A0A080YUZ8_HUMAN Loading...

Lysozyme D1

AlphaFold DB , UniProt , Accession A0A080YUZ8, Species HUMAN (Homo sapiens, Human), Gene LYZD1, Length 194 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	41.3	Very low	37.1	Very low	242 Å²	242	146.5 Å²	146.5	100%	1.192	86%	0.858	S	S	*	*				0	141.7	0	-138.6	101.4	164.8	0	0	106.4
2	Q	35.7	Very low	36.9	Very low	198 Å²	198	145.8 Å²	145.8	93%	0.925	86%	0.857	S	S	*	*			trans	-72.9	148.5	-153.4	-71	144.1	-29.5	0	0	116.3
3	D	28	Very low	36.7	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	84%	0.843	S	S	*	*			trans	-89.5	149	167.9	-70.2	-69.5	0	0	0	112.6
4	A	36.8	Very low	36.2	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	84%	0.838	S	S	*	*			trans	64.4	-178.6	150.1	0	0	0	0	0	117.7
5	P	42.3	Very low	35.8	Very low	121 Å²	121	147.8 Å²	147.8	79%	0.786	83%	0.833	S	S	*	*				-127.1	163	-83.9	37.8	-23.6	0	0	0	113.5
6	L	35.5	Very low	35.7	Very low	175 Å²	175	144.9 Å²	144.9	92%	0.916	83%	0.825	S	S	*	*			trans	-114.7	102.1	174.3	-100.3	158.4	0	0	0	112.2
7	S	35.8	Very low	35.8	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-68.7	136	168.9	50.4	0	0	0	0	112.1
8	C	37.1	Very low	35.7	Very low	132 Å²	132	142.7 Å²	142.7	89%	0.892	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.2	130.3	168.2	-63.4	0	0	0	0	111.2
9	L	34.1	Very low	35.7	Very low	161 Å²	161	141.7 Å²	141.7	84%	0.843	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78	150.4	178.9	-73.5	150.3	0	0	0	112.2
10	S	36.7	Very low	35.6	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	82%	0.821	S	S	*	*			trans	-113.2	132.7	156.1	-70.5	0	0	0	0	109.2
11	P	44.7	Very low	35.4	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	82%	0.82	S	S	*	*				-143.1	166	127.7	28.7	-8.6	0	0	0	111.1
12	T	35.1	Very low	34.8	Very low	139 Å²	139	132.1 Å²	132.1	85%	0.853	79%	0.791	S	S	*	*			cis	-158.3	164.5	4	1.6	0	0	0	0	111.3
13	K	34.2	Very low	34.7	Very low	154 Å²	154	129.3 Å²	129.3	67%	0.67	79%	0.788	S	S	*	*			trans	-61.3	138.5	169.9	-152.6	176	-179.3	179.1	0	111.5
14	W	29.1	Very low	34.9	Very low	204 Å²	204	130 Å²	130	77%	0.773	79%	0.786	S	S	*	*				157.6	168.6	96.7	-109.1	-60.7	0	0	0	106.8
15	S	30.9	Very low	34.8	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	79%	0.793	S	S	*	*			cis	-150.1	158.4	2.4	45.4	0	0	0	0	114.2
16	S	33.3	Very low	34.3	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	79%	0.794	S	S	*	*			trans	-64	148.1	172.1	-11.6	0	0	0	0	115.9
17	V	37.4	Very low	34.3	Very low	153 Å²	153	131.5 Å²	131.5	93%	0.927	79%	0.787	S	S	*	*			trans	-132.4	146.9	147.1	177.1	0	0	0	0	107.3
18	S	35.1	Very low	34.1	Very low	96 Å²	96	133 Å²	133	67%	0.671	80%	0.798	S	S	*	*			trans	-152.7	166.8	-168.5	50.2	0	0	0	0	112.3
19	S	34.5	Very low	33.9	Very low	124 Å²	124	130.5 Å²	130.5	87%	0.867	79%	0.794	S	S	*	*			trans	83.6	139.6	177	-40.3	0	0	0	0	114.7
20	A	34.7	Very low	34	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	80%	0.798	S	S	*	*			cis	-148	146.6	-8.2	0	0	0	0	0	107.6
21	D	31.8	Very low	33.9	Very low	150 Å²	150	125.7 Å²	125.7	80%	0.802	79%	0.791	S	S	*	*				61	138.4	93.6	-148.3	45.3	0	0	0	114
22	S	28.3	Very low	33.5	Very low	84 Å²	84	126.6 Å²	126.6	59%	0.587	80%	0.795	S	S	*	*			cis	-159	177.4	15.1	-7	0	0	0	0	112.7
23	T	32.8	Very low	33.9	Very low	138 Å²	138	131.2 Å²	131.2	85%	0.847	80%	0.797	S	S	*	*			trans	104.8	131.3	150.1	-23.6	0	0	0	0	119.7
24	E	33.2	Very low	34.1	Very low	171 Å²	171	131.4 Å²	131.4	80%	0.799	81%	0.805	S	S	*	*			trans	-90.3	162.4	-173.3	-53.8	150.1	91.5	0	0	114.8
25	K	33.7	Very low	34.8	Very low	214 Å²	214	127.7 Å²	127.7	93%	0.93	80%	0.8	S	S	*	*				-163.8	146.1	121.8	-116.1	171	-177.4	173.5	0	115.2
26	S	31.9	Very low	35.4	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	80%	0.803	S	S	*	*			trans	-91.3	152.2	-175	-44.9	0	0	0	0	115.3
27	A	35.3	Very low	35.8	Very low	94 Å²	94	132.6 Å²	132.6	78%	0.777	81%	0.808	S	S	*	*			trans	-166.7	103.1	139.7	0	0	0	0	0	107.1
28	S	31.4	Very low	36.3	Very low	131 Å²	131	133.4 Å²	133.4	92%	0.916	80%	0.802	S	S	*	*				53.2	104.3	82	-157.7	0	0	0	0	113.9
29	G	33.3	Very low	36.6	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	82%	0.815	S	S	*	*			trans	-165	88.1	176.9	0	0	0	0	0	110.1
30	A	37	Very low	37.3	Very low	113 Å²	113	138.7 Å²	138.7	93%	0.934	81%	0.811	S	S	*	*			trans	-81.8	134.6	179.4	0	0	0	0	0	111.1
31	G	33.6	Very low	37.9	Very low	68 Å²	68	142.6 Å²	142.6	70%	0.701	82%	0.818	S	S	*	*			trans	-155.9	68.9	-175.7	0	0	0	0	0	113.2
32	T	37.7	Very low	38.7	Very low	130 Å²	130	146.9 Å²	146.9	80%	0.798	82%	0.823	S	S	*	*			trans	28.7	106.2	157.2	47.3	0	0	0	0	118.9	N34	T32-N34 PolarHBondContact O-N 3.41Å
33	R	42.4	Very low	39.3	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.891	84%	0.838	S	S	*	*			trans	-62.5	123.8	163	-60.2	170.2	180	167.6	-1.3	110.3
34	N	37.8	Very low	40	Very low	158 Å²	158	150.1 Å²	150.1	85%	0.845	84%	0.835	S	S	*	*			trans	-113.2	97.2	161.8	-87.9	-33.3	0	0	0	109.7	T32	T32-N34 PolarHBondContact O-N 3.41Å
35	L	43.8	Very low	40.8	Very low	126 Å²	126	149.9 Å²	149.9	66%	0.66	84%	0.839	S	S	*	*			trans	-89.6	143.6	166.9	-72.9	157.5	0	0	0	108.7	F37	L35-F37 HydrophobicContact CB-CB 4.3Å; L35-F37 HydrophobicContact CD2-CB 4.16Å; L35-F37 HydrophobicContact CD2-CD2 3.72Å; L35-F37 HydrophobicContact CD2-CG 4.3Å
36	P	44.8	Very low	41.3	Very low	128 Å²	128	151.5 Å²	151.5	83%	0.831	84%	0.839	S	S	*	*			trans	-109.1	48.1	143.8	35.2	-31.3	0	0	0	110.9	Q38	P36-Q38 PolarHBondContact O-N 2.66Å
37	F	42.2	Very low	42.4	Very low	186 Å²	186	154.9 Å²	154.9	82%	0.816	84%	0.844	S	S	*	*			trans	-72.8	62.2	157.5	-103.1	-98.9	0	0	0	109.3	L35	L35-F37 HydrophobicContact CB-CB 4.3Å; L35-F37 HydrophobicContact CD2-CB 4.16Å; L35-F37 HydrophobicContact CD2-CD2 3.72Å; L35-F37 HydrophobicContact CD2-CG 4.3Å
38	Q	47.1	Very low	42.8	Very low	169 Å²	169	160.3 Å²	160.3	79%	0.79	85%	0.85	S	S	*	*			trans	-142.4	61.6	174.8	-152.3	-169.5	26.1	0	0	113.1	P36	P36-Q38 PolarHBondContact O-N 2.66Å
39	F	41.5	Very low	43.7	Very low	216 Å²	216	159.2 Å²	159.2	95%	0.947	85%	0.849	S	S	*	*	S	Bend	trans	-140.7	19.9	152.7	-109.9	-73.1	0	0	0	114.4
40	C	49.4	Very low	44.5	Very low	116 Å²	116	160.4 Å²	160.4	78%	0.784	85%	0.851	S	S	*	*	S	Bend	trans	-124.9	66.4	179.5	-160.3	0	0	0	0	112.1
41	L	47	Very low	44.9	Very low	172 Å²	172	158.6 Å²	158.6	90%	0.901	84%	0.843	S	S	*	*			trans	-173.3	52	159	-108.3	150.9	0	0	0	115.1
42	R	48.3	Very low	46	Very low	240 Å²	240	163.7 Å²	163.7	91%	0.906	85%	0.853	S	S	*	*			trans	-148.8	119	149.8	-65.4	-167.9	-178.5	-157.4	0	105.5
43	Q	40.3	Very low	46.7	Very low	196 Å²	196	165 Å²	165	92%	0.916	85%	0.854	S	S	*	*			cis	-143.6	141.2	33.9	-62	154.1	62.3	0	0	110.5
44	A	49.3	Very low	47.4	Very low	94 Å²	94	158.2 Å²	158.2	78%	0.777	84%	0.839	S	S	*	*			trans	-132.3	95.4	167.9	0	0	0	0	0	109.5
45	L	48	Very low	48.3	Very low	167 Å²	167	159.5 Å²	159.5	87%	0.874	85%	0.845	S	S	*	*			trans	175.2	93.2	154.6	-103	149	0	0	0	110.6
46	R	45.3	Very low	49.2	Very low	247 Å²	247	159.9 Å²	159.9	93%	0.932	85%	0.846	S	S	*	*			trans	-169.6	88	133.2	-78.5	-130.8	174.3	-174.8	-2.7	108.8	K48	R46-K48 PolarHBondContact O-N 2.04Å
47	M	54	Low	49.9	Very low	186 Å²	186	156.6 Å²	156.6	92%	0.916	84%	0.835	S	S	*	*			trans	-71.1	123	168.8	-65.6	-178.1	-69.5	0	0	109.9
48	K	45.1	Very low	50.4	Low	209 Å²	209	152.6 Å²	152.6	91%	0.909	83%	0.829	S	S	*	*			trans	-138.7	125.2	144.2	-73.6	-162.1	174.6	-172.5	0	107.3	R46	R46-K48 PolarHBondContact O-N 2.04Å
49	A	49.6	Very low	50.6	Low	108 Å²	108	151.6 Å²	151.6	89%	0.893	83%	0.829	S	S	*	*			trans	-84.1	135.9	-169.7	0	0	0	0	0	112.3
50	A	49.9	Very low	51.3	Low	104 Å²	104	147.5 Å²	147.5	86%	0.86	82%	0.821	S	S	*	*			trans	167.8	140.2	134.4	0	0	0	0	0	110
51	G	46.8	Very low	51.7	Low	74 Å²	74	147.2 Å²	147.2	76%	0.763	82%	0.816	S	S	*	*			trans	105.3	98.4	170	0	0	0	0	0	114.4	L53	G51-L53 PolarHBondContact O-N 3.23Å; G51-L53 VanDerWaalsContact O-N 3.16Å
52	I	56.3	Low	52	Low	175 Å²	175	141.7 Å²	141.7	90%	0.897	80%	0.8	S	S	*	*			trans	-53.9	112.7	173.6	-62.7	157	0	0	0	110
53	L	52.8	Low	52.4	Low	157 Å²	157	133.3 Å²	133.3	82%	0.822	78%	0.783	S	S	*	*			trans	-124.3	77	170.8	-160.6	68.7	0	0	0	110.9	G51	G51-L53 PolarHBondContact O-N 3.23Å; G51-L53 VanDerWaalsContact O-N 3.16Å
54	T	56.1	Low	53.3	Low	95 Å²	95	131.5 Å²	131.5	58%	0.583	77%	0.774	S	S	*	*			trans	38	100.5	149.3	45.1	0	0	0	0	118.2	I56	T54-I56 VanDerWaalsContact C-N 3.27Å; T54-I56 PolarHBondContact O-N 3.1Å
55	L	57.5	Low	54.1	Low	184 Å²	184	130.9 Å²	130.9	96%	0.963	77%	0.765	S	S	*	*			trans	-58.1	87	150.9	-89.4	152.2	0	0	0	110.3	G57	L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.13Å
56	I	61.9	Low	56	Low	134 Å²	134	125.4 Å²	125.4	69%	0.687	73%	0.733	S	S	*	*			trans	-88.3	80.9	161.2	-56.5	-179.7	0	0	0	106.8	T54 C58	T54-I56 VanDerWaalsContact C-N 3.27Å; T54-I56 PolarHBondContact O-N 3.1Å; I56-C58 PolarHBondContact O-N 2.87Å
57	G	58.8	Low	58.4	Low	59 Å²	59	119.3 Å²	119.3	61%	0.608	72%	0.718	S	S	*	*			trans	-68.6	97.1	163.9	0	0	0	0	0	108.4	L55 L59	L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.13Å; G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 3.15Å
58	C	53.6	Low	60.4	Low	102 Å²	102	111.2 Å²	111.2	69%	0.689	68%	0.678	S	S	*	*			trans	-63.3	94.9	168.1	-75.1	0	0	0	0	108.9	I56 V60	I56-C58 PolarHBondContact O-N 2.87Å; C58-V60 HydrophobicContact CB-CG2 4.18Å; C58-V60 PolarHBondContact O-N 2.78Å
59	L	51.4	Low	62.9	Low	149 Å²	149	105.8 Å²	105.8	78%	0.78	66%	0.662	S	S	*	*			trans	-64.1	83.6	154.2	-104.5	77.9	0	0	0	107.1	G57 T61	G57-L59 VanDerWaalsContact C-N 3.3Å; G57-L59 PolarHBondContact O-N 3.15Å; L59-T61 HydrophobicContact CB-CG2 4.5Å; L59-T61 HydrophobicContact CD2-CG2 4.26Å; L59-T61 PolarHBondContact O-N 3.28Å
60	V	55.3	Low	65.1	Low	129 Å²	129	104.6 Å²	104.6	78%	0.782	64%	0.635	S	S	*	*			trans	-74.5	77.7	156.4	-173.6	0	0	0	0	105.7	C58 G62	C58-V60 HydrophobicContact CB-CG2 4.18Å; C58-V60 PolarHBondContact O-N 2.78Å; V60-G62 PolarHBondContact O-N 3.25Å; V60-G62 VanDerWaalsContact O-N 3.08Å
61	T	58.3	Low	67.4	Low	110 Å²	110	101.4 Å²	101.4	68%	0.675	61%	0.605	S	S	*	*			trans	-59.3	110.8	159.1	49.6	0	0	0	0	105.8	L59 A63	L59-T61 HydrophobicContact CB-CG2 4.5Å; L59-T61 HydrophobicContact CD2-CG2 4.26Å; L59-T61 PolarHBondContact O-N 3.28Å; T61-A63 PolarHBondContact O-N 2.85Å
62	G	52.7	Low	69.8	Low	56 Å²	56	103 Å²	103	58%	0.577	59%	0.591	S	S	*	*			trans	-53.4	136.7	172	0	0	0	0	0	108.9	V60 E64	V60-G62 PolarHBondContact O-N 3.25Å; V60-G62 VanDerWaalsContact O-N 3.08Å; G62-E64 PolarHBondContact O-N 3.22Å
63	A	57.8	Low	71.7	Confident	65 Å²	65	94.6 Å²	94.6	54%	0.537	55%	0.548	S	S	.	.			trans	-71.3	85.5	171.4	0	0	0	0	0	108	T61 S65	T61-A63 PolarHBondContact O-N 2.85Å; A63-S65 PolarHBondContact O-N 2.76Å
64	E	59.1	Low	73.9	Confident	157 Å²	157	87.1 Å²	87.1	73%	0.734	51%	0.509	S	S	*	.			trans	-53	125.1	165.9	-72.6	-74.5	142.5	0	0	108	G62 K66	G62-E64 PolarHBondContact O-N 3.22Å; E64-K66 PolarHBondContact O-N 2.65Å
65	S	65.4	Low	75.8	Confident	82 Å²	82	85.6 Å²	85.6	57%	0.573	50%	0.495	S	S	*	.			trans	-76	125.6	-177.9	55.9	0	0	0	0	110.5	A63 T106	A63-S65 PolarHBondContact O-N 2.76Å; S65-T106 WeakPolarHBondContact CB-OG1 3.15Å
66	K	87.4	Confident	77.7	Confident	51 Å²	51	79 Å²	79	22%	0.222	46%	0.459	C	S	.	.			trans	-123.1	112.5	-172.9	-170.2	168.5	-179.4	-174.6	0	111.8	E64 Y68 T105 D150	E64-K66 PolarHBondContact O-N 2.65Å; K66-Y68 HydrophobicContact CB-CE2 4.36Å; K66-Y68 HydrophobicContact CD-CD2 4.36Å; K66-Y68 HydrophobicContact CD-CE1 4.43Å; K66-Y68 HydrophobicContact CD-CE2 3.67Å; K66-Y68 VanDerWaalsContact CE-CZ 3.43Å; K66-Y68 WeakPolarHBondContact CE-OH 3.09Å; K66-Y68 HydrophobicContact CG-CD2 4.02Å; K66-Y68 HydrophobicContact CG-CE2 3.82Å; K66-Y68 PolarHBondContact NZ-OH 3.34Å; K66-T105 HydrophobicContact CB-CG2 4.39Å; K66-T105 PolarHBondContact N-OG1 2.63Å; K66-T105 WeakPolarHBondContact O-CG2 3.04Å; K66-T105 PolarHBondContact O-N 2.99Å; K66-T105 PolarHBondContact O-OG1 3.45Å; K66-D150 WeakPolarHBondContact CB-OD1 3.15Å; K66-D150 WeakPolarHBondContact CD-OD1 3.27Å; K66-D150 WeakPolarHBondContact CD-OD2 3.45Å; K66-D150 WeakPolarHBondContact CE-OD2 3.22Å; K66-D150 IonicContact NZ-OD1 2.65Å; K66-D150 IonicContact NZ-OD2 2.83Å; K66-D150 PolarHBondContact NZ-OD2 3.17Å
67	I	96.3	Very high	79.5	Confident	120 Å²	120	72.6 Å²	72.6	62%	0.615	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-86.2	110.5	167.8	-57.2	178.8	0	0	0	107.3	Y103 N104	I67-Y103 WeakPolarHBondContact CA-O 3.38Å; I67-N104 HydrophobicContact CG1-CB 4.07Å
68	Y	96.4	Very high	81.3	Confident	16 Å²	16	71.1 Å²	71.1	6%	0.063	41%	0.407	C	S	.	.			trans	-76.3	140.4	178.6	-85.8	-91.1	0	0	0	111.6	K66 K72 L73 I76 Y103 T105 I120 D150 L152	K66-Y68 HydrophobicContact CB-CE2 4.36Å; K66-Y68 HydrophobicContact CD-CD2 4.36Å; K66-Y68 HydrophobicContact CD-CE1 4.43Å; K66-Y68 HydrophobicContact CD-CE2 3.67Å; K66-Y68 VanDerWaalsContact CE-CZ 3.43Å; K66-Y68 WeakPolarHBondContact CE-OH 3.09Å; K66-Y68 HydrophobicContact CG-CD2 4.02Å; K66-Y68 HydrophobicContact CG-CE2 3.82Å; K66-Y68 PolarHBondContact NZ-OH 3.34Å; Y68-K72 HydrophobicContact CD1-CB 4.29Å; Y68-K72 HydrophobicContact CD1-CD 3.8Å; Y68-K72 HydrophobicContact CD1-CG 3.84Å; Y68-K72 HydrophobicContact CE1-CD 3.93Å; Y68-K72 HydrophobicContact CE1-CG 4.08Å; Y68-L73 HydrophobicContact CG-CD1 4.25Å; Y68-I76 HydrophobicContact CD1-CD1 3.91Å; Y68-I76 HydrophobicContact CE1-CD1 3.34Å; Y68-Y103 PolarHBondContact N-O 3.13Å; Y68-Y103 WeakPolarHBondContact O-CB 3.29Å; Y68-Y103 WeakPolarHBondContact O-CD2 3.46Å; Y68-T105 HydrophobicContact CD2-CG2 3.68Å; Y68-T105 HydrophobicContact CE2-CG2 3.5Å; Y68-I120 HydrophobicContact CD2-CD1 4.46Å; Y68-D150 PolarHBondContact OH-O 3.06Å; Y68-L152 HydrophobicContact CE2-CD1 4.29Å; Y68-L152 HydrophobicContact CE2-CD2 4.39Å; Y68-L152 HydrophobicContact CE2-CG 4.36Å
