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	29.9	-172.6	-55.5	-43.4	0	0	0	112.7	N85 C89 G90 M92 K97	N85-D87 VanDerWaalsContact C-N 3.26Å; N85-D87 WeakPolarHBondContact OD1-CA 3.28Å; N85-D87 PolarHBondContact OD1-N 2.89Å; D87-C89 PolarHBondContact O-N 3.39Å; D87-C89 VanDerWaalsContact O-N 3.11Å; D87-G90 CarbonylContact C-O 3.28Å; D87-G90 VanDerWaalsContact C-O 3.32Å; D87-G90 WeakPolarHBondContact CA-O 3.45Å; D87-G90 WeakPolarHBondContact CB-O 3.41Å; D87-G90 PolarHBondContact O-N 2.87Å; D87-G90 VanDerWaalsContact O-N 3.1Å; D87-M92 WeakPolarHBondContact OD1-CB 3.48Å; D87-M92 PolarHBondContact OD1-N 3.11Å; D87-K97 IonicContact OD2-NZ 3.48Å
88	H	96.4	Very high	92.7	Very high	20 Å²	20	58 Å²	58	9%	0.093	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.2	-175.4	57.8	-87.7	0	0	0	114.3	N85 W86 T151 W156 W160 C169	N85-H88 PolarHBondContact O-ND1 2.84Å; N85-H88 VanDerWaalsContact O-ND1 3.15Å; W86-H88 VanDerWaalsContact C-N 3.32Å; W86-H88 PolarHBondContact O-N 3.03Å; W86-H88 PolarHBondContact O-ND1 3.12Å; H88-T151 PolarHBondContact NE2-OG1 3.45Å; H88-W156 AromaticContact CE1-CE2 3.94Å; H88-W156 AromaticContact CE1-CH2 3.38Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.46Å; H88-W156 AromaticContact CE1-CZ2 3.28Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.39Å; H88-W156 AromaticContact NE2-CZ2 3.63Å; H88-W160 HydrophobicContact CB-CH2 4.48Å; H88-W160 HydrophobicContact CB-CZ3 4.07Å; H88-W160 AromaticContact CD2-CH2 3.62Å; H88-W160 AromaticContact CD2-CZ3 3.74Å; H88-W160 AromaticContact CE1-CH2 3.83Å; H88-W160 AromaticContact CG-CH2 3.69Å; H88-W160 AromaticContact CG-CZ3 3.72Å; H88-W160 AromaticContact ND1-CH2 3.79Å; H88-W160 AromaticContact NE2-CH2 3.7Å; H88-C169 PolarHBondContact O-SG 3.03Å
89	C	97.8	Very high	93.8	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.155	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	31.8	173.4	-82.1	0	0	0	0	112.4	D87 C152 C169 C175	D87-C89 PolarHBondContact O-N 3.39Å; D87-C89 VanDerWaalsContact O-N 3.11Å; C89-C152 PolarHBondContact SG-N 2.85Å; C89-C169 VanDerWaalsContact SG-SG 3.62Å; C89-C175 WeakPolarHBondContact CA-SG 3.28Å; C89-C175 HydrophobicContact CB-CB 3.69Å; C89-C175 WeakPolarHBondContact CB-SG 3.42Å; C89-C175 VanDerWaalsContact SG-CA 3.54Å; C89-C175 WeakPolarHBondContact SG-CB 3.49Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 3.4Å
90	G	95.4	Very high	94.5	Very high	48 Å²	48	52 Å²	52	50%	0.495	26%	0.259	S	S	.	.	S	Bend	trans	96.9	175.7	-169.7	0	0	0	0	0	111.4	D87 M92	D87-G90 CarbonylContact C-O 3.28Å; D87-G90 VanDerWaalsContact C-O 3.32Å; D87-G90 WeakPolarHBondContact CA-O 3.45Å; D87-G90 WeakPolarHBondContact CB-O 3.41Å; D87-G90 PolarHBondContact O-N 2.87Å; D87-G90 VanDerWaalsContact O-N 3.1Å; G90-M92 PolarHBondContact O-N 3.4Å
91	K	95.1	Very high	95.3	Very high	183 Å²	183	43 Å²	43	80%	0.796	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-60.9	120.3	-175.4	-172	176.6	-178.5	-179.8	0	110.6
92	M	96	Very high	95.9	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.039	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-70.6	138.1	173.8	-177.6	178.5	-76.4	0	0	110	W86 D87 G90 C96 K97 F100 W156 F178	W86-M92 HydrophobicContact CB-CE 4.22Å; W86-M92 HydrophobicContact CB-SD 4.21Å; W86-M92 WeakPolarHBondContact O-CE 3.36Å; D87-M92 WeakPolarHBondContact OD1-CB 3.48Å; D87-M92 PolarHBondContact OD1-N 3.11Å; G90-M92 PolarHBondContact O-N 3.4Å; M92-C96 HydrophobicContact CG-CB 3.96Å; M92-C96 HydrophobicContact SD-CB 4.34Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 VanDerWaalsContact SD-CA 3.6Å; M92-K97 HydrophobicContact SD-CB 3.84Å; M92-K97 HydrophobicContact SD-CG 4.18Å; M92-F100 HydrophobicContact CE-CD2 4.07Å; M92-F100 HydrophobicContact CE-CE2 3.73Å; M92-F100 HydrophobicContact CE-CZ 4.3Å; M92-F100 HydrophobicContact SD-CD2 3.73Å; M92-F100 HydrophobicContact SD-CE2 3.89Å; M92-W156 HydrophobicContact CE-CH2 3.86Å; M92-F178 HydrophobicContact CE-CE2 4.3Å; M92-F178 HydrophobicContact CE-CZ 4.08Å
93	E	95.7	Very high	96.5	Very high	102 Å²	102	40.3 Å²	40.3	48%	0.477	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-60.7	135.9	177	-72.6	-60.6	152.6	0	0	110.7	A95 C96 K97 S149	E93-A95 PolarHBondContact O-N 3.02Å; E93-C96 HydrophobicContact CB-CB 4.36Å; E93-C96 WeakPolarHBondContact O-CA 3.45Å; E93-C96 WeakPolarHBondContact O-CB 3.33Å; E93-C96 PolarHBondContact O-N 3.11Å; E93-K97 PolarHBondContact O-N 3.37Å; E93-S149 PolarHBondContact N-OG 3.22Å
94	P	96.6	Very high	96.8	Very high	87 Å²	87	37.5 Å²	37.5	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-57	-34.5	179.8	-26.9	35.2	0	0	0	113.5	C96 K97 R98	P94-C96 VanDerWaalsContact C-N 3.28Å; P94-C96 PolarHBondContact O-N 3.16Å; P94-K97 PolarHBondContact O-N 3.04Å; P94-R98 PolarHBondContact O-N 2.93Å; P94-R98 VanDerWaalsContact O-N 3.12Å
95	A	98.1	Very high	97.1	Very high	44 Å²	44	36.5 Å²	36.5	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-61.7	-35.4	175.4	0	0	0	0	0	112.2	E93 R98 H99 D145	E93-A95 PolarHBondContact O-N 3.02Å; A95-R98 VanDerWaalsContact O-CG 3.28Å; A95-R98 WeakPolarHBondContact O-CG 3.41Å; A95-R98 PolarHBondContact O-NE 3.49Å; A95-H99 PolarHBondContact O-CD2 2.04Å; A95-H99 VanDerWaalsContact O-CD2 3.22Å; A95-D145 HydrophobicContact CB-CB 4.35Å
96	C	98.4	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-77.2	-48.1	173.8	179.2	0	0	0	0	111.5	M92 E93 P94 R98 H99 D145 C146	M92-C96 HydrophobicContact CG-CB 3.96Å; M92-C96 HydrophobicContact SD-CB 4.34Å; E93-C96 HydrophobicContact CB-CB 4.36Å; E93-C96 WeakPolarHBondContact O-CA 3.45Å; E93-C96 WeakPolarHBondContact O-CB 3.33Å; E93-C96 PolarHBondContact O-N 3.11Å; P94-C96 VanDerWaalsContact C-N 3.28Å; P94-C96 PolarHBondContact O-N 3.16Å; C96-R98 VanDerWaalsContact C-N 3.26Å; C96-R98 PolarHBondContact O-N 3.22Å; C96-H99 WeakPolarHBondContact O-CB 3.04Å; C96-H99 PolarHBondContact O-N 3.15Å; C96-D145 WeakPolarHBondContact CB-O 3.33Å; C96-C146 WeakPolarHBondContact CA-SG 3.23Å; C96-C146 HydrophobicContact CB-CB 3.91Å; C96-C146 WeakPolarHBondContact CB-SG 3.32Å; C96-C146 WeakPolarHBondContact SG-CA 3.37Å; C96-C146 WeakPolarHBondContact SG-CB 3.47Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 2.89Å
97	K	97.2	Very high	97.5	Very high	23 Å²	23	35.1 Å²	35.1	10%	0.1	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-35.8	-174.4	-166.3	172.5	-162.2	161.9	0	113.1	D77 W86 D87 M92 E93 P94 H99 F100 I101	D77-K97 VanDerWaalsContact CG-NZ 3.34Å; D77-K97 WeakPolarHBondContact OD1-CE 3.37Å; D77-K97 IonicContact OD1-NZ 3.71Å; D77-K97 PolarHBondContact OD1-NZ 2.97Å; W86-K97 VanDerWaalsContact CD1-CE 3.44Å; D87-K97 IonicContact OD2-NZ 3.48Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 VanDerWaalsContact SD-CA 3.6Å; M92-K97 HydrophobicContact SD-CB 3.84Å; M92-K97 HydrophobicContact SD-CG 4.18Å; E93-K97 PolarHBondContact O-N 3.37Å; P94-K97 PolarHBondContact O-N 3.04Å; K97-H99 PolarHBondContact O-N 3.34Å; K97-F100 PolarHBondContact O-N 3.45Å; K97-F100 VanDerWaalsContact O-N 3.16Å; K97-I101 HydrophobicContact CG-CD1 4.4Å; K97-I101 PolarHBondContact O-N 2.97Å; K97-I101 VanDerWaalsContact O-N 3.11Å
98	R	98.1	Very high	97.6	Very high	80 Å²	80	33.1 Å²	33.1	30%	0.302	18%	0.181	S	C	.	.	H	α-helix	trans	-58	-34.5	176.6	77	-169.5	-174.8	152.9	-1.1	112.5	Q56 P94 A95 C96 F100 I101 Q102 D145 W213	Q56-R98 PolarHBondContact OE1-O 3.49Å; P94-R98 PolarHBondContact O-N 2.93Å; P94-R98 VanDerWaalsContact O-N 3.12Å; A95-R98 VanDerWaalsContact O-CG 3.28Å; A95-R98 WeakPolarHBondContact O-CG 3.41Å; A95-R98 PolarHBondContact O-NE 3.49Å; C96-R98 VanDerWaalsContact C-N 3.26Å; C96-R98 PolarHBondContact O-N 3.22Å; R98-F100 PolarHBondContact O-N 3.35Å; R98-I101 PolarHBondContact O-N 3Å; R98-Q102 WeakPolarHBondContact O-CB 3.4Å; R98-Q102 PolarHBondContact O-N 3.47Å; R98-D145 IonicContact CZ-OD2 3.59Å; R98-D145 IonicContact NE-OD2 2.6Å; R98-D145 IonicContact NH2-OD2 3.47Å; R98-D145 PolarHBondContact NH2-OD2 3.13Å; R98-W213 HydrophobicContact CB-CH2 4.45Å; R98-W213 HydrophobicContact CG-CH2 4.27Å; R98-W213 HydrophobicContact CG-CZ2 4.11Å
99	H	98.6	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.6	-36.9	179	-71.7	-85.5	0	0	0	112.2	A95 C96 K97 I101 Q102 D103 W142 D145 M212 W213	A95-H99 PolarHBondContact O-CD2 2.04Å; A95-H99 VanDerWaalsContact O-CD2 3.22Å; C96-H99 WeakPolarHBondContact O-CB 3.04Å; C96-H99 PolarHBondContact O-N 3.15Å; K97-H99 PolarHBondContact O-N 3.34Å; H99-I101 VanDerWaalsContact C-N 3.34Å; H99-Q102 PolarHBondContact O-N 3.42Å; H99-D103 VanDerWaalsContact O-CB 3.26Å; H99-D103 WeakPolarHBondContact O-CB 3.39Å; H99-D103 PolarHBondContact O-N 3.16Å; H99-W142 HydrophobicContact CB-CB 4.09Å; H99-W142 HydrophobicContact CB-CD2 3.98Å; H99-W142 HydrophobicContact CB-CG 3.52Å; H99-W142 AromaticContact CG-CD1 3.68Å; H99-W142 AromaticContact CG-CG 3.82Å; H99-D145 IonicContact CD2-OD2 3.17Å; H99-D145 IonicContact NE2-OD2 3.84Å; H99-D145 PolarHBondContact NE2-OD2 2.99Å; H99-M212 HydrophobicContact CB-CE 4.39Å; H99-W213 AromaticContact CE1-NE1 3.65Å; H99-W213 AromaticContact ND1-NE1 3.39Å; H99-W213 PolarHBondContact ND1-NE1 3.1Å
100	F	97.9	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-35.7	174	-72.1	-83.9	0	0	0	112.5	W86 M92 K97 R98 A104 W142 W156 F178 L192 W193	W86-F100 HydrophobicContact CD2-CB 4.35Å; W86-F100 HydrophobicContact CE3-CB 4.04Å; W86-F100 AromaticContact CE3-CD1 3.88Å; W86-F100 HydrophobicContact CE3-CD1 3.88Å; W86-F100 HydrophobicContact CE3-CE1 4.46Å; W86-F100 AromaticContact CE3-CG 3.96Å; W86-F100 HydrophobicContact CE3-CG 3.96Å; W86-F100 HydrophobicContact CH2-CB 3.95Å; W86-F100 AromaticContact CH2-CD1 3.99Å; W86-F100 HydrophobicContact CH2-CD1 3.99Å; W86-F100 HydrophobicContact CH2-CG 4.35Å; W86-F100 HydrophobicContact CZ2-CB 4.24Å; W86-F100 HydrophobicContact CZ3-CB 3.85Å; W86-F100 AromaticContact CZ3-CD1 3.34Å; W86-F100 HydrophobicContact CZ3-CD1 3.34Å; W86-F100 HydrophobicContact CZ3-CE1 4.03Å; W86-F100 AromaticContact CZ3-CG 3.79Å; W86-F100 HydrophobicContact CZ3-CG 3.79Å; M92-F100 HydrophobicContact CE-CD2 4.07Å; M92-F100 HydrophobicContact CE-CE2 3.73Å; M92-F100 HydrophobicContact CE-CZ 4.3Å; M92-F100 HydrophobicContact SD-CD2 3.73Å; M92-F100 HydrophobicContact SD-CE2 3.89Å; K97-F100 PolarHBondContact O-N 3.45Å; K97-F100 VanDerWaalsContact O-N 3.16Å; R98-F100 PolarHBondContact O-N 3.35Å; F100-A104 WeakPolarHBondContact O-CB 3.03Å; F100-A104 PolarHBondContact O-N 2.89Å; F100-W142 AromaticContact CD1-CZ2 3.77Å; F100-W142 HydrophobicContact CD1-CZ2 3.77Å; F100-W142 AromaticContact CD2-NE1 3.94Å; F100-W142 AromaticContact CE1-CZ2 3.71Å; F100-W142 HydrophobicContact CE1-CZ2 3.71Å; F100-W142 HydrophobicContact CE2-CZ2 4.45Å; F100-W142 AromaticContact CE2-NE1 3.64Å; F100-W142 HydrophobicContact CG-CZ2 4.22Å; F100-W142 HydrophobicContact CZ-CZ2 4.05Å; F100-W142 AromaticContact CZ-NE1 3.89Å; F100-W156 AromaticContact CD1-CZ3 3.96Å; F100-W156 HydrophobicContact CD1-CZ3 3.96Å; F100-W156 AromaticContact CE1-CE3 3.82Å; F100-W156 HydrophobicContact CE1-CE3 3.82Å; F100-W156 AromaticContact CE1-CH2 3.74Å; F100-W156 HydrophobicContact CE1-CH2 3.74Å; F100-W156 AromaticContact CE1-CZ3 3.23Å; F100-W156 HydrophobicContact CE1-CZ3 3.23Å; F100-W156 HydrophobicContact CE2-CH2 4.32Å; F100-W156 HydrophobicContact CE2-CZ3 4.47Å; F100-W156 HydrophobicContact CZ-CE3 4.43Å; F100-W156 AromaticContact CZ-CH2 3.54Å; F100-W156 HydrophobicContact CZ-CH2 3.54Å; F100-W156 HydrophobicContact CZ-CZ2 4.39Å; F100-W156 AromaticContact CZ-CZ3 3.57Å; F100-W156 HydrophobicContact CZ-CZ3 3.57Å; F100-F178 HydrophobicContact CE2-CE1 4.2Å; F100-F178 HydrophobicContact CE2-CZ 4.01Å; F100-F178 AromaticContact CZ-CE1 3.82Å; F100-F178 HydrophobicContact CZ-CE1 3.82Å; F100-F178 AromaticContact CZ-CZ 3.79Å; F100-F178 HydrophobicContact CZ-CZ 3.79Å; F100-L192 HydrophobicContact CD1-CD2 4.33Å; F100-L192 HydrophobicContact CE1-CD1 4.16Å; F100-L192 HydrophobicContact CE1-CD2 3.5Å; F100-L192 VanDerWaalsContact CE1-CD2 3.5Å; F100-L192 HydrophobicContact CE1-CG 4.38Å; F100-L192 HydrophobicContact CZ-CD1 4.45Å; F100-L192 HydrophobicContact CZ-CD2 4.15Å; F100-W193 HydrophobicContact CD1-CZ2 4.38Å
101	I	98.3	Very high	97.9	Very high	16 Å²	16	29 Å²	29	8%	0.082	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-46.5	173.7	-63.8	169.6	0	0	0	110.2	Q56 K97 R98 H99 D103 A104 C105	Q56-I101 HydrophobicContact CB-CG2 4Å; Q56-I101 HydrophobicContact CG-CG2 4.33Å; K97-I101 HydrophobicContact CG-CD1 4.4Å; K97-I101 PolarHBondContact O-N 2.97Å; K97-I101 VanDerWaalsContact O-N 3.11Å; R98-I101 PolarHBondContact O-N 3Å; H99-I101 VanDerWaalsContact C-N 3.34Å; I101-D103 PolarHBondContact O-N 3.38Å; I101-A104 PolarHBondContact O-N 3.19Å; I101-C105 PolarHBondContact O-N 3.22Å; I101-C105 PolarHBondContact O-SG 3.36Å; I101-C105 VanDerWaalsContact O-SG 3.37Å
