A0A080YUZ9_HUMAN Loading...

Lysozyme D2

AlphaFold DB , UniProt , Accession A0A080YUZ9, Species HUMAN (Homo sapiens, Human), Gene LYZD2, 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	36.2	Very low	37.4	Very low	222 Å²	222	140.2 Å²	140.2	100%	1.094	82%	0.823	S	S	*	*				0	86.6	0	-107.8	105.7	146.1	0	0	106.1
2	Q	35.1	Very low	37.5	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	83%	0.829	S	S	*	*				68.1	121.2	100.7	-70.4	175.7	-6.9	0	0	110.9
3	D	31.6	Very low	37.5	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	82%	0.818	S	S	*	*			cis	-161.3	166.9	-5.9	-91.5	-45.2	0	0	0	107.6
4	A	42	Very low	37	Very low	83 Å²	83	146 Å²	146	69%	0.686	81%	0.813	S	S	*	*			trans	-60	161.8	-165.9	0	0	0	0	0	118.7
5	P	38.9	Very low	36.5	Very low	129 Å²	129	142.8 Å²	142.8	84%	0.838	81%	0.805	S	S	*	*			trans	-86.1	130.6	158.9	34	-27	0	0	0	110
6	L	39.5	Very low	36.5	Very low	168 Å²	168	140.1 Å²	140.1	88%	0.88	80%	0.798	S	S	*	*			trans	-118.4	135.1	172.1	-95.6	160.2	0	0	0	111.4
7	S	35.9	Very low	36.6	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	81%	0.806	S	S	*	*			trans	-74.3	168.2	-167.4	45.6	0	0	0	0	115.5
8	C	33.2	Very low	36.5	Very low	124 Å²	124	138.8 Å²	138.8	84%	0.838	80%	0.801	S	S	*	*			trans	-38.8	142.7	174	-51.1	0	0	0	0	116.6
9	L	34.3	Very low	36.3	Very low	171 Å²	171	137.7 Å²	137.7	90%	0.895	80%	0.802	S	S	*	*			trans	-136.4	117.3	156.5	-78.5	166.3	0	0	0	109.9
10	S	37.5	Very low	36.2	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	80%	0.804	S	S	*	*			trans	-105.6	164.3	140.2	-72.6	0	0	0	0	105.5
11	P	47.6	Very low	36.1	Very low	114 Å²	114	136.3 Å²	136.3	74%	0.74	80%	0.803	S	S	*	*			cis	-150	-178.8	35	37.8	-15	0	0	0	115.5
12	T	38.7	Very low	35.8	Very low	147 Å²	147	129.8 Å²	129.8	90%	0.902	78%	0.779	S	S	*	*			trans	178.1	165.4	139.4	32.8	0	0	0	0	110.3
13	K	37.3	Very low	35.7	Very low	158 Å²	158	128.2 Å²	128.2	69%	0.687	78%	0.781	S	S	*	*				-146	153.5	-105.3	-173.8	-178.5	-161.5	-173.2	0	109
14	W	29.7	Very low	35.9	Very low	197 Å²	197	128.8 Å²	128.8	75%	0.746	78%	0.779	S	S	*	*			trans	62	145.6	158.9	-94.3	-48.8	0	0	0	118.3
15	S	30.6	Very low	35.4	Very low	98 Å²	98	134 Å²	134	69%	0.685	79%	0.786	S	S	*	*			cis	-168.1	126.5	24.7	21.8	0	0	0	0	108.6
16	S	36.1	Very low	35.3	Very low	100 Å²	100	133 Å²	133	70%	0.699	78%	0.782	S	S	*	*				46.3	102.7	95.4	60.8	0	0	0	0	116.7
17	V	38.3	Very low	35.3	Very low	153 Å²	153	129.5 Å²	129.5	93%	0.927	78%	0.777	S	S	*	*			trans	-137.2	132.3	143.8	175.9	0	0	0	0	108.4
18	S	33.7	Very low	35.3	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	78%	0.782	S	S	*	*			trans	-126.6	142.7	178.4	46.7	0	0	0	0	109.4
19	S	34.3	Very low	35.5	Very low	117 Å²	117	128.2 Å²	128.2	82%	0.818	77%	0.774	S	S	*	*			trans	167.3	107.8	148.5	-74.3	0	0	0	0	106
20	A	34.1	Very low	35.5	Very low	101 Å²	101	125.1 Å²	125.1	84%	0.835	77%	0.774	S	S	*	*				57.7	130.1	77.6	0	0	0	0	0	110.8
21	D	33.8	Very low	35.2	Very low	145 Å²	145	123.4 Å²	123.4	78%	0.775	77%	0.773	S	S	*	*			cis	-170.3	160.8	31.2	-169.2	11.6	0	0	0	111
22	S	30.1	Very low	34.8	Very low	86 Å²	86	123.7 Å²	123.7	60%	0.601	77%	0.773	S	S	*	*			trans	64.2	135.5	146.5	63	0	0	0	0	119.7
23	T	33.3	Very low	35.2	Very low	132 Å²	132	128.3 Å²	128.3	81%	0.81	77%	0.774	S	S	*	*			cis	-163.3	151	31.7	-20.8	0	0	0	0	111.3
24	E	34.2	Very low	35.2	Very low	164 Å²	164	128 Å²	128	77%	0.766	78%	0.78	S	S	*	*			trans	-73.1	153.2	-176	-60.1	157.7	100.8	0	0	116.1
25	K	33.3	Very low	35.9	Very low	193 Å²	193	126.6 Å²	126.6	84%	0.839	79%	0.786	S	S	*	*				171.5	113	109.3	-96	174.9	176.8	174.9	0	109.1
26	S	36.3	Very low	37.1	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	78%	0.784	S	S	*	*				64.3	131.1	79.7	-64.1	0	0	0	0	112
27	A	39.3	Very low	37.3	Very low	93 Å²	93	131.4 Å²	131.4	77%	0.769	79%	0.792	S	S	*	*			cis	-166.7	156.1	-0.4	0	0	0	0	0	105.1
28	S	35.7	Very low	37.5	Very low	120 Å²	120	133 Å²	133	84%	0.839	79%	0.79	S	S	*	*				140.3	147.4	84.9	-153.9	0	0	0	0	104.9
29	A	37.3	Very low	37.9	Very low	80 Å²	80	139 Å²	139	66%	0.661	80%	0.803	S	S	*	*			cis	-157	136.7	2.3	0	0	0	0	0	105.6
30	A	33.8	Very low	38.7	Very low	107 Å²	107	139 Å²	139	88%	0.884	80%	0.802	S	S	*	*				86.6	113.4	101	0	0	0	0	0	114.5
31	G	32.1	Very low	39.3	Very low	74 Å²	74	142 Å²	142	76%	0.763	80%	0.803	S	S	*	*			trans	-179.1	47.1	173.9	0	0	0	0	0	111.7
32	T	38.3	Very low	40	Very low	120 Å²	120	146.6 Å²	146.6	74%	0.736	81%	0.81	S	S	*	*			trans	18.1	109.6	159.2	-23.7	0	0	0	0	118.5	N34	T32-N34 PolarHBondContact O-N 2.06Å
33	R	46.8	Very low	40.7	Very low	244 Å²	244	152.1 Å²	152.1	92%	0.921	83%	0.826	S	S	*	*			trans	-62.1	123.4	151.3	-68	175.9	-178.4	171.3	0.1	108.3
34	N	38.1	Very low	41.5	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	82%	0.823	S	S	*	*			trans	-133.2	122.3	153.2	-92.4	-36.4	0	0	0	108.8	T32	T32-N34 PolarHBondContact O-N 2.06Å
35	L	43.5	Very low	42.3	Very low	167 Å²	167	150.5 Å²	150.5	87%	0.874	83%	0.829	S	S	*	*			trans	-67.2	167.6	176.8	-96.6	147.1	0	0	0	111.6
36	P	56	Low	42.9	Very low	100 Å²	100	153 Å²	153	65%	0.649	83%	0.833	S	S	*	*	S	Bend	trans	-77.8	-175.6	-167.7	35.1	-36.1	0	0	0	112.2
37	F	41.7	Very low	43.7	Very low	199 Å²	199	157 Å²	157	87%	0.873	84%	0.842	S	S	*	*			trans	79.7	69.1	-176.8	-76.8	-99.9	0	0	0	116.1
38	Q	42.9	Very low	44	Very low	188 Å²	188	162.4 Å²	162.4	88%	0.879	85%	0.848	S	S	*	*			trans	-150.1	9.1	150.2	-126.3	-156.3	-3	0	0	119.3	C40	Q38-C40 VanDerWaalsContact C-N 3.3Å; Q38-C40 PolarHBondContact O-N 3.49Å
39	F	41.8	Very low	44.6	Very low	228 Å²	228	161.8 Å²	161.8	100%	1	85%	0.851	S	S	*	*	S	Bend	trans	-85.2	4.4	172.6	-101.7	-86.4	0	0	0	115
40	C	49.6	Very low	45.3	Very low	118 Å²	118	163 Å²	163	80%	0.797	86%	0.86	S	S	*	*	S	Bend	trans	-119.7	51.9	-175.5	-154.1	0	0	0	0	113.5	Q38	Q38-C40 VanDerWaalsContact C-N 3.3Å; Q38-C40 PolarHBondContact O-N 3.49Å
41	L	47.3	Very low	46	Very low	165 Å²	165	161.3 Å²	161.3	86%	0.864	85%	0.854	S	S	*	*			trans	-167.8	62.8	162.5	-114.2	138.1	0	0	0	113.4
42	R	48.8	Very low	47.1	Very low	240 Å²	240	165.4 Å²	165.4	91%	0.906	86%	0.857	S	S	*	*			trans	-147.6	86.8	153.4	-77.3	-162.8	-179.5	-155.3	-0.2	110.2
43	Q	45.3	Very low	47.7	Very low	203 Å²	203	167.7 Å²	167.7	95%	0.949	86%	0.863	S	S	*	*			trans	179.4	81	138.1	-96.8	172.3	95.9	0	0	108.3
44	A	49.9	Very low	48.2	Very low	90 Å²	90	161.5 Å²	161.5	74%	0.744	85%	0.853	S	S	*	*			trans	-127.4	86.8	164.7	0	0	0	0	0	107.8
45	L	50.3	Low	49.1	Very low	172 Å²	172	162.2 Å²	162.2	90%	0.901	86%	0.856	S	S	*	*			trans	179.9	91.5	150.6	-102.5	140.9	0	0	0	109.2
46	R	45.8	Very low	50	Low	245 Å²	245	161.7 Å²	161.7	93%	0.925	85%	0.852	S	S	*	*				-176.1	90	129.5	-77	-128	176.2	175.2	-1.3	107.5	K48	R46-K48 PolarHBondContact O-N 3.1Å
47	M	54	Low	50.2	Low	191 Å²	191	159.7 Å²	159.7	94%	0.941	85%	0.85	S	S	*	*			trans	-66.1	117.6	168.4	-67.4	-177.6	-66.3	0	0	109.2
48	K	44.8	Very low	50.7	Low	207 Å²	207	155.3 Å²	155.3	90%	0.9	84%	0.843	S	S	*	*			trans	-139.8	122.1	143.3	-72.4	-163.2	175.4	-175.4	0	107.8	R46	R46-K48 PolarHBondContact O-N 3.1Å
49	A	48.9	Very low	51.1	Low	107 Å²	107	153.7 Å²	153.7	88%	0.884	84%	0.84	S	S	*	*			trans	-59.8	134.2	-173.6	0	0	0	0	0	113
50	A	51.1	Low	51.7	Low	105 Å²	105	148.7 Å²	148.7	87%	0.868	83%	0.828	S	S	*	*			trans	167.6	130.2	132.8	0	0	0	0	0	110.2
51	G	48.3	Very low	52.1	Low	73 Å²	73	148.3 Å²	148.3	75%	0.753	82%	0.822	S	S	*	*			trans	102	101.5	161.3	0	0	0	0	0	115.1	L53	G51-L53 PolarHBondContact O-N 2.84Å
52	I	55.8	Low	52.4	Low	160 Å²	160	143.3 Å²	143.3	82%	0.821	81%	0.81	S	S	*	*			trans	-54.9	100.1	171.4	-65.4	157.2	0	0	0	109.5	T54	I52-T54 WeakPolarHBondContact CG2-OG1 3.27Å
53	L	51.3	Low	52.8	Low	167 Å²	167	135.1 Å²	135.1	87%	0.874	79%	0.794	S	S	*	*			trans	-103.2	82.5	164	-164.1	74.7	0	0	0	107	G51 L55	G51-L53 PolarHBondContact O-N 2.84Å; L53-L55 PolarHBondContact O-N 3.33Å
54	T	58	Low	53.5	Low	115 Å²	115	133 Å²	133	71%	0.706	78%	0.784	S	S	*	*			trans	-59.7	123.2	-177.1	-26.8	0	0	0	0	109.7	I52 I56	I52-T54 WeakPolarHBondContact CG2-OG1 3.27Å; T54-I56 PolarHBondContact O-N 3.12Å; T54-I56 VanDerWaalsContact O-N 3.16Å
55	L	56.7	Low	54.3	Low	166 Å²	166	132.2 Å²	132.2	87%	0.869	77%	0.773	S	S	*	*			trans	-51.7	114.1	177.6	-78	105	0	0	0	111.7	L53 G57	L53-L55 PolarHBondContact O-N 3.33Å; L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.47Å
56	I	62	Low	56.1	Low	156 Å²	156	126.6 Å²	126.6	80%	0.8	74%	0.741	S	S	*	*			trans	-82	88.1	156.8	-60.1	175	0	0	0	106	T54 C58	T54-I56 PolarHBondContact O-N 3.12Å; T54-I56 VanDerWaalsContact O-N 3.16Å; I56-C58 PolarHBondContact O-N 3.19Å; I56-C58 VanDerWaalsContact O-N 3.09Å
57	G	60.2	Low	58.5	Low	59 Å²	59	120.5 Å²	120.5	61%	0.608	73%	0.726	S	S	*	*			trans	-68	99.3	165.3	0	0	0	0	0	108.4	L55 L59	L55-G57 VanDerWaalsContact C-N 3.3Å; L55-G57 PolarHBondContact O-N 3.47Å; G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.81Å
58	C	52	Low	60.5	Low	107 Å²	107	112.2 Å²	112.2	72%	0.723	68%	0.684	S	S	*	*			trans	-64.3	96.4	165.6	-81.5	0	0	0	0	108.3	I56 V60	I56-C58 PolarHBondContact O-N 3.19Å; I56-C58 VanDerWaalsContact O-N 3.09Å; C58-V60 HydrophobicContact CB-CG2 4.14Å; C58-V60 PolarHBondContact O-N 3.2Å
59	L	51.8	Low	63	Low	153 Å²	153	106.7 Å²	106.7	80%	0.801	67%	0.668	S	S	*	*			trans	-65.9	85.3	152.5	-98.6	89.4	0	0	0	106.6	G57 T61	G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.81Å; L59-T61 HydrophobicContact CD2-CG2 4.13Å; L59-T61 PolarHBondContact O-N 3.38Å; L59-T61 VanDerWaalsContact O-N 3.12Å
60	V	54.3	Low	65.3	Low	124 Å²	124	105.2 Å²	105.2	75%	0.752	64%	0.639	S	S	*	*			trans	-80.3	81.7	156	-173.6	0	0	0	0	105.2	C58 G62	C58-V60 HydrophobicContact CB-CG2 4.14Å; C58-V60 PolarHBondContact O-N 3.2Å; V60-G62 PolarHBondContact O-N 3.29Å; V60-G62 VanDerWaalsContact O-N 3.14Å
61	T	57.2	Low	67.5	Low	109 Å²	109	101.9 Å²	101.9	67%	0.669	61%	0.609	S	S	*	*			trans	-61.1	112.7	157	50.9	0	0	0	0	105.2	L59 A63	L59-T61 HydrophobicContact CD2-CG2 4.13Å; L59-T61 PolarHBondContact O-N 3.38Å; L59-T61 VanDerWaalsContact O-N 3.12Å; T61-A63 PolarHBondContact O-N 3.24Å