69	T	96.8	Very high	83.4	Confident	94 Å²	94	76 Å²	76	58%	0.577	41%	0.411	S	S	*	.			trans	-75.7	145.3	168.5	63.9	0	0	0	0	110.4	C71 K72 L73	T69-C71 VanDerWaalsContact C-N 3.31Å; T69-C71 PolarHBondContact O-N 3.25Å; T69-C71 VanDerWaalsContact O-N 3.13Å; T69-K72 PolarHBondContact O-N 3.17Å; T69-K72 VanDerWaalsContact OG1-CB 3.3Å; T69-K72 WeakPolarHBondContact OG1-CB 3.48Å; T69-L73 PolarHBondContact O-N 3.41Å
70	R	97.3	Very high	85.7	Confident	84 Å²	84	70.7 Å²	70.7	32%	0.317	39%	0.388	S	S	.	.	H	α-helix	trans	-41.2	-52.5	-179.7	-175.5	179.5	65.1	89.2	-3.3	113.4	L73 A74 I94 Y103 E186 W187 K189 C191	R70-L73 PolarHBondContact O-N 2.99Å; R70-A74 WeakPolarHBondContact O-CB 3.2Å; R70-A74 PolarHBondContact O-N 2.87Å; R70-I94 HydrophobicContact CG-CG2 3.84Å; R70-Y103 HydrophobicContact CB-CE2 4.11Å; R70-E186 PolarHBondContact NH1-O 2.79Å; R70-W187 WeakPolarHBondContact CD-O 3.33Å; R70-W187 VanDerWaalsContact NH1-C 3.34Å; R70-W187 PolarHBondContact NH1-O 3.23Å; R70-K189 PolarHBondContact NH1-O 2.99Å; R70-K189 PolarHBondContact NH2-O 2.97Å; R70-C191 PolarHBondContact NH1-SG 2.62Å
71	C	97.6	Very high	87.7	Confident	37 Å²	37	66.5 Å²	66.5	25%	0.25	37%	0.371	C	S	.	.	H	α-helix	trans	-78	-25.9	-176.8	-67.4	0	0	0	0	115	T69 L73 K75 C191	T69-C71 VanDerWaalsContact C-N 3.31Å; T69-C71 PolarHBondContact O-N 3.25Å; T69-C71 VanDerWaalsContact O-N 3.13Å; C71-L73 VanDerWaalsContact C-N 3.33Å; C71-K75 WeakPolarHBondContact O-CG 3.34Å; C71-K75 PolarHBondContact O-N 3.38Å; C71-K75 VanDerWaalsContact O-N 3.13Å; C71-C191 WeakPolarHBondContact CA-SG 3.01Å; C71-C191 HydrophobicContact CB-CB 3.61Å; C71-C191 WeakPolarHBondContact CB-SG 3.38Å; C71-C191 WeakPolarHBondContact SG-CA 3.1Å; C71-C191 WeakPolarHBondContact SG-CB 3.23Å; C71-C191 CovalentContact SG-SG 2.04Å; C71-C191 PolarHBondContact SG-SG 3.02Å
72	K	96.4	Very high	89.6	Confident	106 Å²	106	61.2 Å²	61.2	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-41.8	170	-171	174.9	-176.7	173.3	0	109.8	Y68 T69 K75 I76	Y68-K72 HydrophobicContact CD1-CB 4.29Å; Y68-K72 HydrophobicContact CD1-CD 3.8Å; Y68-K72 HydrophobicContact CD1-CG 3.84Å; Y68-K72 HydrophobicContact CE1-CD 3.93Å; Y68-K72 HydrophobicContact CE1-CG 4.08Å; T69-K72 PolarHBondContact O-N 3.17Å; T69-K72 VanDerWaalsContact OG1-CB 3.3Å; T69-K72 WeakPolarHBondContact OG1-CB 3.48Å; K72-K75 PolarHBondContact O-N 3.05Å; K72-I76 HydrophobicContact CG-CD1 4.45Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.96Å; K72-I76 VanDerWaalsContact O-N 3.17Å
73	L	97	Very high	91.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-44.5	176.1	-163.8	65.1	0	0	0	112.1	Y68 T69 R70 C71 K75 I76 F77 A97 Y103 I120 L152	Y68-L73 HydrophobicContact CG-CD1 4.25Å; T69-L73 PolarHBondContact O-N 3.41Å; R70-L73 PolarHBondContact O-N 2.99Å; C71-L73 VanDerWaalsContact C-N 3.33Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.31Å; L73-I76 PolarHBondContact O-N 3.12Å; L73-F77 HydrophobicContact CD1-CD1 4.12Å; L73-F77 HydrophobicContact CD1-CE1 3.45Å; L73-F77 VanDerWaalsContact CD1-CE1 3.45Å; L73-F77 HydrophobicContact CD1-CE2 4.13Å; L73-F77 HydrophobicContact CD1-CZ 3.45Å; L73-F77 VanDerWaalsContact CD1-CZ 3.45Å; L73-F77 HydrophobicContact CD2-CD2 4.48Å; L73-F77 HydrophobicContact CD2-CE1 4.46Å; L73-F77 HydrophobicContact CD2-CE2 3.65Å; L73-F77 HydrophobicContact CD2-CZ 3.63Å; L73-F77 HydrophobicContact CG-CD1 4.26Å; L73-F77 HydrophobicContact CG-CD2 4.04Å; L73-F77 HydrophobicContact CG-CE1 3.82Å; L73-F77 HydrophobicContact CG-CE2 3.58Å; L73-F77 HydrophobicContact CG-CG 4.37Å; L73-F77 HydrophobicContact CG-CZ 3.45Å; L73-F77 VanDerWaalsContact CG-CZ 3.45Å; L73-F77 WeakPolarHBondContact O-CG 3.41Å; L73-F77 PolarHBondContact O-N 2.92Å; L73-A97 HydrophobicContact CD2-CB 3.9Å; L73-Y103 HydrophobicContact CD2-CD1 3.3Å; L73-Y103 HydrophobicContact CD2-CE1 3.51Å; L73-Y103 HydrophobicContact CD2-CG 4.05Å; L73-I120 HydrophobicContact CD1-CD1 3.59Å; L73-I120 HydrophobicContact CD2-CD1 3.96Å; L73-I120 HydrophobicContact CG-CD1 4.46Å; L73-L152 HydrophobicContact CD1-CD1 3.46Å; L73-L152 VanDerWaalsContact CD1-CD1 3.46Å
74	A	98.1	Very high	93.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-54.2	-45.8	174.5	0	0	0	0	0	112.3	R70 I76 F77 S78 I94 C191 V193	R70-A74 WeakPolarHBondContact O-CB 3.2Å; R70-A74 PolarHBondContact O-N 2.87Å; A74-I76 VanDerWaalsContact C-N 3.34Å; A74-I76 PolarHBondContact O-N 3.36Å; A74-F77 PolarHBondContact O-N 2.85Å; A74-S78 VanDerWaalsContact O-CB 3.26Å; A74-S78 WeakPolarHBondContact O-CB 3.38Å; A74-S78 PolarHBondContact O-N 3.47Å; A74-I94 HydrophobicContact CB-CD1 3.48Å; A74-I94 VanDerWaalsContact CB-CD1 3.48Å; A74-I94 HydrophobicContact CB-CG1 4.3Å; A74-C191 HydrophobicContact CB-CB 3.97Å; A74-V193 HydrophobicContact CB-CG1 4.08Å
75	K	97.8	Very high	95.4	Very high	63 Å²	63	57.9 Å²	57.9	27%	0.274	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-34.2	176.7	-73.8	179.2	176.7	-174.4	0	112.6	C71 K72 L73 R79 E192 V193	C71-K75 WeakPolarHBondContact O-CG 3.34Å; C71-K75 PolarHBondContact O-N 3.38Å; C71-K75 VanDerWaalsContact O-N 3.13Å; K72-K75 PolarHBondContact O-N 3.05Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.31Å; K75-R79 WeakPolarHBondContact O-CB 3.45Å; K75-R79 VanDerWaalsContact O-CD 3.3Å; K75-R79 WeakPolarHBondContact O-CD 3.17Å; K75-R79 WeakPolarHBondContact O-CG 3.48Å; K75-R79 PolarHBondContact O-N 3.19Å; K75-E192 WeakPolarHBondContact CE-O 2.91Å; K75-E192 IonicContact NZ-OE2 2.66Å; K75-E192 PolarHBondContact NZ-OE2 3.17Å; K75-V193 HydrophobicContact CB-CG1 4.44Å; K75-V193 HydrophobicContact CG-CG1 3.77Å
76	I	97.4	Very high	96.9	Very high	44 Å²	44	60.1 Å²	60.1	23%	0.226	30%	0.297	C	S	.	.	H	α-helix	trans	-70.7	-49.8	175	-67.8	164.3	0	0	0	110.7	Y68 K72 L73 A74 S78 R79 A80 L152 I156	Y68-I76 HydrophobicContact CD1-CD1 3.91Å; Y68-I76 HydrophobicContact CE1-CD1 3.34Å; K72-I76 HydrophobicContact CG-CD1 4.45Å; K72-I76 WeakPolarHBondContact O-CG1 3.49Å; K72-I76 PolarHBondContact O-N 2.96Å; K72-I76 VanDerWaalsContact O-N 3.17Å; L73-I76 PolarHBondContact O-N 3.12Å; A74-I76 VanDerWaalsContact C-N 3.34Å; A74-I76 PolarHBondContact O-N 3.36Å; I76-S78 PolarHBondContact O-N 2.87Å; I76-R79 PolarHBondContact O-N 2.69Å; I76-A80 WeakPolarHBondContact O-CB 3.12Å; I76-A80 PolarHBondContact O-N 3.12Å; I76-L152 HydrophobicContact CG2-CD1 4.31Å; I76-I156 HydrophobicContact CG2-CD1 4.1Å
77	F	98.2	Very high	97.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-38.7	-178.3	-71.1	-2.5	0	0	0	112.7	L73 A74 A80 G81 L82 L90 W93 I94 A97 F121 L152 I156	L73-F77 HydrophobicContact CD1-CD1 4.12Å; L73-F77 HydrophobicContact CD1-CE1 3.45Å; L73-F77 VanDerWaalsContact CD1-CE1 3.45Å; L73-F77 HydrophobicContact CD1-CE2 4.13Å; L73-F77 HydrophobicContact CD1-CZ 3.45Å; L73-F77 VanDerWaalsContact CD1-CZ 3.45Å; L73-F77 HydrophobicContact CD2-CD2 4.48Å; L73-F77 HydrophobicContact CD2-CE1 4.46Å; L73-F77 HydrophobicContact CD2-CE2 3.65Å; L73-F77 HydrophobicContact CD2-CZ 3.63Å; L73-F77 HydrophobicContact CG-CD1 4.26Å; L73-F77 HydrophobicContact CG-CD2 4.04Å; L73-F77 HydrophobicContact CG-CE1 3.82Å; L73-F77 HydrophobicContact CG-CE2 3.58Å; L73-F77 HydrophobicContact CG-CG 4.37Å; L73-F77 HydrophobicContact CG-CZ 3.45Å; L73-F77 VanDerWaalsContact CG-CZ 3.45Å; L73-F77 WeakPolarHBondContact O-CG 3.41Å; L73-F77 PolarHBondContact O-N 2.92Å; A74-F77 PolarHBondContact O-N 2.85Å; F77-A80 PolarHBondContact O-N 3.08Å; F77-G81 PolarHBondContact O-N 3.38Å; F77-L82 HydrophobicContact CB-CB 4.28Å; F77-L82 HydrophobicContact CB-CD1 3.88Å; F77-L82 HydrophobicContact CD1-CD1 3.84Å; F77-L82 HydrophobicContact CD2-CD1 4.32Å; F77-L82 HydrophobicContact CE1-CD1 4.46Å; F77-L82 HydrophobicContact CG-CD1 3.77Å; F77-L82 WeakPolarHBondContact O-CB 3.3Å; F77-L82 PolarHBondContact O-N 3.31Å; F77-L90 HydrophobicContact CB-CD1 3.47Å; F77-L90 VanDerWaalsContact CB-CD1 3.47Å; F77-W93 HydrophobicContact CD2-CB 3.72Å; F77-W93 HydrophobicContact CE2-CB 4.06Å; F77-I94 HydrophobicContact CD2-CG1 4.09Å; F77-A97 HydrophobicContact CE2-CB 4.08Å; F77-A97 HydrophobicContact CZ-CB 4.14Å; F77-F121 HydrophobicContact CE1-CE1 4.05Å; F77-F121 AromaticContact CE1-CZ 3.55Å; F77-F121 HydrophobicContact CE1-CZ 3.55Å; F77-F121 HydrophobicContact CE2-CE1 4.02Å; F77-F121 HydrophobicContact CE2-CZ 4.3Å; F77-F121 AromaticContact CZ-CE1 3.37Å; F77-F121 HydrophobicContact CZ-CE1 3.37Å; F77-F121 AromaticContact CZ-CZ 3.4Å; F77-F121 HydrophobicContact CZ-CZ 3.4Å; F77-L152 HydrophobicContact CE1-CD1 4.03Å; F77-I156 HydrophobicContact CD1-CD1 4.01Å; F77-I156 HydrophobicContact CD1-CG1 4.46Å; F77-I156 HydrophobicContact CE1-CD1 4.16Å; F77-I156 HydrophobicContact CE1-CG1 4.3Å
78	S	98.1	Very high	97.5	Very high	28 Å²	28	57 Å²	57	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-52.8	171.7	158.3	0	0	0	0	110.9	A74 I76 A80 G81	A74-S78 VanDerWaalsContact O-CB 3.26Å; A74-S78 WeakPolarHBondContact O-CB 3.38Å; A74-S78 PolarHBondContact O-N 3.47Å; I76-S78 PolarHBondContact O-N 2.87Å; S78-A80 VanDerWaalsContact C-N 3.26Å; S78-A80 PolarHBondContact O-N 3.47Å; S78-G81 PolarHBondContact O-N 2.74Å
79	R	97.8	Very high	97.5	Very high	206 Å²	206	58.2 Å²	58.2	78%	0.777	31%	0.308	S	S	*	.	H	α-helix	trans	-62.2	-30.3	178.3	-71.1	169.9	-175.4	174.9	-1.5	113.8	K75 I76 G81	K75-R79 WeakPolarHBondContact O-CB 3.45Å; K75-R79 VanDerWaalsContact O-CD 3.3Å; K75-R79 WeakPolarHBondContact O-CD 3.17Å; K75-R79 WeakPolarHBondContact O-CG 3.48Å; K75-R79 PolarHBondContact O-N 3.19Å; I76-R79 PolarHBondContact O-N 2.69Å; R79-G81 PolarHBondContact O-N 3.45Å
80	A	97.9	Very high	97.6	Very high	36 Å²	36	53.7 Å²	53.7	30%	0.298	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	2.7	175.9	0	0	0	0	0	113.9	I76 F77 S78 I156	I76-A80 WeakPolarHBondContact O-CB 3.12Å; I76-A80 PolarHBondContact O-N 3.12Å; F77-A80 PolarHBondContact O-N 3.08Å; S78-A80 VanDerWaalsContact C-N 3.26Å; S78-A80 PolarHBondContact O-N 3.47Å; A80-I156 HydrophobicContact CB-CD1 3.94Å; A80-I156 HydrophobicContact CB-CG2 4.02Å
81	G	97.6	Very high	97.7	Very high	41 Å²	41	49.8 Å²	49.8	42%	0.423	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	35.1	177.4	0	0	0	0	0	113.7	F77 S78 R79	F77-G81 PolarHBondContact O-N 3.38Å; S78-G81 PolarHBondContact O-N 2.74Å; R79-G81 PolarHBondContact O-N 3.45Å
82	L	98.3	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.			trans	-87.5	-20.2	175.4	-65.4	-177.7	0	0	0	114	F77 N84 Y85 W93 I156 R160	F77-L82 HydrophobicContact CB-CB 4.28Å; F77-L82 HydrophobicContact CB-CD1 3.88Å; F77-L82 HydrophobicContact CD1-CD1 3.84Å; F77-L82 HydrophobicContact CD2-CD1 4.32Å; F77-L82 HydrophobicContact CE1-CD1 4.46Å; F77-L82 HydrophobicContact CG-CD1 3.77Å; F77-L82 WeakPolarHBondContact O-CB 3.3Å; F77-L82 PolarHBondContact O-N 3.31Å; L82-N84 PolarHBondContact O-N 2.86Å; L82-Y85 PolarHBondContact O-N 3.47Å; L82-W93 HydrophobicContact CB-CD2 4.17Å; L82-W93 HydrophobicContact CB-CG 3.98Å; L82-W93 HydrophobicContact CD1-CB 4.43Å; L82-W93 HydrophobicContact CD1-CD2 3.96Å; L82-W93 HydrophobicContact CD1-CE3 3.97Å; L82-W93 HydrophobicContact CD1-CG 4.16Å; L82-W93 HydrophobicContact CD2-CD2 4.19Å; L82-W93 HydrophobicContact CD2-CE3 4.34Å; L82-W93 HydrophobicContact CD2-CH2 4.16Å; L82-W93 HydrophobicContact CD2-CZ2 4.02Å; L82-W93 HydrophobicContact CD2-CZ3 4.33Å; L82-W93 HydrophobicContact CG-CD2 4.34Å; L82-W93 PolarHBondContact O-NE1 3.37Å; L82-I156 HydrophobicContact CD1-CG1 4.37Å; L82-I156 HydrophobicContact CD1-CG2 4.08Å; L82-I156 HydrophobicContact CD2-CG2 4.08Å; L82-I156 HydrophobicContact CG-CG2 4.22Å; L82-R160 HydrophobicContact CD2-CG 3.48Å; L82-R160 VanDerWaalsContact CD2-CG 3.48Å
83	D	97.3	Very high	97.8	Very high	46 Å²	46	44 Å²	44	25%	0.246	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	127.9	173.8	-151.9	-5.4	0	0	0	109.8	Y85 S89 L90 K188	D83-Y85 PolarHBondContact O-N 3.05Å; D83-S89 WeakPolarHBondContact OD1-CA 3.16Å; D83-L90 HydrophobicContact CB-CB 3.81Å; D83-L90 HydrophobicContact CB-CD1 4.49Å; D83-L90 VanDerWaalsContact CG-CB 3.43Å; D83-L90 PolarHBondContact OD1-N 2.91Å; D83-K188 IonicContact OD2-NZ 2.63Å; D83-K188 PolarHBondContact OD2-NZ 3.13Å
84	N	97.1	Very high	97.9	Very high	117 Å²	117	44 Å²	44	63%	0.626	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	14	-172.2	-57	-40.1	0	0	0	116.1	L82 W86 G87 F88	L82-N84 PolarHBondContact O-N 2.86Å; N84-W86 PolarHBondContact O-N 2.91Å; N84-G87 PolarHBondContact O-N 3.46Å; N84-G87 VanDerWaalsContact O-N 3.09Å; N84-F88 CarbonylContact C-O 3.56Å; N84-F88 VanDerWaalsContact CA-O 3.26Å; N84-F88 WeakPolarHBondContact CA-O 3.42Å; N84-F88 PolarHBondContact N-O 3.27Å