102	Q	98.7	Very high	98.1	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-39.8	178.6	-164.8	76.8	17.6	0	0	112.1	Q56 R98 H99 A104 C105 L106 M212 W213	Q56-Q102 VanDerWaalsContact CB-OE1 3.29Å; Q56-Q102 PolarHBondContact O-OE1 3.18Å; R98-Q102 WeakPolarHBondContact O-CB 3.4Å; R98-Q102 PolarHBondContact O-N 3.47Å; H99-Q102 PolarHBondContact O-N 3.42Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-C105 WeakPolarHBondContact O-CB 3.34Å; Q102-C105 PolarHBondContact O-N 2.94Å; Q102-L106 PolarHBondContact O-N 2.85Å; Q102-M212 HydrophobicContact CB-CE 4.41Å; Q102-M212 HydrophobicContact CB-CG 4.04Å; Q102-M212 HydrophobicContact CB-SD 4.44Å; Q102-M212 HydrophobicContact CG-CG 3.51Å; Q102-M212 VanDerWaalsContact CG-O 3.31Å; Q102-M212 WeakPolarHBondContact CG-O 3.42Å; Q102-M212 PolarHBondContact NE2-O 2.89Å; Q102-W213 HydrophobicContact CB-CD2 4.44Å; Q102-W213 HydrophobicContact CB-CH2 4Å; Q102-W213 HydrophobicContact CB-CZ2 3.49Å; Q102-W213 VanDerWaalsContact CB-CZ2 3.49Å; Q102-W213 HydrophobicContact CG-CD2 3.75Å; Q102-W213 HydrophobicContact CG-CE3 4.14Å; Q102-W213 HydrophobicContact CG-CG 4.21Å; Q102-W213 HydrophobicContact CG-CH2 4.12Å; Q102-W213 HydrophobicContact CG-CZ2 3.74Å; Q102-W213 HydrophobicContact CG-CZ3 4.31Å
103	D	98.6	Very high	98.2	Very high	11 Å²	11	20.4 Å²	20.4	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-57.4	-47.8	171.9	168.9	49	0	0	0	111	H99 I101 C105 L106 Y107 W142 W193 F197 M212	H99-D103 VanDerWaalsContact O-CB 3.26Å; H99-D103 WeakPolarHBondContact O-CB 3.39Å; H99-D103 PolarHBondContact O-N 3.16Å; I101-D103 PolarHBondContact O-N 3.38Å; D103-C105 PolarHBondContact O-N 3.12Å; D103-L106 PolarHBondContact O-N 3.28Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.26Å; D103-W142 HydrophobicContact CB-CH2 3.95Å; D103-W142 HydrophobicContact CB-CZ3 4.32Å; D103-W193 PolarHBondContact OD2-NE1 2.98Å; D103-F197 WeakPolarHBondContact OD1-CE2 3.07Å; D103-F197 WeakPolarHBondContact OD1-CZ 3.42Å; D103-M212 WeakPolarHBondContact CA-SD 3.18Å; D103-M212 HydrophobicContact CB-SD 3.61Å; D103-M212 PolarHBondContact N-SD 2.8Å; D103-M212 VanDerWaalsContact N-SD 3.36Å
104	A	98.1	Very high	98.3	Very high	16 Å²	16	15.5 Å²	15.5	13%	0.132	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-37.6	176.9	0	0	0	0	0	112.4	L74 F100 I101 Q102 Y107 E108	L74-A104 HydrophobicContact CD1-CB 4.04Å; L74-A104 HydrophobicContact CD2-CB 3.52Å; L74-A104 HydrophobicContact CG-CB 4.28Å; F100-A104 WeakPolarHBondContact O-CB 3.03Å; F100-A104 PolarHBondContact O-N 2.89Å; I101-A104 PolarHBondContact O-N 3.19Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; A104-Y107 PolarHBondContact O-N 3.49Å; A104-E108 WeakPolarHBondContact O-CB 3.48Å; A104-E108 VanDerWaalsContact O-CG 3.28Å; A104-E108 WeakPolarHBondContact O-CG 3.31Å; A104-E108 PolarHBondContact O-N 3.21Å
105	C	98.6	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.4	-45.4	171.7	-66.9	0	0	0	0	111.4	C57 W60 I101 Q102 D103 Y107 C109	C57-C105 WeakPolarHBondContact CA-SG 3.23Å; C57-C105 HydrophobicContact CB-CB 3.87Å; C57-C105 WeakPolarHBondContact CB-SG 3.41Å; C57-C105 PolarHBondContact N-SG 3.39Å; C57-C105 WeakPolarHBondContact SG-CB 3.41Å; C57-C105 CovalentContact SG-SG 2.04Å; C57-C105 PolarHBondContact SG-SG 2.89Å; W60-C105 HydrophobicContact CE3-CB 4.11Å; W60-C105 HydrophobicContact CH2-CB 3.91Å; W60-C105 HydrophobicContact CZ3-CB 3.46Å; W60-C105 VanDerWaalsContact CZ3-CB 3.46Å; I101-C105 PolarHBondContact O-N 3.22Å; I101-C105 PolarHBondContact O-SG 3.36Å; I101-C105 VanDerWaalsContact O-SG 3.37Å; Q102-C105 WeakPolarHBondContact O-CB 3.34Å; Q102-C105 PolarHBondContact O-N 2.94Å; D103-C105 PolarHBondContact O-N 3.12Å; C105-Y107 PolarHBondContact O-N 2.8Å; C105-C109 WeakPolarHBondContact O-CA 3.47Å; C105-C109 WeakPolarHBondContact O-CB 3.49Å; C105-C109 PolarHBondContact O-N 3.11Å; C105-C109 PolarHBondContact O-SG 2.04Å; C105-C109 VanDerWaalsContact O-SG 3.39Å
106	L	98.8	Very high	98.3	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-59.6	-48.6	176.1	175.1	70.1	0	0	0	110.9	W60 Q102 D103 S110 L113 F197 I210 M212	W60-L106 HydrophobicContact CH2-CB 4.25Å; W60-L106 HydrophobicContact CZ2-CB 3.97Å; W60-L106 HydrophobicContact CZ2-CD1 3.93Å; Q102-L106 PolarHBondContact O-N 2.85Å; D103-L106 PolarHBondContact O-N 3.28Å; L106-S110 WeakPolarHBondContact O-CB 3.16Å; L106-S110 PolarHBondContact O-N 3.26Å; L106-L113 HydrophobicContact CG-CD1 4.49Å; L106-F197 HydrophobicContact CD2-CE1 3.94Å; L106-F197 HydrophobicContact CD2-CZ 3.97Å; L106-I210 HydrophobicContact CD1-CG2 4Å; L106-I210 HydrophobicContact CD2-CG2 4.01Å; L106-M212 HydrophobicContact CB-CG 4.26Å; L106-M212 HydrophobicContact CD2-CB 4.08Å; L106-M212 HydrophobicContact CD2-CG 4.17Å
107	Y	98.6	Very high	98.2	Very high	29 Å²	29	11.4 Å²	11.4	11%	0.114	5%	0.053	C	C	.	.	H	α-helix	trans	-63.6	-47.5	-178.4	175.7	-97.3	0	0	0	112.6	M38 H43 D103 A104 C105 I129	M38-Y107 HydrophobicContact CE-CD2 4.04Å; M38-Y107 HydrophobicContact CE-CE2 3.91Å; M38-Y107 HydrophobicContact SD-CD2 4.37Å; M38-Y107 HydrophobicContact SD-CE2 3.63Å; H43-Y107 AromaticContact CE1-CE1 3.74Å; H43-Y107 PolarHBondContact NE2-O 2.86Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.26Å; A104-Y107 PolarHBondContact O-N 3.49Å; C105-Y107 PolarHBondContact O-N 2.8Å; Y107-I129 HydrophobicContact CD2-CD1 3.95Å; Y107-I129 HydrophobicContact CD2-CG1 3.99Å; Y107-I129 HydrophobicContact CE2-CG1 4.1Å
108	E	98.6	Very high	98	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-77.9	-36	-177.1	-63.7	-59.7	162	0	0	112.6	H43 C65 C66 T70 L74 Y82 A104	H43-E108 PolarHBondContact CD2-O 3.48Å; H43-E108 IonicContact CE1-OE2 3.67Å; H43-E108 PolarHBondContact CE1-OE2 3.32Å; H43-E108 IonicContact ND1-OE2 2.66Å; H43-E108 PolarHBondContact ND1-OE2 3.4Å; H43-E108 PolarHBondContact NE2-O 3.25Å; H43-E108 IonicContact NE2-OE2 2.73Å; C65-E108 CarbonylContact C-O 3.52Å; C65-E108 VanDerWaalsContact C-O 3.28Å; C65-E108 WeakPolarHBondContact CB-O 3.41Å; C66-E108 HydrophobicContact CB-CB 3.98Å; C66-E108 WeakPolarHBondContact CB-O 3.28Å; C66-E108 PolarHBondContact N-O 3.02Å; T70-E108 HydrophobicContact CG2-CB 4.09Å; T70-E108 HydrophobicContact CG2-CG 4.06Å; L74-E108 HydrophobicContact CD1-CB 4.23Å; L74-E108 HydrophobicContact CD1-CG 3.97Å; L74-E108 HydrophobicContact CD2-CG 4.38Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.14Å; Y82-E108 PolarHBondContact OH-OE1 3.32Å; A104-E108 WeakPolarHBondContact O-CB 3.48Å; A104-E108 VanDerWaalsContact O-CG 3.28Å; A104-E108 WeakPolarHBondContact O-CG 3.31Å; A104-E108 PolarHBondContact O-N 3.21Å
109	C	98.8	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-103.4	-24.7	-167.5	-52.7	0	0	0	0	114.5	W60 A64 C65 C66 C105 P111	W60-C109 HydrophobicContact CB-CB 3.92Å; W60-C109 HydrophobicContact CD2-CB 4.08Å; W60-C109 HydrophobicContact CE3-CB 4.49Å; W60-C109 HydrophobicContact CG-CB 3.82Å; A64-C109 CarbonylContact C-O 3.56Å; A64-C109 VanDerWaalsContact CA-O 3.31Å; A64-C109 WeakPolarHBondContact CA-O 2.99Å; A64-C109 HydrophobicContact CB-CB 4.29Å; C65-C109 PolarHBondContact N-O 2.86Å; C66-C109 HydrophobicContact CB-CB 3.91Å; C66-C109 WeakPolarHBondContact CB-SG 3.4Å; C66-C109 WeakPolarHBondContact SG-CB 3.26Å; C66-C109 CovalentContact SG-SG 2.04Å; C66-C109 PolarHBondContact SG-SG 3.37Å; C105-C109 WeakPolarHBondContact O-CA 3.47Å; C105-C109 WeakPolarHBondContact O-CB 3.49Å; C105-C109 PolarHBondContact O-N 3.11Å; C105-C109 PolarHBondContact O-SG 2.04Å; C105-C109 VanDerWaalsContact O-SG 3.39Å; C109-P111 VanDerWaalsContact O-CD 3.3Å; C109-P111 WeakPolarHBondContact O-CD 3.33Å
110	S	98.8	Very high	96.9	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	9%	0.087	C	C	.	.			trans	-72.4	122.1	-171	-174.8	0	0	0	0	113.2	L106 N112	L106-S110 WeakPolarHBondContact O-CB 3.16Å; L106-S110 PolarHBondContact O-N 3.26Å; S110-N112 PolarHBondContact O-N 3.23Å; S110-N112 PolarHBondContact OG-N 3.39Å
111	P	98.6	Very high	95.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.5	172.8	37	-36.7	0	0	0	112.8	N35 V36 P47 C109	N35-P111 WeakPolarHBondContact CA-O 3.19Å; N35-P111 PolarHBondContact N-O 3.43Å; V36-P111 PolarHBondContact N-O 3.05Å; V36-P111 VanDerWaalsContact N-O 3.11Å; P47-P111 HydrophobicContact CB-CB 3.74Å; P47-P111 HydrophobicContact CG-CB 3.48Å; P47-P111 VanDerWaalsContact CG-CB 3.48Å; C109-P111 VanDerWaalsContact O-CD 3.3Å; C109-P111 WeakPolarHBondContact O-CD 3.33Å
112	N	98.7	Very high	95	Very high	9 Å²	9	28 Å²	28	5%	0.048	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	11.8	-170.9	-54.2	112.6	0	0	0	113.2	S110 N220 N222 A226	S110-N112 PolarHBondContact O-N 3.23Å; S110-N112 PolarHBondContact OG-N 3.39Å; N112-N220 PolarHBondContact OD1-ND2 2.89Å; N112-N222 HydrophobicContact CB-CB 3.95Å; N112-A226 HydrophobicContact CB-CB 4Å; N112-A226 WeakPolarHBondContact O-CB 3.02Å
113	L	98.6	Very high	94.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.174	C	C	.	.			trans	-92.6	1.7	-179.7	-61.2	177	0	0	0	113.4	M38 L106 P115 W116 I117 I129 V132 I210	M38-L113 HydrophobicContact CE-CD1 4.33Å; L106-L113 HydrophobicContact CG-CD1 4.49Å; L113-P115 VanDerWaalsContact C-CD 3.43Å; L113-W116 HydrophobicContact CD2-CE3 4.48Å; L113-W116 PolarHBondContact O-N 2.84Å; L113-I117 PolarHBondContact O-N 2.04Å; L113-I129 HydrophobicContact CB-CG2 3.91Å; L113-I129 HydrophobicContact CD1-CD1 4.45Å; L113-I129 HydrophobicContact CD1-CG2 4.13Å; L113-V132 HydrophobicContact CD2-CG1 3.96Å; L113-V132 HydrophobicContact CD2-CG2 4.19Å; L113-I210 HydrophobicContact CD2-CG1 4.48Å; L113-I210 HydrophobicContact CD2-CG2 4.26Å
114	G	97.6	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-50.6	-42.2	-174.5	0	0	0	0	0	116.7	L33 W116 I117	L33-G114 VanDerWaalsContact O-CA 3.23Å; L33-G114 WeakPolarHBondContact O-CA 3.09Å; G114-W116 PolarHBondContact O-N 2.82Å; G114-I117 PolarHBondContact O-N 3.23Å; G114-I117 VanDerWaalsContact O-N 3.13Å
115	P	97	Very high	92.4	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.032	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-58	-19.8	177.3	-26.1	36.4	0	0	0	114.7	L33 L113 A226 A230 M233	L33-P115 HydrophobicContact CB-CG 4.44Å; L33-P115 WeakPolarHBondContact O-CD 3.05Å; L113-P115 VanDerWaalsContact C-CD 3.43Å; P115-A226 HydrophobicContact CG-CB 4.39Å; P115-A230 HydrophobicContact CG-CB 4.32Å; P115-M233 HydrophobicContact CB-SD 3.89Å
116	W	97.7	Very high	92.1	Very high	22 Å²	22	42.3 Å²	42.3	8%	0.083	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-113.2	7.3	-176.3	-56.8	-75.5	0	0	0	113.4	L113 G114 W118 I129 L130 V132 P133 I210 V225 Y229	L113-W116 HydrophobicContact CD2-CE3 4.48Å; L113-W116 PolarHBondContact O-N 2.84Å; G114-W116 PolarHBondContact O-N 2.82Å; W116-W118 PolarHBondContact O-N 2.04Å; W116-I129 CarbonylContact O-C 3.53Å; W116-I129 WeakPolarHBondContact O-CA 3.05Å; W116-L130 WeakPolarHBondContact CB-O 2.96Å; W116-L130 PolarHBondContact O-N 3.15Å; W116-V132 HydrophobicContact CB-CG2 3.51Å; W116-V132 HydrophobicContact CD2-CB 4.47Å; W116-V132 HydrophobicContact CD2-CG2 4.04Å; W116-V132 HydrophobicContact CE3-CG1 4.42Å; W116-V132 HydrophobicContact CE3-CG2 4.13Å; W116-V132 HydrophobicContact CG-CB 4.38Å; W116-V132 HydrophobicContact CG-CG2 3.76Å; W116-P133 HydrophobicContact CH2-CG 4.02Å; W116-P133 HydrophobicContact CZ2-CG 3.38Å; W116-I210 HydrophobicContact CH2-CD1 3.96Å; W116-I210 HydrophobicContact CH2-CG1 3.87Å; W116-I210 HydrophobicContact CZ3-CD1 3.76Å; W116-I210 HydrophobicContact CZ3-CG1 3.77Å; W116-V225 HydrophobicContact CH2-CG1 4.15Å; W116-Y229 AromaticContact CH2-CD2 3.8Å; W116-Y229 HydrophobicContact CH2-CD2 3.8Å; W116-Y229 HydrophobicContact CH2-CE2 4.49Å; W116-Y229 HydrophobicContact CH2-CG 4.15Å; W116-Y229 HydrophobicContact CZ2-CD1 4.14Å; W116-Y229 AromaticContact CZ2-CD2 3.45Å; W116-Y229 HydrophobicContact CZ2-CD2 3.45Å; W116-Y229 VanDerWaalsContact CZ2-CD2 3.45Å; W116-Y229 AromaticContact CZ2-CE2 4Å; W116-Y229 HydrophobicContact CZ2-CE2 4Å; W116-Y229 AromaticContact CZ2-CG 3.53Å; W116-Y229 HydrophobicContact CZ2-CG 3.53Å
117	I	96.5	Very high	91.9	Very high	18 Å²	18	43.3 Å²	43.3	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.2	176.4	-69.1	175.2	0	0	0	109.8	V36 M38 L113 G114 E127 R128 I129	V36-I117 HydrophobicContact CG2-CD1 4.48Å; M38-I117 HydrophobicContact CB-CD1 3.53Å; M38-I117 HydrophobicContact CB-CG1 3.96Å; M38-I117 HydrophobicContact CB-CG2 4.21Å; L113-I117 PolarHBondContact O-N 2.04Å; G114-I117 PolarHBondContact O-N 3.23Å; G114-I117 VanDerWaalsContact O-N 3.13Å; I117-E127 HydrophobicContact CG2-CB 3.81Å; I117-E127 HydrophobicContact CG2-CG 4.02Å; I117-R128 CarbonylContact C-O 3.39Å; I117-R128 WeakPolarHBondContact CA-O 3.05Å; I117-I129 HydrophobicContact CG1-CG2 4.35Å
118	W	92.5	Very high	91.7	Very high	130 Å²	130	42.8 Å²	42.8	49%	0.492	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.7	-178.9	-87.5	63.7	0	0	0	111.2	W116 V120 E127 R128 L130	W116-W118 PolarHBondContact O-N 2.04Å; W118-V120 PolarHBondContact O-N 2.76Å; W118-E127 CarbonylContact O-C 3.59Å; W118-E127 VanDerWaalsContact O-CA 3.26Å; W118-E127 WeakPolarHBondContact O-CA 3.41Å; W118-R128 PolarHBondContact N-O 2.73Å; W118-R128 PolarHBondContact O-N 3.1Å; W118-L130 HydrophobicContact CB-CD1 3.81Å; W118-L130 HydrophobicContact CB-CG 4.18Å; W118-L130 HydrophobicContact CD2-CD1 3.89Å; W118-L130 HydrophobicContact CE3-CD1 4.07Å; W118-L130 HydrophobicContact CG-CB 4.27Å; W118-L130 HydrophobicContact CG-CD1 3.78Å; W118-L130 HydrophobicContact CG-CG 4.3Å