62	G	53.4	Low	69.8	Low	60 Å²	60	103.4 Å²	103.4	62%	0.619	60%	0.595	S	S	*	*			trans	-50.4	128.6	171.4	0	0	0	0	0	108.4	V60 E64	V60-G62 PolarHBondContact O-N 3.29Å; V60-G62 VanDerWaalsContact O-N 3.14Å; G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 2.82Å
63	A	57.4	Low	71.7	Confident	68 Å²	68	95.8 Å²	95.8	56%	0.562	56%	0.556	S	S	*	*			trans	-68.7	92	172.5	0	0	0	0	0	107.1	T61 S65	T61-A63 PolarHBondContact O-N 3.24Å; A63-S65 PolarHBondContact O-N 3.3Å
64	E	60.8	Low	74	Confident	159 Å²	159	87.8 Å²	87.8	74%	0.743	51%	0.514	S	S	*	.			trans	-59.1	127.7	165.3	-72.7	-88.9	147.5	0	0	107.2	G62 K66	G62-E64 VanDerWaalsContact C-N 3.25Å; G62-E64 PolarHBondContact O-N 2.82Å; E64-K66 PolarHBondContact O-N 2.03Å
65	S	66.3	Low	75.9	Confident	73 Å²	73	85.5 Å²	85.5	51%	0.51	49%	0.494	S	S	.	.			trans	-70.1	127.4	176.9	175.3	0	0	0	0	109.8	A63 T106	A63-S65 PolarHBondContact O-N 3.3Å; S65-T106 VanDerWaalsContact CB-OG1 3.28Å; S65-T106 WeakPolarHBondContact CB-OG1 3.05Å; S65-T106 PolarHBondContact OG-OG1 3.38Å
66	K	87.5	Confident	77.8	Confident	54 Å²	54	79.6 Å²	79.6	24%	0.235	46%	0.463	C	S	.	.			trans	-126.4	118.6	-179.9	-171	167.1	-175.4	179.2	0	112.3	E64 Y68 T105 D150	E64-K66 PolarHBondContact O-N 2.03Å; K66-Y68 HydrophobicContact CB-CE2 4.41Å; K66-Y68 HydrophobicContact CD-CD2 4.4Å; K66-Y68 HydrophobicContact CD-CE1 4.32Å; K66-Y68 HydrophobicContact CD-CE2 3.73Å; K66-Y68 VanDerWaalsContact CE-CZ 3.48Å; K66-Y68 WeakPolarHBondContact CE-OH 3.26Å; K66-Y68 HydrophobicContact CG-CD2 4.06Å; K66-Y68 HydrophobicContact CG-CE2 3.86Å; K66-Y68 PolarHBondContact NZ-OH 3.17Å; K66-T105 PolarHBondContact N-OG1 3.21Å; K66-T105 WeakPolarHBondContact O-CG2 3.03Å; K66-T105 PolarHBondContact O-N 3.29Å; K66-T105 PolarHBondContact O-OG1 3.49Å; K66-D150 WeakPolarHBondContact CB-OD1 3.36Å; K66-D150 VanDerWaalsContact CD-OD1 3.24Å; K66-D150 WeakPolarHBondContact CD-OD1 3.45Å; K66-D150 WeakPolarHBondContact CD-OD2 3.19Å; K66-D150 IonicContact NZ-OD2 3.87Å; K66-D150 PolarHBondContact NZ-OD2 3.36Å
67	I	96.1	Very high	79.5	Confident	117 Å²	117	72.1 Å²	72.1	60%	0.6	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-92.4	112.6	167.2	-57.4	178.8	0	0	0	107.2	Y103 N104	I67-Y103 WeakPolarHBondContact CA-O 3.1Å; I67-N104 HydrophobicContact CG1-CB 4.05Å
68	Y	96.4	Very high	81.3	Confident	17 Å²	17	70.6 Å²	70.6	7%	0.067	41%	0.405	C	S	.	.			trans	-76.8	141.9	177.9	-82.7	-90.4	0	0	0	111.4	K66 K72 L73 I76 Y103 T105 D150 L152	K66-Y68 HydrophobicContact CB-CE2 4.41Å; K66-Y68 HydrophobicContact CD-CD2 4.4Å; K66-Y68 HydrophobicContact CD-CE1 4.32Å; K66-Y68 HydrophobicContact CD-CE2 3.73Å; K66-Y68 VanDerWaalsContact CE-CZ 3.48Å; K66-Y68 WeakPolarHBondContact CE-OH 3.26Å; K66-Y68 HydrophobicContact CG-CD2 4.06Å; K66-Y68 HydrophobicContact CG-CE2 3.86Å; K66-Y68 PolarHBondContact NZ-OH 3.17Å; Y68-K72 HydrophobicContact CD1-CB 4.28Å; Y68-K72 HydrophobicContact CD1-CD 3.76Å; Y68-K72 HydrophobicContact CD1-CG 3.81Å; Y68-K72 HydrophobicContact CE1-CD 3.91Å; Y68-K72 HydrophobicContact CE1-CG 4.08Å; Y68-L73 HydrophobicContact CG-CD1 4.25Å; Y68-I76 HydrophobicContact CD1-CD1 3.86Å; Y68-I76 HydrophobicContact CE1-CD1 3.3Å; Y68-Y103 PolarHBondContact N-O 3.36Å; Y68-Y103 WeakPolarHBondContact O-CB 3.34Å; Y68-Y103 WeakPolarHBondContact O-CD2 3.42Å; Y68-T105 HydrophobicContact CD2-CG2 3.63Å; Y68-T105 HydrophobicContact CE2-CG2 3.47Å; Y68-T105 VanDerWaalsContact CE2-CG2 3.47Å; Y68-D150 PolarHBondContact OH-O 2.93Å; Y68-L152 HydrophobicContact CD2-CD1 4.47Å; Y68-L152 HydrophobicContact CE2-CD1 4.21Å; Y68-L152 HydrophobicContact CE2-CD2 4.43Å; Y68-L152 HydrophobicContact CE2-CG 4.34Å
69	T	96.9	Very high	83.5	Confident	91 Å²	91	75.2 Å²	75.2	56%	0.558	41%	0.407	S	S	*	.			trans	-73.7	149.6	165.5	62.9	0	0	0	0	110.3	C71 K72 L73	T69-C71 PolarHBondContact O-N 3.01Å; T69-K72 PolarHBondContact O-N 2.78Å; T69-K72 VanDerWaalsContact O-N 3.17Å; T69-K72 WeakPolarHBondContact OG1-CB 3.3Å; T69-K72 PolarHBondContact OG1-N 2.88Å; T69-L73 PolarHBondContact O-N 3.35Å
70	R	97.3	Very high	85.7	Confident	76 Å²	76	69.7 Å²	69.7	29%	0.287	38%	0.384	S	S	.	.	H	α-helix	trans	-43.1	-55.1	177.4	-174.9	-179.6	65.6	87.3	-0.7	113.8	L73 A74 I94 Y103 D186 W187 K189 C191	R70-L73 PolarHBondContact O-N 3.09Å; R70-A74 WeakPolarHBondContact O-CB 3.21Å; R70-A74 PolarHBondContact O-N 2.99Å; R70-I94 HydrophobicContact CG-CG2 3.95Å; R70-Y103 HydrophobicContact CB-CE2 4.18Å; R70-D186 PolarHBondContact NH1-O 2.98Å; R70-W187 WeakPolarHBondContact CD-O 3.42Å; R70-W187 PolarHBondContact NH1-O 3.02Å; R70-K189 VanDerWaalsContact CZ-O 3.3Å; R70-K189 PolarHBondContact NH1-O 2.69Å; R70-K189 PolarHBondContact NH2-O 3.33Å; R70-C191 VanDerWaalsContact CZ-SG 3.58Å; R70-C191 PolarHBondContact NH1-SG 3.18Å
71	C	97.7	Very high	87.8	Confident	35 Å²	35	65.7 Å²	65.7	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-74.1	-32.9	-175.2	-67.9	0	0	0	0	114.5	T69 L73 A74 K75 C191	T69-C71 PolarHBondContact O-N 3.01Å; C71-L73 VanDerWaalsContact C-N 3.28Å; C71-L73 PolarHBondContact O-N 3.34Å; C71-A74 PolarHBondContact O-N 3.25Å; C71-K75 WeakPolarHBondContact O-CG 3.39Å; C71-K75 PolarHBondContact O-N 3.16Å; C71-C191 WeakPolarHBondContact CA-SG 2.74Å; C71-C191 HydrophobicContact CB-CB 3.57Å; C71-C191 WeakPolarHBondContact CB-SG 3.32Å; C71-C191 WeakPolarHBondContact SG-CA 3.41Å; C71-C191 WeakPolarHBondContact SG-CB 3.49Å; C71-C191 CovalentContact SG-SG 2.06Å; C71-C191 PolarHBondContact SG-SG 3.29Å
72	K	96.4	Very high	89.7	Confident	105 Å²	105	60.5 Å²	60.5	46%	0.457	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-42.7	171.2	-170.7	173.4	-176.5	173.3	0	110.6	Y68 T69 K75 I76	Y68-K72 HydrophobicContact CD1-CB 4.28Å; Y68-K72 HydrophobicContact CD1-CD 3.76Å; Y68-K72 HydrophobicContact CD1-CG 3.81Å; Y68-K72 HydrophobicContact CE1-CD 3.91Å; Y68-K72 HydrophobicContact CE1-CG 4.08Å; T69-K72 PolarHBondContact O-N 2.78Å; T69-K72 VanDerWaalsContact O-N 3.17Å; T69-K72 WeakPolarHBondContact OG1-CB 3.3Å; T69-K72 PolarHBondContact OG1-N 2.88Å; K72-K75 PolarHBondContact O-N 3.17Å; K72-I76 HydrophobicContact CG-CD1 4.38Å; K72-I76 WeakPolarHBondContact O-CG1 3.35Å; K72-I76 PolarHBondContact O-N 2.9Å; K72-I76 VanDerWaalsContact O-N 3.15Å
73	L	97.1	Very high	91.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-43.3	176.9	-165.1	64.8	0	0	0	111.9	Y68 T69 R70 C71 K75 I76 F77 A97 Y103 I120 L152	Y68-L73 HydrophobicContact CG-CD1 4.25Å; T69-L73 PolarHBondContact O-N 3.35Å; R70-L73 PolarHBondContact O-N 3.09Å; C71-L73 VanDerWaalsContact C-N 3.28Å; C71-L73 PolarHBondContact O-N 3.34Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 2.75Å; L73-I76 PolarHBondContact O-N 3.42Å; L73-I76 VanDerWaalsContact O-N 3.1Å; L73-F77 HydrophobicContact CD1-CD1 4.07Å; L73-F77 HydrophobicContact CD1-CE1 3.44Å; L73-F77 VanDerWaalsContact CD1-CE1 3.44Å; L73-F77 HydrophobicContact CD1-CE2 4.14Å; L73-F77 HydrophobicContact CD1-CZ 3.47Å; L73-F77 VanDerWaalsContact CD1-CZ 3.47Å; L73-F77 HydrophobicContact CD2-CD2 4.48Å; L73-F77 HydrophobicContact CD2-CE1 4.44Å; L73-F77 HydrophobicContact CD2-CE2 3.66Å; L73-F77 HydrophobicContact CD2-CZ 3.63Å; L73-F77 HydrophobicContact CG-CD1 4.24Å; L73-F77 HydrophobicContact CG-CD2 4.04Å; L73-F77 HydrophobicContact CG-CE1 3.82Å; L73-F77 HydrophobicContact CG-CE2 3.61Å; L73-F77 HydrophobicContact CG-CG 4.34Å; L73-F77 HydrophobicContact CG-CZ 3.48Å; L73-F77 VanDerWaalsContact CG-CZ 3.48Å; L73-F77 WeakPolarHBondContact O-CB 3.35Å; L73-F77 WeakPolarHBondContact O-CG 3.38Å; L73-F77 PolarHBondContact O-N 3.17Å; L73-A97 HydrophobicContact CD2-CB 3.96Å; L73-Y103 HydrophobicContact CD2-CD1 3.32Å; L73-Y103 HydrophobicContact CD2-CE1 3.53Å; L73-Y103 HydrophobicContact CD2-CG 4.06Å; L73-I120 HydrophobicContact CD1-CD1 3.54Å; L73-I120 HydrophobicContact CD2-CD1 3.89Å; L73-I120 HydrophobicContact CG-CD1 4.39Å; L73-L152 HydrophobicContact CD1-CD1 3.5Å; L73-L152 VanDerWaalsContact CD1-CD1 3.5Å
74	A	98.1	Very high	93.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-54.8	-45.8	175.2	0	0	0	0	0	112.1	R70 C71 F77 S78 I94 C191 V193	R70-A74 WeakPolarHBondContact O-CB 3.21Å; R70-A74 PolarHBondContact O-N 2.99Å; C71-A74 PolarHBondContact O-N 3.25Å; A74-F77 PolarHBondContact O-N 3.14Å; A74-S78 VanDerWaalsContact O-CB 3.28Å; A74-S78 WeakPolarHBondContact O-CB 3.03Å; A74-S78 PolarHBondContact O-N 3.39Å; A74-I94 HydrophobicContact CB-CD1 3.48Å; A74-I94 VanDerWaalsContact CB-CD1 3.48Å; A74-I94 HydrophobicContact CB-CG1 4.32Å; A74-C191 HydrophobicContact CB-CB 4.02Å; A74-V193 HydrophobicContact CB-CG1 3.9Å
75	K	97.8	Very high	95.5	Very high	66 Å²	66	57.6 Å²	57.6	29%	0.287	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-39.6	176.7	-70.3	-178.2	-178.3	-171.6	0	112.1	C71 K72 L73 R79 C191 E192 V193	C71-K75 WeakPolarHBondContact O-CG 3.39Å; C71-K75 PolarHBondContact O-N 3.16Å; K72-K75 PolarHBondContact O-N 3.17Å; L73-K75 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 2.75Å; K75-R79 WeakPolarHBondContact O-CB 3.42Å; K75-R79 WeakPolarHBondContact O-CD 3.18Å; K75-R79 WeakPolarHBondContact O-CG 3.45Å; K75-R79 PolarHBondContact O-N 2.76Å; K75-R79 VanDerWaalsContact O-N 3.13Å; K75-C191 WeakPolarHBondContact CE-O 3.37Å; K75-E192 IonicContact NZ-OE2 3.64Å; K75-E192 PolarHBondContact NZ-OE2 2.99Å; K75-E192 VanDerWaalsContact NZ-OE2 3.14Å; K75-V193 HydrophobicContact CG-CG1 3.96Å
76	I	97.3	Very high	97	Very high	42 Å²	42	60.1 Å²	60.1	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-49.4	176.1	-67.9	165	0	0	0	110.7	Y68 K72 L73 S78 R79 A80 L152 I156	Y68-I76 HydrophobicContact CD1-CD1 3.86Å; Y68-I76 HydrophobicContact CE1-CD1 3.3Å; K72-I76 HydrophobicContact CG-CD1 4.38Å; K72-I76 WeakPolarHBondContact O-CG1 3.35Å; K72-I76 PolarHBondContact O-N 2.9Å; K72-I76 VanDerWaalsContact O-N 3.15Å; L73-I76 PolarHBondContact O-N 3.42Å; L73-I76 VanDerWaalsContact O-N 3.1Å; I76-S78 PolarHBondContact O-N 3.02Å; I76-R79 PolarHBondContact O-N 3.16Å; I76-A80 WeakPolarHBondContact O-CB 3.19Å; I76-A80 PolarHBondContact O-N 3.44Å; I76-L152 HydrophobicContact CG2-CD1 4.25Å; I76-I156 HydrophobicContact CG2-CD1 4.14Å