85	Y	98.1	Very high	97.9	Very high	45 Å²	45	44 Å²	44	18%	0.176	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-63.2	122.1	174.2	-174.8	-95.8	0	0	0	110.2	L82 D83 G87 F88 W93 R160 V163	L82-Y85 PolarHBondContact O-N 3.47Å; D83-Y85 PolarHBondContact O-N 3.05Å; Y85-G87 PolarHBondContact O-N 2.98Å; Y85-F88 PolarHBondContact N-O 3.29Å; Y85-F88 PolarHBondContact O-N 3.27Å; Y85-W93 HydrophobicContact CD1-CH2 4.46Å; Y85-W93 AromaticContact CD1-CZ2 3.91Å; Y85-W93 HydrophobicContact CD1-CZ2 3.91Å; Y85-R160 HydrophobicContact CD1-CB 4.5Å; Y85-R160 HydrophobicContact CD1-CG 4.15Å; Y85-R160 HydrophobicContact CE1-CB 3.77Å; Y85-R160 HydrophobicContact CE1-CG 3.9Å; Y85-R160 HydrophobicContact CE2-CG 4.42Å; Y85-R160 VanDerWaalsContact CE2-NE 3.3Å; Y85-R160 VanDerWaalsContact CE2-NH2 3.34Å; Y85-R160 HydrophobicContact CG-CG 4.49Å; Y85-R160 PolarHBondContact OH-O 3.27Å; Y85-V163 HydrophobicContact CD1-CG1 4.49Å; Y85-V163 HydrophobicContact CE1-CB 4.42Å; Y85-V163 HydrophobicContact CE1-CG1 4.38Å
86	W	97.1	Very high	98	Very high	129 Å²	129	41 Å²	41	49%	0.489	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.2	-174.3	-94.9	75.1	0	0	0	114.3	N84 F88 V163 K164	N84-W86 PolarHBondContact O-N 2.91Å; W86-F88 VanDerWaalsContact C-N 3.29Å; W86-F88 HydrophobicContact CB-CD2 4.11Å; W86-F88 HydrophobicContact CB-CE2 4.38Å; W86-F88 WeakPolarHBondContact O-CD2 3.36Å; W86-F88 PolarHBondContact O-N 3.02Å; W86-V163 HydrophobicContact CB-CG1 3.56Å; W86-V163 HydrophobicContact CD2-CG1 4.36Å; W86-V163 HydrophobicContact CG-CG1 3.86Å; W86-K164 HydrophobicContact CZ2-CB 4.31Å; W86-K164 HydrophobicContact CZ2-CG 3.82Å
87	G	96.8	Very high	98	Very high	67 Å²	67	38.9 Å²	38.9	69%	0.691	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.1	-177.9	0	0	0	0	0	114.7	N84 Y85	N84-G87 PolarHBondContact O-N 3.46Å; N84-G87 VanDerWaalsContact O-N 3.09Å; Y85-G87 PolarHBondContact O-N 2.98Å
88	F	98	Very high	98	Very high	39 Å²	39	44.3 Å²	44.3	17%	0.171	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-88.5	118.9	176.2	-63.4	-84.8	0	0	0	110.4	N84 Y85 W86 N92 V163 M169 W175	N84-F88 CarbonylContact C-O 3.56Å; N84-F88 VanDerWaalsContact CA-O 3.26Å; N84-F88 WeakPolarHBondContact CA-O 3.42Å; N84-F88 PolarHBondContact N-O 3.27Å; Y85-F88 PolarHBondContact N-O 3.29Å; Y85-F88 PolarHBondContact O-N 3.27Å; W86-F88 VanDerWaalsContact C-N 3.29Å; W86-F88 HydrophobicContact CB-CD2 4.11Å; W86-F88 HydrophobicContact CB-CE2 4.38Å; W86-F88 WeakPolarHBondContact O-CD2 3.36Å; W86-F88 PolarHBondContact O-N 3.02Å; F88-N92 HydrophobicContact CB-CB 4.11Å; F88-N92 HydrophobicContact CD1-CB 4.36Å; F88-V163 HydrophobicContact CD2-CG1 4.16Å; F88-V163 HydrophobicContact CE2-CG1 4.1Å; F88-M169 HydrophobicContact CB-SD 3.99Å; F88-M169 HydrophobicContact CD1-CB 4.47Å; F88-M169 HydrophobicContact CD1-CG 3.74Å; F88-M169 HydrophobicContact CD1-SD 3.54Å; F88-M169 VanDerWaalsContact CD1-SD 3.54Å; F88-M169 HydrophobicContact CD2-CG 4.14Å; F88-M169 HydrophobicContact CD2-SD 4.45Å; F88-M169 HydrophobicContact CE1-CB 4.13Å; F88-M169 HydrophobicContact CE1-CG 3.79Å; F88-M169 HydrophobicContact CE1-SD 4.16Å; F88-M169 HydrophobicContact CE2-CG 4.21Å; F88-M169 HydrophobicContact CG-CG 3.93Å; F88-M169 HydrophobicContact CG-SD 3.71Å; F88-M169 HydrophobicContact CZ-CB 4.43Å; F88-M169 HydrophobicContact CZ-CG 4.04Å; F88-W175 HydrophobicContact CD1-CZ2 4.18Å; F88-W175 HydrophobicContact CE1-CH2 4.06Å; F88-W175 AromaticContact CE1-CZ2 3.75Å; F88-W175 HydrophobicContact CE1-CZ2 3.75Å
89	S	97.9	Very high	98.1	Very high	40 Å²	40	47.5 Å²	47.5	28%	0.28	24%	0.244	S	C	.	.			trans	-63.5	158.2	175.4	69.3	0	0	0	0	111.9	D83 G91 N92	D83-S89 WeakPolarHBondContact OD1-CA 3.16Å; S89-G91 PolarHBondContact O-N 3.04Å; S89-N92 PolarHBondContact N-ND2 3.37Å; S89-N92 VanDerWaalsContact O-CB 3.29Å; S89-N92 WeakPolarHBondContact O-CB 3.45Å; S89-N92 PolarHBondContact O-N 3.36Å; S89-N92 PolarHBondContact OG-ND2 3.39Å
90	L	98.1	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-52.1	-32.4	176.7	-172.9	68.3	0	0	0	113.1	F77 D83 N92 W93 I94 K188 V193	F77-L90 HydrophobicContact CB-CD1 3.47Å; F77-L90 VanDerWaalsContact CB-CD1 3.47Å; D83-L90 HydrophobicContact CB-CB 3.81Å; D83-L90 HydrophobicContact CB-CD1 4.49Å; D83-L90 VanDerWaalsContact CG-CB 3.43Å; D83-L90 PolarHBondContact OD1-N 2.91Å; L90-N92 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 2.82Å; L90-W93 PolarHBondContact O-N 3.2Å; L90-I94 HydrophobicContact CD2-CD1 4.2Å; L90-I94 HydrophobicContact CG-CD1 3.79Å; L90-I94 HydrophobicContact CG-CG1 4.38Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.12Å; L90-I94 VanDerWaalsContact O-N 3.09Å; L90-K188 HydrophobicContact CB-CD 4.3Å; L90-K188 HydrophobicContact CD2-CB 4.3Å; L90-K188 HydrophobicContact CD2-CD 4.14Å; L90-V193 HydrophobicContact CD2-CB 4.34Å; L90-V193 HydrophobicContact CD2-CG1 4.48Å; L90-V193 HydrophobicContact CD2-CG2 3.87Å
91	G	98.3	Very high	98.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-32.8	175.6	0	0	0	0	0	113.5	S89 C95	S89-G91 PolarHBondContact O-N 3.04Å; G91-C95 WeakPolarHBondContact O-CB 3.2Å; G91-C95 PolarHBondContact O-N 3.26Å
92	N	98.6	Very high	98.2	Very high	22 Å²	22	38.4 Å²	38.4	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-46.3	174.5	-75.9	-86.1	0	0	0	111.6	F88 S89 L90 C95 M96 M169 W175 L184	F88-N92 HydrophobicContact CB-CB 4.11Å; F88-N92 HydrophobicContact CD1-CB 4.36Å; S89-N92 PolarHBondContact N-ND2 3.37Å; S89-N92 VanDerWaalsContact O-CB 3.29Å; S89-N92 WeakPolarHBondContact O-CB 3.45Å; S89-N92 PolarHBondContact O-N 3.36Å; S89-N92 PolarHBondContact OG-ND2 3.39Å; L90-N92 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 2.82Å; N92-C95 PolarHBondContact O-N 3.3Å; N92-M96 VanDerWaalsContact O-CB 3.26Å; N92-M96 WeakPolarHBondContact O-CB 3.3Å; N92-M96 PolarHBondContact O-N 2.78Å; N92-M169 HydrophobicContact CB-SD 3.75Å; N92-W175 PolarHBondContact OD1-NE1 3.07Å; N92-L184 HydrophobicContact CB-CD1 4.18Å; N92-L184 WeakPolarHBondContact OD1-CD1 3.42Å
93	W	98.7	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-42.7	179.1	-63.1	96.2	0	0	0	112.4	F77 L82 Y85 L90 M96 A97 A159 V163 M169	F77-W93 HydrophobicContact CD2-CB 3.72Å; F77-W93 HydrophobicContact CE2-CB 4.06Å; L82-W93 HydrophobicContact CB-CD2 4.17Å; L82-W93 HydrophobicContact CB-CG 3.98Å; L82-W93 HydrophobicContact CD1-CB 4.43Å; L82-W93 HydrophobicContact CD1-CD2 3.96Å; L82-W93 HydrophobicContact CD1-CE3 3.97Å; L82-W93 HydrophobicContact CD1-CG 4.16Å; L82-W93 HydrophobicContact CD2-CD2 4.19Å; L82-W93 HydrophobicContact CD2-CE3 4.34Å; L82-W93 HydrophobicContact CD2-CH2 4.16Å; L82-W93 HydrophobicContact CD2-CZ2 4.02Å; L82-W93 HydrophobicContact CD2-CZ3 4.33Å; L82-W93 HydrophobicContact CG-CD2 4.34Å; L82-W93 PolarHBondContact O-NE1 3.37Å; Y85-W93 HydrophobicContact CD1-CH2 4.46Å; Y85-W93 AromaticContact CD1-CZ2 3.91Å; Y85-W93 HydrophobicContact CD1-CZ2 3.91Å; L90-W93 PolarHBondContact O-N 3.2Å; W93-M96 HydrophobicContact CE3-CE 3.81Å; W93-M96 HydrophobicContact CZ3-CE 4.01Å; W93-A97 WeakPolarHBondContact O-CB 3.46Å; W93-A97 PolarHBondContact O-N 3.25Å; W93-A159 HydrophobicContact CZ3-CB 3.98Å; W93-V163 HydrophobicContact CH2-CB 4.36Å; W93-V163 HydrophobicContact CH2-CG2 3.49Å; W93-V163 VanDerWaalsContact CH2-CG2 3.49Å; W93-V163 HydrophobicContact CZ2-CG2 3.98Å; W93-V163 HydrophobicContact CZ3-CG2 4.36Å; W93-M169 HydrophobicContact CD2-CE 4.11Å; W93-M169 HydrophobicContact CE3-CE 3.99Å; W93-M169 HydrophobicContact CZ3-CE 4.23Å
94	I	98.6	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-36.7	177.4	-60.3	164.2	0	0	0	111.3	R70 A74 F77 L90 Y98 Y103 W187 K188	R70-I94 HydrophobicContact CG-CG2 3.84Å; A74-I94 HydrophobicContact CB-CD1 3.48Å; A74-I94 VanDerWaalsContact CB-CD1 3.48Å; A74-I94 HydrophobicContact CB-CG1 4.3Å; F77-I94 HydrophobicContact CD2-CG1 4.09Å; L90-I94 HydrophobicContact CD2-CD1 4.2Å; L90-I94 HydrophobicContact CG-CD1 3.79Å; L90-I94 HydrophobicContact CG-CG1 4.38Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.12Å; L90-I94 VanDerWaalsContact O-N 3.09Å; I94-Y98 PolarHBondContact O-N 2.95Å; I94-Y103 HydrophobicContact CG2-CE1 4.44Å; I94-Y103 WeakPolarHBondContact CG2-OH 3.28Å; I94-Y103 VanDerWaalsContact O-CE1 3.25Å; I94-Y103 WeakPolarHBondContact O-CE1 3.43Å; I94-Y103 PolarHBondContact O-OH 3.14Å; I94-Y103 VanDerWaalsContact O-OH 3.05Å; I94-W187 HydrophobicContact CB-CB 4.24Å; I94-W187 HydrophobicContact CG2-CB 4.14Å; I94-W187 HydrophobicContact CG2-CE3 3.86Å; I94-K188 HydrophobicContact CD1-CB 4.21Å
95	C	98.7	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-46.2	176.4	-175.6	0	0	0	0	111.4	G91 N92 Y98 Y99 C179 L184 W187	G91-C95 WeakPolarHBondContact O-CB 3.2Å; G91-C95 PolarHBondContact O-N 3.26Å; N92-C95 PolarHBondContact O-N 3.3Å; C95-Y98 WeakPolarHBondContact O-CB 3.18Å; C95-Y98 PolarHBondContact O-N 3.05Å; C95-Y99 WeakPolarHBondContact O-CD2 3.41Å; C95-Y99 PolarHBondContact O-N 3.4Å; C95-Y99 VanDerWaalsContact O-N 3.14Å; C95-C179 HydrophobicContact CB-CB 3.85Å; C95-C179 WeakPolarHBondContact CB-SG 3.39Å; C95-C179 WeakPolarHBondContact SG-CB 3.19Å; C95-C179 CovalentContact SG-SG 2.03Å; C95-C179 PolarHBondContact SG-SG 3.16Å; C95-L184 HydrophobicContact CB-CD1 4.28Å; C95-L184 HydrophobicContact CB-CD2 4.22Å; C95-W187 HydrophobicContact CB-CD2 3.84Å; C95-W187 HydrophobicContact CB-CE3 4.45Å; C95-W187 HydrophobicContact CB-CG 4.11Å; C95-W187 HydrophobicContact CB-CZ2 3.97Å; C95-W187 VanDerWaalsContact SG-CE2 3.55Å; C95-W187 VanDerWaalsContact SG-CZ2 3.51Å
96	M	98.8	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-54.6	176.5	179.6	-92.8	-78.4	0	0	111.3	N92 W93 Y98 Y99 E100 F121 M169 W172 W175	N92-M96 VanDerWaalsContact O-CB 3.26Å; N92-M96 WeakPolarHBondContact O-CB 3.3Å; N92-M96 PolarHBondContact O-N 2.78Å; W93-M96 HydrophobicContact CE3-CE 3.81Å; W93-M96 HydrophobicContact CZ3-CE 4.01Å; M96-Y98 PolarHBondContact O-N 3.19Å; M96-Y99 PolarHBondContact O-N 3.4Å; M96-Y99 VanDerWaalsContact O-N 3.07Å; M96-E100 HydrophobicContact CG-CG 3.95Å; M96-E100 WeakPolarHBondContact O-CB 3.39Å; M96-E100 VanDerWaalsContact O-CG 3.3Å; M96-E100 WeakPolarHBondContact O-CG 3.26Å; M96-E100 PolarHBondContact O-N 3.04Å; M96-E100 HydrophobicContact SD-CG 3.92Å; M96-F121 HydrophobicContact CE-CB 4.5Å; M96-F121 HydrophobicContact CE-CD1 3.47Å; M96-F121 VanDerWaalsContact CE-CD1 3.47Å; M96-F121 HydrophobicContact CE-CE1 3.88Å; M96-F121 HydrophobicContact CE-CG 4.2Å; M96-F121 HydrophobicContact SD-CB 4.35Å; M96-F121 HydrophobicContact SD-CD1 3.63Å; M96-F121 HydrophobicContact SD-CE1 4.4Å; M96-F121 HydrophobicContact SD-CG 4.41Å; M96-M169 HydrophobicContact CB-CE 3.79Å; M96-M169 HydrophobicContact CE-CE 3.68Å; M96-M169 HydrophobicContact CG-CE 3.97Å; M96-W172 HydrophobicContact CE-CD2 3.86Å; M96-W172 HydrophobicContact CE-CE3 4.22Å; M96-W172 HydrophobicContact CE-CG 4.41Å; M96-W172 HydrophobicContact CE-CH2 4.23Å; M96-W172 HydrophobicContact CE-CZ2 3.85Å; M96-W172 HydrophobicContact CE-CZ3 4.42Å; M96-W172 HydrophobicContact CG-CB 3.83Å; M96-W172 HydrophobicContact CG-CD2 3.93Å; M96-W172 HydrophobicContact CG-CE3 4.49Å; M96-W172 HydrophobicContact CG-CG 3.61Å; M96-W172 HydrophobicContact SD-CD2 3.96Å; M96-W172 HydrophobicContact SD-CG 3.88Å; M96-W175 HydrophobicContact CB-CB 3.87Å; M96-W175 HydrophobicContact CB-CG 4.25Å; M96-W175 HydrophobicContact CG-CB 3.81Å
97	A	98.7	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.2	-25.1	-179.6	0	0	0	0	0	113.7	L73 F77 W93 S101 Y103 I120 F121	L73-A97 HydrophobicContact CD2-CB 3.9Å; F77-A97 HydrophobicContact CE2-CB 4.08Å; F77-A97 HydrophobicContact CZ-CB 4.14Å; W93-A97 WeakPolarHBondContact O-CB 3.46Å; W93-A97 PolarHBondContact O-N 3.25Å; A97-S101 PolarHBondContact O-N 2.78Å; A97-S101 PolarHBondContact O-OG 3.09Å; A97-Y103 HydrophobicContact CB-CD1 3.94Å; A97-Y103 HydrophobicContact CB-CE1 4.01Å; A97-Y103 PolarHBondContact O-N 3.26Å; A97-I120 HydrophobicContact CB-CG1 4.18Å; A97-F121 HydrophobicContact CB-CD1 4.21Å; A97-F121 HydrophobicContact CB-CE1 4.08Å
98	Y	98.6	Very high	98.2	Very high	113 Å²	113	29 Å²	29	44%	0.443	15%	0.149	S	C	.	.	H	α-helix	trans	-73.9	-50.2	173.7	-175.9	-100.5	0	0	0	111.9	I94 C95 M96 E100 G102 Y103 W187	I94-Y98 PolarHBondContact O-N 2.95Å; C95-Y98 WeakPolarHBondContact O-CB 3.18Å; C95-Y98 PolarHBondContact O-N 3.05Å; M96-Y98 PolarHBondContact O-N 3.19Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; Y98-G102 VanDerWaalsContact O-CA 3.28Å; Y98-G102 WeakPolarHBondContact O-CA 3.27Å; Y98-G102 PolarHBondContact O-N 2.87Å; Y98-Y103 HydrophobicContact CD2-CD2 4.12Å; Y98-Y103 HydrophobicContact CD2-CE1 4.34Å; Y98-Y103 AromaticContact CD2-CE2 3.68Å; Y98-Y103 HydrophobicContact CD2-CE2 3.68Å; Y98-Y103 AromaticContact CD2-CZ 3.81Å; Y98-W187 AromaticContact CD1-CH2 3.69Å; Y98-W187 HydrophobicContact CD1-CH2 3.69Å; Y98-W187 HydrophobicContact CD1-CZ3 4.21Å; Y98-W187 HydrophobicContact CD2-CZ3 4.43Å; Y98-W187 HydrophobicContact CE1-CH2 4.43Å; Y98-W187 AromaticContact CG-CH2 3.82Å; Y98-W187 HydrophobicContact CG-CH2 3.82Å; Y98-W187 AromaticContact CG-CZ3 3.86Å; Y98-W187 HydrophobicContact CG-CZ3 3.86Å