119	Q	91.3	Very high	91.6	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.9	174.7	-68	-174.7	-16.3	0	0	110.8	K126 E127	Q119-K126 WeakPolarHBondContact CA-O 3.31Å; Q119-E127 HydrophobicContact CG-CG 4.34Å
120	V	82.3	Confident	91.6	Very high	29 Å²	29	44.5 Å²	44.5	18%	0.176	22%	0.217	C	C	.	.			trans	-132.4	101.6	173	-68.2	0	0	0	0	106.9	W118 Q122 R125 K126 R128	W118-V120 PolarHBondContact O-N 2.76Å; V120-Q122 HydrophobicContact CB-CG 4.37Å; V120-Q122 PolarHBondContact O-N 2.92Å; V120-R125 HydrophobicContact CG2-CG 4.12Å; V120-K126 CarbonylContact C-O 3.54Å; V120-K126 PolarHBondContact N-O 3.45Å; V120-K126 CarbonylContact O-C 3.59Å; V120-K126 VanDerWaalsContact O-O 3.14Å; V120-R128 HydrophobicContact CB-CG 4.34Å; V120-R128 HydrophobicContact CG1-CG 3.73Å; V120-R128 HydrophobicContact CG2-CB 3.84Å; V120-R128 HydrophobicContact CG2-CG 3.58Å
121	N	75	Confident	91.5	Very high	134 Å²	134	48 Å²	48	72%	0.717	24%	0.236	S	C	*	.			trans	-73	72.7	-178	-79.3	-32.3	0	0	0	111.2
122	Q	82.4	Confident	91.5	Very high	75 Å²	75	48 Å²	48	35%	0.35	24%	0.235	S	C	.	.			trans	-101	165.1	176.3	-64.1	-179.4	-12.5	0	0	109.9	V120 W124 R125	V120-Q122 HydrophobicContact CB-CG 4.37Å; V120-Q122 PolarHBondContact O-N 2.92Å; Q122-W124 VanDerWaalsContact C-N 3.3Å; Q122-W124 PolarHBondContact O-N 3.27Å; Q122-R125 CarbonylContact C-O 3.42Å; Q122-R125 HydrophobicContact CB-CG 4.28Å; Q122-R125 PolarHBondContact N-O 2.68Å
123	S	80.3	Confident	91.5	Very high	123 Å²	123	48.1 Å²	48.1	86%	0.86	24%	0.237	S	C	*	.	S	Bend	trans	-66.5	-30.5	-177.5	50.7	0	0	0	0	113.2
124	W	76.3	Confident	91.6	Very high	97 Å²	97	48 Å²	48	37%	0.367	24%	0.236	S	C	.	.	S	Bend	trans	-111.3	-6.5	-171.9	61.4	-91.6	0	0	0	114.7	Y82 Q122	Y82-W124 HydrophobicContact CE1-CZ3 4.2Å; Q122-W124 VanDerWaalsContact C-N 3.3Å; Q122-W124 PolarHBondContact O-N 3.27Å
125	R	83.6	Confident	91.6	Very high	9 Å²	9	48 Å²	48	3%	0.034	24%	0.236	C	C	.	.			trans	-153.1	147.3	173.5	60.4	174.3	173.1	-163	-6.2	110.3	A40 V120 Q122 E127	A40-R125 HydrophobicContact CB-CB 4.03Å; V120-R125 HydrophobicContact CG2-CG 4.12Å; Q122-R125 CarbonylContact C-O 3.42Å; Q122-R125 HydrophobicContact CB-CG 4.28Å; Q122-R125 PolarHBondContact N-O 2.68Å; R125-E127 WeakPolarHBondContact CD-O 3.05Å
126	K	91.4	Very high	91.7	Very high	103 Å²	103	51.7 Å²	51.7	45%	0.448	25%	0.252	S	S	.	.	S	Bend	trans	-99.1	-25.3	173.8	-60.7	-55.8	-176.9	-171.1	0	112	N39 Q119 V120	N39-K126 HydrophobicContact CB-CB 4.39Å; N39-K126 PolarHBondContact O-N 3.07Å; Q119-K126 WeakPolarHBondContact CA-O 3.31Å; V120-K126 CarbonylContact C-O 3.54Å; V120-K126 PolarHBondContact N-O 3.45Å; V120-K126 CarbonylContact O-C 3.59Å; V120-K126 VanDerWaalsContact O-O 3.14Å
127	E	94.7	Very high	91.7	Very high	22 Å²	22	53.9 Å²	53.9	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.4	178.2	-67.7	178.9	146.1	0	0	110.9	R30 M38 N39 I117 W118 Q119 R125	R30-E127 IonicContact CZ-OE1 3.35Å; R30-E127 IonicContact CZ-OE2 3.56Å; R30-E127 IonicContact NE-OE1 2.93Å; R30-E127 PolarHBondContact NE-OE1 3.2Å; R30-E127 IonicContact NH2-OE1 2.89Å; R30-E127 PolarHBondContact NH2-OE1 3.02Å; R30-E127 IonicContact NH2-OE2 3.51Å; R30-E127 PolarHBondContact NH2-OE2 3.11Å; M38-E127 HydrophobicContact CB-CB 4.25Å; N39-E127 HydrophobicContact CB-CB 4.45Å; N39-E127 HydrophobicContact CB-CG 4.25Å; N39-E127 WeakPolarHBondContact CB-OE2 3.31Å; N39-E127 PolarHBondContact N-OE2 2.93Å; N39-E127 PolarHBondContact O-N 3.41Å; I117-E127 HydrophobicContact CG2-CB 3.81Å; I117-E127 HydrophobicContact CG2-CG 4.02Å; W118-E127 CarbonylContact O-C 3.59Å; W118-E127 VanDerWaalsContact O-CA 3.26Å; W118-E127 WeakPolarHBondContact O-CA 3.41Å; Q119-E127 HydrophobicContact CG-CG 4.34Å; R125-E127 WeakPolarHBondContact CD-O 3.05Å
128	R	94.6	Very high	91.8	Very high	18 Å²	18	53.8 Å²	53.8	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	169.8	169.6	68.9	172.5	-71.4	-179.2	-5.7	109.8	I117 W118 V120 L130 H157 W193 S194 S196	I117-R128 CarbonylContact C-O 3.39Å; I117-R128 WeakPolarHBondContact CA-O 3.05Å; W118-R128 PolarHBondContact N-O 2.73Å; W118-R128 PolarHBondContact O-N 3.1Å; V120-R128 HydrophobicContact CB-CG 4.34Å; V120-R128 HydrophobicContact CG1-CG 3.73Å; V120-R128 HydrophobicContact CG2-CB 3.84Å; V120-R128 HydrophobicContact CG2-CG 3.58Å; R128-L130 HydrophobicContact CG-CG 4.29Å; R128-H157 PolarHBondContact NH2-CE1 2.77Å; R128-W193 PolarHBondContact NH2-O 2.91Å; R128-S194 PolarHBondContact NH2-O 2.76Å; R128-S194 VanDerWaalsContact NH2-O 3.11Å; R128-S196 PolarHBondContact NH2-OG 3.29Å
129	I	97.4	Very high	92.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	146.9	165.2	56.6	167.2	0	0	0	112.1	M38 Y107 L113 W116 I117 V132 F197	M38-I129 HydrophobicContact CE-CG2 3.53Å; M38-I129 HydrophobicContact SD-CG2 4.39Å; Y107-I129 HydrophobicContact CD2-CD1 3.95Å; Y107-I129 HydrophobicContact CD2-CG1 3.99Å; Y107-I129 HydrophobicContact CE2-CG1 4.1Å; L113-I129 HydrophobicContact CB-CG2 3.91Å; L113-I129 HydrophobicContact CD1-CD1 4.45Å; L113-I129 HydrophobicContact CD1-CG2 4.13Å; W116-I129 CarbonylContact O-C 3.53Å; W116-I129 WeakPolarHBondContact O-CA 3.05Å; I117-I129 HydrophobicContact CG1-CG2 4.35Å; I129-V132 HydrophobicContact CB-CG2 3.77Å; I129-V132 HydrophobicContact CD1-CG2 3.86Å; I129-V132 HydrophobicContact CG1-CG2 4.34Å; I129-V132 HydrophobicContact CG2-CG2 4.16Å; I129-F197 HydrophobicContact CD1-CE1 4.41Å; I129-F197 HydrophobicContact CD1-CZ 4.43Å
130	L	97.6	Very high	92.5	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.178	24%	0.236	C	C	.	.			trans	-139.1	135.8	170.4	-70.7	179.2	0	0	0	111.2	W116 W118 R128 V132 H195 S196	W116-L130 WeakPolarHBondContact CB-O 2.96Å; W116-L130 PolarHBondContact O-N 3.15Å; W118-L130 HydrophobicContact CB-CD1 3.81Å; W118-L130 HydrophobicContact CB-CG 4.18Å; W118-L130 HydrophobicContact CD2-CD1 3.89Å; W118-L130 HydrophobicContact CE3-CD1 4.07Å; W118-L130 HydrophobicContact CG-CB 4.27Å; W118-L130 HydrophobicContact CG-CD1 3.78Å; W118-L130 HydrophobicContact CG-CG 4.3Å; R128-L130 HydrophobicContact CG-CG 4.29Å; L130-V132 VanDerWaalsContact C-N 3.27Å; L130-V132 PolarHBondContact O-N 3.13Å; L130-H195 CarbonylContact C-O 3.54Å; L130-H195 WeakPolarHBondContact CA-O 3.36Å; L130-S196 CarbonylContact C-O 3.57Å
131	N	98.3	Very high	93.3	Very high	77 Å²	77	52.7 Å²	52.7	41%	0.412	25%	0.254	S	S	.	.	S	Bend	trans	55.2	36.1	175.4	-54.8	-48.6	0	0	0	114.6	H195 S196 K198	N131-H195 PolarHBondContact N-O 3.43Å; N131-S196 PolarHBondContact N-O 3.48Å; N131-S196 VanDerWaalsContact N-O 3.11Å; N131-K198 HydrophobicContact CB-CB 4.04Å
132	V	98.8	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.4	171.5	173	0	0	0	0	108.8	L113 W116 I129 L130 L134 S196 F197 K198 I210	L113-V132 HydrophobicContact CD2-CG1 3.96Å; L113-V132 HydrophobicContact CD2-CG2 4.19Å; W116-V132 HydrophobicContact CB-CG2 3.51Å; W116-V132 HydrophobicContact CD2-CB 4.47Å; W116-V132 HydrophobicContact CD2-CG2 4.04Å; W116-V132 HydrophobicContact CE3-CG1 4.42Å; W116-V132 HydrophobicContact CE3-CG2 4.13Å; W116-V132 HydrophobicContact CG-CB 4.38Å; W116-V132 HydrophobicContact CG-CG2 3.76Å; I129-V132 HydrophobicContact CB-CG2 3.77Å; I129-V132 HydrophobicContact CD1-CG2 3.86Å; I129-V132 HydrophobicContact CG1-CG2 4.34Å; I129-V132 HydrophobicContact CG2-CG2 4.16Å; L130-V132 VanDerWaalsContact C-N 3.27Å; L130-V132 PolarHBondContact O-N 3.13Å; V132-L134 VanDerWaalsContact C-N 3.31Å; V132-L134 PolarHBondContact O-N 3.47Å; V132-S196 PolarHBondContact N-O 2.8Å; V132-F197 HydrophobicContact CB-CD1 3.64Å; V132-F197 HydrophobicContact CB-CE1 4.01Å; V132-F197 HydrophobicContact CG1-CD1 3.8Å; V132-F197 HydrophobicContact CG1-CE1 3.86Å; V132-F197 WeakPolarHBondContact O-CA 3.41Å; V132-K198 PolarHBondContact O-N 3.01Å; V132-I210 HydrophobicContact CG1-CB 3.85Å; V132-I210 HydrophobicContact CG1-CG1 3.75Å; V132-I210 HydrophobicContact CG1-CG2 4.1Å
133	P	98.7	Very high	95.2	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.078	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	79	-174.2	31.7	-36.2	0	0	0	110.2	W116 C135 K198 C209 I210 Y229	W116-P133 HydrophobicContact CH2-CG 4.02Å; W116-P133 HydrophobicContact CZ2-CG 3.38Å; P133-C135 PolarHBondContact O-N 3.23Å; P133-K198 CarbonylContact C-O 3.18Å; P133-K198 VanDerWaalsContact CA-O 3.23Å; P133-K198 WeakPolarHBondContact CA-O 3.49Å; P133-C209 CarbonylContact O-C 3.54Å; P133-C209 WeakPolarHBondContact O-CA 3.01Å; P133-C209 VanDerWaalsContact O-CB 3.27Å; P133-C209 WeakPolarHBondContact O-CB 3.44Å; P133-I210 HydrophobicContact CG-CG1 4.46Å; P133-I210 PolarHBondContact O-N 3.05Å; P133-Y229 HydrophobicContact CG-CE2 3.89Å
134	L	98.9	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.2	179.9	-175.5	63.8	0	0	0	109.8	V132 D138 C139 C189 F197 K198 S200 M212	V132-L134 VanDerWaalsContact C-N 3.31Å; V132-L134 PolarHBondContact O-N 3.47Å; L134-D138 HydrophobicContact CD1-CB 3.98Å; L134-D138 HydrophobicContact CG-CB 4.25Å; L134-C139 HydrophobicContact CD2-CB 3.9Å; L134-C139 HydrophobicContact CG-CB 4.43Å; L134-C189 HydrophobicContact CD2-CB 4.12Å; L134-F197 HydrophobicContact CB-CB 4.22Å; L134-F197 HydrophobicContact CB-CD1 3.87Å; L134-F197 HydrophobicContact CB-CG 4.21Å; L134-F197 HydrophobicContact CD1-CD1 4.48Å; L134-F197 HydrophobicContact CD1-CE1 4.43Å; L134-F197 HydrophobicContact CD2-CD1 4.47Å; L134-F197 HydrophobicContact CD2-CG 4.32Å; L134-K198 PolarHBondContact N-O 3.23Å; L134-K198 VanDerWaalsContact N-O 3.11Å; L134-S200 VanDerWaalsContact O-CB 3.28Å; L134-S200 WeakPolarHBondContact O-CB 3.24Å; L134-S200 PolarHBondContact O-N 2.78Å; L134-M212 HydrophobicContact CD1-CB 4.16Å
135	C	98.8	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.			trans	-58.8	144.8	177	-66.8	0	0	0	0	111.5	P133 E137 D138 C139 C209 I210 Q211	P133-C135 PolarHBondContact O-N 3.23Å; C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.98Å; C135-D138 PolarHBondContact O-N 3.2Å; C135-C139 PolarHBondContact O-N 3.32Å; C135-C209 WeakPolarHBondContact CA-SG 3.44Å; C135-C209 HydrophobicContact CB-CB 3.9Å; C135-C209 WeakPolarHBondContact CB-SG 3.4Å; C135-C209 WeakPolarHBondContact SG-CB 3.44Å; C135-C209 PolarHBondContact SG-O 3.11Å; C135-C209 VanDerWaalsContact SG-O 3.34Å; C135-C209 CovalentContact SG-SG 2.04Å; C135-C209 PolarHBondContact SG-SG 2.82Å; C135-I210 PolarHBondContact N-O 3.07Å; C135-I210 PolarHBondContact SG-O 3.32Å; C135-I210 VanDerWaalsContact SG-O 3.41Å; C135-Q211 HydrophobicContact CB-CG 4.37Å; C135-Q211 WeakPolarHBondContact SG-CG 3.41Å
136	K	98.4	Very high	97.9	Very high	83 Å²	83	39.4 Å²	39.4	36%	0.361	18%	0.179	S	C	.	.	H	α-helix	trans	-54	-50.2	-176	-178.3	-177.4	168.1	-173.4	0	111.7	D138 C139 E140 S200 Y202	K136-D138 PolarHBondContact O-N 3.12Å; K136-C139 PolarHBondContact O-N 3.38Å; K136-E140 VanDerWaalsContact CE-CD 3.4Å; K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 WeakPolarHBondContact CE-OE2 3.29Å; K136-E140 HydrophobicContact CG-CG 4.31Å; K136-E140 IonicContact NZ-OE1 2.7Å; K136-E140 WeakPolarHBondContact O-CG 3.28Å; K136-E140 PolarHBondContact O-N 3.48Å; K136-S200 WeakPolarHBondContact CB-O 3.21Å; K136-Y202 PolarHBondContact N-O 2.95Å
137	E	98.6	Very high	98	Very high	68 Å²	68	38.9 Å²	38.9	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-68.9	-35	-173.6	-59.4	74.6	-156.2	0	0	112.3	C135 C139 R141 S203 G204	C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.98Å; E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.96Å; E137-R141 WeakPolarHBondContact O-CB 3.37Å; E137-R141 PolarHBondContact O-N 3.25Å; E137-S203 WeakPolarHBondContact OE1-CA 3.28Å; E137-S203 WeakPolarHBondContact OE1-CB 3.01Å; E137-S203 PolarHBondContact OE1-OG 3.35Å; E137-S203 WeakPolarHBondContact OE2-CA 3.48Å; E137-G204 PolarHBondContact OE2-N 3.47Å
138	D	98.8	Very high	97.8	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.08	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-41.3	174.9	-74.8	50.6	0	0	0	111.1	L134 C135 K136 W142 M212 W213	L134-D138 HydrophobicContact CD1-CB 3.98Å; L134-D138 HydrophobicContact CG-CB 4.25Å; C135-D138 PolarHBondContact O-N 3.2Å; K136-D138 PolarHBondContact O-N 3.12Å; D138-W142 WeakPolarHBondContact O-CB 3.32Å; D138-W142 PolarHBondContact O-N 3.03Å; D138-W142 VanDerWaalsContact O-N 3.16Å; D138-M212 WeakPolarHBondContact OD2-CA 3.47Å; D138-M212 WeakPolarHBondContact OD2-CB 3.39Å; D138-M212 PolarHBondContact OD2-N 3.18Å; D138-W213 PolarHBondContact OD2-N 2.74Å
139	C	98.8	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.8	-46.8	177.5	-178.8	0	0	0	0	112.5	L134 C135 K136 E137 R141 W142 W143 P185 C189 V199	L134-C139 HydrophobicContact CD2-CB 3.9Å; L134-C139 HydrophobicContact CG-CB 4.43Å; C135-C139 PolarHBondContact O-N 3.32Å; K136-C139 PolarHBondContact O-N 3.38Å; E137-C139 VanDerWaalsContact C-N 3.31Å; E137-C139 PolarHBondContact O-N 2.96Å; C139-R141 VanDerWaalsContact C-N 3.32Å; C139-R141 PolarHBondContact O-N 2.87Å; C139-W142 PolarHBondContact O-N 2.88Å; C139-W143 PolarHBondContact O-N 3.11Å; C139-P185 PolarHBondContact SG-O 2.81Å; C139-C189 WeakPolarHBondContact CA-SG 3.39Å; C139-C189 HydrophobicContact CB-CB 4.09Å; C139-C189 WeakPolarHBondContact CB-SG 3.41Å; C139-C189 WeakPolarHBondContact SG-CB 3.32Å; C139-C189 CovalentContact SG-SG 2.04Å; C139-C189 PolarHBondContact SG-SG 3.11Å; C139-V199 HydrophobicContact CB-CG1 4.15Å; C139-V199 HydrophobicContact CB-CG2 4.09Å; C139-V199 WeakPolarHBondContact SG-CG2 3.36Å