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	-64.5	-40.3	-178.4	-72.8	-1.3	0	0	0	112.5	L73 A74 A80 G81 L82 L90 W93 I94 A97 F121 L152 I156	L73-F77 HydrophobicContact CD1-CD1 4.07Å; L73-F77 HydrophobicContact CD1-CE1 3.44Å; L73-F77 VanDerWaalsContact CD1-CE1 3.44Å; L73-F77 HydrophobicContact CD1-CE2 4.14Å; L73-F77 HydrophobicContact CD1-CZ 3.47Å; L73-F77 VanDerWaalsContact CD1-CZ 3.47Å; L73-F77 HydrophobicContact CD2-CD2 4.48Å; L73-F77 HydrophobicContact CD2-CE1 4.44Å; L73-F77 HydrophobicContact CD2-CE2 3.66Å; L73-F77 HydrophobicContact CD2-CZ 3.63Å; L73-F77 HydrophobicContact CG-CD1 4.24Å; L73-F77 HydrophobicContact CG-CD2 4.04Å; L73-F77 HydrophobicContact CG-CE1 3.82Å; L73-F77 HydrophobicContact CG-CE2 3.61Å; L73-F77 HydrophobicContact CG-CG 4.34Å; L73-F77 HydrophobicContact CG-CZ 3.48Å; L73-F77 VanDerWaalsContact CG-CZ 3.48Å; L73-F77 WeakPolarHBondContact O-CB 3.35Å; L73-F77 WeakPolarHBondContact O-CG 3.38Å; L73-F77 PolarHBondContact O-N 3.17Å; A74-F77 PolarHBondContact O-N 3.14Å; F77-A80 PolarHBondContact O-N 2.84Å; F77-G81 PolarHBondContact O-N 3.03Å; F77-L82 HydrophobicContact CB-CB 4.27Å; F77-L82 HydrophobicContact CB-CD1 3.78Å; F77-L82 HydrophobicContact CD1-CD1 3.74Å; F77-L82 HydrophobicContact CD2-CD1 4.2Å; F77-L82 HydrophobicContact CE1-CD1 4.35Å; F77-L82 HydrophobicContact CG-CD1 3.65Å; F77-L82 WeakPolarHBondContact O-CB 3.44Å; F77-L82 PolarHBondContact O-N 3.31Å; F77-L90 HydrophobicContact CB-CD1 3.49Å; F77-L90 VanDerWaalsContact CB-CD1 3.49Å; F77-W93 HydrophobicContact CD2-CB 3.77Å; F77-W93 HydrophobicContact CE2-CB 4.09Å; F77-I94 HydrophobicContact CD2-CG1 4.06Å; F77-A97 HydrophobicContact CE2-CB 4.12Å; F77-A97 HydrophobicContact CZ-CB 4.18Å; F77-F121 HydrophobicContact CE1-CE1 4.06Å; F77-F121 AromaticContact CE1-CZ 3.56Å; F77-F121 HydrophobicContact CE1-CZ 3.56Å; F77-F121 HydrophobicContact CE2-CE1 4.03Å; 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 3.39Å; F77-F121 HydrophobicContact CZ-CZ 3.39Å; F77-L152 HydrophobicContact CE1-CD1 4.04Å; F77-I156 HydrophobicContact CD1-CD1 4.04Å; F77-I156 HydrophobicContact CD1-CG1 4.48Å; F77-I156 HydrophobicContact CE1-CD1 4.2Å; F77-I156 HydrophobicContact CE1-CG1 4.32Å
78	S	98.1	Very high	97.5	Very high	27 Å²	27	57.1 Å²	57.1	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-52.5	173	159.8	0	0	0	0	110.8	A74 I76 A80 G81	A74-S78 VanDerWaalsContact O-CB 3.28Å; A74-S78 WeakPolarHBondContact O-CB 3.03Å; A74-S78 PolarHBondContact O-N 3.39Å; I76-S78 PolarHBondContact O-N 3.02Å; S78-A80 PolarHBondContact O-N 2.76Å; S78-G81 WeakPolarHBondContact O-CA 3.19Å; S78-G81 PolarHBondContact O-N 3.29Å
79	R	97.9	Very high	97.6	Very high	204 Å²	204	58.2 Å²	58.2	77%	0.77	31%	0.309	S	S	*	.	H	α-helix	trans	-61.6	-32	178.6	-71.2	171.6	-172.3	164.9	0.7	113.5	K75 I76 G81	K75-R79 WeakPolarHBondContact O-CB 3.42Å; K75-R79 WeakPolarHBondContact O-CD 3.18Å; K75-R79 WeakPolarHBondContact O-CG 3.45Å; K75-R79 PolarHBondContact O-N 2.76Å; K75-R79 VanDerWaalsContact O-N 3.13Å; I76-R79 PolarHBondContact O-N 3.16Å; R79-G81 PolarHBondContact O-N 3.33Å
80	A	97.9	Very high	97.6	Very high	37 Å²	37	53.9 Å²	53.9	31%	0.306	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	1.5	175.9	0	0	0	0	0	113.3	I76 F77 S78 I156 K160	I76-A80 WeakPolarHBondContact O-CB 3.19Å; I76-A80 PolarHBondContact O-N 3.44Å; F77-A80 PolarHBondContact O-N 2.84Å; S78-A80 PolarHBondContact O-N 2.76Å; A80-I156 HydrophobicContact CB-CD1 3.84Å; A80-I156 HydrophobicContact CB-CG2 4.02Å; A80-K160 PolarHBondContact O-NZ 3.14Å
81	G	97.8	Very high	97.7	Very high	39 Å²	39	50.3 Å²	50.3	40%	0.402	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	45.5	178.5	0	0	0	0	0	112.4	F77 S78 R79 K160	F77-G81 PolarHBondContact O-N 3.03Å; S78-G81 WeakPolarHBondContact O-CA 3.19Å; S78-G81 PolarHBondContact O-N 3.29Å; R79-G81 PolarHBondContact O-N 3.33Å; G81-K160 WeakPolarHBondContact O-CE 3.17Å; G81-K160 PolarHBondContact O-NZ 3.07Å
82	L	98.4	Very high	97.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.			trans	-91.9	-20	171.1	-69.7	176.6	0	0	0	113	F77 N84 Y85 W93 I156 K160	F77-L82 HydrophobicContact CB-CB 4.27Å; F77-L82 HydrophobicContact CB-CD1 3.78Å; F77-L82 HydrophobicContact CD1-CD1 3.74Å; F77-L82 HydrophobicContact CD2-CD1 4.2Å; F77-L82 HydrophobicContact CE1-CD1 4.35Å; F77-L82 HydrophobicContact CG-CD1 3.65Å; F77-L82 WeakPolarHBondContact O-CB 3.44Å; F77-L82 PolarHBondContact O-N 3.31Å; L82-N84 PolarHBondContact O-N 3.01Å; L82-Y85 WeakPolarHBondContact O-CB 3.19Å; L82-Y85 PolarHBondContact O-N 3.41Å; L82-Y85 VanDerWaalsContact O-N 3.16Å; L82-W93 HydrophobicContact CB-CD2 4.19Å; L82-W93 HydrophobicContact CB-CG 3.97Å; L82-W93 HydrophobicContact CD1-CB 4.43Å; L82-W93 HydrophobicContact CD1-CD2 4.07Å; L82-W93 HydrophobicContact CD1-CE3 4.12Å; L82-W93 HydrophobicContact CD1-CG 4.21Å; L82-W93 HydrophobicContact CD2-CD2 3.9Å; L82-W93 HydrophobicContact CD2-CE3 4.07Å; L82-W93 HydrophobicContact CD2-CH2 3.95Å; L82-W93 HydrophobicContact CD2-CZ2 3.8Å; L82-W93 HydrophobicContact CD2-CZ3 4.09Å; L82-W93 HydrophobicContact CG-CD2 4.3Å; L82-W93 HydrophobicContact CG-CG 4.49Å; L82-W93 PolarHBondContact O-NE1 3.48Å; L82-I156 HydrophobicContact CD1-CG1 4.31Å; L82-I156 HydrophobicContact CD1-CG2 4.08Å; L82-I156 HydrophobicContact CD2-CG2 4.11Å; L82-I156 HydrophobicContact CG-CG2 4.18Å; L82-K160 HydrophobicContact CD2-CD 4.21Å; L82-K160 HydrophobicContact CD2-CG 3.79Å
83	D	97.4	Very high	97.8	Very high	57 Å²	57	44.7 Å²	44.7	31%	0.305	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	126.4	174.8	-156.2	5.7	0	0	0	110.1	Y85 L90 K188	D83-Y85 PolarHBondContact O-N 3.31Å; D83-L90 HydrophobicContact CB-CB 3.91Å; D83-L90 HydrophobicContact CB-CD1 4.47Å; D83-L90 WeakPolarHBondContact OD1-CB 3.33Å; D83-L90 PolarHBondContact OD1-N 3.21Å; D83-K188 IonicContact OD2-NZ 3.14Å; D83-K188 PolarHBondContact OD2-NZ 3.26Å
84	N	97.2	Very high	97.9	Very high	114 Å²	114	44.7 Å²	44.7	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	16	-173.2	-60.3	-36.5	0	0	0	115.7	L82 W86 G87 F88	L82-N84 PolarHBondContact O-N 3.01Å; N84-W86 PolarHBondContact O-N 2.87Å; N84-G87 PolarHBondContact O-N 3.22Å; N84-F88 CarbonylContact C-O 3.56Å; N84-F88 WeakPolarHBondContact CA-O 2.86Å; N84-F88 PolarHBondContact N-O 3.47Å
85	Y	98.1	Very high	97.9	Very high	55 Å²	55	44.7 Å²	44.7	22%	0.216	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-64.3	121.8	173.6	-175.2	-92.3	0	0	0	110.1	L82 D83 G87 F88 W93 K160 V163	L82-Y85 WeakPolarHBondContact O-CB 3.19Å; L82-Y85 PolarHBondContact O-N 3.41Å; L82-Y85 VanDerWaalsContact O-N 3.16Å; D83-Y85 PolarHBondContact O-N 3.31Å; Y85-G87 PolarHBondContact O-N 3.37Å; Y85-G87 VanDerWaalsContact O-N 3.17Å; Y85-F88 PolarHBondContact N-O 2.72Å; Y85-F88 PolarHBondContact O-N 3.03Å; Y85-F88 VanDerWaalsContact O-N 3.07Å; Y85-W93 HydrophobicContact CD1-CH2 4.43Å; Y85-W93 AromaticContact CD1-CZ2 3.84Å; Y85-W93 HydrophobicContact CD1-CZ2 3.84Å; Y85-W93 HydrophobicContact CG-CZ2 4.5Å; Y85-K160 HydrophobicContact CD1-CG 4.12Å; Y85-K160 HydrophobicContact CD2-CD 4.13Å; Y85-K160 HydrophobicContact CD2-CG 4.28Å; Y85-K160 HydrophobicContact CE1-CB 3.85Å; Y85-K160 HydrophobicContact CE1-CG 3.77Å; Y85-K160 HydrophobicContact CE2-CB 4.32Å; Y85-K160 HydrophobicContact CE2-CD 3.82Å; Y85-K160 HydrophobicContact CE2-CG 3.95Å; Y85-K160 HydrophobicContact CG-CG 4.35Å; Y85-K160 PolarHBondContact OH-O 3.46Å; Y85-V163 HydrophobicContact CD1-CG1 4.44Å; Y85-V163 HydrophobicContact CE1-CB 4.36Å; Y85-V163 HydrophobicContact CE1-CG1 4.29Å
86	W	97.1	Very high	98	Very high	127 Å²	127	41.6 Å²	41.6	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	27.5	-176.5	-96.2	78	0	0	0	114.2	N84 F88 V163 K164	N84-W86 PolarHBondContact O-N 2.87Å; W86-F88 VanDerWaalsContact C-N 3.3Å; W86-F88 HydrophobicContact CB-CD2 4.22Å; W86-F88 WeakPolarHBondContact O-CD2 3.3Å; W86-F88 PolarHBondContact O-N 3.25Å; W86-V163 HydrophobicContact CB-CG1 3.62Å; W86-V163 HydrophobicContact CD2-CG1 4.41Å; W86-V163 HydrophobicContact CG-CG1 3.92Å; W86-K164 HydrophobicContact CZ2-CB 4.29Å; W86-K164 HydrophobicContact CZ2-CG 3.78Å
87	G	96.8	Very high	98.1	Very high	70 Å²	70	39.6 Å²	39.6	72%	0.722	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	2.5	-179.2	0	0	0	0	0	114.7	N84 Y85	N84-G87 PolarHBondContact O-N 3.22Å; Y85-G87 PolarHBondContact O-N 3.37Å; Y85-G87 VanDerWaalsContact O-N 3.17Å
88	F	98	Very high	98.1	Very high	38 Å²	38	45 Å²	45	17%	0.167	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-92.8	123.1	175.5	-64.6	-82.1	0	0	0	110.7	N84 Y85 W86 N92 V163 M169 W175	N84-F88 CarbonylContact C-O 3.56Å; N84-F88 WeakPolarHBondContact CA-O 2.86Å; N84-F88 PolarHBondContact N-O 3.47Å; Y85-F88 PolarHBondContact N-O 2.72Å; Y85-F88 PolarHBondContact O-N 3.03Å; Y85-F88 VanDerWaalsContact O-N 3.07Å; W86-F88 VanDerWaalsContact C-N 3.3Å; W86-F88 HydrophobicContact CB-CD2 4.22Å; W86-F88 WeakPolarHBondContact O-CD2 3.3Å; W86-F88 PolarHBondContact O-N 3.25Å; F88-N92 HydrophobicContact CB-CB 4.09Å; F88-N92 HydrophobicContact CD1-CB 4.33Å; F88-V163 HydrophobicContact CD2-CG1 4.23Å; F88-V163 HydrophobicContact CE2-CG1 4.15Å; F88-M169 HydrophobicContact CB-SD 4.03Å; F88-M169 HydrophobicContact CD1-CG 3.82Å; F88-M169 HydrophobicContact CD1-SD 3.53Å; F88-M169 VanDerWaalsContact CD1-SD 3.53Å; F88-M169 HydrophobicContact CD2-CG 4.06Å; F88-M169 HydrophobicContact CD2-SD 4.35Å; F88-M169 HydrophobicContact CE1-CB 4.19Å; F88-M169 HydrophobicContact CE1-CG 3.8Å; F88-M169 HydrophobicContact CE1-SD 4.07Å; F88-M169 HydrophobicContact CE2-CG 4.05Å; F88-M169 HydrophobicContact CG-CG 3.96Å; F88-M169 HydrophobicContact CG-SD 3.69Å; F88-M169 HydrophobicContact CZ-CB 4.35Å; F88-M169 HydrophobicContact CZ-CG 3.92Å; F88-W175 HydrophobicContact CD1-CZ2 4.17Å; F88-W175 HydrophobicContact CE1-CH2 4.01Å; F88-W175 AromaticContact CE1-CZ2 3.7Å; F88-W175 HydrophobicContact CE1-CZ2 3.7Å