99	Y	98.6	Very high	98.2	Very high	95 Å²	95	30.1 Å²	30.1	37%	0.373	16%	0.16	S	C	.	.	H	α-helix	trans	-76.9	-19.9	-175.5	-77.3	-73.1	0	0	0	114.3	C95 M96 H178 W187	C95-Y99 WeakPolarHBondContact O-CD2 3.41Å; C95-Y99 PolarHBondContact O-N 3.4Å; C95-Y99 VanDerWaalsContact O-N 3.14Å; M96-Y99 PolarHBondContact O-N 3.4Å; M96-Y99 VanDerWaalsContact O-N 3.07Å; Y99-H178 HydrophobicContact CD1-CB 3.7Å; Y99-H178 AromaticContact CD1-CD2 3.55Å; Y99-H178 AromaticContact CD1-CG 3.47Å; Y99-H178 VanDerWaalsContact CD1-CG 3.47Å; Y99-H178 AromaticContact CD1-ND1 3.94Å; Y99-H178 HydrophobicContact CD2-CB 3.43Å; Y99-H178 VanDerWaalsContact CD2-CB 3.43Å; Y99-H178 HydrophobicContact CE1-CB 3.67Å; Y99-H178 AromaticContact CE1-CD2 3.93Å; Y99-H178 AromaticContact CE1-CE1 3.99Å; Y99-H178 AromaticContact CE1-CG 3.43Å; Y99-H178 VanDerWaalsContact CE1-CG 3.43Å; Y99-H178 AromaticContact CE1-ND1 3.49Å; Y99-H178 WeakPolarHBondContact CE1-ND1 3.49Å; Y99-H178 HydrophobicContact CE2-CB 3.38Å; Y99-H178 HydrophobicContact CG-CB 3.58Å; Y99-H178 AromaticContact CG-CD2 3.99Å; Y99-H178 AromaticContact CG-CG 3.85Å; Y99-H178 VanDerWaalsContact CZ-CB 3.5Å; Y99-H178 AromaticContact CZ-CG 3.78Å; Y99-H178 AromaticContact CZ-ND1 3.87Å; Y99-W187 HydrophobicContact CD2-CH2 4.48Å; Y99-W187 AromaticContact CE2-CH2 3.93Å; Y99-W187 HydrophobicContact CE2-CH2 3.93Å; Y99-W187 AromaticContact CE2-CZ2 3.79Å; Y99-W187 HydrophobicContact CE2-CZ2 3.79Å
100	E	98.6	Very high	98.2	Very high	41 Å²	41	33.2 Å²	33.2	19%	0.192	18%	0.177	C	C	.	.	H	α-helix	trans	-83.7	-43.9	174	-62.6	-59.8	154.1	0	0	112.4	M96 Y98 Q122 W172 Q173 G174 W175	M96-E100 HydrophobicContact CG-CG 3.95Å; M96-E100 WeakPolarHBondContact O-CB 3.39Å; M96-E100 VanDerWaalsContact O-CG 3.3Å; M96-E100 WeakPolarHBondContact O-CG 3.26Å; M96-E100 PolarHBondContact O-N 3.04Å; M96-E100 HydrophobicContact SD-CG 3.92Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; E100-Q122 HydrophobicContact CB-CB 4.11Å; E100-Q122 HydrophobicContact CB-CG 3.85Å; E100-Q122 WeakPolarHBondContact O-CG 3.22Å; E100-W172 HydrophobicContact CG-CB 4.36Å; E100-W172 HydrophobicContact CG-CG 4.27Å; E100-W172 WeakPolarHBondContact OE1-CA 3.36Å; E100-W172 VanDerWaalsContact OE1-CB 3.26Å; E100-W172 WeakPolarHBondContact OE1-CB 3.06Å; E100-Q173 PolarHBondContact OE1-N 3.39Å; E100-G174 WeakPolarHBondContact OE1-CA 3.47Å; E100-G174 PolarHBondContact OE1-N 2.89Å; E100-W175 PolarHBondContact OE1-N 3.01Å
101	S	98.5	Very high	98.1	Very high	17 Å²	17	36.4 Å²	36.4	12%	0.119	19%	0.194	C	C	.	.	H	α-helix	trans	-134.1	-2.6	-169.8	68.7	0	0	0	0	116.1	A97 Y103 N104 I120	A97-S101 PolarHBondContact O-N 2.78Å; A97-S101 PolarHBondContact O-OG 3.09Å; S101-Y103 PolarHBondContact O-N 3.02Å; S101-Y103 PolarHBondContact OG-N 2.86Å; S101-N104 VanDerWaalsContact O-CB 3.27Å; S101-N104 WeakPolarHBondContact O-CB 3.25Å; S101-N104 PolarHBondContact O-N 3.07Å; S101-N104 VanDerWaalsContact O-N 3.12Å; S101-I120 WeakPolarHBondContact CB-O 3.45Å; S101-I120 VanDerWaalsContact OG-CA 3.32Å; S101-I120 WeakPolarHBondContact OG-CA 3.24Å; S101-I120 PolarHBondContact OG-O 3.38Å
102	G	98.3	Very high	97.9	Very high	35 Å²	35	45.1 Å²	45.1	36%	0.361	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	28.6	-168.4	0	0	0	0	0	113.1	Y98 N104	Y98-G102 VanDerWaalsContact O-CA 3.28Å; Y98-G102 WeakPolarHBondContact O-CA 3.27Å; Y98-G102 PolarHBondContact O-N 2.87Å; G102-N104 VanDerWaalsContact C-N 3.26Å; G102-N104 PolarHBondContact O-N 3.04Å
103	Y	98.3	Very high	97.6	Very high	14 Å²	14	48.9 Å²	48.9	6%	0.055	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	15.1	-172.2	-49.7	-42.9	0	0	0	116.4	I67 Y68 R70 L73 I94 A97 Y98 S101 W187	I67-Y103 WeakPolarHBondContact CA-O 3.38Å; Y68-Y103 PolarHBondContact N-O 3.13Å; Y68-Y103 WeakPolarHBondContact O-CB 3.29Å; Y68-Y103 WeakPolarHBondContact O-CD2 3.46Å; R70-Y103 HydrophobicContact CB-CE2 4.11Å; L73-Y103 HydrophobicContact CD2-CD1 3.3Å; L73-Y103 HydrophobicContact CD2-CE1 3.51Å; L73-Y103 HydrophobicContact CD2-CG 4.05Å; I94-Y103 HydrophobicContact CG2-CE1 4.44Å; I94-Y103 WeakPolarHBondContact CG2-OH 3.28Å; I94-Y103 VanDerWaalsContact O-CE1 3.25Å; I94-Y103 WeakPolarHBondContact O-CE1 3.43Å; I94-Y103 PolarHBondContact O-OH 3.14Å; I94-Y103 VanDerWaalsContact O-OH 3.05Å; A97-Y103 HydrophobicContact CB-CD1 3.94Å; A97-Y103 HydrophobicContact CB-CE1 4.01Å; A97-Y103 PolarHBondContact O-N 3.26Å; Y98-Y103 HydrophobicContact CD2-CD2 4.12Å; Y98-Y103 HydrophobicContact CD2-CE1 4.34Å; Y98-Y103 AromaticContact CD2-CE2 3.68Å; Y98-Y103 HydrophobicContact CD2-CE2 3.68Å; Y98-Y103 AromaticContact CD2-CZ 3.81Å; S101-Y103 PolarHBondContact O-N 3.02Å; S101-Y103 PolarHBondContact OG-N 2.86Å; Y103-W187 WeakPolarHBondContact OH-CZ3 3.45Å
104	N	97.9	Very high	97.3	Very high	41 Å²	41	50.9 Å²	50.9	22%	0.219	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-81.9	115.9	178.7	-177.6	-0.9	0	0	0	111.3	I67 S101 G102 T106 A107	I67-N104 HydrophobicContact CG1-CB 4.07Å; S101-N104 VanDerWaalsContact O-CB 3.27Å; S101-N104 WeakPolarHBondContact O-CB 3.25Å; S101-N104 PolarHBondContact O-N 3.07Å; S101-N104 VanDerWaalsContact O-N 3.12Å; G102-N104 VanDerWaalsContact C-N 3.26Å; G102-N104 PolarHBondContact O-N 3.04Å; N104-T106 VanDerWaalsContact C-N 3.29Å; N104-T106 PolarHBondContact O-N 3.38Å; N104-T106 PolarHBondContact OD1-N 3.46Å; N104-T106 PolarHBondContact OD1-OG1 3.17Å; N104-A107 HydrophobicContact CB-CB 4.16Å; N104-A107 WeakPolarHBondContact O-CB 3.37Å; N104-A107 PolarHBondContact O-N 2.03Å
105	T	97.6	Very high	97.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.2	178.8	54.9	0	0	0	0	114.4	K66 Y68 G119 I148 T149 L152	K66-T105 HydrophobicContact CB-CG2 4.39Å; K66-T105 PolarHBondContact N-OG1 2.63Å; K66-T105 WeakPolarHBondContact O-CG2 3.04Å; K66-T105 PolarHBondContact O-N 2.99Å; K66-T105 PolarHBondContact O-OG1 3.45Å; Y68-T105 HydrophobicContact CD2-CG2 3.68Å; Y68-T105 HydrophobicContact CE2-CG2 3.5Å; T105-G119 WeakPolarHBondContact O-CA 3.31Å; T105-I148 VanDerWaalsContact O-CA 3.29Å; T105-I148 WeakPolarHBondContact O-CA 3.29Å; T105-T149 WeakPolarHBondContact CB-O 3.28Å; T105-L152 HydrophobicContact CG2-CD2 3.65Å
106	T	96.9	Very high	97	Very high	30 Å²	30	52.6 Å²	52.6	18%	0.184	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	14.8	-178.4	63.8	0	0	0	0	112.9	S65 N104 Q108	S65-T106 WeakPolarHBondContact CB-OG1 3.15Å; N104-T106 VanDerWaalsContact C-N 3.29Å; N104-T106 PolarHBondContact O-N 3.38Å; N104-T106 PolarHBondContact OD1-N 3.46Å; N104-T106 PolarHBondContact OD1-OG1 3.17Å; T106-Q108 PolarHBondContact O-N 3.09Å
107	A	97.8	Very high	97	Very high	15 Å²	15	53.7 Å²	53.7	12%	0.124	30%	0.296	C	S	.	.			trans	-56.6	132.1	175.5	0	0	0	0	0	110.8	N104 G119 Q122	N104-A107 HydrophobicContact CB-CB 4.16Å; N104-A107 WeakPolarHBondContact O-CB 3.37Å; N104-A107 PolarHBondContact O-N 2.03Å; A107-G119 WeakPolarHBondContact O-CA 3.34Å; A107-G119 PolarHBondContact O-N 3.44Å; A107-Q122 PolarHBondContact O-NE2 3.31Å
108	Q	97.6	Very high	97	Very high	105 Å²	105	54.5 Å²	54.5	49%	0.491	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.3	175.8	-76.9	172.6	96.2	0	0	109	T106 I116 D117 Y118 I148	T106-Q108 PolarHBondContact O-N 3.09Å; Q108-I116 HydrophobicContact CB-CG2 4.27Å; Q108-I116 HydrophobicContact CG-CG2 4.48Å; Q108-D117 VanDerWaalsContact CA-O 3.31Å; Q108-D117 WeakPolarHBondContact CA-O 3.39Å; Q108-Y118 HydrophobicContact CG-CD1 4.01Å; Q108-Y118 HydrophobicContact CG-CE1 4.15Å; Q108-I148 HydrophobicContact CG-CG2 4.29Å
109	T	97.9	Very high	97	Very high	64 Å²	64	49.1 Å²	49.1	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.6	177.6	-54.9	0	0	0	0	108.7	L111 I116 D117 Q122	T109-L111 HydrophobicContact CG2-CD2 4.15Å; T109-I116 CarbonylContact O-C 3.54Å; T109-I116 VanDerWaalsContact O-CA 3.27Å; T109-I116 WeakPolarHBondContact O-CA 3.02Å; T109-I116 WeakPolarHBondContact O-CG2 3.4Å; T109-D117 PolarHBondContact N-O 3.45Å; T109-D117 PolarHBondContact O-N 3.2Å; T109-Q122 VanDerWaalsContact CB-OE1 3.32Å; T109-Q122 PolarHBondContact OG1-OE1 3.32Å
110	V	97.1	Very high	97	Very high	105 Å²	105	44.6 Å²	44.6	64%	0.636	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.3	174.6	-173.7	0	0	0	0	108.2	I116	V110-I116 HydrophobicContact CG1-CG1 4.46Å; V110-I116 HydrophobicContact CG2-CD1 4.34Å; V110-I116 HydrophobicContact CG2-CG1 4.18Å
111	L	95.6	Very high	97	Very high	67 Å²	67	42.7 Å²	42.7	35%	0.351	25%	0.251	S	S	.	.			trans	-98.4	163.7	178.1	-56.3	-172.1	0	0	0	111.6	T109 D113 G114 S115 N124	T109-L111 HydrophobicContact CG2-CD2 4.15Å; L111-D113 PolarHBondContact O-N 3.05Å; L111-D113 VanDerWaalsContact O-N 3.16Å; L111-G114 PolarHBondContact O-N 2.86Å; L111-S115 PolarHBondContact N-O 3.17Å; L111-N124 WeakPolarHBondContact CD1-ND2 3.16Å
112	D	95.4	Very high	97	Very high	183 Å²	183	42.3 Å²	42.3	98%	0.979	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.1	-176.6	-63.9	-27.3	0	0	0	113.8	G114	D112-G114 VanDerWaalsContact C-N 3.26Å; D112-G114 PolarHBondContact O-N 2.83Å
113	D	91.8	Very high	97	Very high	102 Å²	102	40.7 Å²	40.7	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.2	175.5	75.7	-21.4	0	0	0	113.6	L111 S115	L111-D113 PolarHBondContact O-N 3.05Å; L111-D113 VanDerWaalsContact O-N 3.16Å; D113-S115 VanDerWaalsContact C-N 3.26Å; D113-S115 PolarHBondContact O-N 2.96Å; D113-S115 WeakPolarHBondContact OD1-CB 3.42Å; D113-S115 PolarHBondContact OD1-N 2.64Å; D113-S115 PolarHBondContact OD1-OG 2.91Å; D113-S115 PolarHBondContact OD2-OG 3.4Å
114	G	92.1	Very high	97	Very high	41 Å²	41	40.8 Å²	40.8	42%	0.423	23%	0.232	S	C	.	.	S	Bend	trans	76.3	7.8	-176.2	0	0	0	0	0	114.6	L111 D112	L111-G114 PolarHBondContact O-N 2.86Å; D112-G114 VanDerWaalsContact C-N 3.26Å; D112-G114 PolarHBondContact O-N 2.83Å
115	S	94.6	Very high	96.9	Very high	7 Å²	7	39 Å²	39	5%	0.049	22%	0.222	C	C	.	.			trans	-73.3	163.8	162.5	74.9	0	0	0	0	110.5	L111 D113 N124	L111-S115 PolarHBondContact N-O 3.17Å; D113-S115 VanDerWaalsContact C-N 3.26Å; D113-S115 PolarHBondContact O-N 2.96Å; D113-S115 WeakPolarHBondContact OD1-CB 3.42Å; D113-S115 PolarHBondContact OD1-N 2.64Å; D113-S115 PolarHBondContact OD1-OG 2.91Å; D113-S115 PolarHBondContact OD2-OG 3.4Å; S115-N124 WeakPolarHBondContact CB-OD1 3.32Å; S115-N124 PolarHBondContact OG-ND2 2.87Å; S115-N124 PolarHBondContact OG-OD1 2.99Å
116	I	97.1	Very high	96.8	Very high	29 Å²	29	45.4 Å²	45.4	15%	0.149	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.3	-179.6	-57.2	177.5	0	0	0	108.2	Q108 T109 V110 Y118 N124 S125	Q108-I116 HydrophobicContact CB-CG2 4.27Å; Q108-I116 HydrophobicContact CG-CG2 4.48Å; T109-I116 CarbonylContact O-C 3.54Å; T109-I116 VanDerWaalsContact O-CA 3.27Å; T109-I116 WeakPolarHBondContact O-CA 3.02Å; T109-I116 WeakPolarHBondContact O-CG2 3.4Å; V110-I116 HydrophobicContact CG1-CG1 4.46Å; V110-I116 HydrophobicContact CG2-CD1 4.34Å; V110-I116 HydrophobicContact CG2-CG1 4.18Å; I116-Y118 HydrophobicContact CB-CD2 4.36Å; I116-Y118 HydrophobicContact CB-CE2 3.53Å; I116-Y118 HydrophobicContact CG2-CD2 4.15Å; I116-Y118 HydrophobicContact CG2-CE1 4.14Å; I116-Y118 HydrophobicContact CG2-CE2 3.58Å; I116-Y118 WeakPolarHBondContact O-CD2 3.49Å; I116-Y118 VanDerWaalsContact O-CE2 3.25Å; I116-Y118 WeakPolarHBondContact O-CE2 3.34Å; I116-N124 WeakPolarHBondContact O-CA 3.03Å; I116-S125 PolarHBondContact N-OG 3.33Å; I116-S125 VanDerWaalsContact N-OG 3.15Å; I116-S125 PolarHBondContact O-N 3.04Å; I116-S125 PolarHBondContact O-OG 3.37Å
117	D	98.3	Very high	96.7	Very high	23 Å²	23	45 Å²	45	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.3	171.6	-68.3	-31.5	0	0	0	110.5	Q108 T109 Q122 N124	Q108-D117 VanDerWaalsContact CA-O 3.31Å; Q108-D117 WeakPolarHBondContact CA-O 3.39Å; T109-D117 PolarHBondContact N-O 3.45Å; T109-D117 PolarHBondContact O-N 3.2Å; D117-Q122 HydrophobicContact CB-CB 3.84Å; D117-Q122 HydrophobicContact CB-CG 4.39Å; D117-N124 VanDerWaalsContact OD1-CA 3.31Å; D117-N124 WeakPolarHBondContact OD1-CA 3.35Å; D117-N124 WeakPolarHBondContact OD1-CB 3.29Å; D117-N124 VanDerWaalsContact OD1-CG 3.32Å; D117-N124 PolarHBondContact OD1-ND2 2.81Å
118	Y	98.4	Very high	96.7	Very high	17 Å²	17	45.1 Å²	45.1	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.1	-171.3	-71.5	-91.4	0	0	0	113.8	Q108 I116 Q122 I123 R131 C144 I148	Q108-Y118 HydrophobicContact CG-CD1 4.01Å; Q108-Y118 HydrophobicContact CG-CE1 4.15Å; I116-Y118 HydrophobicContact CB-CD2 4.36Å; I116-Y118 HydrophobicContact CB-CE2 3.53Å; I116-Y118 HydrophobicContact CG2-CD2 4.15Å; I116-Y118 HydrophobicContact CG2-CE1 4.14Å; I116-Y118 HydrophobicContact CG2-CE2 3.58Å; I116-Y118 WeakPolarHBondContact O-CD2 3.49Å; I116-Y118 VanDerWaalsContact O-CE2 3.25Å; I116-Y118 WeakPolarHBondContact O-CE2 3.34Å; Y118-Q122 WeakPolarHBondContact O-CA 3.47Å; Y118-Q122 PolarHBondContact O-N 3.04Å; Y118-I123 PolarHBondContact N-O 3.26Å; Y118-I123 PolarHBondContact O-N 3.05Å; Y118-R131 HydrophobicContact CE2-CG 4.39Å; Y118-R131 WeakPolarHBondContact OH-CD 3.22Å; Y118-C144 HydrophobicContact CD1-CB 3.9Å; Y118-C144 HydrophobicContact CD2-CB 3.75Å; Y118-C144 HydrophobicContact CE1-CB 3.85Å; Y118-C144 HydrophobicContact CE2-CB 3.68Å; Y118-C144 HydrophobicContact CG-CB 3.86Å; Y118-I148 HydrophobicContact CD1-CG2 3.88Å
119	G	98.3	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	68.3	-159.5	162.4	0	0	0	0	0	115.5	T105 A107 F121 Q122	T105-G119 WeakPolarHBondContact O-CA 3.31Å; A107-G119 WeakPolarHBondContact O-CA 3.34Å; A107-G119 PolarHBondContact O-N 3.44Å; G119-F121 PolarHBondContact O-N 3.4Å; G119-Q122 PolarHBondContact O-N 3.18Å; G119-Q122 PolarHBondContact O-NE2 3.18Å