140	E	98.8	Very high	98	Very high	83 Å²	83	47 Å²	47	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-43.5	178.6	-73.7	177.9	157.6	0	0	111.4	K136 W143 E144 P185	K136-E140 VanDerWaalsContact CE-CD 3.4Å; K136-E140 WeakPolarHBondContact CE-OE1 3.45Å; K136-E140 WeakPolarHBondContact CE-OE2 3.29Å; K136-E140 HydrophobicContact CG-CG 4.31Å; K136-E140 IonicContact NZ-OE1 2.7Å; K136-E140 WeakPolarHBondContact O-CG 3.28Å; K136-E140 PolarHBondContact O-N 3.48Å; E140-W143 PolarHBondContact O-N 3.3Å; E140-E144 PolarHBondContact O-N 3.02Å; E140-P185 HydrophobicContact CG-CB 4.23Å; E140-P185 HydrophobicContact CG-CG 4.14Å
141	R	98.8	Very high	98	Very high	151 Å²	151	45.4 Å²	45.4	57%	0.57	21%	0.206	S	C	*	.	H	α-helix	trans	-68.2	-40.2	179.1	-168.1	168.6	-165.9	168.7	6.3	112.8	E137 C139 W143 E144 D145	E137-R141 WeakPolarHBondContact O-CB 3.37Å; E137-R141 PolarHBondContact O-N 3.25Å; C139-R141 VanDerWaalsContact C-N 3.32Å; C139-R141 PolarHBondContact O-N 2.87Å; R141-W143 VanDerWaalsContact C-N 3.32Å; R141-W143 PolarHBondContact O-N 2.88Å; R141-E144 PolarHBondContact O-N 3Å; R141-D145 WeakPolarHBondContact O-CB 3.03Å; R141-D145 PolarHBondContact O-N 2.72Å
142	W	98.8	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-47.4	173.7	-177.8	4.2	0	0	0	110.8	H99 F100 D103 D138 C139 C146 L188 L192 M212	H99-W142 HydrophobicContact CB-CB 4.09Å; H99-W142 HydrophobicContact CB-CD2 3.98Å; H99-W142 HydrophobicContact CB-CG 3.52Å; H99-W142 AromaticContact CG-CD1 3.68Å; H99-W142 AromaticContact CG-CG 3.82Å; F100-W142 AromaticContact CD1-CZ2 3.77Å; F100-W142 HydrophobicContact CD1-CZ2 3.77Å; F100-W142 AromaticContact CD2-NE1 3.94Å; F100-W142 AromaticContact CE1-CZ2 3.71Å; F100-W142 HydrophobicContact CE1-CZ2 3.71Å; F100-W142 HydrophobicContact CE2-CZ2 4.45Å; F100-W142 AromaticContact CE2-NE1 3.64Å; F100-W142 HydrophobicContact CG-CZ2 4.22Å; F100-W142 HydrophobicContact CZ-CZ2 4.05Å; F100-W142 AromaticContact CZ-NE1 3.89Å; D103-W142 HydrophobicContact CB-CH2 3.95Å; D103-W142 HydrophobicContact CB-CZ3 4.32Å; D138-W142 WeakPolarHBondContact O-CB 3.32Å; D138-W142 PolarHBondContact O-N 3.03Å; D138-W142 VanDerWaalsContact O-N 3.16Å; C139-W142 PolarHBondContact O-N 2.88Å; W142-C146 VanDerWaalsContact CD1-SG 3.54Å; W142-C146 WeakPolarHBondContact O-CB 3.41Å; W142-C146 PolarHBondContact O-N 2.96Å; W142-C146 VanDerWaalsContact O-N 3.15Å; W142-C146 PolarHBondContact O-SG 2.97Å; W142-L188 HydrophobicContact CD2-CD2 4.17Å; W142-L188 HydrophobicContact CG-CD2 3.95Å; W142-L192 HydrophobicContact CH2-CD2 3.59Å; W142-L192 HydrophobicContact CZ2-CD2 3.43Å; W142-L192 VanDerWaalsContact CZ2-CD2 3.43Å; W142-M212 HydrophobicContact CE3-CE 4.06Å; W142-M212 HydrophobicContact CZ3-CE 4.48Å
143	W	98.8	Very high	98	Very high	33 Å²	33	43.1 Å²	43.1	13%	0.125	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-46.6	179.5	-177.7	87.3	0	0	0	112.7	C139 E140 R141 C146 R147 E179 F182 T184 P185 L188	C139-W143 PolarHBondContact O-N 3.11Å; E140-W143 PolarHBondContact O-N 3.3Å; R141-W143 VanDerWaalsContact C-N 3.32Å; R141-W143 PolarHBondContact O-N 2.88Å; W143-C146 CarbonylContact O-C 3.57Å; W143-C146 PolarHBondContact O-N 2.96Å; W143-R147 HydrophobicContact CH2-CG 4.31Å; W143-R147 PolarHBondContact O-N 3.49Å; W143-E179 HydrophobicContact CZ2-CG 4.19Å; W143-F182 PolarHBondContact NE1-O 2.99Å; W143-T184 PolarHBondContact NE1-O 2.75Å; W143-P185 HydrophobicContact CB-CB 3.92Å; W143-P185 HydrophobicContact CB-CG 4.01Å; W143-P185 HydrophobicContact CD2-CG 3.97Å; W143-P185 HydrophobicContact CE3-CG 4.11Å; W143-P185 HydrophobicContact CG-CB 4.16Å; W143-P185 HydrophobicContact CG-CG 3.93Å; W143-L188 HydrophobicContact CB-CD2 3.95Å; W143-L188 HydrophobicContact CG-CD2 4.46Å
144	E	98.8	Very high	98	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-46.9	-179.5	-173.8	58.9	-142.7	0	0	111.7	E140 R141 C146 R147	E140-E144 PolarHBondContact O-N 3.02Å; R141-E144 PolarHBondContact O-N 3Å; E144-C146 PolarHBondContact O-N 3.43Å; E144-C146 VanDerWaalsContact O-N 3.16Å; E144-R147 VanDerWaalsContact O-CB 3.32Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 2.04Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-R147 IonicContact OE1-CZ 3.76Å; E144-R147 IonicContact OE1-NE 3Å; E144-R147 PolarHBondContact OE1-NE 3.11Å; E144-R147 IonicContact OE1-NH2 3.86Å; E144-R147 PolarHBondContact OE1-NH2 3.16Å; E144-R147 IonicContact OE2-NE 2.68Å
145	D	98.6	Very high	97.9	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-19.2	-179.6	-75	-9.6	0	0	0	112.4	A95 C96 R98 H99 R141	A95-D145 HydrophobicContact CB-CB 4.35Å; C96-D145 WeakPolarHBondContact CB-O 3.33Å; R98-D145 IonicContact CZ-OD2 3.59Å; R98-D145 IonicContact NE-OD2 2.6Å; R98-D145 IonicContact NH2-OD2 3.47Å; R98-D145 PolarHBondContact NH2-OD2 3.13Å; H99-D145 IonicContact CD2-OD2 3.17Å; H99-D145 IonicContact NE2-OD2 3.84Å; H99-D145 PolarHBondContact NE2-OD2 2.99Å; R141-D145 WeakPolarHBondContact O-CB 3.03Å; R141-D145 PolarHBondContact O-N 2.72Å
146	C	98.6	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-97.6	-10.5	175.1	-73.6	0	0	0	0	114.9	C96 W142 W143 E144 T148 S149 F178	C96-C146 WeakPolarHBondContact CA-SG 3.23Å; C96-C146 HydrophobicContact CB-CB 3.91Å; C96-C146 WeakPolarHBondContact CB-SG 3.32Å; C96-C146 WeakPolarHBondContact SG-CA 3.37Å; C96-C146 WeakPolarHBondContact SG-CB 3.47Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 2.89Å; W142-C146 VanDerWaalsContact CD1-SG 3.54Å; W142-C146 WeakPolarHBondContact O-CB 3.41Å; W142-C146 PolarHBondContact O-N 2.96Å; W142-C146 VanDerWaalsContact O-N 3.15Å; W142-C146 PolarHBondContact O-SG 2.97Å; W143-C146 CarbonylContact O-C 3.57Å; W143-C146 PolarHBondContact O-N 2.96Å; E144-C146 PolarHBondContact O-N 3.43Å; E144-C146 VanDerWaalsContact O-N 3.16Å; C146-T148 PolarHBondContact O-N 3.04Å; C146-S149 WeakPolarHBondContact O-CB 3.37Å; C146-S149 PolarHBondContact O-N 3.26Å; C146-F178 HydrophobicContact CB-CD1 3.89Å; C146-F178 HydrophobicContact CB-CE1 4.19Å; C146-F178 HydrophobicContact CB-CG 4.22Å; C146-F178 VanDerWaalsContact O-CB 3.29Å; C146-F178 WeakPolarHBondContact O-CB 3.07Å
147	R	94.6	Very high	97.6	Very high	92 Å²	92	46 Å²	46	35%	0.347	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38	-168	-173.4	169.5	57.3	91.2	1	113.9	W143 E144 E179	W143-R147 HydrophobicContact CH2-CG 4.31Å; W143-R147 PolarHBondContact O-N 3.49Å; E144-R147 VanDerWaalsContact O-CB 3.32Å; E144-R147 WeakPolarHBondContact O-CB 3.34Å; E144-R147 PolarHBondContact O-N 2.04Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-R147 IonicContact OE1-CZ 3.76Å; E144-R147 IonicContact OE1-NE 3Å; E144-R147 PolarHBondContact OE1-NE 3.11Å; E144-R147 IonicContact OE1-NH2 3.86Å; E144-R147 PolarHBondContact OE1-NH2 3.16Å; E144-R147 IonicContact OE2-NE 2.68Å; R147-E179 HydrophobicContact CG-CB 4.28Å
148	T	90	Very high	97.4	Very high	85 Å²	85	49.6 Å²	49.6	52%	0.521	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.2	-179.4	59.6	0	0	0	0	114.8	C146 Y150	C146-T148 PolarHBondContact O-N 3.04Å; T148-Y150 WeakPolarHBondContact O-CE2 3.48Å
149	S	97.3	Very high	97.2	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.028	25%	0.251	C	S	.	.	S	Bend	trans	-70.5	170.9	171.5	-70.4	0	0	0	0	110.6	E93 C146 T177 F178	E93-S149 PolarHBondContact N-OG 3.22Å; C146-S149 WeakPolarHBondContact O-CB 3.37Å; C146-S149 PolarHBondContact O-N 3.26Å; S149-T177 CarbonylContact O-C 3.48Å; S149-T177 WeakPolarHBondContact O-CA 3.33Å; S149-F178 VanDerWaalsContact C-CD2 3.49Å; S149-F178 WeakPolarHBondContact O-CD2 3.41Å; S149-F178 PolarHBondContact O-N 3.48Å
150	Y	98.4	Very high	97.2	Very high	125 Å²	125	52.2 Å²	52.2	49%	0.49	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147	-176.6	-68.4	-103.1	0	0	0	112.4	T148 R176 T177 F178	T148-Y150 WeakPolarHBondContact O-CE2 3.48Å; Y150-R176 CarbonylContact C-O 3.29Å; Y150-R176 WeakPolarHBondContact CA-O 3.49Å; Y150-R176 VanDerWaalsContact CD1-C 3.44Å; Y150-R176 WeakPolarHBondContact CD1-O 3.04Å; Y150-T177 HydrophobicContact CE1-CG2 4.07Å; Y150-F178 WeakPolarHBondContact O-CE2 3.4Å
151	T	98.7	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.3	170.1	-169.9	0	0	0	0	110.3	H88 K153 W156 C175 R176 F178 Y181 F182	H88-T151 PolarHBondContact NE2-OG1 3.45Å; T151-K153 PolarHBondContact OG1-N 2.87Å; T151-K153 PolarHBondContact OG1-O 2.78Å; T151-W156 VanDerWaalsContact OG1-CZ2 3.27Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.41Å; T151-W156 PolarHBondContact OG1-NE1 3.25Å; T151-C175 WeakPolarHBondContact O-CA 3.44Å; T151-R176 PolarHBondContact N-O 2.98Å; T151-R176 PolarHBondContact O-N 3.22Å; T151-R176 VanDerWaalsContact O-O 3.04Å; T151-F178 HydrophobicContact CG2-CD2 4.15Å; T151-F178 HydrophobicContact CG2-CE2 4.31Å; T151-F178 HydrophobicContact CG2-CG 4.44Å; T151-Y181 HydrophobicContact CG2-CD2 3.71Å; T151-Y181 HydrophobicContact CG2-CG 3.92Å; T151-Y181 VanDerWaalsContact O-CE2 3.24Å; T151-Y181 WeakPolarHBondContact O-CE2 3.35Å; T151-F182 HydrophobicContact CG2-CE2 4.06Å
152	C	98.6	Very high	97	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	24%	0.243	C	C	.	.	S	Bend	trans	-118.5	2.5	175.9	57.8	0	0	0	0	112.6	C89 C169 A173 Y181	C89-C152 PolarHBondContact SG-N 2.85Å; C152-C169 HydrophobicContact CB-CB 3.83Å; C152-C169 WeakPolarHBondContact CB-SG 3.41Å; C152-C169 VanDerWaalsContact SG-CA 3.5Å; C152-C169 WeakPolarHBondContact SG-CB 3.13Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 3.24Å; C152-A173 HydrophobicContact CB-CB 4.05Å; C152-Y181 WeakPolarHBondContact O-CE1 3.31Å; C152-Y181 VanDerWaalsContact O-CZ 3.23Å; C152-Y181 PolarHBondContact O-OH 3.03Å
153	K	98.5	Very high	96.9	Very high	27 Å²	27	55.2 Å²	55.2	12%	0.117	28%	0.281	C	S	.	.			trans	-146.8	142	-173.7	-68.8	171.2	56.5	62.5	0	111.8	T151 N155 W156 K158 G159 W160 P170	T151-K153 PolarHBondContact OG1-N 2.87Å; T151-K153 PolarHBondContact OG1-O 2.78Å; K153-N155 WeakPolarHBondContact CE-O 3.21Å; K153-N155 PolarHBondContact NZ-O 3.21Å; K153-W156 PolarHBondContact O-NE1 3.49Å; K153-K158 VanDerWaalsContact CE-O 3.3Å; K153-K158 WeakPolarHBondContact CE-O 3.42Å; K153-K158 PolarHBondContact NZ-O 3.41Å; K153-G159 WeakPolarHBondContact CE-O 3.41Å; K153-G159 PolarHBondContact NZ-O 2.98Å; K153-W160 HydrophobicContact CD-CD2 3.68Å; K153-W160 HydrophobicContact CD-CE3 3.6Å; K153-W160 HydrophobicContact CD-CG 4.37Å; K153-W160 HydrophobicContact CD-CH2 3.94Å; K153-W160 HydrophobicContact CD-CZ2 4.02Å; K153-W160 HydrophobicContact CD-CZ3 3.74Å; K153-P170 HydrophobicContact CD-CG 4.34Å
154	S	98	Very high	96.7	Very high	63 Å²	63	56.8 Å²	56.8	44%	0.441	30%	0.297	S	S	.	.	S	Bend	trans	-92.8	-1.8	171	53.4	0	0	0	0	114.1	F182 G191	S154-F182 VanDerWaalsContact O-CE1 3.31Å; S154-F182 WeakPolarHBondContact O-CE1 3.36Å; S154-G191 CarbonylContact O-C 3.51Å
155	N	98.1	Very high	96.4	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	30%	0.298	C	S	.	.			trans	-138.9	113.8	175.1	-176.4	-39.7	0	0	0	109.3	K153 H157 S194	K153-N155 WeakPolarHBondContact CE-O 3.21Å; K153-N155 PolarHBondContact NZ-O 3.21Å; N155-H157 PolarHBondContact OD1-N 2.72Å; N155-S194 VanDerWaalsContact CG-OG 3.29Å; N155-S194 PolarHBondContact ND2-OG 2.99Å; N155-S194 PolarHBondContact OD1-OG 3.04Å; N155-S194 VanDerWaalsContact OD1-OG 3.05Å