89	S	97.8	Very high	98.1	Very high	39 Å²	39	48.2 Å²	48.2	27%	0.273	25%	0.248	S	C	.	.			trans	-63.9	159	175.6	69.2	0	0	0	0	111.8	G91 N92	S89-G91 PolarHBondContact O-N 3.12Å; S89-G91 VanDerWaalsContact O-N 3.09Å; S89-N92 PolarHBondContact N-ND2 3.19Å; S89-N92 VanDerWaalsContact O-CB 3.32Å; S89-N92 WeakPolarHBondContact O-CB 3.25Å; S89-N92 PolarHBondContact O-N 3.13Å; S89-N92 PolarHBondContact OG-ND2 3.29Å
90	L	98.2	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-52.4	-34.6	175	-172.2	65.5	0	0	0	113.2	F77 D83 N92 W93 I94 K188 V193	F77-L90 HydrophobicContact CB-CD1 3.49Å; F77-L90 VanDerWaalsContact CB-CD1 3.49Å; D83-L90 HydrophobicContact CB-CB 3.91Å; D83-L90 HydrophobicContact CB-CD1 4.47Å; D83-L90 WeakPolarHBondContact OD1-CB 3.33Å; D83-L90 PolarHBondContact OD1-N 3.21Å; L90-N92 VanDerWaalsContact C-N 3.26Å; L90-N92 PolarHBondContact O-N 3.12Å; L90-W93 PolarHBondContact O-N 2.94Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 HydrophobicContact CG-CG1 4.39Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.04Å; L90-I94 VanDerWaalsContact O-N 3.13Å; L90-K188 HydrophobicContact CB-CD 4.31Å; L90-K188 HydrophobicContact CD2-CB 4.34Å; L90-K188 HydrophobicContact CD2-CD 4.28Å; L90-V193 HydrophobicContact CD2-CB 4.26Å; L90-V193 HydrophobicContact CD2-CG1 4.29Å; L90-V193 HydrophobicContact CD2-CG2 3.97Å
91	G	98.3	Very high	98.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-32.8	177.1	0	0	0	0	0	113.4	S89 I94 C95	S89-G91 PolarHBondContact O-N 3.12Å; S89-G91 VanDerWaalsContact O-N 3.09Å; G91-I94 PolarHBondContact O-N 3.48Å; G91-C95 WeakPolarHBondContact O-CB 3.47Å; G91-C95 PolarHBondContact O-N 3.13Å
92	N	98.6	Very high	98.2	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-45.7	175.2	-78.4	-83.5	0	0	0	111.8	F88 S89 L90 C95 M96 M169 W175 L184	F88-N92 HydrophobicContact CB-CB 4.09Å; F88-N92 HydrophobicContact CD1-CB 4.33Å; S89-N92 PolarHBondContact N-ND2 3.19Å; S89-N92 VanDerWaalsContact O-CB 3.32Å; S89-N92 WeakPolarHBondContact O-CB 3.25Å; S89-N92 PolarHBondContact O-N 3.13Å; S89-N92 PolarHBondContact OG-ND2 3.29Å; L90-N92 VanDerWaalsContact C-N 3.26Å; L90-N92 PolarHBondContact O-N 3.12Å; N92-C95 PolarHBondContact O-N 3.28Å; N92-M96 VanDerWaalsContact O-CB 3.26Å; N92-M96 WeakPolarHBondContact O-CB 3.18Å; N92-M96 PolarHBondContact O-N 3.44Å; N92-M169 HydrophobicContact CB-CE 4.49Å; N92-M169 HydrophobicContact CB-SD 3.73Å; N92-W175 PolarHBondContact OD1-NE1 3.48Å; N92-L184 HydrophobicContact CB-CD1 4.18Å; N92-L184 WeakPolarHBondContact OD1-CD1 3.46Å
93	W	98.8	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-42.3	179.4	-64.2	97	0	0	0	112.4	F77 L82 Y85 L90 M96 A97 A159 V163 M169	F77-W93 HydrophobicContact CD2-CB 3.77Å; F77-W93 HydrophobicContact CE2-CB 4.09Å; L82-W93 HydrophobicContact CB-CD2 4.19Å; L82-W93 HydrophobicContact CB-CG 3.97Å; L82-W93 HydrophobicContact CD1-CB 4.43Å; L82-W93 HydrophobicContact CD1-CD2 4.07Å; L82-W93 HydrophobicContact CD1-CE3 4.12Å; L82-W93 HydrophobicContact CD1-CG 4.21Å; L82-W93 HydrophobicContact CD2-CD2 3.9Å; L82-W93 HydrophobicContact CD2-CE3 4.07Å; L82-W93 HydrophobicContact CD2-CH2 3.95Å; L82-W93 HydrophobicContact CD2-CZ2 3.8Å; L82-W93 HydrophobicContact CD2-CZ3 4.09Å; L82-W93 HydrophobicContact CG-CD2 4.3Å; L82-W93 HydrophobicContact CG-CG 4.49Å; L82-W93 PolarHBondContact O-NE1 3.48Å; Y85-W93 HydrophobicContact CD1-CH2 4.43Å; Y85-W93 AromaticContact CD1-CZ2 3.84Å; Y85-W93 HydrophobicContact CD1-CZ2 3.84Å; Y85-W93 HydrophobicContact CG-CZ2 4.5Å; L90-W93 PolarHBondContact O-N 2.94Å; W93-M96 HydrophobicContact CE3-CE 3.82Å; W93-M96 HydrophobicContact CZ3-CE 4.09Å; W93-A97 WeakPolarHBondContact O-CB 3.45Å; W93-A97 PolarHBondContact O-N 3.44Å; W93-A159 HydrophobicContact CZ3-CB 3.93Å; W93-V163 HydrophobicContact CH2-CB 4.35Å; W93-V163 HydrophobicContact CH2-CG2 3.47Å; W93-V163 VanDerWaalsContact CH2-CG2 3.47Å; W93-V163 HydrophobicContact CZ2-CG2 3.99Å; W93-V163 HydrophobicContact CZ3-CG2 4.32Å; W93-M169 HydrophobicContact CD2-CE 3.71Å; W93-M169 HydrophobicContact CE3-CE 3.65Å; W93-M169 HydrophobicContact CG-CE 4.29Å; W93-M169 HydrophobicContact CH2-CE 4.22Å; W93-M169 HydrophobicContact CZ2-CE 4.24Å; W93-M169 HydrophobicContact CZ3-CE 3.92Å
94	I	98.6	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-41.1	178.1	-59.7	165.4	0	0	0	110.7	R70 A74 F77 L90 G91 Y98 Y103 W187 K188	R70-I94 HydrophobicContact CG-CG2 3.95Å; A74-I94 HydrophobicContact CB-CD1 3.48Å; A74-I94 VanDerWaalsContact CB-CD1 3.48Å; A74-I94 HydrophobicContact CB-CG1 4.32Å; F77-I94 HydrophobicContact CD2-CG1 4.06Å; L90-I94 HydrophobicContact CD2-CD1 4.25Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 HydrophobicContact CG-CG1 4.39Å; L90-I94 WeakPolarHBondContact O-CG1 3.45Å; L90-I94 PolarHBondContact O-N 3.04Å; L90-I94 VanDerWaalsContact O-N 3.13Å; G91-I94 PolarHBondContact O-N 3.48Å; I94-Y98 PolarHBondContact O-N 3.45Å; I94-Y103 HydrophobicContact CG2-CE1 4.41Å; I94-Y103 WeakPolarHBondContact CG2-OH 3.36Å; I94-Y103 VanDerWaalsContact O-CE1 3.28Å; I94-Y103 WeakPolarHBondContact O-CE1 3.23Å; I94-Y103 PolarHBondContact O-OH 3.48Å; I94-W187 HydrophobicContact CB-CB 4.25Å; I94-W187 HydrophobicContact CG2-CB 4.22Å; I94-W187 HydrophobicContact CG2-CE3 3.79Å; I94-K188 HydrophobicContact CD1-CB 4.16Å
95	C	98.7	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-47.5	176.6	-175.8	0	0	0	0	111.3	G91 N92 A97 Y98 Y99 C179 L184 W187	G91-C95 WeakPolarHBondContact O-CB 3.47Å; G91-C95 PolarHBondContact O-N 3.13Å; N92-C95 PolarHBondContact O-N 3.28Å; C95-A97 PolarHBondContact O-N 2.88Å; C95-Y98 WeakPolarHBondContact O-CB 3.28Å; C95-Y98 PolarHBondContact O-N 2.89Å; C95-Y99 WeakPolarHBondContact O-CD2 3.4Å; C95-Y99 PolarHBondContact O-N 3.09Å; C95-Y99 VanDerWaalsContact O-N 3.13Å; C95-C179 HydrophobicContact CB-CB 3.87Å; C95-C179 WeakPolarHBondContact CB-SG 3.35Å; C95-C179 WeakPolarHBondContact SG-CB 3.42Å; C95-C179 CovalentContact SG-SG 2.03Å; C95-C179 PolarHBondContact SG-SG 2.84Å; C95-L184 HydrophobicContact CB-CD1 4.3Å; C95-L184 HydrophobicContact CB-CD2 4.2Å; C95-W187 HydrophobicContact CB-CD2 3.78Å; C95-W187 HydrophobicContact CB-CE3 4.34Å; C95-W187 HydrophobicContact CB-CG 4.13Å; C95-W187 HydrophobicContact CB-CH2 4.35Å; C95-W187 HydrophobicContact CB-CZ2 3.84Å; C95-W187 VanDerWaalsContact SG-CE2 3.54Å; C95-W187 WeakPolarHBondContact SG-CZ2 3.44Å
96	M	98.8	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-52.9	177.7	178.7	-88.8	-74.3	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 3.18Å; N92-M96 PolarHBondContact O-N 3.44Å; W93-M96 HydrophobicContact CE3-CE 3.82Å; W93-M96 HydrophobicContact CZ3-CE 4.09Å; M96-Y98 PolarHBondContact O-N 2.94Å; M96-Y98 VanDerWaalsContact O-N 3.12Å; M96-Y99 PolarHBondContact O-N 3.21Å; M96-Y99 VanDerWaalsContact O-N 3.12Å; M96-E100 HydrophobicContact CG-CG 4.03Å; M96-E100 WeakPolarHBondContact O-CB 3.36Å; M96-E100 VanDerWaalsContact O-CG 3.29Å; M96-E100 WeakPolarHBondContact O-CG 3.27Å; M96-E100 PolarHBondContact O-N 3.5Å; M96-E100 HydrophobicContact SD-CG 3.85Å; M96-F121 HydrophobicContact CE-CB 4.49Å; M96-F121 HydrophobicContact CE-CD1 3.39Å; M96-F121 HydrophobicContact CE-CE1 3.78Å; M96-F121 HydrophobicContact CE-CG 4.15Å; M96-F121 HydrophobicContact SD-CB 4.44Å; M96-F121 HydrophobicContact SD-CD1 3.73Å; M96-F121 HydrophobicContact SD-CE1 4.5Å; M96-M169 HydrophobicContact CB-CE 4.16Å; M96-M169 HydrophobicContact CE-CE 3.97Å; M96-M169 HydrophobicContact CG-CE 4.38Å; M96-W172 HydrophobicContact CE-CD2 4.06Å; M96-W172 HydrophobicContact CE-CE3 4.49Å; M96-W172 HydrophobicContact CE-CZ2 4.08Å; M96-W172 HydrophobicContact CG-CB 3.83Å; M96-W172 HydrophobicContact CG-CD2 4Å; M96-W172 HydrophobicContact CG-CG 3.66Å; M96-W172 HydrophobicContact SD-CD2 4.04Å; M96-W172 HydrophobicContact SD-CG 3.89Å; M96-W175 HydrophobicContact CB-CB 3.88Å; M96-W175 HydrophobicContact CB-CG 4.25Å; M96-W175 HydrophobicContact CG-CB 3.81Å
97	A	98.7	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-30.4	-179.2	0	0	0	0	0	113.2	L73 F77 W93 C95 S101 Y103 I120 F121	L73-A97 HydrophobicContact CD2-CB 3.96Å; F77-A97 HydrophobicContact CE2-CB 4.12Å; F77-A97 HydrophobicContact CZ-CB 4.18Å; W93-A97 WeakPolarHBondContact O-CB 3.45Å; W93-A97 PolarHBondContact O-N 3.44Å; C95-A97 PolarHBondContact O-N 2.88Å; A97-S101 PolarHBondContact O-N 2.98Å; A97-S101 PolarHBondContact O-OG 3.04Å; A97-Y103 HydrophobicContact CB-CD1 3.96Å; A97-Y103 HydrophobicContact CB-CE1 4Å; A97-Y103 PolarHBondContact O-N 3.41Å; A97-I120 HydrophobicContact CB-CG1 4.17Å; A97-F121 HydrophobicContact CB-CD1 4.24Å; A97-F121 HydrophobicContact CB-CE1 4.1Å
98	Y	98.6	Very high	98.2	Very high	113 Å²	113	29.4 Å²	29.4	44%	0.443	15%	0.151	S	C	.	.	H	α-helix	trans	-69.8	-49.5	175.8	-176.9	-100.9	0	0	0	111.7	I94 C95 M96 E100 G102 Y103 W187	I94-Y98 PolarHBondContact O-N 3.45Å; C95-Y98 WeakPolarHBondContact O-CB 3.28Å; C95-Y98 PolarHBondContact O-N 2.89Å; M96-Y98 PolarHBondContact O-N 2.94Å; M96-Y98 VanDerWaalsContact O-N 3.12Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 3.33Å; Y98-G102 VanDerWaalsContact O-CA 3.25Å; Y98-G102 WeakPolarHBondContact O-CA 3.19Å; Y98-G102 PolarHBondContact O-N 2.98Å; Y98-Y103 HydrophobicContact CD2-CD2 4.12Å; Y98-Y103 HydrophobicContact CD2-CE1 4.3Å; Y98-Y103 AromaticContact CD2-CE2 3.65Å; Y98-Y103 HydrophobicContact CD2-CE2 3.65Å; Y98-Y103 AromaticContact CD2-CZ 3.76Å; Y98-Y103 HydrophobicContact CG-CE1 4.45Å; Y98-Y103 HydrophobicContact CG-CE2 4.47Å; Y98-Y103 VanDerWaalsContact N-CE1 3.33Å; Y98-W187 AromaticContact CD1-CH2 3.71Å; Y98-W187 HydrophobicContact CD1-CH2 3.71Å; Y98-W187 HydrophobicContact CD1-CZ3 4.22Å; Y98-W187 HydrophobicContact CD2-CZ3 4.49Å; Y98-W187 HydrophobicContact CE1-CH2 4.48Å; Y98-W187 AromaticContact CG-CH2 3.85Å; Y98-W187 HydrophobicContact CG-CH2 3.85Å; Y98-W187 AromaticContact CG-CZ3 3.88Å; Y98-W187 HydrophobicContact CG-CZ3 3.88Å