120	I	98.6	Very high	96.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.3	-22.9	-167.6	-163.5	164.2	0	0	0	114.3	Y68 L73 A97 S101 L152 A155	Y68-I120 HydrophobicContact CD2-CD1 4.46Å; L73-I120 HydrophobicContact CD1-CD1 3.59Å; L73-I120 HydrophobicContact CD2-CD1 3.96Å; L73-I120 HydrophobicContact CG-CD1 4.46Å; A97-I120 HydrophobicContact CB-CG1 4.18Å; S101-I120 WeakPolarHBondContact CB-O 3.45Å; S101-I120 VanDerWaalsContact OG-CA 3.32Å; S101-I120 WeakPolarHBondContact OG-CA 3.24Å; S101-I120 PolarHBondContact OG-O 3.38Å; I120-L152 HydrophobicContact CB-CD2 4.47Å; I120-L152 HydrophobicContact CD1-CD1 4.02Å; I120-L152 HydrophobicContact CD1-CD2 4.38Å; I120-L152 HydrophobicContact CG2-CD2 3.89Å; I120-A155 HydrophobicContact CG2-CB 4.45Å
121	F	98.7	Very high	96.2	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-112.6	10.4	-179.9	-57.3	-50.3	0	0	0	113.6	F77 M96 A97 G119 I123 A155 I156 A159 W172	F77-F121 HydrophobicContact CE1-CE1 4.05Å; F77-F121 AromaticContact CE1-CZ 3.55Å; F77-F121 HydrophobicContact CE1-CZ 3.55Å; F77-F121 HydrophobicContact CE2-CE1 4.02Å; F77-F121 HydrophobicContact CE2-CZ 4.3Å; F77-F121 AromaticContact CZ-CE1 3.37Å; F77-F121 HydrophobicContact CZ-CE1 3.37Å; F77-F121 AromaticContact CZ-CZ 3.4Å; F77-F121 HydrophobicContact CZ-CZ 3.4Å; M96-F121 HydrophobicContact CE-CB 4.5Å; M96-F121 HydrophobicContact CE-CD1 3.47Å; M96-F121 VanDerWaalsContact CE-CD1 3.47Å; M96-F121 HydrophobicContact CE-CE1 3.88Å; M96-F121 HydrophobicContact CE-CG 4.2Å; M96-F121 HydrophobicContact SD-CB 4.35Å; M96-F121 HydrophobicContact SD-CD1 3.63Å; M96-F121 HydrophobicContact SD-CE1 4.4Å; M96-F121 HydrophobicContact SD-CG 4.41Å; A97-F121 HydrophobicContact CB-CD1 4.21Å; A97-F121 HydrophobicContact CB-CE1 4.08Å; G119-F121 PolarHBondContact O-N 3.4Å; F121-I123 HydrophobicContact CB-CD1 4.01Å; F121-I123 HydrophobicContact CB-CG1 3.93Å; F121-I123 HydrophobicContact CD2-CD1 4.3Å; F121-I123 PolarHBondContact O-N 2.78Å; F121-A155 HydrophobicContact CD2-CB 3.86Å; F121-A155 WeakPolarHBondContact CD2-O 3.44Å; F121-A155 HydrophobicContact CE2-CB 4.03Å; F121-I156 HydrophobicContact CE2-CB 4.48Å; F121-I156 HydrophobicContact CE2-CG1 3.79Å; F121-I156 HydrophobicContact CZ-CG1 3.99Å; F121-A159 HydrophobicContact CD2-CB 3.7Å; F121-A159 HydrophobicContact CE2-CB 3.96Å; F121-A159 HydrophobicContact CG-CB 4.17Å; F121-W172 PolarHBondContact O-NE1 3.03Å
122	Q	98.7	Very high	95.4	Very high	8 Å²	8	41 Å²	41	4%	0.037	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	57.2	179.9	-68.4	-60.4	-90.6	0	0	113.2	E100 A107 T109 D117 Y118 G119 Y171	E100-Q122 HydrophobicContact CB-CB 4.11Å; E100-Q122 HydrophobicContact CB-CG 3.85Å; E100-Q122 WeakPolarHBondContact O-CG 3.22Å; A107-Q122 PolarHBondContact O-NE2 3.31Å; T109-Q122 VanDerWaalsContact CB-OE1 3.32Å; T109-Q122 PolarHBondContact OG1-OE1 3.32Å; D117-Q122 HydrophobicContact CB-CB 3.84Å; D117-Q122 HydrophobicContact CB-CG 4.39Å; Y118-Q122 WeakPolarHBondContact O-CA 3.47Å; Y118-Q122 PolarHBondContact O-N 3.04Å; G119-Q122 PolarHBondContact O-N 3.18Å; G119-Q122 PolarHBondContact O-NE2 3.18Å; Q122-Y171 PolarHBondContact O-OH 3.43Å
123	I	98.6	Very high	94.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.8	-175.8	-67.7	168	0	0	0	109.8	Y118 F121 W128 L147 C158 I162	Y118-I123 PolarHBondContact N-O 3.26Å; Y118-I123 PolarHBondContact O-N 3.05Å; F121-I123 HydrophobicContact CB-CD1 4.01Å; F121-I123 HydrophobicContact CB-CG1 3.93Å; F121-I123 HydrophobicContact CD2-CD1 4.3Å; F121-I123 PolarHBondContact O-N 2.78Å; I123-W128 HydrophobicContact CG2-CB 3.44Å; I123-W128 VanDerWaalsContact CG2-CB 3.44Å; I123-W128 HydrophobicContact CG2-CG 4.1Å; I123-L147 HydrophobicContact CB-CD1 3.9Å; I123-L147 HydrophobicContact CD1-CD1 4.29Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; I123-L147 HydrophobicContact CG2-CD1 3.65Å; I123-C158 HydrophobicContact CD1-CB 4.01Å; I123-I162 HydrophobicContact CD1-CD1 4.44Å; I123-I162 HydrophobicContact CG1-CD1 3.97Å; I123-I162 HydrophobicContact CG2-CD1 4.24Å
124	N	97.8	Very high	93.2	Very high	16 Å²	16	41.7 Å²	41.7	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.8	-169.1	-167.4	-85.1	0	0	0	114.8	L111 S115 I116 D117 F126 W128 Y171	L111-N124 WeakPolarHBondContact CD1-ND2 3.16Å; S115-N124 WeakPolarHBondContact CB-OD1 3.32Å; S115-N124 PolarHBondContact OG-ND2 2.87Å; S115-N124 PolarHBondContact OG-OD1 2.99Å; I116-N124 WeakPolarHBondContact O-CA 3.03Å; D117-N124 VanDerWaalsContact OD1-CA 3.31Å; D117-N124 WeakPolarHBondContact OD1-CA 3.35Å; D117-N124 WeakPolarHBondContact OD1-CB 3.29Å; D117-N124 VanDerWaalsContact OD1-CG 3.32Å; D117-N124 PolarHBondContact OD1-ND2 2.81Å; N124-F126 VanDerWaalsContact C-N 3.33Å; N124-F126 PolarHBondContact O-N 3.02Å; N124-F126 WeakPolarHBondContact OD1-CA 3.46Å; N124-F126 WeakPolarHBondContact OD1-CB 3.42Å; N124-F126 PolarHBondContact OD1-N 2.85Å; N124-W128 PolarHBondContact O-N 3.34Å; N124-Y171 WeakPolarHBondContact CB-OH 3.38Å; N124-Y171 PolarHBondContact N-OH 3.15Å
125	S	96.6	Very high	92.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8	178.6	62.5	0	0	0	0	116.7	I116 A127	I116-S125 PolarHBondContact N-OG 3.33Å; I116-S125 VanDerWaalsContact N-OG 3.15Å; I116-S125 PolarHBondContact O-N 3.04Å; I116-S125 PolarHBondContact O-OG 3.37Å; S125-A127 VanDerWaalsContact C-N 3.32Å
126	F	94.9	Very high	91.5	Very high	135 Å²	135	50.4 Å²	50.4	59%	0.592	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.5	174.8	-179.7	-96.1	0	0	0	112.1	N124 N137	N124-F126 VanDerWaalsContact C-N 3.33Å; N124-F126 PolarHBondContact O-N 3.02Å; N124-F126 WeakPolarHBondContact OD1-CA 3.46Å; N124-F126 WeakPolarHBondContact OD1-CB 3.42Å; N124-F126 PolarHBondContact OD1-N 2.85Å; F126-N137 WeakPolarHBondContact O-CB 3.26Å; F126-N137 PolarHBondContact O-ND2 3.41Å
127	A	95.3	Very high	91	Very high	22 Å²	22	53.1 Å²	53.1	18%	0.182	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-45.3	-173.7	0	0	0	0	0	113.6	S125 N137 N138 H139	S125-A127 VanDerWaalsContact C-N 3.32Å; A127-N137 CarbonylContact O-C 3.39Å; A127-N138 PolarHBondContact O-N 3.37Å; A127-H139 PolarHBondContact O-CD2 2.68Å; A127-H139 VanDerWaalsContact O-CD2 3.27Å; A127-H139 PolarHBondContact O-N 3.44Å
128	W	97.9	Very high	90.9	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.068	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-36.5	-156.7	-61.5	111.8	0	0	0	114.6	I123 N124 N138 H139 C140 I162 E165 T166 Y171	I123-W128 HydrophobicContact CG2-CB 3.44Å; I123-W128 VanDerWaalsContact CG2-CB 3.44Å; I123-W128 HydrophobicContact CG2-CG 4.1Å; N124-W128 PolarHBondContact O-N 3.34Å; W128-N138 PolarHBondContact O-OD1 3.03Å; W128-H139 HydrophobicContact CD2-CB 4.42Å; W128-H139 HydrophobicContact CE3-CB 3.46Å; W128-H139 VanDerWaalsContact CE3-CB 3.46Å; W128-H139 HydrophobicContact CZ3-CB 3.66Å; W128-H139 PolarHBondContact O-N 3.42Å; W128-C140 VanDerWaalsContact O-CB 3.27Å; W128-C140 WeakPolarHBondContact O-CB 3.26Å; W128-C140 PolarHBondContact O-N 3.35Å; W128-I162 HydrophobicContact CD2-CD1 3.91Å; W128-I162 HydrophobicContact CD2-CG1 3.55Å; W128-I162 HydrophobicContact CE3-CD1 4.37Å; W128-I162 HydrophobicContact CE3-CG1 3.6Å; W128-I162 HydrophobicContact CG-CD1 3.99Å; W128-I162 HydrophobicContact CG-CG1 4.18Å; W128-I162 HydrophobicContact CH2-CB 4.33Å; W128-I162 HydrophobicContact CH2-CG1 3.92Å; W128-I162 HydrophobicContact CH2-CG2 4.49Å; W128-I162 HydrophobicContact CZ2-CB 4.34Å; W128-I162 HydrophobicContact CZ2-CG1 3.83Å; W128-I162 HydrophobicContact CZ2-CG2 4.13Å; W128-I162 HydrophobicContact CZ3-CG1 3.79Å; W128-E165 HydrophobicContact CH2-CB 4.14Å; W128-T166 HydrophobicContact CH2-CG2 4.34Å; W128-T166 HydrophobicContact CZ2-CG2 4.06Å; W128-Y171 AromaticContact CD1-CE2 3.91Å; W128-Y171 AromaticContact CD1-CZ 3.77Å; W128-Y171 AromaticContact NE1-CD2 3.85Å; W128-Y171 AromaticContact NE1-CE2 3.22Å; W128-Y171 AromaticContact NE1-CZ 3.5Å
129	C	97.3	Very high	90.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156	-176.6	70.5	0	0	0	0	112.3	N138 V142 C144 L147	C129-N138 WeakPolarHBondContact CA-OD1 3.29Å; C129-V142 HydrophobicContact CB-CG1 3.77Å; C129-C144 HydrophobicContact CB-CB 3.98Å; C129-C144 WeakPolarHBondContact CB-SG 3.29Å; C129-C144 PolarHBondContact O-SG 3.47Å; C129-C144 VanDerWaalsContact O-SG 3.37Å; C129-C144 VanDerWaalsContact SG-CA 3.52Å; C129-C144 WeakPolarHBondContact SG-CB 3.49Å; C129-C144 CovalentContact SG-SG 2.04Å; C129-C144 PolarHBondContact SG-SG 2.95Å; C129-L147 HydrophobicContact CB-CD1 3.65Å
130	R	94.6	Very high	90.8	Very high	85 Å²	85	56.8 Å²	56.8	32%	0.321	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.1	177.1	-177	173.5	-63.9	137.6	3	111.6	E136 N138 V142 A143 C144	R130-E136 HydrophobicContact CG-CB 4.3Å; R130-E136 PolarHBondContact NH2-O 3.38Å; R130-N138 HydrophobicContact CB-CB 4.14Å; R130-N138 WeakPolarHBondContact CB-ND2 3.31Å; R130-V142 PolarHBondContact N-O 3.44Å; R130-A143 CarbonylContact O-C 3.57Å; R130-A143 WeakPolarHBondContact O-CA 3.3Å; R130-C144 PolarHBondContact O-N 3.33Å
131	R	89.5	Confident	90.6	Very high	107 Å²	107	64.4 Å²	64.4	40%	0.404	32%	0.315	S	S	.	.	S	Bend	trans	-90.2	-32.1	173.9	-60.5	177.5	-60.1	-175	-8.8	112.3	Y118 E136 C144	Y118-R131 HydrophobicContact CE2-CG 4.39Å; Y118-R131 WeakPolarHBondContact OH-CD 3.22Å; R131-E136 IonicContact CZ-OE1 2.93Å; R131-E136 PolarHBondContact N-OE2 2.75Å; R131-E136 IonicContact NE-OE1 3.65Å; R131-E136 PolarHBondContact NE-OE1 3.03Å; R131-E136 IonicContact NH2-OE1 3.33Å; R131-E136 PolarHBondContact NH2-OE1 2.98Å; R131-C144 HydrophobicContact CG-CB 4.14Å
132	G	78.3	Confident	90.5	Very high	62 Å²	62	65.2 Å²	65.2	64%	0.639	32%	0.32	S	S	*	.	S	Bend	trans	161.8	-6.7	177.2	0	0	0	0	0	115.1	E136	G132-E136 PolarHBondContact N-OE2 3.43Å
133	K	75.1	Confident	90.4	Very high	138 Å²	138	67 Å²	67	60%	0.6	34%	0.336	S	S	*	.			trans	-88.6	128.6	178	-61.3	175.3	-178.9	176.5	0	109.5	K135 E136	K133-K135 PolarHBondContact O-N 2.95Å; K133-K135 VanDerWaalsContact O-N 3.13Å; K133-E136 HydrophobicContact CB-CG 3.93Å; K133-E136 PolarHBondContact N-OE2 2.78Å; K133-E136 WeakPolarHBondContact O-CB 3.16Å; K133-E136 PolarHBondContact O-N 2.9Å; K133-E136 VanDerWaalsContact O-N 3.09Å
134	L	66.1	Low	90.4	Very high	161 Å²	161	67 Å²	67	84%	0.843	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.5	-178.5	-68.5	174.6	0	0	0	114.1
135	K	74.3	Confident	90.3	Very high	208 Å²	208	70.1 Å²	70.1	90%	0.904	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.1	178.4	-61.3	-172.4	178.5	-175.2	0	114.4	K133	K133-K135 PolarHBondContact O-N 2.95Å; K133-K135 VanDerWaalsContact O-N 3.13Å
136	E	77.9	Confident	90.3	Very high	24 Å²	24	71 Å²	71	11%	0.112	37%	0.367	C	S	.	.	S	Bend	trans	-72.6	130.5	172.2	-75.3	166	161.1	0	0	109.7	R130 R131 G132 K133	R130-E136 HydrophobicContact CG-CB 4.3Å; R130-E136 PolarHBondContact NH2-O 3.38Å; R131-E136 IonicContact CZ-OE1 2.93Å; R131-E136 PolarHBondContact N-OE2 2.75Å; R131-E136 IonicContact NE-OE1 3.65Å; R131-E136 PolarHBondContact NE-OE1 3.03Å; R131-E136 IonicContact NH2-OE1 3.33Å; R131-E136 PolarHBondContact NH2-OE1 2.98Å; G132-E136 PolarHBondContact N-OE2 3.43Å; K133-E136 HydrophobicContact CB-CG 3.93Å; K133-E136 PolarHBondContact N-OE2 2.78Å; K133-E136 WeakPolarHBondContact O-CB 3.16Å; K133-E136 PolarHBondContact O-N 2.9Å; K133-E136 VanDerWaalsContact O-N 3.09Å
137	N	87.2	Confident	90.4	Very high	86 Å²	86	64.8 Å²	64.8	46%	0.46	34%	0.34	S	S	.	.			trans	-56.5	143	166.4	-59.9	-47.6	0	0	0	108.4	F126 A127	F126-N137 WeakPolarHBondContact O-CB 3.26Å; F126-N137 PolarHBondContact O-ND2 3.41Å; A127-N137 CarbonylContact O-C 3.39Å
138	N	94.6	Very high	90.5	Very high	15 Å²	15	65 Å²	65	8%	0.08	34%	0.338	C	S	.	.			trans	-149.5	68.2	-177.5	-171.6	0.1	0	0	0	109.2	A127 W128 C129 R130 C140 H141 V142	A127-N138 PolarHBondContact O-N 3.37Å; W128-N138 PolarHBondContact O-OD1 3.03Å; C129-N138 WeakPolarHBondContact CA-OD1 3.29Å; R130-N138 HydrophobicContact CB-CB 4.14Å; R130-N138 WeakPolarHBondContact CB-ND2 3.31Å; N138-C140 PolarHBondContact O-N 3.35Å; N138-H141 PolarHBondContact O-N 3.28Å; N138-H141 WeakPolarHBondContact OD1-CA 3.16Å; N138-H141 PolarHBondContact OD1-N 2.94Å; N138-V142 PolarHBondContact ND2-N 3.18Å; N138-V142 PolarHBondContact ND2-O 2.95Å; N138-V142 PolarHBondContact OD1-N 2.95Å; N138-V142 PolarHBondContact OD1-O 3.49Å
139	H	97	Very high	90.4	Very high	80 Å²	80	66.3 Å²	66.3	37%	0.37	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.3	-178.4	-83.8	-120.6	0	0	0	111.3	A127 W128 H141 K161 E165	A127-H139 PolarHBondContact O-CD2 2.68Å; A127-H139 VanDerWaalsContact O-CD2 3.27Å; A127-H139 PolarHBondContact O-N 3.44Å; W128-H139 HydrophobicContact CD2-CB 4.42Å; W128-H139 HydrophobicContact CE3-CB 3.46Å; W128-H139 VanDerWaalsContact CE3-CB 3.46Å; W128-H139 HydrophobicContact CZ3-CB 3.66Å; W128-H139 PolarHBondContact O-N 3.42Å; H139-H141 VanDerWaalsContact C-N 3.26Å; H139-H141 PolarHBondContact O-CD2 3.12Å; H139-H141 PolarHBondContact O-N 3.36Å; H139-K161 WeakPolarHBondContact O-CD 3.26Å; H139-K161 WeakPolarHBondContact O-CE 3.46Å; H139-K161 PolarHBondContact O-NZ 2.88Å; H139-E165 IonicContact CE1-OE2 2.62Å; H139-E165 IonicContact CG-OE2 3.93Å; H139-E165 IonicContact ND1-OE2 3.92Å; H139-E165 PolarHBondContact ND1-OE2 2.98Å