156	W	97.6	Very high	96.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.015	30%	0.303	C	S	.	.	S	Bend	trans	-98.2	-3.5	-173.1	-72.8	22.8	0	0	0	113.2	F84 W86 H88 M92 F100 T151 K153 W160 F178 L192 W193	F84-W156 AromaticContact CE1-CE3 3.58Å; F84-W156 HydrophobicContact CE1-CE3 3.58Å; F84-W156 AromaticContact CE1-CZ3 3.79Å; F84-W156 HydrophobicContact CE1-CZ3 3.79Å; F84-W156 HydrophobicContact CZ-CB 4.24Å; F84-W156 AromaticContact CZ-CD2 4Å; F84-W156 HydrophobicContact CZ-CD2 4Å; F84-W156 AromaticContact CZ-CE3 3.42Å; F84-W156 HydrophobicContact CZ-CE3 3.42Å; F84-W156 VanDerWaalsContact CZ-CE3 3.42Å; F84-W156 HydrophobicContact CZ-CG 4.38Å; F84-W156 HydrophobicContact CZ-CZ3 4.1Å; W86-W156 HydrophobicContact CE3-CE3 4.48Å; W86-W156 AromaticContact CE3-CZ3 3.71Å; W86-W156 HydrophobicContact CE3-CZ3 3.71Å; W86-W156 HydrophobicContact CZ3-CE3 4.11Å; W86-W156 AromaticContact CZ3-CZ3 3.7Å; W86-W156 HydrophobicContact CZ3-CZ3 3.7Å; H88-W156 AromaticContact CE1-CE2 3.94Å; H88-W156 AromaticContact CE1-CH2 3.38Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.46Å; H88-W156 AromaticContact CE1-CZ2 3.28Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.39Å; H88-W156 AromaticContact NE2-CZ2 3.63Å; M92-W156 HydrophobicContact CE-CH2 3.86Å; F100-W156 AromaticContact CD1-CZ3 3.96Å; F100-W156 HydrophobicContact CD1-CZ3 3.96Å; F100-W156 AromaticContact CE1-CE3 3.82Å; F100-W156 HydrophobicContact CE1-CE3 3.82Å; F100-W156 AromaticContact CE1-CH2 3.74Å; F100-W156 HydrophobicContact CE1-CH2 3.74Å; F100-W156 AromaticContact CE1-CZ3 3.23Å; F100-W156 HydrophobicContact CE1-CZ3 3.23Å; F100-W156 HydrophobicContact CE2-CH2 4.32Å; F100-W156 HydrophobicContact CE2-CZ3 4.47Å; F100-W156 HydrophobicContact CZ-CE3 4.43Å; F100-W156 AromaticContact CZ-CH2 3.54Å; F100-W156 HydrophobicContact CZ-CH2 3.54Å; F100-W156 HydrophobicContact CZ-CZ2 4.39Å; F100-W156 AromaticContact CZ-CZ3 3.57Å; F100-W156 HydrophobicContact CZ-CZ3 3.57Å; T151-W156 VanDerWaalsContact OG1-CZ2 3.27Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.41Å; T151-W156 PolarHBondContact OG1-NE1 3.25Å; K153-W156 PolarHBondContact O-NE1 3.49Å; W156-W160 HydrophobicContact CB-CZ2 3.97Å; W156-W160 AromaticContact CD1-CZ2 3.65Å; W156-W160 HydrophobicContact CD2-CH2 4.38Å; W156-W160 AromaticContact CD2-CZ2 3.78Å; W156-W160 HydrophobicContact CD2-CZ2 3.78Å; W156-W160 HydrophobicContact CE3-CZ2 4.47Å; W156-W160 HydrophobicContact CG-CH2 4.42Å; W156-W160 AromaticContact CG-CZ2 3.53Å; W156-W160 HydrophobicContact CG-CZ2 3.53Å; W156-W160 AromaticContact NE1-CZ2 3.98Å; W156-W160 PolarHBondContact O-NE1 3.47Å; W156-F178 HydrophobicContact CH2-CE1 4.49Å; W156-F178 HydrophobicContact CH2-CE2 4.49Å; W156-F178 AromaticContact CH2-CZ 3.68Å; W156-F178 HydrophobicContact CH2-CZ 3.68Å; W156-F178 HydrophobicContact CZ2-CE1 4.31Å; W156-F178 HydrophobicContact CZ2-CE2 4.32Å; W156-F178 AromaticContact CZ2-CZ 3.64Å; W156-F178 HydrophobicContact CZ2-CZ 3.64Å; W156-L192 HydrophobicContact CB-CD1 4.11Å; W156-L192 HydrophobicContact CB-CG 4.47Å; W156-L192 HydrophobicContact CD2-CD1 3.38Å; W156-L192 HydrophobicContact CD2-CG 4.43Å; W156-L192 HydrophobicContact CE3-CD1 3.81Å; W156-L192 HydrophobicContact CG-CD1 3.5Å; W156-L192 HydrophobicContact CG-CG 4.36Å; W156-L192 HydrophobicContact CZ2-CD1 4.19Å; W156-L192 HydrophobicContact CZ3-CD1 4.37Å; W156-L192 PolarHBondContact N-O 2.87Å; W156-W193 HydrophobicContact CB-CE3 4.02Å; W156-W193 HydrophobicContact CB-CH2 4Å; W156-W193 HydrophobicContact CB-CZ3 3.58Å; W156-W193 HydrophobicContact CE3-CH2 4.1Å; W156-W193 HydrophobicContact CE3-CZ2 4.35Å
157	H	93.5	Very high	96.1	Very high	53 Å²	53	55.8 Å²	55.8	25%	0.245	30%	0.303	C	S	.	.	S	Bend	trans	-76.7	-24.2	173.6	-96.6	149	0	0	0	113.7	R128 N155 W193 S194	R128-H157 PolarHBondContact NH2-CE1 2.77Å; N155-H157 PolarHBondContact OD1-N 2.72Å; H157-W193 AromaticContact CD2-CE3 3.87Å; H157-W193 PolarHBondContact CE1-O 3.2Å; H157-W193 PolarHBondContact ND1-O 3.41Å; H157-S194 WeakPolarHBondContact CB-OG 3.33Å
158	K	93.1	Very high	96.2	Very high	144 Å²	144	54.9 Å²	54.9	63%	0.626	30%	0.302	S	S	*	.	S	Bend	trans	-150.5	158.8	-171.9	61.8	-179.5	177.6	179.9	0	113.4	K153	K153-K158 VanDerWaalsContact CE-O 3.3Å; K153-K158 WeakPolarHBondContact CE-O 3.42Å; K153-K158 PolarHBondContact NZ-O 3.41Å
159	G	95.7	Very high	96.6	Very high	52 Å²	52	52.3 Å²	52.3	54%	0.536	29%	0.288	S	S	.	.			trans	74.1	32	173	0	0	0	0	0	114	K153 P170	K153-G159 WeakPolarHBondContact CE-O 3.41Å; K153-G159 PolarHBondContact NZ-O 2.98Å; G159-P170 WeakPolarHBondContact O-CG 3.36Å
160	W	97.5	Very high	96.6	Very high	18 Å²	18	54 Å²	54	7%	0.068	30%	0.299	C	S	.	.			trans	-84.4	155.7	163.9	-66.3	105.3	0	0	0	110.1	F84 H88 K153 W156 W162 N167	F84-W160 HydrophobicContact CE2-CZ2 4.22Å; F84-W160 AromaticContact CE2-NE1 3.72Å; F84-W160 HydrophobicContact CZ-CH2 4.49Å; F84-W160 AromaticContact CZ-CZ2 3.7Å; F84-W160 HydrophobicContact CZ-CZ2 3.7Å; H88-W160 HydrophobicContact CB-CH2 4.48Å; H88-W160 HydrophobicContact CB-CZ3 4.07Å; H88-W160 AromaticContact CD2-CH2 3.62Å; H88-W160 AromaticContact CD2-CZ3 3.74Å; H88-W160 AromaticContact CE1-CH2 3.83Å; H88-W160 AromaticContact CG-CH2 3.69Å; H88-W160 AromaticContact CG-CZ3 3.72Å; H88-W160 AromaticContact ND1-CH2 3.79Å; H88-W160 AromaticContact NE2-CH2 3.7Å; K153-W160 HydrophobicContact CD-CD2 3.68Å; K153-W160 HydrophobicContact CD-CE3 3.6Å; K153-W160 HydrophobicContact CD-CG 4.37Å; K153-W160 HydrophobicContact CD-CH2 3.94Å; K153-W160 HydrophobicContact CD-CZ2 4.02Å; K153-W160 HydrophobicContact CD-CZ3 3.74Å; W156-W160 HydrophobicContact CB-CZ2 3.97Å; W156-W160 AromaticContact CD1-CZ2 3.65Å; W156-W160 HydrophobicContact CD2-CH2 4.38Å; W156-W160 AromaticContact CD2-CZ2 3.78Å; W156-W160 HydrophobicContact CD2-CZ2 3.78Å; W156-W160 HydrophobicContact CE3-CZ2 4.47Å; W156-W160 HydrophobicContact CG-CH2 4.42Å; W156-W160 AromaticContact CG-CZ2 3.53Å; W156-W160 HydrophobicContact CG-CZ2 3.53Å; W156-W160 AromaticContact NE1-CZ2 3.98Å; W156-W160 PolarHBondContact O-NE1 3.47Å; W160-W162 HydrophobicContact CB-CZ2 4.33Å; W160-W162 HydrophobicContact CG-CZ2 4.48Å; W160-N167 HydrophobicContact CB-CB 3.77Å; W160-N167 HydrophobicContact CD2-CB 3.66Å; W160-N167 HydrophobicContact CE3-CB 3.81Å; W160-N167 HydrophobicContact CG-CB 3.65Å
161	N	97.6	Very high	96.4	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-82.3	129.6	161.8	-178.7	8.3	0	0	0	108.8	T163 N167 E168	N161-T163 WeakPolarHBondContact OD1-CB 3.28Å; N161-T163 PolarHBondContact OD1-N 3.19Å; N161-T163 VanDerWaalsContact OD1-N 3.08Å; N161-T163 PolarHBondContact OD1-OG1 3.47Å; N161-N167 CarbonylContact O-C 3.58Å; N161-N167 WeakPolarHBondContact O-CA 3.32Å; N161-E168 HydrophobicContact CB-CB 4.23Å; N161-E168 PolarHBondContact N-O 3.24Å; N161-E168 PolarHBondContact O-N 3.18Å
162	W	95.6	Very high	96.2	Very high	113 Å²	113	64.2 Å²	64.2	43%	0.428	36%	0.357	S	S	.	.			trans	-118.7	10.2	-178.4	-66.7	97.2	0	0	0	113.1	N83 F84 W160 S164 G165 I166 N167	N83-W162 HydrophobicContact CB-CZ3 4.49Å; F84-W162 HydrophobicContact CD2-CH2 4.33Å; W160-W162 HydrophobicContact CB-CZ2 4.33Å; W160-W162 HydrophobicContact CG-CZ2 4.48Å; W162-S164 PolarHBondContact O-N 3.39Å; W162-S164 VanDerWaalsContact O-N 3.17Å; W162-G165 PolarHBondContact O-N 3.17Å; W162-I166 VanDerWaalsContact CE3-C 3.43Å; W162-N167 HydrophobicContact CD2-CB 4.31Å; W162-N167 HydrophobicContact CE3-CB 4.17Å; W162-N167 HydrophobicContact CH2-CB 3.7Å; W162-N167 HydrophobicContact CZ2-CB 3.84Å; W162-N167 HydrophobicContact CZ3-CB 3.87Å; W162-N167 VanDerWaalsContact CZ3-N 3.34Å
163	T	96.9	Very high	96.1	Very high	129 Å²	129	65.4 Å²	65.4	79%	0.791	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.4	-173.6	-62.4	0	0	0	0	113.4	N161 G165	N161-T163 WeakPolarHBondContact OD1-CB 3.28Å; N161-T163 PolarHBondContact OD1-N 3.19Å; N161-T163 VanDerWaalsContact OD1-N 3.08Å; N161-T163 PolarHBondContact OD1-OG1 3.47Å; T163-G165 VanDerWaalsContact C-N 3.33Å
164	S	94.3	Very high	96.1	Very high	66 Å²	66	69.2 Å²	69.2	46%	0.462	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.9	177	60.7	0	0	0	0	114.4	W162 E168	W162-S164 PolarHBondContact O-N 3.39Å; W162-S164 VanDerWaalsContact O-N 3.17Å; S164-E168 VanDerWaalsContact CB-OE1 3.24Å; S164-E168 WeakPolarHBondContact CB-OE1 3.09Å; S164-E168 PolarHBondContact OG-OE1 3.38Å
165	G	93.1	Very high	96.1	Very high	41 Å²	41	69.3 Å²	69.3	42%	0.423	39%	0.388	S	S	.	.	S	Bend	trans	91.9	-10.1	-176.8	0	0	0	0	0	115	N83 W162 T163	N83-G165 WeakPolarHBondContact CB-O 3.33Å; W162-G165 PolarHBondContact O-N 3.17Å; T163-G165 VanDerWaalsContact C-N 3.33Å
166	I	94.5	Very high	96.1	Very high	63 Å²	63	74.2 Å²	74.2	32%	0.323	40%	0.404	S	S	.	.	S	Bend	trans	-120.5	165.3	170.3	59.4	171.2	0	0	0	109.8	N83 N85 W162	N83-I166 HydrophobicContact CB-CG2 4.37Å; N83-I166 WeakPolarHBondContact O-CA 3.22Å; N85-I166 HydrophobicContact CB-CB 4.48Å; N85-I166 HydrophobicContact CB-CD1 4.25Å; W162-I166 VanDerWaalsContact CE3-C 3.43Å
167	N	95.7	Very high	96.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.414	C	S	.	.			trans	-74.8	130.8	175.2	60.3	-68.1	0	0	0	112.1	F84 N85 W160 N161 W162	F84-N167 WeakPolarHBondContact CA-OD1 3.48Å; N85-N167 PolarHBondContact N-OD1 3.18Å; N85-N167 PolarHBondContact O-ND2 3.49Å; W160-N167 HydrophobicContact CB-CB 3.77Å; W160-N167 HydrophobicContact CD2-CB 3.66Å; W160-N167 HydrophobicContact CE3-CB 3.81Å; W160-N167 HydrophobicContact CG-CB 3.65Å; N161-N167 CarbonylContact O-C 3.58Å; N161-N167 WeakPolarHBondContact O-CA 3.32Å; W162-N167 HydrophobicContact CD2-CB 4.31Å; W162-N167 HydrophobicContact CE3-CB 4.17Å; W162-N167 HydrophobicContact CH2-CB 3.7Å; W162-N167 HydrophobicContact CZ2-CB 3.84Å; W162-N167 HydrophobicContact CZ3-CB 3.87Å; W162-N167 VanDerWaalsContact CZ3-N 3.34Å
168	E	97.2	Very high	96.4	Very high	73 Å²	73	73.5 Å²	73.5	34%	0.341	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-126.4	154.6	174.1	-68.3	175.2	178.6	0	0	110.4	N161 S164	N161-E168 HydrophobicContact CB-CB 4.23Å; N161-E168 PolarHBondContact N-O 3.24Å; N161-E168 PolarHBondContact O-N 3.18Å; S164-E168 VanDerWaalsContact CB-OE1 3.24Å; S164-E168 WeakPolarHBondContact CB-OE1 3.09Å; S164-E168 PolarHBondContact OG-OE1 3.38Å
169	C	98.3	Very high	96.6	Very high	31 Å²	31	70.8 Å²	70.8	21%	0.209	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-56.2	127.5	174	-66	0	0	0	0	110.4	H88 C89 C152	H88-C169 PolarHBondContact O-SG 3.03Å; C89-C169 VanDerWaalsContact SG-SG 3.62Å; C152-C169 HydrophobicContact CB-CB 3.83Å; C152-C169 WeakPolarHBondContact CB-SG 3.41Å; C152-C169 VanDerWaalsContact SG-CA 3.5Å; C152-C169 WeakPolarHBondContact SG-CB 3.13Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 3.24Å
170	P	97.5	Very high	96.7	Very high	40 Å²	40	71.5 Å²	71.5	26%	0.26	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-66.5	161.4	177.2	30	-36.1	0	0	0	110.3	K153 G159 R172 A173	K153-P170 HydrophobicContact CD-CG 4.34Å; G159-P170 WeakPolarHBondContact O-CG 3.36Å; P170-R172 PolarHBondContact O-N 2.98Å; P170-A173 HydrophobicContact CG-CB 3.71Å; P170-A173 WeakPolarHBondContact O-CB 3.47Å; P170-A173 PolarHBondContact O-N 3.33Å
171	A	95.1	Very high	96.8	Very high	96 Å²	96	73.4 Å²	73.4	79%	0.793	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	133.4	179.2	0	0	0	0	0	111.4	A173	A171-A173 PolarHBondContact O-N 3.26Å
172	R	93.9	Very high	96.8	Very high	244 Å²	244	70.8 Å²	70.8	92%	0.921	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-0.5	-179.3	-47.3	174.4	-179.1	172.4	-0.7	115.9	P170 L174	P170-R172 PolarHBondContact O-N 2.98Å; R172-L174 PolarHBondContact O-N 3.03Å
173	A	97.2	Very high	96.9	Very high	27 Å²	27	69.5 Å²	69.5	22%	0.223	39%	0.389	C	S	.	.			trans	-78.9	108.4	168.9	0	0	0	0	0	109.6	C152 P170 A171	C152-A173 HydrophobicContact CB-CB 4.05Å; P170-A173 HydrophobicContact CG-CB 3.71Å; P170-A173 WeakPolarHBondContact O-CB 3.47Å; P170-A173 PolarHBondContact O-N 3.33Å; A171-A173 PolarHBondContact O-N 3.26Å
174	L	97.6	Very high	97	Very high	107 Å²	107	66.6 Å²	66.6	56%	0.56	37%	0.371	S	S	*	.			trans	-83.8	135.4	-176.2	-62	175.1	0	0	0	110.9	R172 R176 Y181	R172-L174 PolarHBondContact O-N 3.03Å; L174-R176 PolarHBondContact O-N 3Å; L174-Y181 PolarHBondContact O-OH 3.2Å
175	C	98.5	Very high	97.2	Very high	64 Å²	64	65.1 Å²	65.1	43%	0.432	36%	0.36	S	S	.	.			trans	-65.8	125.3	169.3	-68.3	0	0	0	0	110.5	C89 T151	C89-C175 WeakPolarHBondContact CA-SG 3.28Å; C89-C175 HydrophobicContact CB-CB 3.69Å; C89-C175 WeakPolarHBondContact CB-SG 3.42Å; C89-C175 VanDerWaalsContact SG-CA 3.54Å; C89-C175 WeakPolarHBondContact SG-CB 3.49Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 3.4Å; T151-C175 WeakPolarHBondContact O-CA 3.44Å
176	R	98.3	Very high	97.5	Very high	139 Å²	139	65 Å²	65	53%	0.525	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	172.3	174.6	-60	-173.4	174.2	-135.6	-2.2	109.2	Y150 T151 L174 Y181	Y150-R176 CarbonylContact C-O 3.29Å; Y150-R176 WeakPolarHBondContact CA-O 3.49Å; Y150-R176 VanDerWaalsContact CD1-C 3.44Å; Y150-R176 WeakPolarHBondContact CD1-O 3.04Å; T151-R176 PolarHBondContact N-O 2.98Å; T151-R176 PolarHBondContact O-N 3.22Å; T151-R176 VanDerWaalsContact O-O 3.04Å; L174-R176 PolarHBondContact O-N 3Å; R176-Y181 HydrophobicContact CB-CD2 4.14Å; R176-Y181 HydrophobicContact CB-CE2 3.82Å; R176-Y181 HydrophobicContact CG-CE2 4.17Å
177	T	98.1	Very high	97.7	Very high	39 Å²	39	63.5 Å²	63.5	24%	0.239	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	151	175.4	57.9	0	0	0	0	110.4	S149 Y150 E179 S180	S149-T177 CarbonylContact O-C 3.48Å; S149-T177 WeakPolarHBondContact O-CA 3.33Å; Y150-T177 HydrophobicContact CE1-CG2 4.07Å; T177-E179 PolarHBondContact O-N 2.82Å; T177-S180 VanDerWaalsContact O-CB 3.28Å; T177-S180 WeakPolarHBondContact O-CB 3.45Å; T177-S180 PolarHBondContact O-N 3.5Å; T177-S180 PolarHBondContact OG1-N 3.15Å; T177-S180 PolarHBondContact OG1-OG 3.12Å