99	Y	98.6	Very high	98.2	Very high	96 Å²	96	30.7 Å²	30.7	38%	0.376	16%	0.162	S	C	.	.	H	α-helix	trans	-76.1	-19.8	-176.1	-78.2	-73	0	0	0	113.8	C95 M96 H178 W187	C95-Y99 WeakPolarHBondContact O-CD2 3.4Å; C95-Y99 PolarHBondContact O-N 3.09Å; C95-Y99 VanDerWaalsContact O-N 3.13Å; M96-Y99 PolarHBondContact O-N 3.21Å; M96-Y99 VanDerWaalsContact O-N 3.12Å; Y99-H178 HydrophobicContact CD1-CB 3.71Å; Y99-H178 AromaticContact CD1-CD2 3.49Å; Y99-H178 VanDerWaalsContact CD1-CD2 3.49Å; Y99-H178 WeakPolarHBondContact CD1-CD2 3.38Å; Y99-H178 AromaticContact CD1-CG 3.43Å; Y99-H178 VanDerWaalsContact CD1-CG 3.43Å; Y99-H178 AromaticContact CD1-ND1 3.89Å; Y99-H178 HydrophobicContact CD2-CB 3.43Å; Y99-H178 VanDerWaalsContact CD2-CB 3.43Å; Y99-H178 HydrophobicContact CE1-CB 3.64Å; Y99-H178 AromaticContact CE1-CD2 3.86Å; Y99-H178 AromaticContact CE1-CE1 3.91Å; Y99-H178 AromaticContact CE1-CG 3.37Å; Y99-H178 AromaticContact CE1-ND1 3.41Å; Y99-H178 WeakPolarHBondContact CE1-ND1 3.41Å; Y99-H178 HydrophobicContact CE2-CB 3.35Å; Y99-H178 HydrophobicContact CG-CB 3.6Å; Y99-H178 AromaticContact CG-CD2 3.92Å; Y99-H178 AromaticContact CG-CG 3.82Å; Y99-H178 VanDerWaalsContact CZ-CB 3.45Å; Y99-H178 AromaticContact CZ-CG 3.71Å; Y99-H178 AromaticContact CZ-ND1 3.8Å; Y99-W187 HydrophobicContact CD2-CH2 4.42Å; Y99-W187 AromaticContact CE2-CH2 3.93Å; Y99-W187 HydrophobicContact CE2-CH2 3.93Å; Y99-W187 AromaticContact CE2-CZ2 3.81Å; Y99-W187 HydrophobicContact CE2-CZ2 3.81Å
100	E	98.6	Very high	98.2	Very high	42 Å²	42	33.8 Å²	33.8	20%	0.196	18%	0.179	C	C	.	.	H	α-helix	trans	-83.4	-45.8	174.6	-66.7	-60.7	159.1	0	0	112.2	M96 Y98 Q122 W172 Q173 G174	M96-E100 HydrophobicContact CG-CG 4.03Å; M96-E100 WeakPolarHBondContact O-CB 3.36Å; M96-E100 VanDerWaalsContact O-CG 3.29Å; M96-E100 WeakPolarHBondContact O-CG 3.27Å; M96-E100 PolarHBondContact O-N 3.5Å; M96-E100 HydrophobicContact SD-CG 3.85Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 3.33Å; E100-Q122 HydrophobicContact CB-CB 4.09Å; E100-Q122 HydrophobicContact CB-CG 3.81Å; E100-Q122 WeakPolarHBondContact O-CG 3.3Å; E100-W172 HydrophobicContact CG-CB 4.4Å; E100-W172 HydrophobicContact CG-CG 4.33Å; E100-W172 WeakPolarHBondContact OE1-CA 3.45Å; E100-W172 VanDerWaalsContact OE1-CB 3.27Å; E100-W172 WeakPolarHBondContact OE1-CB 3.29Å; E100-Q173 PolarHBondContact OE1-N 3.37Å; E100-G174 VanDerWaalsContact OE1-CA 3.3Å; E100-G174 WeakPolarHBondContact OE1-CA 3.01Å; E100-G174 PolarHBondContact OE1-N 3.04Å
101	S	98.5	Very high	98.1	Very high	18 Å²	18	37 Å²	37	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-133.9	-2.5	-170.1	67.6	0	0	0	0	115.5	A97 Y103 N104 I120	A97-S101 PolarHBondContact O-N 2.98Å; A97-S101 PolarHBondContact O-OG 3.04Å; S101-Y103 PolarHBondContact O-N 3.48Å; S101-Y103 PolarHBondContact OG-N 2.88Å; S101-N104 VanDerWaalsContact O-CB 3.3Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.39Å; S101-N104 VanDerWaalsContact O-N 3.16Å; S101-I120 WeakPolarHBondContact CB-O 3.05Å; S101-I120 WeakPolarHBondContact OG-CA 3.26Å; S101-I120 PolarHBondContact OG-O 3.42Å
102	G	98.3	Very high	97.9	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	30.8	-169	0	0	0	0	0	112.5	Y98 N104	Y98-G102 VanDerWaalsContact O-CA 3.25Å; Y98-G102 WeakPolarHBondContact O-CA 3.19Å; Y98-G102 PolarHBondContact O-N 2.98Å; G102-N104 PolarHBondContact O-N 3.37Å
103	Y	98.3	Very high	97.7	Very high	15 Å²	15	49.5 Å²	49.5	6%	0.059	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	14.9	-174.7	-49.3	-41.7	0	0	0	116.1	I67 Y68 R70 L73 I94 A97 Y98 S101 T105 W187	I67-Y103 WeakPolarHBondContact CA-O 3.1Å; Y68-Y103 PolarHBondContact N-O 3.36Å; Y68-Y103 WeakPolarHBondContact O-CB 3.34Å; Y68-Y103 WeakPolarHBondContact O-CD2 3.42Å; R70-Y103 HydrophobicContact CB-CE2 4.18Å; L73-Y103 HydrophobicContact CD2-CD1 3.32Å; L73-Y103 HydrophobicContact CD2-CE1 3.53Å; L73-Y103 HydrophobicContact CD2-CG 4.06Å; I94-Y103 HydrophobicContact CG2-CE1 4.41Å; I94-Y103 WeakPolarHBondContact CG2-OH 3.36Å; I94-Y103 VanDerWaalsContact O-CE1 3.28Å; I94-Y103 WeakPolarHBondContact O-CE1 3.23Å; I94-Y103 PolarHBondContact O-OH 3.48Å; A97-Y103 HydrophobicContact CB-CD1 3.96Å; A97-Y103 HydrophobicContact CB-CE1 4Å; A97-Y103 PolarHBondContact O-N 3.41Å; Y98-Y103 HydrophobicContact CD2-CD2 4.12Å; Y98-Y103 HydrophobicContact CD2-CE1 4.3Å; Y98-Y103 AromaticContact CD2-CE2 3.65Å; Y98-Y103 HydrophobicContact CD2-CE2 3.65Å; Y98-Y103 AromaticContact CD2-CZ 3.76Å; Y98-Y103 HydrophobicContact CG-CE1 4.45Å; Y98-Y103 HydrophobicContact CG-CE2 4.47Å; Y98-Y103 VanDerWaalsContact N-CE1 3.33Å; S101-Y103 PolarHBondContact O-N 3.48Å; S101-Y103 PolarHBondContact OG-N 2.88Å; Y103-T105 PolarHBondContact O-N 3.14Å; Y103-W187 VanDerWaalsContact OH-CZ3 3.3Å; Y103-W187 WeakPolarHBondContact OH-CZ3 3.39Å
104	N	97.9	Very high	97.4	Very high	39 Å²	39	51.5 Å²	51.5	21%	0.209	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-81.8	114.3	177.2	-177.8	-8	0	0	0	110.9	I67 S101 G102 T106 A107	I67-N104 HydrophobicContact CG1-CB 4.05Å; S101-N104 VanDerWaalsContact O-CB 3.3Å; S101-N104 WeakPolarHBondContact O-CB 3.47Å; S101-N104 PolarHBondContact O-N 3.39Å; S101-N104 VanDerWaalsContact O-N 3.16Å; G102-N104 PolarHBondContact O-N 3.37Å; N104-T106 PolarHBondContact O-N 2.97Å; N104-T106 PolarHBondContact OD1-N 2.87Å; N104-T106 PolarHBondContact OD1-OG1 3.19Å; N104-A107 HydrophobicContact CB-CB 4.12Å; N104-A107 WeakPolarHBondContact O-CB 3.41Å; N104-A107 PolarHBondContact O-N 3.14Å; N104-A107 PolarHBondContact OD1-N 3.38Å
105	T	97.4	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.8	179.3	57.7	0	0	0	0	114.4	K66 Y68 Y103 G119 V148 T149 L152	K66-T105 PolarHBondContact N-OG1 3.21Å; K66-T105 WeakPolarHBondContact O-CG2 3.03Å; K66-T105 PolarHBondContact O-N 3.29Å; K66-T105 PolarHBondContact O-OG1 3.49Å; Y68-T105 HydrophobicContact CD2-CG2 3.63Å; Y68-T105 HydrophobicContact CE2-CG2 3.47Å; Y68-T105 VanDerWaalsContact CE2-CG2 3.47Å; Y103-T105 PolarHBondContact O-N 3.14Å; T105-G119 VanDerWaalsContact O-CA 3.25Å; T105-G119 WeakPolarHBondContact O-CA 3.1Å; T105-V148 VanDerWaalsContact O-CA 3.28Å; T105-V148 WeakPolarHBondContact O-CA 3.24Å; T105-T149 WeakPolarHBondContact CB-O 3.28Å; T105-L152 HydrophobicContact CG2-CD2 3.61Å
106	T	96.2	Very high	97.2	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.184	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	7.7	-178.7	55.2	0	0	0	0	113.1	S65 N104 Q108	S65-T106 VanDerWaalsContact CB-OG1 3.28Å; S65-T106 WeakPolarHBondContact CB-OG1 3.05Å; S65-T106 PolarHBondContact OG-OG1 3.38Å; N104-T106 PolarHBondContact O-N 2.97Å; N104-T106 PolarHBondContact OD1-N 2.87Å; N104-T106 PolarHBondContact OD1-OG1 3.19Å; T106-Q108 PolarHBondContact O-N 2.76Å
107	A	97.6	Very high	97.2	Very high	15 Å²	15	54.3 Å²	54.3	12%	0.124	30%	0.299	C	S	.	.			trans	-56.9	132.1	178.1	0	0	0	0	0	110.9	N104 G119 Q122	N104-A107 HydrophobicContact CB-CB 4.12Å; N104-A107 WeakPolarHBondContact O-CB 3.41Å; N104-A107 PolarHBondContact O-N 3.14Å; N104-A107 PolarHBondContact OD1-N 3.38Å; A107-G119 PolarHBondContact O-N 3.33Å; A107-Q122 PolarHBondContact O-NE2 2.78Å
108	Q	97.6	Very high	97.1	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128	175.5	-74.5	174.4	90.3	0	0	109.2	T106 I116 D117 Y118 V148	T106-Q108 PolarHBondContact O-N 2.76Å; Q108-I116 HydrophobicContact CB-CG2 4.26Å; Q108-D117 VanDerWaalsContact CA-O 3.27Å; Q108-D117 WeakPolarHBondContact CA-O 3.28Å; Q108-Y118 HydrophobicContact CG-CD1 4.03Å; Q108-Y118 HydrophobicContact CG-CE1 4.3Å; Q108-V148 HydrophobicContact CG-CG1 4.15Å
109	T	97.9	Very high	97.1	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.7	179.3	-55	0	0	0	0	108.8	L111 I116 D117 Q122	T109-L111 HydrophobicContact CG2-CD2 4.21Å; T109-I116 CarbonylContact O-C 3.56Å; T109-I116 VanDerWaalsContact O-CA 3.27Å; T109-I116 WeakPolarHBondContact O-CA 3.25Å; T109-D117 PolarHBondContact N-O 3.35Å; T109-D117 VanDerWaalsContact N-O 3.14Å; T109-D117 PolarHBondContact O-N 3.04Å; T109-Q122 PolarHBondContact OG1-OE1 3.11Å
110	V	97.3	Very high	97.1	Very high	105 Å²	105	45.2 Å²	45.2	64%	0.636	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.5	174.7	-175.4	0	0	0	0	108.3	I116	V110-I116 HydrophobicContact CG2-CD1 4.38Å; V110-I116 HydrophobicContact CG2-CG1 4.17Å
111	L	96.2	Very high	97.1	Very high	66 Å²	66	43.3 Å²	43.3	35%	0.346	25%	0.254	S	S	.	.			trans	-96.7	165.1	177.6	-56.7	-173.7	0	0	0	111.4	T109 D113 G114 S115 N124	T109-L111 HydrophobicContact CG2-CD2 4.21Å; L111-D113 WeakPolarHBondContact CB-OD1 3.35Å; L111-D113 PolarHBondContact O-N 3.43Å; L111-G114 WeakPolarHBondContact O-CA 3.47Å; L111-G114 PolarHBondContact O-N 2.85Å; L111-S115 PolarHBondContact N-O 2.92Å; L111-N124 WeakPolarHBondContact CD1-ND2 3.37Å
112	D	95.9	Very high	97.1	Very high	181 Å²	181	42.8 Å²	42.8	97%	0.968	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.6	-176.9	-65.7	-22.3	0	0	0	113.4	G114	D112-G114 PolarHBondContact O-N 3.1Å
113	D	92.7	Very high	97.1	Very high	107 Å²	107	41.2 Å²	41.2	57%	0.572	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.3	176.1	73.1	-13.4	0	0	0	113.3	L111 S115	L111-D113 WeakPolarHBondContact CB-OD1 3.35Å; L111-D113 PolarHBondContact O-N 3.43Å; D113-S115 VanDerWaalsContact C-N 3.25Å; D113-S115 PolarHBondContact O-N 3.35Å; D113-S115 WeakPolarHBondContact OD1-CB 3.27Å; D113-S115 PolarHBondContact OD1-N 3.45Å; D113-S115 PolarHBondContact OD1-OG 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.13Å
114	G	93.1	Very high	97.1	Very high	42 Å²	42	41.2 Å²	41.2	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	78.1	3.4	-177.7	0	0	0	0	0	114.5	L111 D112	L111-G114 WeakPolarHBondContact O-CA 3.47Å; L111-G114 PolarHBondContact O-N 2.85Å; D112-G114 PolarHBondContact O-N 3.1Å
115	S	95.2	Very high	97.1	Very high	8 Å²	8	39.6 Å²	39.6	6%	0.056	23%	0.226	C	C	.	.			trans	-71.7	161.2	165.5	73.8	0	0	0	0	110.4	L111 D113 N124	L111-S115 PolarHBondContact N-O 2.92Å; D113-S115 VanDerWaalsContact C-N 3.25Å; D113-S115 PolarHBondContact O-N 3.35Å; D113-S115 WeakPolarHBondContact OD1-CB 3.27Å; D113-S115 PolarHBondContact OD1-N 3.45Å; D113-S115 PolarHBondContact OD1-OG 3.15Å; D113-S115 PolarHBondContact OD2-OG 3.13Å; S115-N124 PolarHBondContact OG-ND2 3.29Å; S115-N124 PolarHBondContact OG-OD1 3.02Å