140	C	97.7	Very high	90.1	Very high	21 Å²	21	69.5 Å²	69.5	14%	0.142	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.1	179.3	-62.6	0	0	0	0	114.1	W128 N138 V142 C158	W128-C140 VanDerWaalsContact O-CB 3.27Å; W128-C140 WeakPolarHBondContact O-CB 3.26Å; W128-C140 PolarHBondContact O-N 3.35Å; N138-C140 PolarHBondContact O-N 3.35Å; C140-V142 HydrophobicContact CB-CB 4.36Å; C140-V142 HydrophobicContact CB-CG1 3.69Å; C140-V142 PolarHBondContact O-N 3.46Å; C140-C158 HydrophobicContact CB-CB 3.64Å; C140-C158 WeakPolarHBondContact CB-SG 3.33Å; C140-C158 WeakPolarHBondContact SG-CA 3.27Å; C140-C158 WeakPolarHBondContact SG-CB 3.5Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 2.87Å
141	H	95.8	Very high	90.1	Very high	162 Å²	162	70.3 Å²	70.3	75%	0.75	38%	0.376	S	S	*	.			trans	53	31.2	-177.2	-57.8	-72.5	0	0	0	114.4	N138 H139	N138-H141 PolarHBondContact O-N 3.28Å; N138-H141 WeakPolarHBondContact OD1-CA 3.16Å; N138-H141 PolarHBondContact OD1-N 2.94Å; H139-H141 VanDerWaalsContact C-N 3.26Å; H139-H141 PolarHBondContact O-CD2 3.12Å; H139-H141 PolarHBondContact O-N 3.36Å
142	V	96.4	Very high	90.5	Very high	17 Å²	17	65.5 Å²	65.5	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.5	-170.4	73.1	0	0	0	0	111.5	C129 R130 N138 C140 A146 L147 D154	C129-V142 HydrophobicContact CB-CG1 3.77Å; R130-V142 PolarHBondContact N-O 3.44Å; N138-V142 PolarHBondContact ND2-N 3.18Å; N138-V142 PolarHBondContact ND2-O 2.95Å; N138-V142 PolarHBondContact OD1-N 2.95Å; N138-V142 PolarHBondContact OD1-O 3.49Å; C140-V142 HydrophobicContact CB-CB 4.36Å; C140-V142 HydrophobicContact CB-CG1 3.69Å; C140-V142 PolarHBondContact O-N 3.46Å; V142-A146 HydrophobicContact CG2-CB 3.97Å; V142-L147 HydrophobicContact CG1-CD1 4.24Å; V142-L147 HydrophobicContact CG1-CD2 4.04Å; V142-L147 HydrophobicContact CG1-CG 4.29Å; V142-L147 HydrophobicContact CG2-CD2 4.2Å; V142-D154 HydrophobicContact CG2-CB 4.07Å
143	A	96.6	Very high	91.4	Very high	46 Å²	46	66.1 Å²	66.1	38%	0.38	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.2	168.3	0	0	0	0	0	109.8	R130 S145 A146	R130-A143 CarbonylContact O-C 3.57Å; R130-A143 WeakPolarHBondContact O-CA 3.3Å; A143-S145 PolarHBondContact O-N 3.4Å; A143-S145 VanDerWaalsContact O-N 3.12Å; A143-A146 WeakPolarHBondContact O-CB 3.4Å; A143-A146 PolarHBondContact O-N 2.89Å
144	C	97.2	Very high	92.5	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.014	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.5	178.8	-58.9	0	0	0	0	112.6	Y118 C129 R130 R131 A146 L147	Y118-C144 HydrophobicContact CD1-CB 3.9Å; Y118-C144 HydrophobicContact CD2-CB 3.75Å; Y118-C144 HydrophobicContact CE1-CB 3.85Å; Y118-C144 HydrophobicContact CE2-CB 3.68Å; Y118-C144 HydrophobicContact CG-CB 3.86Å; C129-C144 HydrophobicContact CB-CB 3.98Å; C129-C144 WeakPolarHBondContact CB-SG 3.29Å; C129-C144 PolarHBondContact O-SG 3.47Å; C129-C144 VanDerWaalsContact O-SG 3.37Å; C129-C144 VanDerWaalsContact SG-CA 3.52Å; C129-C144 WeakPolarHBondContact SG-CB 3.49Å; C129-C144 CovalentContact SG-SG 2.04Å; C129-C144 PolarHBondContact SG-SG 2.95Å; R130-C144 PolarHBondContact O-N 3.33Å; R131-C144 HydrophobicContact CG-CB 4.14Å; C144-A146 VanDerWaalsContact C-N 3.27Å; C144-A146 PolarHBondContact O-N 3.35Å; C144-L147 WeakPolarHBondContact O-CB 3.23Å; C144-L147 PolarHBondContact O-N 3.06Å
145	S	96	Very high	94.1	Very high	81 Å²	81	55.3 Å²	55.3	57%	0.566	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.7	-26.3	173.6	55.1	0	0	0	0	114.1	A143 L147 I148 T149	A143-S145 PolarHBondContact O-N 3.4Å; A143-S145 VanDerWaalsContact O-N 3.12Å; S145-L147 VanDerWaalsContact C-N 3.31Å; S145-I148 VanDerWaalsContact O-CG1 3.29Å; S145-I148 WeakPolarHBondContact O-CG1 3.47Å; S145-T149 WeakPolarHBondContact O-CG2 3.36Å
146	A	96.7	Very high	95.2	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-75.4	-23.4	176.1	0	0	0	0	0	112.3	V142 A143 C144 I148 T149 D154	V142-A146 HydrophobicContact CG2-CB 3.97Å; A143-A146 WeakPolarHBondContact O-CB 3.4Å; A143-A146 PolarHBondContact O-N 2.89Å; C144-A146 VanDerWaalsContact C-N 3.27Å; C144-A146 PolarHBondContact O-N 3.35Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 PolarHBondContact O-N 3.34Å; A146-T149 WeakPolarHBondContact O-CG2 3.26Å; A146-T149 PolarHBondContact O-OG1 3.2Å; A146-D154 HydrophobicContact CB-CB 4.33Å
147	L	97.8	Very high	96.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-77.5	-12.9	178.5	-53.6	-177.5	0	0	0	113.4	I123 C129 V142 C144 S145 D154 A155 C158	I123-L147 HydrophobicContact CB-CD1 3.9Å; I123-L147 HydrophobicContact CD1-CD1 4.29Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; I123-L147 HydrophobicContact CG2-CD1 3.65Å; C129-L147 HydrophobicContact CB-CD1 3.65Å; V142-L147 HydrophobicContact CG1-CD1 4.24Å; V142-L147 HydrophobicContact CG1-CD2 4.04Å; V142-L147 HydrophobicContact CG1-CG 4.29Å; V142-L147 HydrophobicContact CG2-CD2 4.2Å; C144-L147 WeakPolarHBondContact O-CB 3.23Å; C144-L147 PolarHBondContact O-N 3.06Å; S145-L147 VanDerWaalsContact C-N 3.31Å; L147-D154 HydrophobicContact CD2-CB 4.23Å; L147-A155 HydrophobicContact CD2-CB 4.35Å; L147-C158 HydrophobicContact CD2-CB 4.43Å
148	I	96.9	Very high	96.8	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.138	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-108.9	34.9	177.6	56.9	168.5	0	0	0	112.7	T105 Q108 Y118 S145 A146	T105-I148 VanDerWaalsContact O-CA 3.29Å; T105-I148 WeakPolarHBondContact O-CA 3.29Å; Q108-I148 HydrophobicContact CG-CG2 4.29Å; Y118-I148 HydrophobicContact CD1-CG2 3.88Å; S145-I148 VanDerWaalsContact O-CG1 3.29Å; S145-I148 WeakPolarHBondContact O-CG1 3.47Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 PolarHBondContact O-N 3.34Å
149	T	94.8	Very high	97	Very high	46 Å²	46	44.5 Å²	44.5	28%	0.282	25%	0.251	S	S	.	.	S	Bend	trans	-107.3	170	178.4	74.1	0	0	0	0	112.4	T105 S145 A146 D151	T105-T149 WeakPolarHBondContact CB-O 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.36Å; A146-T149 WeakPolarHBondContact O-CG2 3.26Å; A146-T149 PolarHBondContact O-OG1 3.2Å; T149-D151 VanDerWaalsContact C-N 3.26Å; T149-D151 PolarHBondContact O-N 3.09Å; T149-D151 PolarHBondContact OG1-O 2.89Å; T149-D151 VanDerWaalsContact OG1-O 3.04Å
150	D	91.5	Very high	97	Very high	67 Å²	67	44.8 Å²	44.8	36%	0.358	25%	0.249	S	C	.	.	S	Bend	trans	-68.4	-26.5	178.4	-128.1	42.7	0	0	0	113.5	K66 Y68	K66-D150 WeakPolarHBondContact CB-OD1 3.15Å; K66-D150 WeakPolarHBondContact CD-OD1 3.27Å; K66-D150 WeakPolarHBondContact CD-OD2 3.45Å; K66-D150 WeakPolarHBondContact CE-OD2 3.22Å; K66-D150 IonicContact NZ-OD1 2.65Å; K66-D150 IonicContact NZ-OD2 2.83Å; K66-D150 PolarHBondContact NZ-OD2 3.17Å; Y68-D150 PolarHBondContact OH-O 3.06Å
151	D	94.7	Very high	97.1	Very high	102 Å²	102	46.6 Å²	46.6	55%	0.545	25%	0.254	S	S	.	.			trans	-89.5	118.7	174.8	-173.2	-11.5	0	0	0	109.5	T149 T153	T149-D151 VanDerWaalsContact C-N 3.26Å; T149-D151 PolarHBondContact O-N 3.09Å; T149-D151 PolarHBondContact OG1-O 2.89Å; T149-D151 VanDerWaalsContact OG1-O 3.04Å; D151-T153 PolarHBondContact O-N 3.18Å; D151-T153 VanDerWaalsContact OD1-CB 3.24Å; D151-T153 WeakPolarHBondContact OD1-CB 3.44Å; D151-T153 PolarHBondContact OD1-N 2.88Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å
152	L	97.3	Very high	97.2	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	22%	0.218	C	C	.	.			trans	-82.7	1.7	-177.3	-58.2	-174	0	0	0	113.3	Y68 L73 I76 F77 T105 I120 D154 A155 I156	Y68-L152 HydrophobicContact CE2-CD1 4.29Å; Y68-L152 HydrophobicContact CE2-CD2 4.39Å; Y68-L152 HydrophobicContact CE2-CG 4.36Å; L73-L152 HydrophobicContact CD1-CD1 3.46Å; L73-L152 VanDerWaalsContact CD1-CD1 3.46Å; I76-L152 HydrophobicContact CG2-CD1 4.31Å; F77-L152 HydrophobicContact CE1-CD1 4.03Å; T105-L152 HydrophobicContact CG2-CD2 3.65Å; I120-L152 HydrophobicContact CB-CD2 4.47Å; I120-L152 HydrophobicContact CD1-CD1 4.02Å; I120-L152 HydrophobicContact CD1-CD2 4.38Å; I120-L152 HydrophobicContact CG2-CD2 3.89Å; L152-D154 PolarHBondContact O-N 3.37Å; L152-A155 PolarHBondContact O-N 2.93Å; L152-I156 HydrophobicContact CB-CD1 3.71Å; L152-I156 HydrophobicContact CB-CG1 4.12Å; L152-I156 WeakPolarHBondContact O-CB 3.06Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 2.96Å
153	T	98	Very high	97.3	Very high	74 Å²	74	38 Å²	38	45%	0.454	21%	0.214	S	C	.	.	H	α-helix	trans	-54.8	-54.3	-173.2	-63.9	0	0	0	0	112.6	D151 A155 I156 I157	D151-T153 PolarHBondContact O-N 3.18Å; D151-T153 VanDerWaalsContact OD1-CB 3.24Å; D151-T153 WeakPolarHBondContact OD1-CB 3.44Å; D151-T153 PolarHBondContact OD1-N 2.88Å; D151-T153 PolarHBondContact OD1-OG1 3.28Å; T153-A155 PolarHBondContact O-N 3.46Å; T153-I156 PolarHBondContact O-N 2.77Å; T153-I157 HydrophobicContact CG2-CD1 3.81Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.42Å
154	D	98.4	Very high	97.4	Very high	70 Å²	70	41.9 Å²	41.9	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-40.7	179.2	-78.2	-43.9	0	0	0	112.5	V142 A146 L147 L152 I156 I157 C158	V142-D154 HydrophobicContact CG2-CB 4.07Å; A146-D154 HydrophobicContact CB-CB 4.33Å; L147-D154 HydrophobicContact CD2-CB 4.23Å; L152-D154 PolarHBondContact O-N 3.37Å; D154-I156 PolarHBondContact O-N 3.49Å; D154-I157 PolarHBondContact O-N 2.94Å; D154-C158 WeakPolarHBondContact O-CB 3.3Å; D154-C158 PolarHBondContact O-N 3.35Å
155	A	98.5	Very high	97.4	Very high	2 Å²	2	46 Å²	46	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177	0	0	0	0	0	112	I120 F121 L147 L152 T153 A159	I120-A155 HydrophobicContact CG2-CB 4.45Å; F121-A155 HydrophobicContact CD2-CB 3.86Å; F121-A155 WeakPolarHBondContact CD2-O 3.44Å; F121-A155 HydrophobicContact CE2-CB 4.03Å; L147-A155 HydrophobicContact CD2-CB 4.35Å; L152-A155 PolarHBondContact O-N 2.93Å; T153-A155 PolarHBondContact O-N 3.46Å; A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.07Å; A155-A159 PolarHBondContact O-N 3.18Å
156	I	98.8	Very high	97.4	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-69.5	-43	178.3	-70.3	167.2	0	0	0	110.9	I76 F77 A80 L82 F121 L152 T153 D154 C158 A159 R160	I76-I156 HydrophobicContact CG2-CD1 4.1Å; F77-I156 HydrophobicContact CD1-CD1 4.01Å; F77-I156 HydrophobicContact CD1-CG1 4.46Å; F77-I156 HydrophobicContact CE1-CD1 4.16Å; F77-I156 HydrophobicContact CE1-CG1 4.3Å; A80-I156 HydrophobicContact CB-CD1 3.94Å; A80-I156 HydrophobicContact CB-CG2 4.02Å; L82-I156 HydrophobicContact CD1-CG1 4.37Å; L82-I156 HydrophobicContact CD1-CG2 4.08Å; L82-I156 HydrophobicContact CD2-CG2 4.08Å; L82-I156 HydrophobicContact CG-CG2 4.22Å; F121-I156 HydrophobicContact CE2-CB 4.48Å; F121-I156 HydrophobicContact CE2-CG1 3.79Å; F121-I156 HydrophobicContact CZ-CG1 3.99Å; L152-I156 HydrophobicContact CB-CD1 3.71Å; L152-I156 HydrophobicContact CB-CG1 4.12Å; L152-I156 WeakPolarHBondContact O-CB 3.06Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 2.96Å; T153-I156 PolarHBondContact O-N 2.77Å; D154-I156 PolarHBondContact O-N 3.49Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.04Å; I156-A159 PolarHBondContact O-N 2.97Å; I156-R160 HydrophobicContact CG2-CG 4.44Å; I156-R160 WeakPolarHBondContact O-CB 3.25Å; I156-R160 VanDerWaalsContact O-CG 3.26Å; I156-R160 WeakPolarHBondContact O-CG 3.22Å; I156-R160 PolarHBondContact O-N 2.72Å
157	I	98.8	Very high	97.3	Very high	94 Å²	94	51.2 Å²	51.2	48%	0.482	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-46.1	176	-70.9	166.9	0	0	0	110.2	T153 D154 R160 K161	T153-I157 HydrophobicContact CG2-CD1 3.81Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.42Å; D154-I157 PolarHBondContact O-N 2.94Å; I157-R160 PolarHBondContact O-N 3.03Å; I157-K161 PolarHBondContact O-N 3.08Å; I157-K161 VanDerWaalsContact O-N 3.13Å
158	C	98.7	Very high	97.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-46.2	178.1	-172.6	0	0	0	0	112.1	I123 C140 L147 D154 I156 R160 K161 I162	I123-C158 HydrophobicContact CD1-CB 4.01Å; C140-C158 HydrophobicContact CB-CB 3.64Å; C140-C158 WeakPolarHBondContact CB-SG 3.33Å; C140-C158 WeakPolarHBondContact SG-CA 3.27Å; C140-C158 WeakPolarHBondContact SG-CB 3.5Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 2.87Å; L147-C158 HydrophobicContact CD2-CB 4.43Å; D154-C158 WeakPolarHBondContact O-CB 3.3Å; D154-C158 PolarHBondContact O-N 3.35Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.04Å; C158-R160 VanDerWaalsContact C-N 3.33Å; C158-R160 PolarHBondContact O-N 2.92Å; C158-K161 WeakPolarHBondContact O-CA 3.39Å; C158-K161 WeakPolarHBondContact O-CB 3.48Å; C158-K161 PolarHBondContact O-N 3.45Å; C158-I162 WeakPolarHBondContact O-CG1 3.42Å; C158-I162 PolarHBondContact O-N 3.16Å
159	A	98.8	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-36	178.3	0	0	0	0	0	113.2	W93 F121 A155 I156 I162 V163 W172	W93-A159 HydrophobicContact CZ3-CB 3.98Å; F121-A159 HydrophobicContact CD2-CB 3.7Å; F121-A159 HydrophobicContact CE2-CB 3.96Å; F121-A159 HydrophobicContact CG-CB 4.17Å; A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.07Å; A155-A159 PolarHBondContact O-N 3.18Å; I156-A159 PolarHBondContact O-N 2.97Å; A159-I162 PolarHBondContact O-N 2.98Å; A159-V163 PolarHBondContact O-N 3Å; A159-W172 HydrophobicContact CB-CH2 4.08Å; A159-W172 HydrophobicContact CB-CZ2 3.9Å