178	F	98.1	Very high	97.8	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-52.4	-43.1	172.7	-102.9	-110.2	0	0	0	111.4	M92 F100 C146 S149 Y150 T151 W156 S180 Y181 F182 L188	M92-F178 HydrophobicContact CE-CE2 4.3Å; M92-F178 HydrophobicContact CE-CZ 4.08Å; F100-F178 HydrophobicContact CE2-CE1 4.2Å; F100-F178 HydrophobicContact CE2-CZ 4.01Å; F100-F178 AromaticContact CZ-CE1 3.82Å; F100-F178 HydrophobicContact CZ-CE1 3.82Å; F100-F178 AromaticContact CZ-CZ 3.79Å; F100-F178 HydrophobicContact CZ-CZ 3.79Å; C146-F178 HydrophobicContact CB-CD1 3.89Å; C146-F178 HydrophobicContact CB-CE1 4.19Å; C146-F178 HydrophobicContact CB-CG 4.22Å; C146-F178 VanDerWaalsContact O-CB 3.29Å; C146-F178 WeakPolarHBondContact O-CB 3.07Å; S149-F178 VanDerWaalsContact C-CD2 3.49Å; S149-F178 WeakPolarHBondContact O-CD2 3.41Å; S149-F178 PolarHBondContact O-N 3.48Å; Y150-F178 WeakPolarHBondContact O-CE2 3.4Å; T151-F178 HydrophobicContact CG2-CD2 4.15Å; T151-F178 HydrophobicContact CG2-CE2 4.31Å; T151-F178 HydrophobicContact CG2-CG 4.44Å; W156-F178 HydrophobicContact CH2-CE1 4.49Å; W156-F178 HydrophobicContact CH2-CE2 4.49Å; W156-F178 AromaticContact CH2-CZ 3.68Å; W156-F178 HydrophobicContact CH2-CZ 3.68Å; W156-F178 HydrophobicContact CZ2-CE1 4.31Å; W156-F178 HydrophobicContact CZ2-CE2 4.32Å; W156-F178 AromaticContact CZ2-CZ 3.64Å; W156-F178 HydrophobicContact CZ2-CZ 3.64Å; F178-S180 PolarHBondContact O-N 2.82Å; F178-Y181 CarbonylContact O-C 3.59Å; F178-Y181 PolarHBondContact O-N 3.36Å; F178-F182 AromaticContact CD1-CD2 3.65Å; F178-F182 HydrophobicContact CD1-CD2 3.65Å; F178-F182 AromaticContact CD1-CE2 3.94Å; F178-F182 HydrophobicContact CD1-CE2 3.94Å; F178-F182 HydrophobicContact CE1-CD2 4.18Å; F178-F182 AromaticContact CE1-CE2 4Å; F178-F182 HydrophobicContact CE1-CE2 4Å; F178-F182 HydrophobicContact CG-CD2 4.33Å; F178-F182 WeakPolarHBondContact O-CA 3.33Å; F178-F182 WeakPolarHBondContact O-CB 3.45Å; F178-F182 PolarHBondContact O-N 3.29Å; F178-L188 HydrophobicContact CD1-CD1 4.1Å; F178-L188 HydrophobicContact CE1-CD1 3.98Å
179	E	97.9	Very high	97.9	Very high	87 Å²	87	60 Å²	60	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-34.2	176.5	-174.8	172.6	-148.4	0	0	113.1	W143 R147 T177 Y181 F182 P183	W143-E179 HydrophobicContact CZ2-CG 4.19Å; R147-E179 HydrophobicContact CG-CB 4.28Å; T177-E179 PolarHBondContact O-N 2.82Å; E179-Y181 VanDerWaalsContact C-N 3.33Å; E179-Y181 PolarHBondContact O-N 3.44Å; E179-F182 CarbonylContact O-C 3.59Å; E179-F182 VanDerWaalsContact O-C 3.29Å; E179-P183 WeakPolarHBondContact O-CA 3.27Å
180	S	98.1	Very high	97.9	Very high	67 Å²	67	61.1 Å²	61.1	47%	0.469	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-34.5	177.2	-59.8	0	0	0	0	113	T177 F178	T177-S180 VanDerWaalsContact O-CB 3.28Å; T177-S180 WeakPolarHBondContact O-CB 3.45Å; T177-S180 PolarHBondContact O-N 3.5Å; T177-S180 PolarHBondContact OG1-N 3.15Å; T177-S180 PolarHBondContact OG1-OG 3.12Å; F178-S180 PolarHBondContact O-N 2.82Å
181	Y	98.4	Very high	98	Very high	58 Å²	58	60.3 Å²	60.3	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-93.8	-24	178.8	-81.9	-82.5	0	0	0	113	T151 C152 L174 R176 F178 E179	T151-Y181 HydrophobicContact CG2-CD2 3.71Å; T151-Y181 HydrophobicContact CG2-CG 3.92Å; T151-Y181 VanDerWaalsContact O-CE2 3.24Å; T151-Y181 WeakPolarHBondContact O-CE2 3.35Å; C152-Y181 WeakPolarHBondContact O-CE1 3.31Å; C152-Y181 VanDerWaalsContact O-CZ 3.23Å; C152-Y181 PolarHBondContact O-OH 3.03Å; L174-Y181 PolarHBondContact O-OH 3.2Å; R176-Y181 HydrophobicContact CB-CD2 4.14Å; R176-Y181 HydrophobicContact CB-CE2 3.82Å; R176-Y181 HydrophobicContact CG-CE2 4.17Å; F178-Y181 CarbonylContact O-C 3.59Å; F178-Y181 PolarHBondContact O-N 3.36Å; E179-Y181 VanDerWaalsContact C-N 3.33Å; E179-Y181 PolarHBondContact O-N 3.44Å
182	F	98.5	Very high	98.1	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.299	C	S	.	.			trans	-132.6	81.1	-177.5	-56.1	-66.1	0	0	0	109.1	W143 T151 S154 F178 E179 T184 A187 L188 L192	W143-F182 PolarHBondContact NE1-O 2.99Å; T151-F182 HydrophobicContact CG2-CE2 4.06Å; S154-F182 VanDerWaalsContact O-CE1 3.31Å; S154-F182 WeakPolarHBondContact O-CE1 3.36Å; F178-F182 AromaticContact CD1-CD2 3.65Å; F178-F182 HydrophobicContact CD1-CD2 3.65Å; F178-F182 AromaticContact CD1-CE2 3.94Å; F178-F182 HydrophobicContact CD1-CE2 3.94Å; F178-F182 HydrophobicContact CE1-CD2 4.18Å; F178-F182 AromaticContact CE1-CE2 4Å; F178-F182 HydrophobicContact CE1-CE2 4Å; F178-F182 HydrophobicContact CG-CD2 4.33Å; F178-F182 WeakPolarHBondContact O-CA 3.33Å; F178-F182 WeakPolarHBondContact O-CB 3.45Å; F178-F182 PolarHBondContact O-N 3.29Å; E179-F182 CarbonylContact O-C 3.59Å; E179-F182 VanDerWaalsContact O-C 3.29Å; F182-T184 PolarHBondContact O-N 3.29Å; F182-T184 VanDerWaalsContact O-N 3.11Å; F182-A187 HydrophobicContact CB-CB 4.45Å; F182-A187 WeakPolarHBondContact CD1-O 3.41Å; F182-L188 HydrophobicContact CB-CB 3.94Å; F182-L188 VanDerWaalsContact CD1-CA 3.49Å; F182-L188 HydrophobicContact CD1-CB 4.22Å; F182-L188 HydrophobicContact CD1-CD1 4.23Å; F182-L188 HydrophobicContact CD2-CD1 3.69Å; F182-L188 HydrophobicContact CE1-CD1 4.28Å; F182-L188 HydrophobicContact CE2-CD1 3.77Å; F182-L188 HydrophobicContact CG-CB 4.03Å; F182-L188 HydrophobicContact CG-CD1 3.91Å; F182-L188 HydrophobicContact CZ-CD1 4.06Å; F182-L192 HydrophobicContact CE1-CB 4.31Å; F182-L192 HydrophobicContact CE1-CD1 4.46Å; F182-L192 HydrophobicContact CE2-CD1 4.11Å; F182-L192 HydrophobicContact CZ-CB 4.25Å; F182-L192 HydrophobicContact CZ-CD1 3.6Å
183	P	98.1	Very high	98.3	Very high	85 Å²	85	45.5 Å²	45.5	55%	0.552	26%	0.26	S	S	*	.	S	Bend	trans	-67	-15	-172.6	-21.4	33.3	0	0	0	114.6	E179	E179-P183 WeakPolarHBondContact O-CA 3.27Å
184	T	98.6	Very high	98.3	Very high	68 Å²	68	45.3 Å²	45.3	42%	0.417	26%	0.257	S	S	.	.	S	Bend	trans	-141.2	161	-179.5	67.8	0	0	0	0	110.4	W143 F182 A186 A187 L188	W143-T184 PolarHBondContact NE1-O 2.75Å; F182-T184 PolarHBondContact O-N 3.29Å; F182-T184 VanDerWaalsContact O-N 3.11Å; T184-A186 VanDerWaalsContact C-N 3.28Å; T184-A186 PolarHBondContact O-N 3.11Å; T184-A187 WeakPolarHBondContact O-CB 3.28Å; T184-A187 PolarHBondContact O-N 3.35Å; T184-A187 VanDerWaalsContact O-N 3.07Å; T184-A187 PolarHBondContact OG1-N 3.02Å; T184-A187 VanDerWaalsContact OG1-N 3.13Å; T184-L188 PolarHBondContact O-N 2.84Å
185	P	98.8	Very high	98.3	Very high	35 Å²	35	45.1 Å²	45.1	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-52.8	-45.3	172.4	-28.4	35.2	0	0	0	113.1	C139 E140 W143 A187 L188 C189	C139-P185 PolarHBondContact SG-O 2.81Å; E140-P185 HydrophobicContact CG-CB 4.23Å; E140-P185 HydrophobicContact CG-CG 4.14Å; W143-P185 HydrophobicContact CB-CB 3.92Å; W143-P185 HydrophobicContact CB-CG 4.01Å; W143-P185 HydrophobicContact CD2-CG 3.97Å; W143-P185 HydrophobicContact CE3-CG 4.11Å; W143-P185 HydrophobicContact CG-CB 4.16Å; W143-P185 HydrophobicContact CG-CG 3.93Å; P185-A187 VanDerWaalsContact C-N 3.33Å; P185-A187 PolarHBondContact O-N 2.79Å; P185-L188 WeakPolarHBondContact O-CB 3.38Å; P185-L188 PolarHBondContact O-N 2.82Å; P185-L188 VanDerWaalsContact O-N 3.12Å; P185-C189 PolarHBondContact O-N 3.18Å; P185-C189 PolarHBondContact O-SG 2.97Å; P185-C189 VanDerWaalsContact O-SG 3.35Å
186	A	98.7	Very high	98.3	Very high	38 Å²	38	42.3 Å²	42.3	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-39.4	177.2	0	0	0	0	0	112.6	T184 L188 C189 E190 V199	T184-A186 VanDerWaalsContact C-N 3.28Å; T184-A186 PolarHBondContact O-N 3.11Å; A186-L188 VanDerWaalsContact C-N 3.26Å; A186-L188 PolarHBondContact O-N 2.8Å; A186-C189 PolarHBondContact O-N 3.19Å; A186-E190 VanDerWaalsContact O-CB 3.28Å; A186-E190 WeakPolarHBondContact O-CB 3.5Å; A186-E190 WeakPolarHBondContact O-CG 3.26Å; A186-E190 PolarHBondContact O-N 3.33Å; A186-V199 HydrophobicContact CB-CG2 4.28Å
187	A	98.6	Very high	98.3	Very high	32 Å²	32	35.8 Å²	35.8	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-38.5	176.1	0	0	0	0	0	111.8	F182 T184 P185 G191	F182-A187 HydrophobicContact CB-CB 4.45Å; F182-A187 WeakPolarHBondContact CD1-O 3.41Å; T184-A187 WeakPolarHBondContact O-CB 3.28Å; T184-A187 PolarHBondContact O-N 3.35Å; T184-A187 VanDerWaalsContact O-N 3.07Å; T184-A187 PolarHBondContact OG1-N 3.02Å; T184-A187 VanDerWaalsContact OG1-N 3.13Å; P185-A187 VanDerWaalsContact C-N 3.33Å; P185-A187 PolarHBondContact O-N 2.79Å; A187-G191 WeakPolarHBondContact O-CA 3.12Å; A187-G191 PolarHBondContact O-N 3.26Å; A187-G191 VanDerWaalsContact O-N 3.11Å
188	L	98.7	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-65	173.5	176.6	65.6	0	0	0	111.2	W142 W143 F178 F182 T184 P185 A186 E190 G191 L192	W142-L188 HydrophobicContact CD2-CD2 4.17Å; W142-L188 HydrophobicContact CG-CD2 3.95Å; W143-L188 HydrophobicContact CB-CD2 3.95Å; W143-L188 HydrophobicContact CG-CD2 4.46Å; F178-L188 HydrophobicContact CD1-CD1 4.1Å; F178-L188 HydrophobicContact CE1-CD1 3.98Å; F182-L188 HydrophobicContact CB-CB 3.94Å; F182-L188 VanDerWaalsContact CD1-CA 3.49Å; F182-L188 HydrophobicContact CD1-CB 4.22Å; F182-L188 HydrophobicContact CD1-CD1 4.23Å; F182-L188 HydrophobicContact CD2-CD1 3.69Å; F182-L188 HydrophobicContact CE1-CD1 4.28Å; F182-L188 HydrophobicContact CE2-CD1 3.77Å; F182-L188 HydrophobicContact CG-CB 4.03Å; F182-L188 HydrophobicContact CG-CD1 3.91Å; F182-L188 HydrophobicContact CZ-CD1 4.06Å; T184-L188 PolarHBondContact O-N 2.84Å; P185-L188 WeakPolarHBondContact O-CB 3.38Å; P185-L188 PolarHBondContact O-N 2.82Å; P185-L188 VanDerWaalsContact O-N 3.12Å; A186-L188 VanDerWaalsContact C-N 3.26Å; A186-L188 PolarHBondContact O-N 2.8Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 2.83Å; L188-G191 PolarHBondContact O-N 2.89Å; L188-L192 HydrophobicContact CD1-CB 4.27Å; L188-L192 HydrophobicContact CD1-CD1 4.17Å; L188-L192 HydrophobicContact CD1-CD2 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 PolarHBondContact O-N 3.41Å
189	C	98.7	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-35.9	-167.8	-55.7	0	0	0	0	112.5	L134 C139 P185 A186 V199	L134-C189 HydrophobicContact CD2-CB 4.12Å; C139-C189 WeakPolarHBondContact CA-SG 3.39Å; C139-C189 HydrophobicContact CB-CB 4.09Å; C139-C189 WeakPolarHBondContact CB-SG 3.41Å; C139-C189 WeakPolarHBondContact SG-CB 3.32Å; C139-C189 CovalentContact SG-SG 2.04Å; C139-C189 PolarHBondContact SG-SG 3.11Å; P185-C189 PolarHBondContact O-N 3.18Å; P185-C189 PolarHBondContact O-SG 2.97Å; P185-C189 VanDerWaalsContact O-SG 3.35Å; A186-C189 PolarHBondContact O-N 3.19Å; C189-V199 HydrophobicContact CB-CG2 3.73Å
190	E	98.7	Very high	98.4	Very high	55 Å²	55	37.5 Å²	37.5	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-86.8	-37.5	179.6	-52.1	-169.2	174.9	0	0	112.5	A186 L188 H195 V199	A186-E190 VanDerWaalsContact O-CB 3.28Å; A186-E190 WeakPolarHBondContact O-CB 3.5Å; A186-E190 WeakPolarHBondContact O-CG 3.26Å; A186-E190 PolarHBondContact O-N 3.33Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 2.83Å; E190-H195 WeakPolarHBondContact O-CA 3.49Å; E190-H195 PolarHBondContact O-N 3.22Å; E190-V199 HydrophobicContact CG-CG2 4.04Å; E190-V199 PolarHBondContact OE1-N 3.22Å
191	G	98.3	Very high	98.4	Very high	22 Å²	22	41.7 Å²	41.7	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-80.5	-43.6	-172.8	0	0	0	0	0	113.9	S154 A187 L188 W193 S194	S154-G191 CarbonylContact O-C 3.51Å; A187-G191 WeakPolarHBondContact O-CA 3.12Å; A187-G191 PolarHBondContact O-N 3.26Å; A187-G191 VanDerWaalsContact O-N 3.11Å; L188-G191 PolarHBondContact O-N 2.89Å; G191-W193 VanDerWaalsContact C-N 3.35Å; G191-W193 PolarHBondContact O-N 2.77Å; G191-S194 PolarHBondContact O-N 3.33Å
192	L	98.4	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-53.7	-171.9	-178.8	76.9	0	0	0	111.8	F100 W142 W156 F182 L188	F100-L192 HydrophobicContact CD1-CD2 4.33Å; F100-L192 HydrophobicContact CE1-CD1 4.16Å; F100-L192 HydrophobicContact CE1-CD2 3.5Å; F100-L192 VanDerWaalsContact CE1-CD2 3.5Å; F100-L192 HydrophobicContact CE1-CG 4.38Å; F100-L192 HydrophobicContact CZ-CD1 4.45Å; F100-L192 HydrophobicContact CZ-CD2 4.15Å; W142-L192 HydrophobicContact CH2-CD2 3.59Å; W142-L192 HydrophobicContact CZ2-CD2 3.43Å; W142-L192 VanDerWaalsContact CZ2-CD2 3.43Å; W156-L192 HydrophobicContact CB-CD1 4.11Å; W156-L192 HydrophobicContact CB-CG 4.47Å; W156-L192 HydrophobicContact CD2-CD1 3.38Å; W156-L192 HydrophobicContact CD2-CG 4.43Å; W156-L192 HydrophobicContact CE3-CD1 3.81Å; W156-L192 HydrophobicContact CG-CD1 3.5Å; W156-L192 HydrophobicContact CG-CG 4.36Å; W156-L192 HydrophobicContact CZ2-CD1 4.19Å; W156-L192 HydrophobicContact CZ3-CD1 4.37Å; W156-L192 PolarHBondContact N-O 2.87Å; F182-L192 HydrophobicContact CE1-CB 4.31Å; F182-L192 HydrophobicContact CE1-CD1 4.46Å; F182-L192 HydrophobicContact CE2-CD1 4.11Å; F182-L192 HydrophobicContact CZ-CB 4.25Å; F182-L192 HydrophobicContact CZ-CD1 3.6Å; L188-L192 HydrophobicContact CD1-CB 4.27Å; L188-L192 HydrophobicContact CD1-CD1 4.17Å; L188-L192 HydrophobicContact CD1-CD2 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 PolarHBondContact O-N 3.41Å
193	W	98	Very high	98.3	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.11	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	33.9	-179.8	-59.5	128.7	0	0	0	113	F84 W86 F100 D103 R128 W156 H157 G191 H195 S196	F84-W193 HydrophobicContact CE2-CH2 4.27Å; F84-W193 HydrophobicContact CZ-CH2 4.18Å; W86-W193 HydrophobicContact CH2-CH2 4.42Å; W86-W193 HydrophobicContact CH2-CZ2 4.19Å; W86-W193 HydrophobicContact CZ3-CH2 4.36Å; W86-W193 HydrophobicContact CZ3-CZ2 4.19Å; F100-W193 HydrophobicContact CD1-CZ2 4.38Å; D103-W193 PolarHBondContact OD2-NE1 2.98Å; R128-W193 PolarHBondContact NH2-O 2.91Å; W156-W193 HydrophobicContact CB-CE3 4.02Å; W156-W193 HydrophobicContact CB-CH2 4Å; W156-W193 HydrophobicContact CB-CZ3 3.58Å; W156-W193 HydrophobicContact CE3-CH2 4.1Å; W156-W193 HydrophobicContact CE3-CZ2 4.35Å; H157-W193 AromaticContact CD2-CE3 3.87Å; H157-W193 PolarHBondContact CE1-O 3.2Å; H157-W193 PolarHBondContact ND1-O 3.41Å; G191-W193 VanDerWaalsContact C-N 3.35Å; G191-W193 PolarHBondContact O-N 2.77Å; W193-H195 PolarHBondContact O-N 2.77Å; W193-S196 WeakPolarHBondContact CB-OG 3.43Å; W193-S196 PolarHBondContact O-N 2.88Å; W193-S196 PolarHBondContact O-OG 3.33Å