116	I	97.4	Very high	97	Very high	27 Å²	27	46 Å²	46	14%	0.138	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.6	-178	-56.8	175.6	0	0	0	108.4	Q108 T109 V110 Y118 N124 S125	Q108-I116 HydrophobicContact CB-CG2 4.26Å; T109-I116 CarbonylContact O-C 3.56Å; T109-I116 VanDerWaalsContact O-CA 3.27Å; T109-I116 WeakPolarHBondContact O-CA 3.25Å; V110-I116 HydrophobicContact CG2-CD1 4.38Å; V110-I116 HydrophobicContact CG2-CG1 4.17Å; I116-Y118 HydrophobicContact CB-CD2 4.32Å; I116-Y118 HydrophobicContact CB-CE2 3.47Å; I116-Y118 VanDerWaalsContact CB-CE2 3.47Å; I116-Y118 HydrophobicContact CG2-CD2 4.1Å; I116-Y118 HydrophobicContact CG2-CE1 4.11Å; I116-Y118 HydrophobicContact CG2-CE2 3.53Å; I116-Y118 WeakPolarHBondContact O-CD2 3.42Å; I116-Y118 WeakPolarHBondContact O-CE2 3.22Å; I116-N124 WeakPolarHBondContact O-CA 3.48Å; I116-S125 PolarHBondContact N-OG 2.89Å; I116-S125 VanDerWaalsContact N-OG 3.08Å; I116-S125 PolarHBondContact O-N 2.92Å; I116-S125 PolarHBondContact O-OG 3.21Å
117	D	98.3	Very high	97	Very high	24 Å²	24	45.6 Å²	45.6	13%	0.128	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.1	170.7	-67	-28.3	0	0	0	110.3	Q108 T109 Q122 N124	Q108-D117 VanDerWaalsContact CA-O 3.27Å; Q108-D117 WeakPolarHBondContact CA-O 3.28Å; T109-D117 PolarHBondContact N-O 3.35Å; T109-D117 VanDerWaalsContact N-O 3.14Å; T109-D117 PolarHBondContact O-N 3.04Å; D117-Q122 HydrophobicContact CB-CB 3.85Å; D117-Q122 HydrophobicContact CB-CG 4.42Å; D117-N124 WeakPolarHBondContact OD1-CA 3.45Å; D117-N124 WeakPolarHBondContact OD1-CB 3.46Å; D117-N124 VanDerWaalsContact OD1-CG 3.31Å; D117-N124 PolarHBondContact OD1-ND2 2.92Å
118	Y	98.4	Very high	97	Very high	17 Å²	17	45.7 Å²	45.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135	-172	-68.7	-96.4	0	0	0	113.4	Q108 I116 Q122 I123 R131 C144 V148	Q108-Y118 HydrophobicContact CG-CD1 4.03Å; Q108-Y118 HydrophobicContact CG-CE1 4.3Å; I116-Y118 HydrophobicContact CB-CD2 4.32Å; I116-Y118 HydrophobicContact CB-CE2 3.47Å; I116-Y118 VanDerWaalsContact CB-CE2 3.47Å; I116-Y118 HydrophobicContact CG2-CD2 4.1Å; I116-Y118 HydrophobicContact CG2-CE1 4.11Å; I116-Y118 HydrophobicContact CG2-CE2 3.53Å; I116-Y118 WeakPolarHBondContact O-CD2 3.42Å; I116-Y118 WeakPolarHBondContact O-CE2 3.22Å; Y118-Q122 WeakPolarHBondContact O-CA 3.47Å; Y118-Q122 PolarHBondContact O-N 2.71Å; Y118-I123 PolarHBondContact N-O 2.83Å; Y118-I123 PolarHBondContact O-N 3.05Å; Y118-R131 WeakPolarHBondContact OH-CD 3.47Å; Y118-R131 WeakPolarHBondContact OH-CG 3.28Å; Y118-C144 HydrophobicContact CD1-CB 3.85Å; Y118-C144 HydrophobicContact CD2-CB 3.83Å; Y118-C144 HydrophobicContact CE1-CB 3.73Å; Y118-C144 HydrophobicContact CE2-CB 3.72Å; Y118-C144 HydrophobicContact CG-CB 3.91Å; Y118-V148 HydrophobicContact CD1-CG1 3.89Å
119	G	98.2	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-160.6	162.8	0	0	0	0	0	114.6	T105 A107 F121 Q122 L147	T105-G119 VanDerWaalsContact O-CA 3.25Å; T105-G119 WeakPolarHBondContact O-CA 3.1Å; A107-G119 PolarHBondContact O-N 3.33Å; G119-F121 PolarHBondContact O-N 2.88Å; G119-F121 VanDerWaalsContact O-N 3.11Å; G119-Q122 PolarHBondContact O-N 3.28Å; G119-Q122 PolarHBondContact O-NE2 3.26Å; G119-L147 WeakPolarHBondContact CA-O 3.44Å
120	I	98.5	Very high	96.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.4	-169.4	-164.2	167.4	0	0	0	113.8	L73 A97 S101 L152 A155	L73-I120 HydrophobicContact CD1-CD1 3.54Å; L73-I120 HydrophobicContact CD2-CD1 3.89Å; L73-I120 HydrophobicContact CG-CD1 4.39Å; A97-I120 HydrophobicContact CB-CG1 4.17Å; S101-I120 WeakPolarHBondContact CB-O 3.05Å; S101-I120 WeakPolarHBondContact OG-CA 3.26Å; S101-I120 PolarHBondContact OG-O 3.42Å; I120-L152 HydrophobicContact CB-CD2 4.4Å; I120-L152 HydrophobicContact CD1-CD1 3.97Å; I120-L152 HydrophobicContact CD1-CD2 4.35Å; I120-L152 HydrophobicContact CG2-CD2 3.87Å; I120-A155 HydrophobicContact CG2-CB 4.41Å
121	F	98.7	Very high	96.5	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	8	-179.3	-58.2	-48.3	0	0	0	113.3	F77 M96 A97 G119 I123 A155 I156 A159 W172	F77-F121 HydrophobicContact CE1-CE1 4.06Å; F77-F121 AromaticContact CE1-CZ 3.56Å; F77-F121 HydrophobicContact CE1-CZ 3.56Å; F77-F121 HydrophobicContact CE2-CE1 4.03Å; 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 3.39Å; F77-F121 HydrophobicContact CZ-CZ 3.39Å; M96-F121 HydrophobicContact CE-CB 4.49Å; M96-F121 HydrophobicContact CE-CD1 3.39Å; M96-F121 HydrophobicContact CE-CE1 3.78Å; M96-F121 HydrophobicContact CE-CG 4.15Å; M96-F121 HydrophobicContact SD-CB 4.44Å; M96-F121 HydrophobicContact SD-CD1 3.73Å; M96-F121 HydrophobicContact SD-CE1 4.5Å; A97-F121 HydrophobicContact CB-CD1 4.24Å; A97-F121 HydrophobicContact CB-CE1 4.1Å; G119-F121 PolarHBondContact O-N 2.88Å; G119-F121 VanDerWaalsContact O-N 3.11Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 HydrophobicContact CB-CD1 4.05Å; F121-I123 HydrophobicContact CB-CG1 3.93Å; F121-I123 HydrophobicContact CD2-CD1 4.34Å; F121-I123 PolarHBondContact O-N 2.8Å; F121-A155 HydrophobicContact CD2-CB 3.85Å; F121-A155 WeakPolarHBondContact CD2-O 3.19Å; F121-A155 HydrophobicContact CE2-CB 4.01Å; F121-I156 HydrophobicContact CE2-CB 4.48Å; F121-I156 HydrophobicContact CE2-CG1 3.82Å; F121-I156 HydrophobicContact CZ-CG1 4.02Å; F121-A159 HydrophobicContact CD2-CB 3.72Å; F121-A159 HydrophobicContact CE2-CB 3.96Å; F121-A159 HydrophobicContact CG-CB 4.22Å; F121-W172 PolarHBondContact O-NE1 3.37Å
122	Q	98.7	Very high	95.7	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	53.1	-179.4	-69	-62.6	-88.5	0	0	112.7	E100 A107 T109 D117 Y118 G119	E100-Q122 HydrophobicContact CB-CB 4.09Å; E100-Q122 HydrophobicContact CB-CG 3.81Å; E100-Q122 WeakPolarHBondContact O-CG 3.3Å; A107-Q122 PolarHBondContact O-NE2 2.78Å; T109-Q122 PolarHBondContact OG1-OE1 3.11Å; D117-Q122 HydrophobicContact CB-CB 3.85Å; D117-Q122 HydrophobicContact CB-CG 4.42Å; Y118-Q122 WeakPolarHBondContact O-CA 3.47Å; Y118-Q122 PolarHBondContact O-N 2.71Å; G119-Q122 PolarHBondContact O-N 3.28Å; G119-Q122 PolarHBondContact O-NE2 3.26Å
123	I	98.6	Very high	94.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.2	-177	-67.7	166.3	0	0	0	109.7	Y118 F121 W128 L147 C158 I162	Y118-I123 PolarHBondContact N-O 2.83Å; Y118-I123 PolarHBondContact O-N 3.05Å; F121-I123 VanDerWaalsContact C-N 3.32Å; F121-I123 HydrophobicContact CB-CD1 4.05Å; F121-I123 HydrophobicContact CB-CG1 3.93Å; F121-I123 HydrophobicContact CD2-CD1 4.34Å; F121-I123 PolarHBondContact O-N 2.8Å; I123-W128 HydrophobicContact CG2-CB 3.38Å; I123-W128 HydrophobicContact CG2-CG 4.02Å; I123-L147 HydrophobicContact CB-CD1 3.88Å; I123-L147 HydrophobicContact CD1-CD1 4.23Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; I123-L147 HydrophobicContact CG2-CD1 3.72Å; I123-C158 HydrophobicContact CD1-CB 3.95Å; I123-I162 HydrophobicContact CD1-CD1 4.36Å; I123-I162 HydrophobicContact CG1-CD1 3.92Å; I123-I162 HydrophobicContact CG2-CD1 4.18Å
124	N	98	Very high	93.6	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.8	-170	-169	-86.2	0	0	0	114.4	L111 S115 I116 D117 F126 W128 Y171	L111-N124 WeakPolarHBondContact CD1-ND2 3.37Å; S115-N124 PolarHBondContact OG-ND2 3.29Å; S115-N124 PolarHBondContact OG-OD1 3.02Å; I116-N124 WeakPolarHBondContact O-CA 3.48Å; D117-N124 WeakPolarHBondContact OD1-CA 3.45Å; D117-N124 WeakPolarHBondContact OD1-CB 3.46Å; D117-N124 VanDerWaalsContact OD1-CG 3.31Å; D117-N124 PolarHBondContact OD1-ND2 2.92Å; N124-F126 VanDerWaalsContact C-N 3.31Å; N124-F126 PolarHBondContact O-N 3.5Å; N124-F126 WeakPolarHBondContact OD1-CA 3.27Å; N124-F126 WeakPolarHBondContact OD1-CB 3.44Å; N124-F126 PolarHBondContact OD1-N 3.34Å; N124-W128 PolarHBondContact O-N 3.48Å; N124-Y171 WeakPolarHBondContact CB-OH 3.45Å; N124-Y171 PolarHBondContact N-OH 2.96Å
125	S	96.9	Very high	92.8	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.035	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.2	178.3	60	0	0	0	0	116.2	I116 A127	I116-S125 PolarHBondContact N-OG 2.89Å; I116-S125 VanDerWaalsContact N-OG 3.08Å; I116-S125 PolarHBondContact O-N 2.92Å; I116-S125 PolarHBondContact O-OG 3.21Å; S125-A127 VanDerWaalsContact C-N 3.29Å
126	F	95.3	Very high	92.1	Very high	133 Å²	133	52 Å²	52	58%	0.583	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.1	175.9	179.7	-98.7	0	0	0	111.8	N124 N137	N124-F126 VanDerWaalsContact C-N 3.31Å; N124-F126 PolarHBondContact O-N 3.5Å; N124-F126 WeakPolarHBondContact OD1-CA 3.27Å; N124-F126 WeakPolarHBondContact OD1-CB 3.44Å; N124-F126 PolarHBondContact OD1-N 3.34Å; F126-N137 WeakPolarHBondContact O-CB 3.38Å; F126-N137 PolarHBondContact O-ND2 3.04Å
127	A	95.7	Very high	91.6	Very high	22 Å²	22	54.9 Å²	54.9	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-42	-174.2	0	0	0	0	0	113.7	S125 N137 N138 H139	S125-A127 VanDerWaalsContact C-N 3.29Å; A127-N137 CarbonylContact O-C 3.45Å; A127-N138 PolarHBondContact O-N 3.29Å; A127-H139 PolarHBondContact O-CD2 3.06Å; A127-H139 PolarHBondContact O-N 3.31Å
128	W	98	Very high	91.5	Very high	17 Å²	17	54.9 Å²	54.9	6%	0.064	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-34.1	-157.5	-61.7	108.7	0	0	0	114.6	I123 N124 N138 H139 C140 I162 E165 T166 Y171	I123-W128 HydrophobicContact CG2-CB 3.38Å; I123-W128 HydrophobicContact CG2-CG 4.02Å; N124-W128 PolarHBondContact O-N 3.48Å; W128-N138 PolarHBondContact O-OD1 3.44Å; W128-H139 HydrophobicContact CD2-CB 4.44Å; W128-H139 HydrophobicContact CE3-CB 3.51Å; W128-H139 HydrophobicContact CZ3-CB 3.7Å; W128-C140 VanDerWaalsContact O-CB 3.22Å; W128-C140 WeakPolarHBondContact O-CB 3.5Å; W128-C140 PolarHBondContact O-N 3.07Å; W128-I162 HydrophobicContact CD2-CD1 3.85Å; W128-I162 HydrophobicContact CD2-CG1 3.49Å; W128-I162 VanDerWaalsContact CD2-CG1 3.49Å; W128-I162 HydrophobicContact CE3-CD1 4.26Å; W128-I162 HydrophobicContact CE3-CG1 3.49Å; W128-I162 VanDerWaalsContact CE3-CG1 3.49Å; W128-I162 HydrophobicContact CG-CD1 3.98Å; W128-I162 HydrophobicContact CG-CG1 4.17Å; W128-I162 HydrophobicContact CH2-CB 4.17Å; W128-I162 HydrophobicContact CH2-CG1 3.78Å; W128-I162 HydrophobicContact CH2-CG2 4.35Å; W128-I162 HydrophobicContact CZ2-CB 4.24Å; W128-I162 HydrophobicContact CZ2-CG1 3.74Å; W128-I162 HydrophobicContact CZ2-CG2 4.02Å; W128-I162 HydrophobicContact CZ3-CB 4.37Å; W128-I162 HydrophobicContact CZ3-CG1 3.64Å; W128-E165 HydrophobicContact CH2-CB 4.1Å; W128-T166 HydrophobicContact CH2-CG2 4.3Å; W128-T166 HydrophobicContact CZ2-CG2 4.04Å; W128-Y171 AromaticContact CD1-CE2 3.89Å; W128-Y171 AromaticContact CD1-CZ 3.67Å; W128-Y171 AromaticContact NE1-CD2 3.86Å; W128-Y171 AromaticContact NE1-CE2 3.17Å; W128-Y171 AromaticContact NE1-CZ 3.38Å