160	R	98.8	Very high	97.3	Very high	87 Å²	87	51.2 Å²	51.2	33%	0.328	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-41.3	171.4	-73	173.8	76.8	-154.6	8.9	112	L82 Y85 I156 I157 C158 K164	L82-R160 HydrophobicContact CD2-CG 3.48Å; L82-R160 VanDerWaalsContact CD2-CG 3.48Å; Y85-R160 HydrophobicContact CD1-CB 4.5Å; Y85-R160 HydrophobicContact CD1-CG 4.15Å; Y85-R160 HydrophobicContact CE1-CB 3.77Å; Y85-R160 HydrophobicContact CE1-CG 3.9Å; Y85-R160 HydrophobicContact CE2-CG 4.42Å; Y85-R160 VanDerWaalsContact CE2-NE 3.3Å; Y85-R160 VanDerWaalsContact CE2-NH2 3.34Å; Y85-R160 HydrophobicContact CG-CG 4.49Å; Y85-R160 PolarHBondContact OH-O 3.27Å; I156-R160 HydrophobicContact CG2-CG 4.44Å; I156-R160 WeakPolarHBondContact O-CB 3.25Å; I156-R160 VanDerWaalsContact O-CG 3.26Å; I156-R160 WeakPolarHBondContact O-CG 3.22Å; I156-R160 PolarHBondContact O-N 2.72Å; I157-R160 PolarHBondContact O-N 3.03Å; C158-R160 VanDerWaalsContact C-N 3.33Å; C158-R160 PolarHBondContact O-N 2.92Å; R160-K164 PolarHBondContact O-N 3.18Å
161	K	98.6	Very high	97.6	Very high	58 Å²	58	50.8 Å²	50.8	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-42.2	175	-175.1	-170.2	157.1	96.3	0	111.5	H139 I157 C158 K164 E165	H139-K161 WeakPolarHBondContact O-CD 3.26Å; H139-K161 WeakPolarHBondContact O-CE 3.46Å; H139-K161 PolarHBondContact O-NZ 2.88Å; I157-K161 PolarHBondContact O-N 3.08Å; I157-K161 VanDerWaalsContact O-N 3.13Å; C158-K161 WeakPolarHBondContact O-CA 3.39Å; C158-K161 WeakPolarHBondContact O-CB 3.48Å; C158-K161 PolarHBondContact O-N 3.45Å; K161-K164 PolarHBondContact O-N 3.13Å; K161-E165 VanDerWaalsContact CE-CD 3.41Å; K161-E165 WeakPolarHBondContact CE-OE1 3.07Å; K161-E165 WeakPolarHBondContact CE-OE2 3.27Å; K161-E165 HydrophobicContact CG-CG 4.49Å; K161-E165 IonicContact NZ-OE1 3.85Å; K161-E165 PolarHBondContact NZ-OE1 2.04Å; K161-E165 IonicContact NZ-OE2 2.97Å; K161-E165 PolarHBondContact O-N 3.49Å
162	I	98.6	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-57.8	174.5	-66.8	171.9	0	0	0	109.7	I123 W128 C158 A159 K164 E165 T166 Y171 W172	I123-I162 HydrophobicContact CD1-CD1 4.44Å; I123-I162 HydrophobicContact CG1-CD1 3.97Å; I123-I162 HydrophobicContact CG2-CD1 4.24Å; W128-I162 HydrophobicContact CD2-CD1 3.91Å; W128-I162 HydrophobicContact CD2-CG1 3.55Å; W128-I162 HydrophobicContact CE3-CD1 4.37Å; W128-I162 HydrophobicContact CE3-CG1 3.6Å; W128-I162 HydrophobicContact CG-CD1 3.99Å; W128-I162 HydrophobicContact CG-CG1 4.18Å; W128-I162 HydrophobicContact CH2-CB 4.33Å; W128-I162 HydrophobicContact CH2-CG1 3.92Å; W128-I162 HydrophobicContact CH2-CG2 4.49Å; W128-I162 HydrophobicContact CZ2-CB 4.34Å; W128-I162 HydrophobicContact CZ2-CG1 3.83Å; W128-I162 HydrophobicContact CZ2-CG2 4.13Å; W128-I162 HydrophobicContact CZ3-CG1 3.79Å; C158-I162 WeakPolarHBondContact O-CG1 3.42Å; C158-I162 PolarHBondContact O-N 3.16Å; A159-I162 PolarHBondContact O-N 2.98Å; I162-K164 PolarHBondContact O-N 3.5Å; I162-K164 VanDerWaalsContact O-N 3.12Å; I162-E165 PolarHBondContact O-N 3.37Å; I162-T166 HydrophobicContact CG2-CG2 4.23Å; I162-T166 PolarHBondContact O-N 2.89Å; I162-T166 PolarHBondContact O-OG1 2.03Å; I162-Y171 HydrophobicContact CD1-CD1 4.31Å; I162-Y171 HydrophobicContact CD1-CE1 4Å; I162-Y171 HydrophobicContact CG2-CD1 3.64Å; I162-Y171 HydrophobicContact CG2-CD2 4.4Å; I162-Y171 HydrophobicContact CG2-CE1 4.37Å; I162-Y171 HydrophobicContact CG2-CG 3.66Å; I162-W172 HydrophobicContact CB-CH2 3.78Å; I162-W172 HydrophobicContact CB-CZ2 4.27Å; I162-W172 HydrophobicContact CD1-CH2 4.46Å; I162-W172 HydrophobicContact CD1-CZ2 4.07Å; I162-W172 HydrophobicContact CG2-CH2 3.55Å; I162-W172 HydrophobicContact CG2-CZ2 4.04Å; I162-W172 HydrophobicContact CG2-CZ3 3.94Å
163	V	98.4	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-52.3	-40.4	179.1	169.2	0	0	0	0	112.5	Y85 W86 F88 W93 A159 Q167 G168 M169 W172	Y85-V163 HydrophobicContact CD1-CG1 4.49Å; Y85-V163 HydrophobicContact CE1-CB 4.42Å; Y85-V163 HydrophobicContact CE1-CG1 4.38Å; W86-V163 HydrophobicContact CB-CG1 3.56Å; W86-V163 HydrophobicContact CD2-CG1 4.36Å; W86-V163 HydrophobicContact CG-CG1 3.86Å; F88-V163 HydrophobicContact CD2-CG1 4.16Å; F88-V163 HydrophobicContact CE2-CG1 4.1Å; W93-V163 HydrophobicContact CH2-CB 4.36Å; W93-V163 HydrophobicContact CH2-CG2 3.49Å; W93-V163 VanDerWaalsContact CH2-CG2 3.49Å; W93-V163 HydrophobicContact CZ2-CG2 3.98Å; W93-V163 HydrophobicContact CZ3-CG2 4.36Å; A159-V163 PolarHBondContact O-N 3Å; V163-Q167 CarbonylContact O-C 3.57Å; V163-Q167 WeakPolarHBondContact O-CA 3.02Å; V163-Q167 PolarHBondContact O-N 3.05Å; V163-G168 PolarHBondContact O-N 2.94Å; V163-M169 HydrophobicContact CG2-CG 3.86Å; V163-W172 HydrophobicContact CG2-CH2 3.93Å; V163-W172 HydrophobicContact CG2-CZ3 3.54Å
164	K	97.9	Very high	97.8	Very high	127 Å²	127	48.4 Å²	48.4	55%	0.552	23%	0.232	S	C	*	.	H	α-helix	trans	-67.5	-42.4	178.3	-178	178.5	179	-174.8	0	112.9	W86 R160 K161 I162	W86-K164 HydrophobicContact CZ2-CB 4.31Å; W86-K164 HydrophobicContact CZ2-CG 3.82Å; R160-K164 PolarHBondContact O-N 3.18Å; K161-K164 PolarHBondContact O-N 3.13Å; I162-K164 PolarHBondContact O-N 3.5Å; I162-K164 VanDerWaalsContact O-N 3.12Å
165	E	97.5	Very high	97.8	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	22%	0.216	S	C	.	.	H	α-helix	trans	-81.8	-31.6	-177.2	-72.7	-177.1	-171.7	0	0	112.8	W128 H139 K161 I162	W128-E165 HydrophobicContact CH2-CB 4.14Å; H139-E165 IonicContact CE1-OE2 2.62Å; H139-E165 IonicContact CG-OE2 3.93Å; H139-E165 IonicContact ND1-OE2 3.92Å; H139-E165 PolarHBondContact ND1-OE2 2.98Å; K161-E165 VanDerWaalsContact CE-CD 3.41Å; K161-E165 WeakPolarHBondContact CE-OE1 3.07Å; K161-E165 WeakPolarHBondContact CE-OE2 3.27Å; K161-E165 HydrophobicContact CG-CG 4.49Å; K161-E165 IonicContact NZ-OE1 3.85Å; K161-E165 PolarHBondContact NZ-OE1 2.04Å; K161-E165 IonicContact NZ-OE2 2.97Å; K161-E165 PolarHBondContact O-N 3.49Å; I162-E165 PolarHBondContact O-N 3.37Å
166	T	96	Very high	97.8	Very high	51 Å²	51	49.9 Å²	49.9	31%	0.313	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.3	175.1	63.7	0	0	0	0	113.8	W128 I162 G168	W128-T166 HydrophobicContact CH2-CG2 4.34Å; W128-T166 HydrophobicContact CZ2-CG2 4.06Å; I162-T166 HydrophobicContact CG2-CG2 4.23Å; I162-T166 PolarHBondContact O-N 2.89Å; I162-T166 PolarHBondContact O-OG1 2.03Å; T166-G168 PolarHBondContact O-N 3.22Å; T166-G168 PolarHBondContact OG1-O 2.87Å
167	Q	94.7	Very high	97.7	Very high	160 Å²	160	56.5 Å²	56.5	75%	0.748	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.8	178.5	-57.2	-176.8	-4.2	0	0	114.1	V163	V163-Q167 CarbonylContact O-C 3.57Å; V163-Q167 WeakPolarHBondContact O-CA 3.02Å; V163-Q167 PolarHBondContact O-N 3.05Å
168	G	96.1	Very high	97.7	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	142.1	-176.6	-178.5	0	0	0	0	0	113.5	V163 T166 N170	V163-G168 PolarHBondContact O-N 2.94Å; T166-G168 PolarHBondContact O-N 3.22Å; T166-G168 PolarHBondContact OG1-O 2.87Å; G168-N170 VanDerWaalsContact C-N 3.27Å; G168-N170 PolarHBondContact O-N 3.4Å
169	M	97.6	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-84.4	8.7	-175.3	-62.3	-171.8	82.5	0	0	114.6	F88 N92 W93 M96 V163 Y171 W172 W175	F88-M169 HydrophobicContact CB-SD 3.99Å; F88-M169 HydrophobicContact CD1-CB 4.47Å; F88-M169 HydrophobicContact CD1-CG 3.74Å; F88-M169 HydrophobicContact CD1-SD 3.54Å; F88-M169 VanDerWaalsContact CD1-SD 3.54Å; F88-M169 HydrophobicContact CD2-CG 4.14Å; F88-M169 HydrophobicContact CD2-SD 4.45Å; F88-M169 HydrophobicContact CE1-CB 4.13Å; F88-M169 HydrophobicContact CE1-CG 3.79Å; F88-M169 HydrophobicContact CE1-SD 4.16Å; F88-M169 HydrophobicContact CE2-CG 4.21Å; F88-M169 HydrophobicContact CG-CG 3.93Å; F88-M169 HydrophobicContact CG-SD 3.71Å; F88-M169 HydrophobicContact CZ-CB 4.43Å; F88-M169 HydrophobicContact CZ-CG 4.04Å; N92-M169 HydrophobicContact CB-SD 3.75Å; W93-M169 HydrophobicContact CD2-CE 4.11Å; W93-M169 HydrophobicContact CE3-CE 3.99Å; W93-M169 HydrophobicContact CZ3-CE 4.23Å; M96-M169 HydrophobicContact CB-CE 3.79Å; M96-M169 HydrophobicContact CE-CE 3.68Å; M96-M169 HydrophobicContact CG-CE 3.97Å; V163-M169 HydrophobicContact CG2-CG 3.86Å; M169-Y171 PolarHBondContact O-N 3.18Å; M169-W172 HydrophobicContact CB-CE3 3.95Å; M169-W172 HydrophobicContact CB-CZ3 4.31Å; M169-W172 HydrophobicContact CE-CE3 4.17Å; M169-W172 HydrophobicContact CE-CZ3 4.34Å; M169-W172 HydrophobicContact CG-CE3 4.27Å; M169-W172 HydrophobicContact CG-CZ3 4.22Å; M169-W172 PolarHBondContact O-N 2.94Å; M169-W175 HydrophobicContact CB-CD2 3.46Å; M169-W175 VanDerWaalsContact CB-CD2 3.46Å; M169-W175 HydrophobicContact CB-CE3 3.55Å; M169-W175 HydrophobicContact CB-CG 4.03Å; M169-W175 HydrophobicContact CB-CH2 4.11Å; M169-W175 HydrophobicContact CB-CZ2 4.01Å; M169-W175 HydrophobicContact CB-CZ3 3.88Å; M169-W175 HydrophobicContact CE-CG 4.46Å
170	N	96	Very high	97.7	Very high	74 Å²	74	58.7 Å²	58.7	40%	0.396	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-60.7	-14.2	-179.2	-86.9	-46.2	0	0	0	115.7	G168 W172 Q173	G168-N170 VanDerWaalsContact C-N 3.27Å; G168-N170 PolarHBondContact O-N 3.4Å; N170-W172 VanDerWaalsContact C-N 3.33Å; N170-Q173 PolarHBondContact O-NE2 2.77Å
171	Y	97.6	Very high	97.6	Very high	59 Å²	59	58.7 Å²	58.7	23%	0.231	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.9	-43.3	169.6	172.1	-102.6	0	0	0	111.6	Q122 N124 W128 I162 M169 Q173	Q122-Y171 PolarHBondContact O-OH 3.43Å; N124-Y171 WeakPolarHBondContact CB-OH 3.38Å; N124-Y171 PolarHBondContact N-OH 3.15Å; W128-Y171 AromaticContact CD1-CE2 3.91Å; W128-Y171 AromaticContact CD1-CZ 3.77Å; W128-Y171 AromaticContact NE1-CD2 3.85Å; W128-Y171 AromaticContact NE1-CE2 3.22Å; W128-Y171 AromaticContact NE1-CZ 3.5Å; I162-Y171 HydrophobicContact CD1-CD1 4.31Å; I162-Y171 HydrophobicContact CD1-CE1 4Å; I162-Y171 HydrophobicContact CG2-CD1 3.64Å; I162-Y171 HydrophobicContact CG2-CD2 4.4Å; I162-Y171 HydrophobicContact CG2-CE1 4.37Å; I162-Y171 HydrophobicContact CG2-CG 3.66Å; M169-Y171 PolarHBondContact O-N 3.18Å; Y171-Q173 PolarHBondContact O-N 2.92Å; Y171-Q173 PolarHBondContact O-NE2 3.36Å; Y171-Q173 VanDerWaalsContact O-NE2 3.08Å
172	W	98.4	Very high	97.5	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.008	31%	0.314	C	S	.	.			trans	-83	108	-176.7	-69.7	-70.3	0	0	0	111.8	M96 E100 F121 A159 I162 V163 M169 N170 G174 W175 K176	M96-W172 HydrophobicContact CE-CD2 3.86Å; M96-W172 HydrophobicContact CE-CE3 4.22Å; M96-W172 HydrophobicContact CE-CG 4.41Å; M96-W172 HydrophobicContact CE-CH2 4.23Å; M96-W172 HydrophobicContact CE-CZ2 3.85Å; M96-W172 HydrophobicContact CE-CZ3 4.42Å; M96-W172 HydrophobicContact CG-CB 3.83Å; M96-W172 HydrophobicContact CG-CD2 3.93Å; M96-W172 HydrophobicContact CG-CE3 4.49Å; M96-W172 HydrophobicContact CG-CG 3.61Å; M96-W172 HydrophobicContact SD-CD2 3.96Å; M96-W172 HydrophobicContact SD-CG 3.88Å; E100-W172 HydrophobicContact CG-CB 4.36Å; E100-W172 HydrophobicContact CG-CG 4.27Å; E100-W172 WeakPolarHBondContact OE1-CA 3.36Å; E100-W172 VanDerWaalsContact OE1-CB 3.26Å; E100-W172 WeakPolarHBondContact OE1-CB 3.06Å; F121-W172 PolarHBondContact O-NE1 3.03Å; A159-W172 HydrophobicContact CB-CH2 4.08Å; A159-W172 HydrophobicContact CB-CZ2 3.9Å; I162-W172 HydrophobicContact CB-CH2 3.78Å; I162-W172 HydrophobicContact CB-CZ2 4.27Å; I162-W172 HydrophobicContact CD1-CH2 4.46Å; I162-W172 HydrophobicContact CD1-CZ2 4.07Å; I162-W172 HydrophobicContact CG2-CH2 3.55Å; I162-W172 HydrophobicContact CG2-CZ2 4.04Å; I162-W172 HydrophobicContact CG2-CZ3 3.94Å; V163-W172 HydrophobicContact CG2-CH2 3.93Å; V163-W172 HydrophobicContact CG2-CZ3 3.54Å; M169-W172 HydrophobicContact CB-CE3 3.95Å; M169-W172 HydrophobicContact CB-CZ3 4.31Å; M169-W172 HydrophobicContact CE-CE3 4.17Å; M169-W172 HydrophobicContact CE-CZ3 4.34Å; M169-W172 HydrophobicContact CG-CE3 4.27Å; M169-W172 HydrophobicContact CG-CZ3 4.22Å; M169-W172 PolarHBondContact O-N 2.94Å; N170-W172 VanDerWaalsContact C-N 3.33Å; W172-G174 VanDerWaalsContact C-N 3.35Å; W172-W175 HydrophobicContact CB-CB 3.76Å; W172-W175 PolarHBondContact O-N 2.92Å; W172-K176 WeakPolarHBondContact O-CB 3.38Å; W172-K176 PolarHBondContact O-N 3.48Å
173	Q	97.8	Very high	97.4	Very high	117 Å²	117	69.3 Å²	69.3	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-71.8	-29.6	-178.6	-58.7	-46.1	-60.9	0	0	112.5	E100 N170 Y171 K176 K177	E100-Q173 PolarHBondContact OE1-N 3.39Å; N170-Q173 PolarHBondContact O-NE2 2.77Å; Y171-Q173 PolarHBondContact O-N 2.92Å; Y171-Q173 PolarHBondContact O-NE2 3.36Å; Y171-Q173 VanDerWaalsContact O-NE2 3.08Å; Q173-K176 PolarHBondContact O-N 2.85Å; Q173-K177 VanDerWaalsContact O-CB 3.29Å; Q173-K177 WeakPolarHBondContact O-CB 3.21Å; Q173-K177 PolarHBondContact O-N 3.12Å
174	G	97.8	Very high	97.4	Very high	12 Å²	12	69.9 Å²	69.9	12%	0.124	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-46.9	170.6	0	0	0	0	0	111.3	E100 W172 H178	E100-G174 WeakPolarHBondContact OE1-CA 3.47Å; E100-G174 PolarHBondContact OE1-N 2.89Å; W172-G174 VanDerWaalsContact C-N 3.35Å; G174-H178 WeakPolarHBondContact O-CB 3Å; G174-H178 PolarHBondContact O-CD2 2.91Å; G174-H178 PolarHBondContact O-N 2.81Å