194	S	97.1	Very high	98.1	Very high	23 Å²	23	44.7 Å²	44.7	16%	0.161	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	58.1	174.5	-50.4	0	0	0	0	112.9	R128 N155 H157 G191 S196	R128-S194 PolarHBondContact NH2-O 2.76Å; R128-S194 VanDerWaalsContact NH2-O 3.11Å; N155-S194 VanDerWaalsContact CG-OG 3.29Å; N155-S194 PolarHBondContact ND2-OG 2.99Å; N155-S194 PolarHBondContact OD1-OG 3.04Å; N155-S194 VanDerWaalsContact OD1-OG 3.05Å; H157-S194 WeakPolarHBondContact CB-OG 3.33Å; G191-S194 PolarHBondContact O-N 3.33Å; S194-S196 PolarHBondContact O-N 2.6Å
195	H	98	Very high	97.9	Very high	104 Å²	104	44.5 Å²	44.5	48%	0.481	27%	0.265	S	S	.	.	S	Bend	trans	62.2	32.3	179.6	-48.4	-72.7	0	0	0	115.1	L130 N131 E190 W193	L130-H195 CarbonylContact C-O 3.54Å; L130-H195 WeakPolarHBondContact CA-O 3.36Å; N131-H195 PolarHBondContact N-O 3.43Å; E190-H195 WeakPolarHBondContact O-CA 3.49Å; E190-H195 PolarHBondContact O-N 3.22Å; W193-H195 PolarHBondContact O-N 2.77Å
196	S	98.4	Very high	97.8	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	27%	0.271	C	S	.	.	S	Bend	trans	-59.2	-42	162.7	-72.6	0	0	0	0	110.7	R128 L130 N131 V132 W193 S194	R128-S196 PolarHBondContact NH2-OG 3.29Å; L130-S196 CarbonylContact C-O 3.57Å; N131-S196 PolarHBondContact N-O 3.48Å; N131-S196 VanDerWaalsContact N-O 3.11Å; V132-S196 PolarHBondContact N-O 2.8Å; W193-S196 WeakPolarHBondContact CB-OG 3.43Å; W193-S196 PolarHBondContact O-N 2.88Å; W193-S196 PolarHBondContact O-OG 3.33Å; S194-S196 PolarHBondContact O-N 2.6Å
197	F	98.8	Very high	97.7	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	155.2	173.1	-59	-72	0	0	0	111.7	D103 L106 I129 V132 L134	D103-F197 WeakPolarHBondContact OD1-CE2 3.07Å; D103-F197 WeakPolarHBondContact OD1-CZ 3.42Å; L106-F197 HydrophobicContact CD2-CE1 3.94Å; L106-F197 HydrophobicContact CD2-CZ 3.97Å; I129-F197 HydrophobicContact CD1-CE1 4.41Å; I129-F197 HydrophobicContact CD1-CZ 4.43Å; V132-F197 HydrophobicContact CB-CD1 3.64Å; V132-F197 HydrophobicContact CB-CE1 4.01Å; V132-F197 HydrophobicContact CG1-CD1 3.8Å; V132-F197 HydrophobicContact CG1-CE1 3.86Å; V132-F197 WeakPolarHBondContact O-CA 3.41Å; L134-F197 HydrophobicContact CB-CB 4.22Å; L134-F197 HydrophobicContact CB-CD1 3.87Å; L134-F197 HydrophobicContact CB-CG 4.21Å; L134-F197 HydrophobicContact CD1-CD1 4.48Å; L134-F197 HydrophobicContact CD1-CE1 4.43Å; L134-F197 HydrophobicContact CD2-CD1 4.47Å; L134-F197 HydrophobicContact CD2-CG 4.32Å
198	K	98.7	Very high	97.7	Very high	123 Å²	123	47.5 Å²	47.5	54%	0.535	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.2	160.7	178.2	173.8	-179.5	175.6	0	106.1	N131 V132 P133 L134 S200	N131-K198 HydrophobicContact CB-CB 4.04Å; V132-K198 PolarHBondContact O-N 3.01Å; P133-K198 CarbonylContact C-O 3.18Å; P133-K198 VanDerWaalsContact CA-O 3.23Å; P133-K198 WeakPolarHBondContact CA-O 3.49Å; L134-K198 PolarHBondContact N-O 3.23Å; L134-K198 VanDerWaalsContact N-O 3.11Å; K198-S200 PolarHBondContact O-N 3.38Å
199	V	98.5	Very high	97.7	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.6	-176.6	-175.7	0	0	0	0	109.1	C139 A186 C189 E190	C139-V199 HydrophobicContact CB-CG1 4.15Å; C139-V199 HydrophobicContact CB-CG2 4.09Å; C139-V199 WeakPolarHBondContact SG-CG2 3.36Å; A186-V199 HydrophobicContact CB-CG2 4.28Å; C189-V199 HydrophobicContact CB-CG2 3.73Å; E190-V199 HydrophobicContact CG-CG2 4.04Å; E190-V199 PolarHBondContact OE1-N 3.22Å
200	S	98.4	Very high	97.7	Very high	11 Å²	11	47.6 Å²	47.6	8%	0.077	27%	0.273	C	S	.	.			trans	-88.7	146.5	175	-169.2	0	0	0	0	110.3	L134 K136 K198 Y202	L134-S200 VanDerWaalsContact O-CB 3.28Å; L134-S200 WeakPolarHBondContact O-CB 3.24Å; L134-S200 PolarHBondContact O-N 2.78Å; K136-S200 WeakPolarHBondContact CB-O 3.21Å; K198-S200 PolarHBondContact O-N 3.38Å; S200-Y202 PolarHBondContact O-N 3Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.08Å; S200-Y202 PolarHBondContact OG-N 2.66Å
201	N	97.3	Very high	97.7	Very high	154 Å²	154	46.5 Å²	46.5	82%	0.824	27%	0.268	S	S	*	.	S	Bend	trans	-79.5	-7.3	170.2	-68.4	-20.3	0	0	0	112.5
202	Y	98.1	Very high	97.6	Very high	114 Å²	114	45.4 Å²	45.4	45%	0.447	26%	0.257	S	S	.	.	S	Bend	trans	-80.4	144.2	177.4	-67	-76.4	0	0	0	111.3	K136 S200 S206 R208 C209	K136-Y202 PolarHBondContact N-O 2.95Å; S200-Y202 PolarHBondContact O-N 3Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.08Å; S200-Y202 PolarHBondContact OG-N 2.66Å; Y202-S206 WeakPolarHBondContact CB-OG 3.42Å; Y202-R208 HydrophobicContact CD1-CB 3.89Å; Y202-R208 HydrophobicContact CD1-CG 4.23Å; Y202-R208 HydrophobicContact CD2-CB 3.49Å; Y202-R208 VanDerWaalsContact CD2-CB 3.49Å; Y202-R208 HydrophobicContact CD2-CG 4.44Å; Y202-R208 HydrophobicContact CE1-CB 4.17Å; Y202-R208 HydrophobicContact CE1-CG 4.16Å; Y202-R208 HydrophobicContact CE2-CB 3.82Å; Y202-R208 HydrophobicContact CE2-CG 4.39Å; Y202-R208 HydrophobicContact CG-CB 3.55Å; Y202-R208 HydrophobicContact CG-CG 4.38Å; Y202-C209 PolarHBondContact O-SG 2.89Å; Y202-C209 VanDerWaalsContact O-SG 3.34Å
203	S	97.1	Very high	97.6	Very high	59 Å²	59	49.3 Å²	49.3	41%	0.413	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-80.4	158.9	173.9	-62.6	0	0	0	0	112.7	E137 S206 C209	E137-S203 WeakPolarHBondContact OE1-CA 3.28Å; E137-S203 WeakPolarHBondContact OE1-CB 3.01Å; E137-S203 PolarHBondContact OE1-OG 3.35Å; E137-S203 WeakPolarHBondContact OE2-CA 3.48Å; S203-S206 WeakPolarHBondContact O-CB 3.03Å; S203-S206 PolarHBondContact O-N 3.42Å; S203-S206 PolarHBondContact O-OG 2.88Å; S203-C209 PolarHBondContact O-SG 3.34Å
204	G	94.3	Very high	97.6	Very high	34 Å²	34	49.2 Å²	49.2	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	141.9	168	0	0	0	0	0	112.4	E137 S206	E137-G204 PolarHBondContact OE2-N 3.47Å; G204-S206 VanDerWaalsContact C-N 3.27Å; G204-S206 PolarHBondContact O-N 2.92Å
205	G	94.3	Very high	97.4	Very high	64 Å²	64	52 Å²	52	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-5.8	-176.4	0	0	0	0	0	115.9	G207	G205-G207 PolarHBondContact O-N 3.43Å
206	S	96.9	Very high	97.1	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	28%	0.278	S	S	.	.	S	Bend	trans	-67.4	-17.6	177.2	60.6	0	0	0	0	114.8	Y202 S203 G204 R208	Y202-S206 WeakPolarHBondContact CB-OG 3.42Å; S203-S206 WeakPolarHBondContact O-CB 3.03Å; S203-S206 PolarHBondContact O-N 3.42Å; S203-S206 PolarHBondContact O-OG 2.88Å; G204-S206 VanDerWaalsContact C-N 3.27Å; G204-S206 PolarHBondContact O-N 2.92Å; S206-R208 PolarHBondContact O-N 3.26Å; S206-R208 PolarHBondContact OG-N 3.05Å; S206-R208 VanDerWaalsContact OG-N 3.16Å
207	G	97.1	Very high	96.8	Very high	25 Å²	25	53.1 Å²	53.1	26%	0.258	31%	0.31	S	S	.	.	S	Bend	trans	69.7	13.1	-168.8	0	0	0	0	0	113.7	G205	G205-G207 PolarHBondContact O-N 3.43Å
208	R	98.2	Very high	96.6	Very high	94 Å²	94	61 Å²	61	36%	0.355	35%	0.347	S	S	.	.	S	Bend	trans	-124.5	5.4	-175.6	-57.9	-58.9	177.7	109.6	-3	114.4	Y202 S206 F228 Y229	Y202-R208 HydrophobicContact CD1-CB 3.89Å; Y202-R208 HydrophobicContact CD1-CG 4.23Å; Y202-R208 HydrophobicContact CD2-CB 3.49Å; Y202-R208 VanDerWaalsContact CD2-CB 3.49Å; Y202-R208 HydrophobicContact CD2-CG 4.44Å; Y202-R208 HydrophobicContact CE1-CB 4.17Å; Y202-R208 HydrophobicContact CE1-CG 4.16Å; Y202-R208 HydrophobicContact CE2-CB 3.82Å; Y202-R208 HydrophobicContact CE2-CG 4.39Å; Y202-R208 HydrophobicContact CG-CB 3.55Å; Y202-R208 HydrophobicContact CG-CG 4.38Å; S206-R208 PolarHBondContact O-N 3.26Å; S206-R208 PolarHBondContact OG-N 3.05Å; S206-R208 VanDerWaalsContact OG-N 3.16Å; R208-F228 VanDerWaalsContact CZ-CZ 3.42Å; R208-Y229 PolarHBondContact O-OH 2.81Å; R208-Y229 VanDerWaalsContact O-OH 3.06Å
209	C	98.8	Very high	96.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.014	34%	0.337	C	S	.	.	S	Bend	trans	-146.8	150.8	175.8	60.1	0	0	0	0	109.8	P133 C135 Y202 S203 V225	P133-C209 CarbonylContact O-C 3.54Å; P133-C209 WeakPolarHBondContact O-CA 3.01Å; P133-C209 VanDerWaalsContact O-CB 3.27Å; P133-C209 WeakPolarHBondContact O-CB 3.44Å; C135-C209 WeakPolarHBondContact CA-SG 3.44Å; C135-C209 HydrophobicContact CB-CB 3.9Å; C135-C209 WeakPolarHBondContact CB-SG 3.4Å; C135-C209 WeakPolarHBondContact SG-CB 3.44Å; C135-C209 PolarHBondContact SG-O 3.11Å; C135-C209 VanDerWaalsContact SG-O 3.34Å; C135-C209 CovalentContact SG-SG 2.04Å; C135-C209 PolarHBondContact SG-SG 2.82Å; Y202-C209 PolarHBondContact O-SG 2.89Å; Y202-C209 VanDerWaalsContact O-SG 3.34Å; S203-C209 PolarHBondContact O-SG 3.34Å; C209-V225 WeakPolarHBondContact O-CG2 3Å
210	I	98.8	Very high	96.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-79.7	128.6	177.1	-67.1	-65	0	0	0	109.1	L106 L113 W116 V132 P133 C135 N222 V225	L106-I210 HydrophobicContact CD1-CG2 4Å; L106-I210 HydrophobicContact CD2-CG2 4.01Å; L113-I210 HydrophobicContact CD2-CG1 4.48Å; L113-I210 HydrophobicContact CD2-CG2 4.26Å; W116-I210 HydrophobicContact CH2-CD1 3.96Å; W116-I210 HydrophobicContact CH2-CG1 3.87Å; W116-I210 HydrophobicContact CZ3-CD1 3.76Å; W116-I210 HydrophobicContact CZ3-CG1 3.77Å; V132-I210 HydrophobicContact CG1-CB 3.85Å; V132-I210 HydrophobicContact CG1-CG1 3.75Å; V132-I210 HydrophobicContact CG1-CG2 4.1Å; P133-I210 HydrophobicContact CG-CG1 4.46Å; P133-I210 PolarHBondContact O-N 3.05Å; C135-I210 PolarHBondContact N-O 3.07Å; C135-I210 PolarHBondContact SG-O 3.32Å; C135-I210 VanDerWaalsContact SG-O 3.41Å; I210-N222 VanDerWaalsContact CA-OD1 3.3Å; I210-N222 WeakPolarHBondContact CA-OD1 3.42Å; I210-N222 HydrophobicContact CD1-CB 3.82Å; I210-V225 HydrophobicContact CD1-CB 3.95Å; I210-V225 HydrophobicContact CD1-CG1 3.7Å; I210-V225 HydrophobicContact CG1-CG1 4.12Å
211	Q	98.6	Very high	96.2	Very high	32 Å²	32	57.7 Å²	57.7	15%	0.15	35%	0.346	C	S	.	.			trans	-94.2	127.9	171.8	-69.2	-177.5	-120.5	0	0	109.8	C135 W213 N222	C135-Q211 HydrophobicContact CB-CG 4.37Å; C135-Q211 WeakPolarHBondContact SG-CG 3.41Å; Q211-W213 PolarHBondContact NE2-O 2.87Å; Q211-N222 PolarHBondContact N-OD1 2.96Å; Q211-N222 PolarHBondContact O-ND2 2.04Å
212	M	96.9	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-82.3	-33.2	169.8	-173.7	166.9	77.5	0	0	110.4	H99 Q102 D103 L106 L134 D138 W142	H99-M212 HydrophobicContact CB-CE 4.39Å; Q102-M212 HydrophobicContact CB-CE 4.41Å; Q102-M212 HydrophobicContact CB-CG 4.04Å; Q102-M212 HydrophobicContact CB-SD 4.44Å; Q102-M212 HydrophobicContact CG-CG 3.51Å; Q102-M212 VanDerWaalsContact CG-O 3.31Å; Q102-M212 WeakPolarHBondContact CG-O 3.42Å; Q102-M212 PolarHBondContact NE2-O 2.89Å; D103-M212 WeakPolarHBondContact CA-SD 3.18Å; D103-M212 HydrophobicContact CB-SD 3.61Å; D103-M212 PolarHBondContact N-SD 2.8Å; D103-M212 VanDerWaalsContact N-SD 3.36Å; L106-M212 HydrophobicContact CB-CG 4.26Å; L106-M212 HydrophobicContact CD2-CB 4.08Å; L106-M212 HydrophobicContact CD2-CG 4.17Å; L134-M212 HydrophobicContact CD1-CB 4.16Å; D138-M212 WeakPolarHBondContact OD2-CA 3.47Å; D138-M212 WeakPolarHBondContact OD2-CB 3.39Å; D138-M212 PolarHBondContact OD2-N 3.18Å; W142-M212 HydrophobicContact CE3-CE 4.06Å; W142-M212 HydrophobicContact CZ3-CE 4.48Å
213	W	98.1	Very high	96.3	Very high	81 Å²	81	48.8 Å²	48.8	31%	0.307	30%	0.304	S	S	.	.	S	Bend	trans	-108.7	122.5	175	-64.6	90.3	0	0	0	111.6	R98 H99 Q102 D138 Q211	R98-W213 HydrophobicContact CB-CH2 4.45Å; R98-W213 HydrophobicContact CG-CH2 4.27Å; R98-W213 HydrophobicContact CG-CZ2 4.11Å; H99-W213 AromaticContact CE1-NE1 3.65Å; H99-W213 AromaticContact ND1-NE1 3.39Å; H99-W213 PolarHBondContact ND1-NE1 3.1Å; Q102-W213 HydrophobicContact CB-CD2 4.44Å; Q102-W213 HydrophobicContact CB-CH2 4Å; Q102-W213 HydrophobicContact CB-CZ2 3.49Å; Q102-W213 VanDerWaalsContact CB-CZ2 3.49Å; Q102-W213 HydrophobicContact CG-CD2 3.75Å; Q102-W213 HydrophobicContact CG-CE3 4.14Å; Q102-W213 HydrophobicContact CG-CG 4.21Å; Q102-W213 HydrophobicContact CG-CH2 4.12Å; Q102-W213 HydrophobicContact CG-CZ2 3.74Å; Q102-W213 HydrophobicContact CG-CZ3 4.31Å; D138-W213 PolarHBondContact OD2-N 2.74Å; Q211-W213 PolarHBondContact NE2-O 2.87Å
214	F	96.6	Very high	96.3	Very high	27 Å²	27	51.2 Å²	51.2	12%	0.118	31%	0.308	C	S	.	.			trans	-153.3	157.1	175.4	61.7	-86.7	0	0	0	111.7	P59 W60 N220	P59-F214 HydrophobicContact CB-CD2 4.18Å; P59-F214 HydrophobicContact CB-CE1 4.25Å; P59-F214 HydrophobicContact CB-CE2 3.51Å; P59-F214 HydrophobicContact CB-CZ 3.55Å; W60-F214 HydrophobicContact CD2-CE1 4.49Å; W60-F214 HydrophobicContact CD2-CZ 4.18Å; W60-F214 AromaticContact CE2-CE1 3.77Å; W60-F214 AromaticContact CE2-CZ 3.82Å; W60-F214 HydrophobicContact CH2-CE1 4.12Å; W60-F214 AromaticContact CZ2-CE1 3.58Å; W60-F214 HydrophobicContact CZ2-CE1 3.58Å; W60-F214 HydrophobicContact CZ2-CZ 4.1Å; W60-F214 AromaticContact NE1-CZ 3.92Å; F214-N220 HydrophobicContact CE2-CB 4.07Å; F214-N220 HydrophobicContact CZ-CB 4.47Å
215	D	92.8	Very high	96.5	Very high	81 Å²	81	49.7 Å²	49.7	43%	0.433	29%	0.292	S	S	.	.			trans	-89.4	112.2	174.7	176.9	9.1	0	0	0	110.2	A217 Q218	D215-A217 PolarHBondContact O-N 3.11Å; D215-A217 VanDerWaalsContact OD1-CB 3.26Å; D215-A217 WeakPolarHBondContact OD1-CB 3.45Å; D215-A217 PolarHBondContact OD1-N 3.15Å; D215-Q218 HydrophobicContact CB-CG 4.47Å; D215-Q218 PolarHBondContact O-N 3.24Å; D215-Q218 PolarHBondContact OD2-NE2 3.23Å