129	C	97.3	Very high	91.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.9	-177.1	70.6	0	0	0	0	112	N138 V142 C144 L147	C129-N138 WeakPolarHBondContact CA-OD1 3.09Å; C129-V142 HydrophobicContact CB-CG1 3.89Å; C129-C144 HydrophobicContact CB-CB 3.98Å; C129-C144 WeakPolarHBondContact CB-SG 3.47Å; C129-C144 PolarHBondContact O-SG 2.9Å; C129-C144 VanDerWaalsContact O-SG 3.39Å; C129-C144 VanDerWaalsContact SG-CA 3.5Å; C129-C144 WeakPolarHBondContact SG-CB 3.17Å; C129-C144 CovalentContact SG-SG 2.04Å; C129-C144 PolarHBondContact SG-SG 2.96Å; C129-L147 HydrophobicContact CB-CD1 3.72Å
130	R	94.7	Very high	91.4	Very high	101 Å²	101	58.9 Å²	58.9	38%	0.381	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.9	179.6	-178.6	173	60.3	171.6	0.7	111.8	K133 E136 N138 V142 A143 C144	R130-K133 VanDerWaalsContact CD-O 3.3Å; R130-K133 WeakPolarHBondContact CD-O 3.32Å; R130-E136 HydrophobicContact CG-CB 4.32Å; R130-N138 HydrophobicContact CB-CB 4.11Å; R130-N138 WeakPolarHBondContact CB-ND2 3.43Å; R130-V142 PolarHBondContact N-O 2.88Å; R130-A143 CarbonylContact O-C 3.56Å; R130-A143 VanDerWaalsContact O-CA 3.32Å; R130-A143 WeakPolarHBondContact O-CA 3.28Å; R130-C144 VanDerWaalsContact C-SG 3.53Å; R130-C144 PolarHBondContact O-N 2.89Å
131	R	89.8	Confident	91.3	Very high	114 Å²	114	66.2 Å²	66.2	43%	0.43	32%	0.323	S	S	.	.	S	Bend	trans	-89.5	-28.6	177.9	-63.1	178	-58.9	170.1	-5.4	113.2	Y118 E136 C144	Y118-R131 WeakPolarHBondContact OH-CD 3.47Å; Y118-R131 WeakPolarHBondContact OH-CG 3.28Å; R131-E136 IonicContact CZ-OE1 3.5Å; R131-E136 PolarHBondContact N-OE2 3.5Å; R131-E136 IonicContact NE-OE1 3.59Å; R131-E136 PolarHBondContact NE-OE1 2.89Å; R131-E136 IonicContact NH2-OE1 2.87Å; R131-E136 PolarHBondContact NH2-OE1 3.14Å; R131-C144 HydrophobicContact CG-CB 4.2Å
132	G	79.6	Confident	91.2	Very high	62 Å²	62	67 Å²	67	64%	0.639	33%	0.328	S	S	*	.	S	Bend	trans	157.3	-6.9	179.7	0	0	0	0	0	115.1
133	K	76.7	Confident	91.1	Very high	143 Å²	143	68.8 Å²	68.8	62%	0.622	34%	0.344	S	S	*	.			trans	-90.1	131.9	175.6	-62.5	178.6	-178.6	179	0	109.9	R130 K135 E136	R130-K133 VanDerWaalsContact CD-O 3.3Å; R130-K133 WeakPolarHBondContact CD-O 3.32Å; K133-K135 PolarHBondContact O-N 2.92Å; K133-E136 HydrophobicContact CB-CG 3.92Å; K133-E136 PolarHBondContact O-N 3.34Å
134	L	68.7	Low	91	Very high	156 Å²	156	68.8 Å²	68.8	82%	0.817	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.7	-176.5	-70.2	174.2	0	0	0	114.3
135	K	75.8	Confident	90.9	Very high	206 Å²	206	72 Å²	72	90%	0.896	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	9.2	-177.3	-61.6	-173	178.5	-175.8	0	114.3	K133	K133-K135 PolarHBondContact O-N 2.92Å
136	E	80.1	Confident	90.9	Very high	38 Å²	38	72.8 Å²	72.8	18%	0.178	38%	0.375	C	S	.	.	S	Bend	trans	-78.9	142.1	175.3	-72.7	171.8	162.8	0	0	110.3	R130 R131 K133	R130-E136 HydrophobicContact CG-CB 4.32Å; R131-E136 IonicContact CZ-OE1 3.5Å; R131-E136 PolarHBondContact N-OE2 3.5Å; R131-E136 IonicContact NE-OE1 3.59Å; R131-E136 PolarHBondContact NE-OE1 2.89Å; R131-E136 IonicContact NH2-OE1 2.87Å; R131-E136 PolarHBondContact NH2-OE1 3.14Å; K133-E136 HydrophobicContact CB-CG 3.92Å; K133-E136 PolarHBondContact O-N 3.34Å
137	N	88.4	Confident	91	Very high	88 Å²	88	66.6 Å²	66.6	47%	0.471	35%	0.348	S	S	.	.			trans	-61.2	143.4	168.1	-62.7	-40.6	0	0	0	109	F126 A127	F126-N137 WeakPolarHBondContact O-CB 3.38Å; F126-N137 PolarHBondContact O-ND2 3.04Å; A127-N137 CarbonylContact O-C 3.45Å
138	N	94.9	Very high	91	Very high	24 Å²	24	66.5 Å²	66.5	13%	0.128	35%	0.345	C	S	.	.			trans	-152.5	69.4	-178.1	-171.6	2.7	0	0	0	109.9	A127 W128 C129 R130 C140 H141 V142	A127-N138 PolarHBondContact O-N 3.29Å; W128-N138 PolarHBondContact O-OD1 3.44Å; C129-N138 WeakPolarHBondContact CA-OD1 3.09Å; R130-N138 HydrophobicContact CB-CB 4.11Å; R130-N138 WeakPolarHBondContact CB-ND2 3.43Å; N138-C140 PolarHBondContact O-N 3.45Å; N138-H141 PolarHBondContact O-N 2.91Å; N138-H141 PolarHBondContact O-ND1 3.26Å; N138-H141 WeakPolarHBondContact OD1-CA 3.32Å; N138-H141 PolarHBondContact OD1-N 2.82Å; N138-V142 PolarHBondContact ND2-N 3.44Å; N138-V142 PolarHBondContact ND2-O 3.43Å; N138-V142 VanDerWaalsContact ND2-O 3.1Å; N138-V142 PolarHBondContact OD1-N 3.33Å; N138-V142 PolarHBondContact OD1-O 3.37Å
139	H	97.2	Very high	90.8	Very high	79 Å²	79	67.8 Å²	67.8	37%	0.366	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.6	-178.2	-77.5	-117.5	0	0	0	111.7	A127 W128 H141 K161 E165	A127-H139 PolarHBondContact O-CD2 3.06Å; A127-H139 PolarHBondContact O-N 3.31Å; W128-H139 HydrophobicContact CD2-CB 4.44Å; W128-H139 HydrophobicContact CE3-CB 3.51Å; W128-H139 HydrophobicContact CZ3-CB 3.7Å; H139-H141 VanDerWaalsContact C-N 3.32Å; H139-K161 WeakPolarHBondContact O-CD 3.43Å; H139-K161 WeakPolarHBondContact O-CE 3.2Å; H139-K161 PolarHBondContact O-NZ 2.98Å; H139-E165 IonicContact CE1-OE2 3.29Å; H139-E165 IonicContact CG-OE2 3.89Å; H139-E165 IonicContact ND1-OE2 2.95Å; H139-E165 PolarHBondContact ND1-OE2 3.48Å
140	C	97.7	Very high	90.6	Very high	22 Å²	22	70.6 Å²	70.6	15%	0.149	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.1	178.2	-64.1	0	0	0	0	114.3	W128 N138 V142 C158	W128-C140 VanDerWaalsContact O-CB 3.22Å; W128-C140 WeakPolarHBondContact O-CB 3.5Å; W128-C140 PolarHBondContact O-N 3.07Å; N138-C140 PolarHBondContact O-N 3.45Å; C140-V142 HydrophobicContact CB-CB 4.42Å; C140-V142 HydrophobicContact CB-CG1 3.7Å; C140-V142 PolarHBondContact O-N 3.48Å; C140-C158 HydrophobicContact CB-CB 3.66Å; C140-C158 WeakPolarHBondContact CB-SG 3.46Å; C140-C158 WeakPolarHBondContact SG-CA 3.47Å; C140-C158 WeakPolarHBondContact SG-CB 3.4Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 3.24Å
141	H	95.8	Very high	90.6	Very high	156 Å²	156	70.4 Å²	70.4	72%	0.722	38%	0.376	S	S	*	.			trans	51.9	35.4	-176.8	-56	-62.9	0	0	0	113.8	N138 H139	N138-H141 PolarHBondContact O-N 2.91Å; N138-H141 PolarHBondContact O-ND1 3.26Å; N138-H141 WeakPolarHBondContact OD1-CA 3.32Å; N138-H141 PolarHBondContact OD1-N 2.82Å; H139-H141 VanDerWaalsContact C-N 3.32Å
142	V	96.2	Very high	90.9	Very high	17 Å²	17	65.3 Å²	65.3	10%	0.103	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153	-173.5	72.9	0	0	0	0	110.9	C129 R130 N138 C140 A146 L147 D154	C129-V142 HydrophobicContact CB-CG1 3.89Å; R130-V142 PolarHBondContact N-O 2.88Å; N138-V142 PolarHBondContact ND2-N 3.44Å; N138-V142 PolarHBondContact ND2-O 3.43Å; N138-V142 VanDerWaalsContact ND2-O 3.1Å; N138-V142 PolarHBondContact OD1-N 3.33Å; N138-V142 PolarHBondContact OD1-O 3.37Å; C140-V142 HydrophobicContact CB-CB 4.42Å; C140-V142 HydrophobicContact CB-CG1 3.7Å; C140-V142 PolarHBondContact O-N 3.48Å; V142-A146 HydrophobicContact CG2-CB 3.78Å; V142-L147 HydrophobicContact CG1-CD1 4.33Å; V142-L147 HydrophobicContact CG1-CD2 4.04Å; V142-L147 HydrophobicContact CG1-CG 4.3Å; V142-L147 HydrophobicContact CG2-CD2 4.38Å; V142-D154 HydrophobicContact CG2-CB 4.14Å
143	A	96.6	Very high	91.8	Very high	45 Å²	45	65.7 Å²	65.7	37%	0.372	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.2	167.9	0	0	0	0	0	109.5	R130 S145 A146	R130-A143 CarbonylContact O-C 3.56Å; R130-A143 VanDerWaalsContact O-CA 3.32Å; R130-A143 WeakPolarHBondContact O-CA 3.28Å; A143-S145 PolarHBondContact O-N 3.46Å; A143-S145 VanDerWaalsContact O-N 3.14Å; A143-A146 WeakPolarHBondContact O-CB 3.15Å; A143-A146 PolarHBondContact O-N 3.32Å
144	C	97.2	Very high	92.8	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.014	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.9	177.9	-59.6	0	0	0	0	112.3	Y118 C129 R130 R131 A146 L147	Y118-C144 HydrophobicContact CD1-CB 3.85Å; Y118-C144 HydrophobicContact CD2-CB 3.83Å; Y118-C144 HydrophobicContact CE1-CB 3.73Å; Y118-C144 HydrophobicContact CE2-CB 3.72Å; Y118-C144 HydrophobicContact CG-CB 3.91Å; C129-C144 HydrophobicContact CB-CB 3.98Å; C129-C144 WeakPolarHBondContact CB-SG 3.47Å; C129-C144 PolarHBondContact O-SG 2.9Å; C129-C144 VanDerWaalsContact O-SG 3.39Å; C129-C144 VanDerWaalsContact SG-CA 3.5Å; C129-C144 WeakPolarHBondContact SG-CB 3.17Å; C129-C144 CovalentContact SG-SG 2.04Å; C129-C144 PolarHBondContact SG-SG 2.96Å; R130-C144 VanDerWaalsContact C-SG 3.53Å; R130-C144 PolarHBondContact O-N 2.89Å; R131-C144 HydrophobicContact CG-CB 4.2Å; C144-A146 PolarHBondContact O-N 2.91Å; C144-L147 WeakPolarHBondContact O-CB 3.39Å; C144-L147 PolarHBondContact O-N 3.08Å
145	S	95.8	Very high	94.2	Very high	83 Å²	83	55 Å²	55	58%	0.58	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.2	-26.6	174.2	58.5	0	0	0	0	113.8	A143 L147 V148 T149	A143-S145 PolarHBondContact O-N 3.46Å; A143-S145 VanDerWaalsContact O-N 3.14Å; S145-L147 VanDerWaalsContact C-N 3.25Å; S145-L147 PolarHBondContact O-N 2.89Å; S145-V148 VanDerWaalsContact O-CG2 3.28Å; S145-V148 WeakPolarHBondContact O-CG2 3.22Å; S145-V148 PolarHBondContact O-N 3.01Å; S145-T149 WeakPolarHBondContact O-CG2 3.37Å
146	A	96.4	Very high	95.3	Very high	21 Å²	21	45.7 Å²	45.7	17%	0.174	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-76.4	-16.2	176.7	0	0	0	0	0	112.4	V142 A143 C144 V148 D154	V142-A146 HydrophobicContact CG2-CB 3.78Å; A143-A146 WeakPolarHBondContact O-CB 3.15Å; A143-A146 PolarHBondContact O-N 3.32Å; C144-A146 PolarHBondContact O-N 2.91Å; A146-V148 VanDerWaalsContact C-N 3.34Å; A146-D154 HydrophobicContact CB-CB 4.36Å