175	W	98.5	Very high	97.2	Very high	10 Å²	10	66.3 Å²	66.3	4%	0.038	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-49.1	172.2	176.4	85.6	0	0	0	111.8	F88 N92 M96 E100 M169 W172 K177 H178 C179 E180	F88-W175 HydrophobicContact CD1-CZ2 4.18Å; F88-W175 HydrophobicContact CE1-CH2 4.06Å; F88-W175 AromaticContact CE1-CZ2 3.75Å; F88-W175 HydrophobicContact CE1-CZ2 3.75Å; N92-W175 PolarHBondContact OD1-NE1 3.07Å; M96-W175 HydrophobicContact CB-CB 3.87Å; M96-W175 HydrophobicContact CB-CG 4.25Å; M96-W175 HydrophobicContact CG-CB 3.81Å; E100-W175 PolarHBondContact OE1-N 3.01Å; M169-W175 HydrophobicContact CB-CD2 3.46Å; M169-W175 VanDerWaalsContact CB-CD2 3.46Å; M169-W175 HydrophobicContact CB-CE3 3.55Å; M169-W175 HydrophobicContact CB-CG 4.03Å; M169-W175 HydrophobicContact CB-CH2 4.11Å; M169-W175 HydrophobicContact CB-CZ2 4.01Å; M169-W175 HydrophobicContact CB-CZ3 3.88Å; M169-W175 HydrophobicContact CE-CG 4.46Å; W172-W175 HydrophobicContact CB-CB 3.76Å; W172-W175 PolarHBondContact O-N 2.92Å; W175-K177 VanDerWaalsContact C-N 3.34Å; W175-K177 PolarHBondContact O-N 3.45Å; W175-H178 PolarHBondContact O-N 2.89Å; W175-C179 HydrophobicContact CB-CB 4.46Å; W175-C179 HydrophobicContact CG-CB 3.92Å; W175-C179 WeakPolarHBondContact O-CA 3.07Å; W175-C179 VanDerWaalsContact O-CB 3.23Å; W175-C179 WeakPolarHBondContact O-CB 3.31Å; W175-C179 PolarHBondContact O-N 3.47Å; W175-E180 HydrophobicContact CE3-CB 4.3Å; W175-E180 HydrophobicContact CH2-CB 3.7Å; W175-E180 HydrophobicContact CH2-CG 3.6Å; W175-E180 HydrophobicContact CZ2-CB 4Å; W175-E180 HydrophobicContact CZ2-CG 4.21Å; W175-E180 HydrophobicContact CZ3-CB 3.86Å; W175-E180 HydrophobicContact CZ3-CG 3.99Å; W175-E180 PolarHBondContact O-N 3.2Å
176	K	98.1	Very high	97	Very high	94 Å²	94	67.2 Å²	67.2	41%	0.409	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-44.5	-177.3	-167.7	177.6	-175.7	174	0	112.6	W172 Q173 E180	W172-K176 WeakPolarHBondContact O-CB 3.38Å; W172-K176 PolarHBondContact O-N 3.48Å; Q173-K176 PolarHBondContact O-N 2.85Å; K176-E180 WeakPolarHBondContact CG-OE2 3.35Å; K176-E180 WeakPolarHBondContact O-CB 3.47Å
177	K	98.3	Very high	97	Very high	149 Å²	149	67 Å²	67	65%	0.648	34%	0.338	S	S	*	.	H	α-helix	trans	-75	-35.8	-178.1	-176.2	176.8	170.7	-170.2	0	113.2	Q173 W175 R182	Q173-K177 VanDerWaalsContact O-CB 3.29Å; Q173-K177 WeakPolarHBondContact O-CB 3.21Å; Q173-K177 PolarHBondContact O-N 3.12Å; W175-K177 VanDerWaalsContact C-N 3.34Å; W175-K177 PolarHBondContact O-N 3.45Å; K177-R182 PolarHBondContact O-NH2 3Å; K177-R182 VanDerWaalsContact O-NH2 3.17Å
178	H	98.3	Very high	97	Very high	59 Å²	59	63 Å²	63	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-117	-12.2	-166	-62.7	-82.4	0	0	0	115.8	Y99 G174 W175 R182	Y99-H178 HydrophobicContact CD1-CB 3.7Å; Y99-H178 AromaticContact CD1-CD2 3.55Å; Y99-H178 AromaticContact CD1-CG 3.47Å; Y99-H178 VanDerWaalsContact CD1-CG 3.47Å; Y99-H178 AromaticContact CD1-ND1 3.94Å; Y99-H178 HydrophobicContact CD2-CB 3.43Å; Y99-H178 VanDerWaalsContact CD2-CB 3.43Å; Y99-H178 HydrophobicContact CE1-CB 3.67Å; Y99-H178 AromaticContact CE1-CD2 3.93Å; Y99-H178 AromaticContact CE1-CE1 3.99Å; Y99-H178 AromaticContact CE1-CG 3.43Å; Y99-H178 VanDerWaalsContact CE1-CG 3.43Å; Y99-H178 AromaticContact CE1-ND1 3.49Å; Y99-H178 WeakPolarHBondContact CE1-ND1 3.49Å; Y99-H178 HydrophobicContact CE2-CB 3.38Å; Y99-H178 HydrophobicContact CG-CB 3.58Å; Y99-H178 AromaticContact CG-CD2 3.99Å; Y99-H178 AromaticContact CG-CG 3.85Å; Y99-H178 VanDerWaalsContact CZ-CB 3.5Å; Y99-H178 AromaticContact CZ-CG 3.78Å; Y99-H178 AromaticContact CZ-ND1 3.87Å; G174-H178 WeakPolarHBondContact O-CB 3Å; G174-H178 PolarHBondContact O-CD2 2.91Å; G174-H178 PolarHBondContact O-N 2.81Å; W175-H178 PolarHBondContact O-N 2.89Å; H178-R182 WeakPolarHBondContact O-CD 3.45Å; H178-R182 PolarHBondContact O-NE 3.02Å; H178-R182 VanDerWaalsContact O-NE 3.09Å
179	C	98.3	Very high	96.9	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.007	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-37.3	-174.4	-50.4	0	0	0	0	113.5	C95 W175 G181 R182 L184	C95-C179 HydrophobicContact CB-CB 3.85Å; C95-C179 WeakPolarHBondContact CB-SG 3.39Å; C95-C179 WeakPolarHBondContact SG-CB 3.19Å; C95-C179 CovalentContact SG-SG 2.03Å; C95-C179 PolarHBondContact SG-SG 3.16Å; W175-C179 HydrophobicContact CB-CB 4.46Å; W175-C179 HydrophobicContact CG-CB 3.92Å; W175-C179 WeakPolarHBondContact O-CA 3.07Å; W175-C179 VanDerWaalsContact O-CB 3.23Å; W175-C179 WeakPolarHBondContact O-CB 3.31Å; W175-C179 PolarHBondContact O-N 3.47Å; C179-G181 PolarHBondContact O-N 2.91Å; C179-R182 PolarHBondContact O-N 2.59Å; C179-L184 HydrophobicContact CB-CD1 4.11Å; C179-L184 HydrophobicContact CB-CD2 4.36Å
180	E	98	Very high	96.8	Very high	82 Å²	82	72 Å²	72	38%	0.383	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	134.1	-178.2	-174.5	170.8	-135	0	0	112.3	W175 K176 R182	W175-E180 HydrophobicContact CE3-CB 4.3Å; W175-E180 HydrophobicContact CH2-CB 3.7Å; W175-E180 HydrophobicContact CH2-CG 3.6Å; W175-E180 HydrophobicContact CZ2-CB 4Å; W175-E180 HydrophobicContact CZ2-CG 4.21Å; W175-E180 HydrophobicContact CZ3-CB 3.86Å; W175-E180 HydrophobicContact CZ3-CG 3.99Å; W175-E180 PolarHBondContact O-N 3.2Å; K176-E180 WeakPolarHBondContact CG-OE2 3.35Å; K176-E180 WeakPolarHBondContact O-CB 3.47Å; E180-R182 PolarHBondContact O-N 3.32Å
181	G	96.8	Very high	96.6	Very high	87 Å²	87	69 Å²	69	90%	0.897	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	5.1	176.4	0	0	0	0	0	116.4	C179	C179-G181 PolarHBondContact O-N 2.91Å
182	R	97.1	Very high	96.4	Very high	154 Å²	154	73.6 Å²	73.6	58%	0.581	39%	0.386	S	S	*	.	S	Bend	trans	-98.5	158.5	-180	-55.9	-177	-166	-91.5	-0.6	111.7	K177 H178 C179 E180 L184	K177-R182 PolarHBondContact O-NH2 3Å; K177-R182 VanDerWaalsContact O-NH2 3.17Å; H178-R182 WeakPolarHBondContact O-CD 3.45Å; H178-R182 PolarHBondContact O-NE 3.02Å; H178-R182 VanDerWaalsContact O-NE 3.09Å; C179-R182 PolarHBondContact O-N 2.59Å; E180-R182 PolarHBondContact O-N 3.32Å; R182-L184 HydrophobicContact CB-CD2 4.11Å; R182-L184 PolarHBondContact O-N 3Å
183	D	96.8	Very high	95.8	Very high	127 Å²	127	75 Å²	75	68%	0.679	39%	0.394	S	S	*	.			trans	-69.3	124.2	161.2	-177.9	17.4	0	0	0	109.1	S185	D183-S185 VanDerWaalsContact CG-OG 3.22Å; D183-S185 WeakPolarHBondContact OD1-CB 3.16Å; D183-S185 PolarHBondContact OD1-N 3.39Å; D183-S185 PolarHBondContact OD1-OG 3.3Å; D183-S185 VanDerWaalsContact OD1-OG 3.12Å; D183-S185 PolarHBondContact OD2-OG 3.33Å
184	L	97	Very high	94	Very high	11 Å²	11	77.5 Å²	77.5	6%	0.058	43%	0.425	C	S	.	.			trans	-113.3	13.5	179.6	-55.5	-179.9	0	0	0	112.7	N92 C95 C179 R182 E186 W187	N92-L184 HydrophobicContact CB-CD1 4.18Å; N92-L184 WeakPolarHBondContact OD1-CD1 3.42Å; C95-L184 HydrophobicContact CB-CD1 4.28Å; C95-L184 HydrophobicContact CB-CD2 4.22Å; C179-L184 HydrophobicContact CB-CD1 4.11Å; C179-L184 HydrophobicContact CB-CD2 4.36Å; R182-L184 HydrophobicContact CB-CD2 4.11Å; R182-L184 PolarHBondContact O-N 3Å; L184-E186 VanDerWaalsContact C-N 3.3Å; L184-E186 PolarHBondContact O-N 3.06Å; L184-W187 WeakPolarHBondContact O-CB 3.35Å; L184-W187 PolarHBondContact O-N 3.23Å; L184-W187 VanDerWaalsContact O-N 3.12Å
185	S	94.4	Very high	93.9	Very high	52 Å²	52	80.8 Å²	80.8	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-52.4	-45.2	176.2	64.3	0	0	0	0	112.7	D183 W187 K188 K189	D183-S185 VanDerWaalsContact CG-OG 3.22Å; D183-S185 WeakPolarHBondContact OD1-CB 3.16Å; D183-S185 PolarHBondContact OD1-N 3.39Å; D183-S185 PolarHBondContact OD1-OG 3.3Å; D183-S185 VanDerWaalsContact OD1-OG 3.12Å; D183-S185 PolarHBondContact OD2-OG 3.33Å; S185-W187 PolarHBondContact O-N 3.01Å; S185-K188 PolarHBondContact O-N 2.83Å; S185-K189 PolarHBondContact O-N 3.09Å
186	E	93.8	Very high	93.6	Very high	108 Å²	108	84.5 Å²	84.5	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-58.3	-28.8	179.1	-63.1	-64.2	123.5	0	0	113.1	R70 L184 K188 K189	R70-E186 PolarHBondContact NH1-O 2.79Å; L184-E186 VanDerWaalsContact C-N 3.3Å; L184-E186 PolarHBondContact O-N 3.06Å; E186-K188 VanDerWaalsContact C-N 3.29Å; E186-K188 PolarHBondContact O-N 2.93Å; E186-K189 VanDerWaalsContact CD-CD 3.42Å; E186-K189 WeakPolarHBondContact O-CB 3.47Å; E186-K189 PolarHBondContact O-N 3Å; E186-K189 VanDerWaalsContact OE1-CD 3.23Å; E186-K189 WeakPolarHBondContact OE1-CD 2.89Å; E186-K189 WeakPolarHBondContact OE1-CE 3.48Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 3.43Å; E186-K189 WeakPolarHBondContact OE2-CD 3.47Å; E186-K189 IonicContact OE2-NZ 2.82Å; E186-K189 PolarHBondContact OE2-NZ 3.17Å
187	W	96.1	Very high	93.4	Very high	48 Å²	48	84 Å²	84	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-66.6	-27.3	-179.6	-70.3	93.6	0	0	0	113.6	R70 I94 C95 Y98 Y99 Y103 L184 S185	R70-W187 WeakPolarHBondContact CD-O 3.33Å; R70-W187 VanDerWaalsContact NH1-C 3.34Å; R70-W187 PolarHBondContact NH1-O 3.23Å; I94-W187 HydrophobicContact CB-CB 4.24Å; I94-W187 HydrophobicContact CG2-CB 4.14Å; I94-W187 HydrophobicContact CG2-CE3 3.86Å; C95-W187 HydrophobicContact CB-CD2 3.84Å; C95-W187 HydrophobicContact CB-CE3 4.45Å; C95-W187 HydrophobicContact CB-CG 4.11Å; C95-W187 HydrophobicContact CB-CZ2 3.97Å; C95-W187 VanDerWaalsContact SG-CE2 3.55Å; C95-W187 VanDerWaalsContact SG-CZ2 3.51Å; Y98-W187 AromaticContact CD1-CH2 3.69Å; Y98-W187 HydrophobicContact CD1-CH2 3.69Å; Y98-W187 HydrophobicContact CD1-CZ3 4.21Å; Y98-W187 HydrophobicContact CD2-CZ3 4.43Å; Y98-W187 HydrophobicContact CE1-CH2 4.43Å; Y98-W187 AromaticContact CG-CH2 3.82Å; Y98-W187 HydrophobicContact CG-CH2 3.82Å; Y98-W187 AromaticContact CG-CZ3 3.86Å; Y98-W187 HydrophobicContact CG-CZ3 3.86Å; Y99-W187 HydrophobicContact CD2-CH2 4.48Å; Y99-W187 AromaticContact CE2-CH2 3.93Å; Y99-W187 HydrophobicContact CE2-CH2 3.93Å; Y99-W187 AromaticContact CE2-CZ2 3.79Å; Y99-W187 HydrophobicContact CE2-CZ2 3.79Å; Y103-W187 WeakPolarHBondContact OH-CZ3 3.45Å; L184-W187 WeakPolarHBondContact O-CB 3.35Å; L184-W187 PolarHBondContact O-N 3.23Å; L184-W187 VanDerWaalsContact O-N 3.12Å; S185-W187 PolarHBondContact O-N 3.01Å
188	K	93.8	Very high	93.1	Very high	75 Å²	75	80.2 Å²	80.2	33%	0.326	45%	0.453	S	S	.	.	H	α-helix	trans	-101.9	-9.6	171.8	70.7	172.8	177	176.2	0	114.7	D83 L90 I94 S185 E186 C191 V193	D83-K188 IonicContact OD2-NZ 2.63Å; D83-K188 PolarHBondContact OD2-NZ 3.13Å; L90-K188 HydrophobicContact CB-CD 4.3Å; L90-K188 HydrophobicContact CD2-CB 4.3Å; L90-K188 HydrophobicContact CD2-CD 4.14Å; I94-K188 HydrophobicContact CD1-CB 4.21Å; S185-K188 PolarHBondContact O-N 2.83Å; E186-K188 VanDerWaalsContact C-N 3.29Å; E186-K188 PolarHBondContact O-N 2.93Å; K188-C191 VanDerWaalsContact O-CB 3.29Å; K188-C191 WeakPolarHBondContact O-CB 3.33Å; K188-C191 PolarHBondContact O-N 3.27Å; K188-C191 VanDerWaalsContact O-N 3.1Å; K188-V193 HydrophobicContact CB-CG2 4.26Å; K188-V193 HydrophobicContact CD-CG2 4.28Å
189	K	94.9	Very high	92.7	Very high	117 Å²	117	81.5 Å²	81.5	51%	0.509	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.6	179.9	-173.1	-179.1	-176.8	177.4	0	112.8	R70 S185 E186 C191	R70-K189 PolarHBondContact NH1-O 2.99Å; R70-K189 PolarHBondContact NH2-O 2.97Å; S185-K189 PolarHBondContact O-N 3.09Å; E186-K189 VanDerWaalsContact CD-CD 3.42Å; E186-K189 WeakPolarHBondContact O-CB 3.47Å; E186-K189 PolarHBondContact O-N 3Å; E186-K189 VanDerWaalsContact OE1-CD 3.23Å; E186-K189 WeakPolarHBondContact OE1-CD 2.89Å; E186-K189 WeakPolarHBondContact OE1-CE 3.48Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 3.43Å; E186-K189 WeakPolarHBondContact OE2-CD 3.47Å; E186-K189 IonicContact OE2-NZ 2.82Å; E186-K189 PolarHBondContact OE2-NZ 3.17Å; K189-C191 PolarHBondContact O-N 2.97Å; K189-C191 VanDerWaalsContact O-N 3.15Å
190	G	94.4	Very high	92.4	Very high	74 Å²	74	86.9 Å²	86.9	76%	0.763	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	-1.1	-177.2	0	0	0	0	0	114.7
191	C	93.2	Very high	92	Very high	11 Å²	11	87.2 Å²	87.2	7%	0.074	50%	0.503	C	S	.	.	S	Bend	trans	-90.9	122.9	166.7	-48.6	0	0	0	0	107.6	R70 C71 A74 K188 K189 V193	R70-C191 PolarHBondContact NH1-SG 2.62Å; C71-C191 WeakPolarHBondContact CA-SG 3.01Å; C71-C191 HydrophobicContact CB-CB 3.61Å; C71-C191 WeakPolarHBondContact CB-SG 3.38Å; C71-C191 WeakPolarHBondContact SG-CA 3.1Å; C71-C191 WeakPolarHBondContact SG-CB 3.23Å; C71-C191 CovalentContact SG-SG 2.04Å; C71-C191 PolarHBondContact SG-SG 3.02Å; A74-C191 HydrophobicContact CB-CB 3.97Å; K188-C191 VanDerWaalsContact O-CB 3.29Å; K188-C191 WeakPolarHBondContact O-CB 3.33Å; K188-C191 PolarHBondContact O-N 3.27Å; K188-C191 VanDerWaalsContact O-N 3.1Å; K189-C191 PolarHBondContact O-N 2.97Å; K189-C191 VanDerWaalsContact O-N 3.15Å; C191-V193 HydrophobicContact CB-CG1 4.34Å; C191-V193 PolarHBondContact O-N 3.26Å
192	E	91.9	Very high	91.6	Very high	155 Å²	155	87.2 Å²	87.2	72%	0.724	47%	0.473	S	S	*	.			trans	-71.2	80.6	177	-53.2	149.7	146.5	0	0	109.3	K75	K75-E192 WeakPolarHBondContact CE-O 2.91Å; K75-E192 IonicContact NZ-OE2 2.66Å; K75-E192 PolarHBondContact NZ-OE2 3.17Å
193	V	86.6	Confident	91.1	Very high	32 Å²	32	81.7 Å²	81.7	19%	0.194	46%	0.464	C	S	.	.			trans	-119.4	120.3	175.9	-65.4	0	0	0	0	108.2	A74 K75 L90 K188 C191	A74-V193 HydrophobicContact CB-CG1 4.08Å; K75-V193 HydrophobicContact CB-CG1 4.44Å; K75-V193 HydrophobicContact CG-CG1 3.77Å; L90-V193 HydrophobicContact CD2-CB 4.34Å; L90-V193 HydrophobicContact CD2-CG1 4.48Å; L90-V193 HydrophobicContact CD2-CG2 3.87Å; K188-V193 HydrophobicContact CB-CG2 4.26Å; K188-V193 HydrophobicContact CD-CG2 4.28Å; C191-V193 HydrophobicContact CB-CG1 4.34Å; C191-V193 PolarHBondContact O-N 3.26Å
194	S	61	Low	90.6	Very high	170 Å²	170	77.5 Å²	77.5	100%	1.189	44%	0.444	S	S	*	.			trans	-83.6	0	176.4	56.4	0	0	0	0	111

Retrieved 194 of 194 residues in 278.6 ms (Link to these results)

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