216	S	92	Very high	96.7	Very high	46 Å²	46	46.7 Å²	46.7	32%	0.322	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-68.5	-15.5	-178.3	61.1	0	0	0	0	114	Q218 G219	S216-Q218 PolarHBondContact O-N 2.68Å; S216-G219 PolarHBondContact O-N 3.06Å
217	A	93.5	Very high	96.7	Very high	87 Å²	87	48.8 Å²	48.8	72%	0.719	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.4	-28.8	171	0	0	0	0	0	111.8	D215 G219	D215-A217 PolarHBondContact O-N 3.11Å; D215-A217 VanDerWaalsContact OD1-CB 3.26Å; D215-A217 WeakPolarHBondContact OD1-CB 3.45Å; D215-A217 PolarHBondContact OD1-N 3.15Å; A217-G219 VanDerWaalsContact C-N 3.33Å
218	Q	93.6	Very high	96.7	Very high	167 Å²	167	50.4 Å²	50.4	78%	0.78	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-90.9	2.3	177.2	-62.6	176.4	55.1	0	0	112.8	D215 S216	D215-Q218 HydrophobicContact CB-CG 4.47Å; D215-Q218 PolarHBondContact O-N 3.24Å; D215-Q218 PolarHBondContact OD2-NE2 3.23Å; S216-Q218 PolarHBondContact O-N 2.68Å
219	G	94.4	Very high	96.6	Very high	31 Å²	31	48.4 Å²	48.4	32%	0.32	26%	0.257	S	S	.	.			trans	87.5	173.1	-175.2	0	0	0	0	0	113.3	S216 A217	S216-G219 PolarHBondContact O-N 3.06Å; A217-G219 VanDerWaalsContact C-N 3.33Å
220	N	97.6	Very high	96.4	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.144	26%	0.258	C	S	.	.			trans	-93.5	102.7	179.8	-179.8	-3	0	0	0	110.1	N112 F214 N222 E223	N112-N220 PolarHBondContact OD1-ND2 2.89Å; F214-N220 HydrophobicContact CE2-CB 4.07Å; F214-N220 HydrophobicContact CZ-CB 4.47Å; N220-N222 PolarHBondContact O-N 2.79Å; N220-N222 VanDerWaalsContact O-N 3.11Å; N220-N222 VanDerWaalsContact OD1-CB 3.24Å; N220-N222 WeakPolarHBondContact OD1-CB 3.28Å; N220-N222 PolarHBondContact OD1-N 3.35Å; N220-N222 PolarHBondContact OD1-ND2 3.39Å; N220-E223 HydrophobicContact CB-CG 4.36Å; N220-E223 PolarHBondContact O-N 2.63Å
221	A	95.9	Very high	96.1	Very high	38 Å²	38	51.3 Å²	51.3	31%	0.314	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-179.3	0	0	0	0	0	113.7	E223 E224 V225	A221-E223 PolarHBondContact O-N 2.93Å; A221-E224 PolarHBondContact O-N 2.95Å; A221-V225 WeakPolarHBondContact O-CG2 3.35Å
222	N	98.6	Very high	95.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-16.9	-178.7	-61.8	-44.8	0	0	0	113.3	N112 I210 Q211 N220 V225 A226	N112-N222 HydrophobicContact CB-CB 3.95Å; I210-N222 VanDerWaalsContact CA-OD1 3.3Å; I210-N222 WeakPolarHBondContact CA-OD1 3.42Å; I210-N222 HydrophobicContact CD1-CB 3.82Å; Q211-N222 PolarHBondContact N-OD1 2.96Å; Q211-N222 PolarHBondContact O-ND2 2.04Å; N220-N222 PolarHBondContact O-N 2.79Å; N220-N222 VanDerWaalsContact O-N 3.11Å; N220-N222 VanDerWaalsContact OD1-CB 3.24Å; N220-N222 WeakPolarHBondContact OD1-CB 3.28Å; N220-N222 PolarHBondContact OD1-N 3.35Å; N220-N222 PolarHBondContact OD1-ND2 3.39Å; N222-V225 PolarHBondContact O-N 2.03Å; N222-A226 WeakPolarHBondContact O-CB 3.41Å; N222-A226 PolarHBondContact O-N 2.81Å
223	E	98	Very high	95	Very high	81 Å²	81	56.9 Å²	56.9	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-47.6	174.6	-69.5	-177.3	-154.8	0	0	111.7	N220 A221 A226 K227	N220-E223 HydrophobicContact CB-CG 4.36Å; N220-E223 PolarHBondContact O-N 2.63Å; A221-E223 PolarHBondContact O-N 2.93Å; E223-A226 PolarHBondContact O-N 3.02Å; E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 3.32Å
224	E	97.2	Very high	94	Very high	109 Å²	109	58.9 Å²	58.9	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-69.2	-36.2	178.8	-67.7	-53.3	126.2	0	0	112	A221 K227 F228	A221-E224 PolarHBondContact O-N 2.95Å; E224-K227 PolarHBondContact O-N 2.76Å; E224-K227 IonicContact OE1-NZ 3.25Å; E224-K227 PolarHBondContact OE1-NZ 3.46Å; E224-F228 WeakPolarHBondContact O-CB 3.3Å; E224-F228 PolarHBondContact O-N 2.72Å
225	V	98.4	Very high	92.8	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-47.2	175.3	-175.8	0	0	0	0	110.1	W116 C209 I210 A221 N222 K227 F228 Y229	W116-V225 HydrophobicContact CH2-CG1 4.15Å; C209-V225 WeakPolarHBondContact O-CG2 3Å; I210-V225 HydrophobicContact CD1-CB 3.95Å; I210-V225 HydrophobicContact CD1-CG1 3.7Å; I210-V225 HydrophobicContact CG1-CG1 4.12Å; A221-V225 WeakPolarHBondContact O-CG2 3.35Å; N222-V225 PolarHBondContact O-N 2.03Å; V225-K227 PolarHBondContact O-N 2.94Å; V225-F228 PolarHBondContact O-N 2.76Å; V225-Y229 HydrophobicContact CG1-CD2 3.93Å; V225-Y229 HydrophobicContact CG1-CE2 3.98Å; V225-Y229 WeakPolarHBondContact O-CD2 3.44Å; V225-Y229 PolarHBondContact O-N 3.21Å; V225-Y229 VanDerWaalsContact O-N 3.08Å
226	A	98.1	Very high	91.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-44	178.4	0	0	0	0	0	111.9	L34 N112 P115 N222 E223 F228 Y229 A230	L34-A226 VanDerWaalsContact CD2-C 3.45Å; L34-A226 HydrophobicContact CD2-CB 3.9Å; L34-A226 WeakPolarHBondContact CD2-O 3.43Å; N112-A226 HydrophobicContact CB-CB 4Å; N112-A226 WeakPolarHBondContact O-CB 3.02Å; P115-A226 HydrophobicContact CG-CB 4.39Å; N222-A226 WeakPolarHBondContact O-CB 3.41Å; N222-A226 PolarHBondContact O-N 2.81Å; E223-A226 PolarHBondContact O-N 3.02Å; A226-F228 VanDerWaalsContact C-N 3.34Å; A226-F228 PolarHBondContact O-N 3.02Å; A226-Y229 PolarHBondContact O-N 3.3Å; A226-A230 VanDerWaalsContact O-CB 3.26Å; A226-A230 WeakPolarHBondContact O-CB 3.4Å; A226-A230 PolarHBondContact O-N 3.08Å
227	K	97.1	Very high	88.6	Confident	93 Å²	93	61.6 Å²	61.6	40%	0.404	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-46.6	175.4	-72.4	171.2	-166.9	168.8	0	111.5	L34 E223 E224 V225 A231	L34-K227 HydrophobicContact CD1-CG 3.98Å; L34-K227 HydrophobicContact CD2-CG 4.26Å; E223-K227 WeakPolarHBondContact O-CG 3.44Å; E223-K227 PolarHBondContact O-N 3.32Å; E224-K227 PolarHBondContact O-N 2.76Å; E224-K227 IonicContact OE1-NZ 3.25Å; E224-K227 PolarHBondContact OE1-NZ 3.46Å; V225-K227 PolarHBondContact O-N 2.94Å; K227-A231 WeakPolarHBondContact O-CB 3.49Å; K227-A231 PolarHBondContact O-N 3.42Å
228	F	97	Very high	85.9	Confident	60 Å²	60	63.1 Å²	63.1	26%	0.263	38%	0.378	S	S	.	.	H	α-helix	trans	-57.3	-53.3	178.3	173.6	-97.3	0	0	0	111.4	R208 E224 V225 A226 A231 T232	R208-F228 VanDerWaalsContact CZ-CZ 3.42Å; E224-F228 WeakPolarHBondContact O-CB 3.3Å; E224-F228 PolarHBondContact O-N 2.72Å; V225-F228 PolarHBondContact O-N 2.76Å; A226-F228 VanDerWaalsContact C-N 3.34Å; A226-F228 PolarHBondContact O-N 3.02Å; F228-A231 PolarHBondContact O-N 3.27Å; F228-T232 HydrophobicContact CE1-CG2 4.14Å; F228-T232 HydrophobicContact CE2-CG2 4.09Å; F228-T232 HydrophobicContact CZ-CG2 3.75Å; F228-T232 WeakPolarHBondContact O-CG2 3.48Å; F228-T232 PolarHBondContact O-N 3.48Å; F228-T232 VanDerWaalsContact O-N 3.14Å
229	Y	96.4	Very high	83.1	Confident	52 Å²	52	60.4 Å²	60.4	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-39.9	-177.6	-80.3	-80.1	0	0	0	112.8	W116 P133 R208 V225 A226 A231 T232 M233	W116-Y229 AromaticContact CH2-CD2 3.8Å; W116-Y229 HydrophobicContact CH2-CD2 3.8Å; W116-Y229 HydrophobicContact CH2-CE2 4.49Å; W116-Y229 HydrophobicContact CH2-CG 4.15Å; W116-Y229 HydrophobicContact CZ2-CD1 4.14Å; W116-Y229 AromaticContact CZ2-CD2 3.45Å; W116-Y229 HydrophobicContact CZ2-CD2 3.45Å; W116-Y229 VanDerWaalsContact CZ2-CD2 3.45Å; W116-Y229 AromaticContact CZ2-CE2 4Å; W116-Y229 HydrophobicContact CZ2-CE2 4Å; W116-Y229 AromaticContact CZ2-CG 3.53Å; W116-Y229 HydrophobicContact CZ2-CG 3.53Å; P133-Y229 HydrophobicContact CG-CE2 3.89Å; R208-Y229 PolarHBondContact O-OH 2.81Å; R208-Y229 VanDerWaalsContact O-OH 3.06Å; V225-Y229 HydrophobicContact CG1-CD2 3.93Å; V225-Y229 HydrophobicContact CG1-CE2 3.98Å; V225-Y229 WeakPolarHBondContact O-CD2 3.44Å; V225-Y229 PolarHBondContact O-N 3.21Å; V225-Y229 VanDerWaalsContact O-N 3.08Å; A226-Y229 PolarHBondContact O-N 3.3Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 3.03Å; Y229-T232 WeakPolarHBondContact CA-OG1 3.4Å; Y229-T232 PolarHBondContact O-N 3.43Å; Y229-T232 PolarHBondContact O-OG1 3.39Å; Y229-M233 WeakPolarHBondContact O-CG 3.41Å; Y229-M233 PolarHBondContact O-N 3.39Å
230	A	94.9	Very high	80.5	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.033	41%	0.406	C	S	.	.	H	α-helix	trans	-59.5	-41.8	175.2	0	0	0	0	0	112	L33 L34 P115 A226 M233 N234	L33-A230 HydrophobicContact CB-CB 3.91Å; L33-A230 HydrophobicContact CD1-CB 4.02Å; L34-A230 HydrophobicContact CD2-CB 3.65Å; L34-A230 HydrophobicContact CG-CB 4.03Å; P115-A230 HydrophobicContact CG-CB 4.32Å; A226-A230 VanDerWaalsContact O-CB 3.26Å; A226-A230 WeakPolarHBondContact O-CB 3.4Å; A226-A230 PolarHBondContact O-N 3.08Å; A230-M233 PolarHBondContact O-N 3.48Å; A230-N234 PolarHBondContact O-N 2.62Å; A230-N234 VanDerWaalsContact O-N 3.07Å; A230-N234 PolarHBondContact O-ND2 3.17Å
231	A	92.3	Very high	77.3	Confident	59 Å²	59	70 Å²	70	49%	0.488	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-43.5	176.4	0	0	0	0	0	111.9	K227 F228 Y229 M233 N234 A235	K227-A231 WeakPolarHBondContact O-CB 3.49Å; K227-A231 PolarHBondContact O-N 3.42Å; F228-A231 PolarHBondContact O-N 3.27Å; Y229-A231 VanDerWaalsContact C-N 3.31Å; Y229-A231 PolarHBondContact O-N 3.03Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.93Å; A231-N234 PolarHBondContact O-N 2.75Å; A231-A235 WeakPolarHBondContact O-CB 3.24Å; A231-A235 PolarHBondContact O-N 2.89Å
232	T	87.1	Confident	74.7	Confident	48 Å²	48	76.1 Å²	76.1	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-35	178.1	58.6	0	0	0	0	113.4	F228 Y229	F228-T232 HydrophobicContact CE1-CG2 4.14Å; F228-T232 HydrophobicContact CE2-CG2 4.09Å; F228-T232 HydrophobicContact CZ-CG2 3.75Å; F228-T232 WeakPolarHBondContact O-CG2 3.48Å; F228-T232 PolarHBondContact O-N 3.48Å; F228-T232 VanDerWaalsContact O-N 3.14Å; Y229-T232 WeakPolarHBondContact CA-OG1 3.4Å; Y229-T232 PolarHBondContact O-N 3.43Å; Y229-T232 PolarHBondContact O-OG1 3.39Å
233	M	85.2	Confident	71.7	Confident	100 Å²	100	84.2 Å²	84.2	49%	0.493	50%	0.497	S	S	.	.	H	α-helix	trans	-69.5	-41.6	176.7	-68.1	174.2	74.4	0	0	111.6	L33 P115 Y229 A230 A231 A235 G236	L33-M233 HydrophobicContact CD1-CB 4.43Å; L33-M233 HydrophobicContact CD1-CE 4.35Å; L33-M233 HydrophobicContact CD1-SD 4.05Å; P115-M233 HydrophobicContact CB-SD 3.89Å; Y229-M233 WeakPolarHBondContact O-CG 3.41Å; Y229-M233 PolarHBondContact O-N 3.39Å; A230-M233 PolarHBondContact O-N 3.48Å; A231-M233 VanDerWaalsContact C-N 3.32Å; A231-M233 PolarHBondContact O-N 2.93Å; M233-A235 VanDerWaalsContact C-N 3.33Å; M233-G236 PolarHBondContact O-N 3.39Å
234	N	76.8	Confident	68.8	Low	124 Å²	124	82.7 Å²	82.7	66%	0.663	50%	0.503	S	S	*	.	H	α-helix	trans	-71.2	-28.4	178	-71.6	-18.4	0	0	0	113	A230 A231 G236	A230-N234 PolarHBondContact O-N 2.62Å; A230-N234 VanDerWaalsContact O-N 3.07Å; A230-N234 PolarHBondContact O-ND2 3.17Å; A231-N234 PolarHBondContact O-N 2.75Å; N234-G236 PolarHBondContact O-N 3.31Å
235	A	72.4	Confident	65.8	Low	83 Å²	83	87.3 Å²	87.3	69%	0.686	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	0.2	177.6	0	0	0	0	0	114.1	A231 M233 A237	A231-A235 WeakPolarHBondContact O-CB 3.24Å; A231-A235 PolarHBondContact O-N 2.89Å; M233-A235 VanDerWaalsContact C-N 3.33Å; A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 3.49Å
236	G	56.2	Low	64.2	Low	63 Å²	63	91.6 Å²	91.6	65%	0.649	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.6	29.9	177.3	0	0	0	0	0	114.1	M233 N234	M233-G236 PolarHBondContact O-N 3.39Å; N234-G236 PolarHBondContact O-N 3.31Å
237	A	40.3	Very low	62.4	Low	65 Å²	65	96.4 Å²	96.4	54%	0.537	60%	0.604	S	S	.	*			trans	-61.9	135.7	-178	0	0	0	0	0	110.9	A235	A235-A237 VanDerWaalsContact C-N 3.29Å; A235-A237 PolarHBondContact O-N 3.49Å
238	P	37.3	Very low	60.5	Low	118 Å²	118	96.6 Å²	96.6	77%	0.766	62%	0.616	S	S	*	*			trans	-61	144.4	-173.3	-9.8	20	0	0	0	110.9	H240	P238-H240 PolarHBondContact O-N 3.4Å; P238-H240 VanDerWaalsContact O-N 3.12Å
239	S	35.1	Very low	58.3	Low	111 Å²	111	98.7 Å²	98.7	78%	0.776	64%	0.636	S	S	*	*			trans	-39.2	120	167	46	0	0	0	0	110.3	G241	S239-G241 PolarHBondContact O-N 2.94Å
240	H	38.5	Very low	55.9	Low	197 Å²	197	101.6 Å²	101.6	91%	0.912	66%	0.663	S	S	*	*			trans	-44.5	119.6	169.4	-95.9	-60.8	0	0	0	108.7	P238 I242	P238-H240 PolarHBondContact O-N 3.4Å; P238-H240 VanDerWaalsContact O-N 3.12Å; H240-I242 PolarHBondContact O-N 3.08Å
241	G	30.5	Very low	53.3	Low	62 Å²	62	108.1 Å²	108.1	64%	0.639	71%	0.705	S	S	*	*			trans	-51.8	133.7	-171.2	0	0	0	0	0	112	S239 I243	S239-G241 PolarHBondContact O-N 2.94Å; G241-I243 PolarHBondContact O-N 3.46Å; G241-I243 VanDerWaalsContact O-N 3.15Å
242	I	41.2	Very low	50.6	Low	167 Å²	167	111.6 Å²	111.6	86%	0.856	72%	0.721	S	S	*	*			trans	-53.5	109.7	143.8	-62.1	168.1	0	0	0	106.1	H240	H240-I242 PolarHBondContact O-N 3.08Å
243	I	36.5	Very low	47.8	Very low	169 Å²	169	116.5 Å²	116.5	87%	0.867	75%	0.754	S	S	*	*			trans	-103	108.8	147.6	-55.6	173.1	0	0	0	101.6	G241	G241-I243 PolarHBondContact O-N 3.46Å; G241-I243 VanDerWaalsContact O-N 3.15Å
244	G	36.8	Very low	44.6	Very low	49 Å²	49	117.9 Å²	117.9	51%	0.505	78%	0.775	S	S	.	*			cis	108	95.4	35.3	0	0	0	0	0	106.5
245	S	34	Very low	41.7	Very low	207 Å²	207	117.4 Å²	117.4	100%	1.448	79%	0.786	S	S	*	*			trans	76.2	0	172.3	-58.2	0	0	0	0	118.5

Retrieved 245 of 245 residues in 242.9 ms (Link to these results)

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