147	L	97.8	Very high	96.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-84	-12.3	176.5	-53.6	-177.2	0	0	0	112.8	G119 I123 C129 V142 C144 S145 D154 A155 C158	G119-L147 WeakPolarHBondContact CA-O 3.44Å; I123-L147 HydrophobicContact CB-CD1 3.88Å; I123-L147 HydrophobicContact CD1-CD1 4.23Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; I123-L147 HydrophobicContact CG2-CD1 3.72Å; C129-L147 HydrophobicContact CB-CD1 3.72Å; V142-L147 HydrophobicContact CG1-CD1 4.33Å; V142-L147 HydrophobicContact CG1-CD2 4.04Å; V142-L147 HydrophobicContact CG1-CG 4.3Å; V142-L147 HydrophobicContact CG2-CD2 4.38Å; C144-L147 WeakPolarHBondContact O-CB 3.39Å; C144-L147 PolarHBondContact O-N 3.08Å; S145-L147 VanDerWaalsContact C-N 3.25Å; S145-L147 PolarHBondContact O-N 2.89Å; L147-D154 HydrophobicContact CD2-CB 4.26Å; L147-A155 HydrophobicContact CD2-CB 4.33Å; L147-C158 HydrophobicContact CD2-CB 4.46Å
148	V	96.7	Very high	96.7	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.121	25%	0.253	C	S	.	.	S	Bend	trans	-110	48.1	179.6	-68.7	0	0	0	0	112	T105 Q108 Y118 S145 A146	T105-V148 VanDerWaalsContact O-CA 3.28Å; T105-V148 WeakPolarHBondContact O-CA 3.24Å; Q108-V148 HydrophobicContact CG-CG1 4.15Å; Y118-V148 HydrophobicContact CD1-CG1 3.89Å; S145-V148 VanDerWaalsContact O-CG2 3.28Å; S145-V148 WeakPolarHBondContact O-CG2 3.22Å; S145-V148 PolarHBondContact O-N 3.01Å; A146-V148 VanDerWaalsContact C-N 3.34Å
149	T	94.1	Very high	96.9	Very high	44 Å²	44	43.6 Å²	43.6	27%	0.27	25%	0.247	S	C	.	.	S	Bend	trans	-122.5	166.5	179.1	82.8	0	0	0	0	111.7	T105 S145 D151	T105-T149 WeakPolarHBondContact CB-O 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.37Å; T149-D151 PolarHBondContact O-N 3.26Å; T149-D151 PolarHBondContact OG1-N 3.31Å; T149-D151 PolarHBondContact OG1-O 2.59Å
150	D	91.7	Very high	96.9	Very high	58 Å²	58	42 Å²	42	31%	0.31	24%	0.239	S	C	.	.	S	Bend	trans	-64.8	-29	174	-107.7	29.8	0	0	0	113.7	K66 Y68	K66-D150 WeakPolarHBondContact CB-OD1 3.36Å; K66-D150 VanDerWaalsContact CD-OD1 3.24Å; K66-D150 WeakPolarHBondContact CD-OD1 3.45Å; K66-D150 WeakPolarHBondContact CD-OD2 3.19Å; K66-D150 IonicContact NZ-OD2 3.87Å; K66-D150 PolarHBondContact NZ-OD2 3.36Å; Y68-D150 PolarHBondContact OH-O 2.93Å
151	D	94.4	Very high	97	Very high	98 Å²	98	44 Å²	44	52%	0.524	25%	0.246	S	C	.	.			trans	-85.6	115.1	175.9	-173.6	-8.7	0	0	0	109.5	T149 T153	T149-D151 PolarHBondContact O-N 3.26Å; T149-D151 PolarHBondContact OG1-N 3.31Å; T149-D151 PolarHBondContact OG1-O 2.59Å; D151-T153 PolarHBondContact O-N 3.47Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.43Å; D151-T153 PolarHBondContact OD1-N 2.74Å; D151-T153 PolarHBondContact OD1-OG1 2.91Å
152	L	97.1	Very high	97.1	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	21%	0.211	C	C	.	.			trans	-82.3	1.7	-176.7	-59.6	-174.6	0	0	0	113.3	Y68 L73 I76 F77 T105 I120 D154 A155 I156	Y68-L152 HydrophobicContact CD2-CD1 4.47Å; Y68-L152 HydrophobicContact CE2-CD1 4.21Å; Y68-L152 HydrophobicContact CE2-CD2 4.43Å; Y68-L152 HydrophobicContact CE2-CG 4.34Å; L73-L152 HydrophobicContact CD1-CD1 3.5Å; L73-L152 VanDerWaalsContact CD1-CD1 3.5Å; I76-L152 HydrophobicContact CG2-CD1 4.25Å; F77-L152 HydrophobicContact CE1-CD1 4.04Å; T105-L152 HydrophobicContact CG2-CD2 3.61Å; I120-L152 HydrophobicContact CB-CD2 4.4Å; I120-L152 HydrophobicContact CD1-CD1 3.97Å; I120-L152 HydrophobicContact CD1-CD2 4.35Å; I120-L152 HydrophobicContact CG2-CD2 3.87Å; L152-D154 PolarHBondContact O-N 2.95Å; L152-A155 PolarHBondContact O-N 3.33Å; L152-I156 HydrophobicContact CB-CD1 3.77Å; L152-I156 HydrophobicContact CB-CG1 4.16Å; L152-I156 WeakPolarHBondContact O-CB 3.32Å; L152-I156 VanDerWaalsContact O-CG1 3.22Å; L152-I156 WeakPolarHBondContact O-CG1 3.37Å; L152-I156 PolarHBondContact O-N 3.47Å
153	T	97.9	Very high	97.2	Very high	71 Å²	71	35.8 Å²	35.8	44%	0.436	21%	0.206	S	C	.	.	H	α-helix	trans	-55.4	-54.1	-173	-62.4	0	0	0	0	112.3	D151 A155 I156 I157	D151-T153 PolarHBondContact O-N 3.47Å; D151-T153 VanDerWaalsContact OD1-CB 3.25Å; D151-T153 WeakPolarHBondContact OD1-CB 3.43Å; D151-T153 PolarHBondContact OD1-N 2.74Å; D151-T153 PolarHBondContact OD1-OG1 2.91Å; T153-A155 PolarHBondContact O-N 3.16Å; T153-I156 PolarHBondContact O-N 3.03Å; T153-I157 HydrophobicContact CG2-CD1 3.84Å; T153-I157 VanDerWaalsContact O-CG1 3.3Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.2Å
154	D	98.3	Very high	97.3	Very high	71 Å²	71	39.8 Å²	39.8	38%	0.38	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-40.7	-180	-74.6	-46.4	0	0	0	112.2	V142 A146 L147 L152 I157 C158	V142-D154 HydrophobicContact CG2-CB 4.14Å; A146-D154 HydrophobicContact CB-CB 4.36Å; L147-D154 HydrophobicContact CD2-CB 4.26Å; L152-D154 PolarHBondContact O-N 2.95Å; D154-I157 PolarHBondContact O-N 3.17Å; D154-C158 WeakPolarHBondContact O-CB 3.41Å; D154-C158 PolarHBondContact O-N 3.23Å
155	A	98.4	Very high	97.3	Very high	2 Å²	2	44 Å²	44	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-43	176.9	0	0	0	0	0	112	I120 F121 L147 L152 T153 C158 A159	I120-A155 HydrophobicContact CG2-CB 4.41Å; F121-A155 HydrophobicContact CD2-CB 3.85Å; F121-A155 WeakPolarHBondContact CD2-O 3.19Å; F121-A155 HydrophobicContact CE2-CB 4.01Å; L147-A155 HydrophobicContact CD2-CB 4.33Å; L152-A155 PolarHBondContact O-N 3.33Å; T153-A155 PolarHBondContact O-N 3.16Å; A155-C158 PolarHBondContact O-N 2.88Å; A155-A159 WeakPolarHBondContact O-CB 2.91Å; A155-A159 PolarHBondContact O-N 2.86Å
156	I	98.8	Very high	97.3	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-43	179.4	-70.4	167.2	0	0	0	110.9	I76 F77 A80 L82 F121 L152 T153 C158 A159 K160	I76-I156 HydrophobicContact CG2-CD1 4.14Å; F77-I156 HydrophobicContact CD1-CD1 4.04Å; F77-I156 HydrophobicContact CD1-CG1 4.48Å; F77-I156 HydrophobicContact CE1-CD1 4.2Å; F77-I156 HydrophobicContact CE1-CG1 4.32Å; A80-I156 HydrophobicContact CB-CD1 3.84Å; A80-I156 HydrophobicContact CB-CG2 4.02Å; L82-I156 HydrophobicContact CD1-CG1 4.31Å; L82-I156 HydrophobicContact CD1-CG2 4.08Å; L82-I156 HydrophobicContact CD2-CG2 4.11Å; L82-I156 HydrophobicContact CG-CG2 4.18Å; F121-I156 HydrophobicContact CE2-CB 4.48Å; F121-I156 HydrophobicContact CE2-CG1 3.82Å; F121-I156 HydrophobicContact CZ-CG1 4.02Å; L152-I156 HydrophobicContact CB-CD1 3.77Å; L152-I156 HydrophobicContact CB-CG1 4.16Å; L152-I156 WeakPolarHBondContact O-CB 3.32Å; L152-I156 VanDerWaalsContact O-CG1 3.22Å; L152-I156 WeakPolarHBondContact O-CG1 3.37Å; L152-I156 PolarHBondContact O-N 3.47Å; T153-I156 PolarHBondContact O-N 3.03Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.21Å; I156-A159 PolarHBondContact O-N 2.92Å; I156-K160 HydrophobicContact CG2-CD 4.43Å; I156-K160 WeakPolarHBondContact O-CB 3.39Å; I156-K160 WeakPolarHBondContact O-CG 3.19Å; I156-K160 PolarHBondContact O-N 3.07Å
157	I	98.8	Very high	97.2	Very high	104 Å²	104	49 Å²	49	53%	0.533	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-46	176.8	-70.3	167.6	0	0	0	110.1	T153 D154 K160 K161	T153-I157 HydrophobicContact CG2-CD1 3.84Å; T153-I157 VanDerWaalsContact O-CG1 3.3Å; T153-I157 WeakPolarHBondContact O-CG1 3.49Å; T153-I157 PolarHBondContact O-N 3.2Å; D154-I157 PolarHBondContact O-N 3.17Å; I157-K160 PolarHBondContact O-N 3.29Å; I157-K161 PolarHBondContact O-N 2.9Å; I157-K161 VanDerWaalsContact O-N 3.1Å
158	C	98.7	Very high	97.1	Very high	3 Å²	3	49 Å²	49	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-43.9	178.4	-173.3	0	0	0	0	111.8	I123 C140 L147 D154 A155 I156 K160 K161 I162	I123-C158 HydrophobicContact CD1-CB 3.95Å; C140-C158 HydrophobicContact CB-CB 3.66Å; C140-C158 WeakPolarHBondContact CB-SG 3.46Å; C140-C158 WeakPolarHBondContact SG-CA 3.47Å; C140-C158 WeakPolarHBondContact SG-CB 3.4Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 3.24Å; L147-C158 HydrophobicContact CD2-CB 4.46Å; D154-C158 WeakPolarHBondContact O-CB 3.41Å; D154-C158 PolarHBondContact O-N 3.23Å; A155-C158 PolarHBondContact O-N 2.88Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.21Å; C158-K160 VanDerWaalsContact C-N 3.34Å; C158-K160 PolarHBondContact O-N 3.49Å; C158-K161 WeakPolarHBondContact O-CA 3.25Å; C158-K161 WeakPolarHBondContact O-CB 3.06Å; C158-K161 PolarHBondContact O-N 3.45Å; C158-I162 WeakPolarHBondContact O-CG1 3.3Å; C158-I162 PolarHBondContact O-N 3.31Å
159	A	98.8	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-37.7	177.5	0	0	0	0	0	113	W93 F121 A155 I156 K161 I162 V163 W172	W93-A159 HydrophobicContact CZ3-CB 3.93Å; F121-A159 HydrophobicContact CD2-CB 3.72Å; F121-A159 HydrophobicContact CE2-CB 3.96Å; F121-A159 HydrophobicContact CG-CB 4.22Å; A155-A159 WeakPolarHBondContact O-CB 2.91Å; A155-A159 PolarHBondContact O-N 2.86Å; I156-A159 PolarHBondContact O-N 2.92Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.2Å; A159-I162 PolarHBondContact O-N 3.12Å; A159-V163 PolarHBondContact O-N 2.94Å; A159-W172 HydrophobicContact CB-CH2 4.18Å; A159-W172 HydrophobicContact CB-CZ2 3.98Å
160	K	98.8	Very high	97.2	Very high	45 Å²	45	49.7 Å²	49.7	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-43.5	170.8	-79.8	-177.1	168.2	-174.5	0	111.8	A80 G81 L82 Y85 I156 I157 C158 V163 K164	A80-K160 PolarHBondContact O-NZ 3.14Å; G81-K160 WeakPolarHBondContact O-CE 3.17Å; G81-K160 PolarHBondContact O-NZ 3.07Å; L82-K160 HydrophobicContact CD2-CD 4.21Å; L82-K160 HydrophobicContact CD2-CG 3.79Å; Y85-K160 HydrophobicContact CD1-CG 4.12Å; Y85-K160 HydrophobicContact CD2-CD 4.13Å; Y85-K160 HydrophobicContact CD2-CG 4.28Å; Y85-K160 HydrophobicContact CE1-CB 3.85Å; Y85-K160 HydrophobicContact CE1-CG 3.77Å; Y85-K160 HydrophobicContact CE2-CB 4.32Å; Y85-K160 HydrophobicContact CE2-CD 3.82Å; Y85-K160 HydrophobicContact CE2-CG 3.95Å; Y85-K160 HydrophobicContact CG-CG 4.35Å; Y85-K160 PolarHBondContact OH-O 3.46Å; I156-K160 HydrophobicContact CG2-CD 4.43Å; I156-K160 WeakPolarHBondContact O-CB 3.39Å; I156-K160 WeakPolarHBondContact O-CG 3.19Å; I156-K160 PolarHBondContact O-N 3.07Å; I157-K160 PolarHBondContact O-N 3.29Å; C158-K160 VanDerWaalsContact C-N 3.34Å; C158-K160 PolarHBondContact O-N 3.49Å; K160-V163 PolarHBondContact O-N 2.63Å; K160-K164 PolarHBondContact O-N 2.93Å; K160-K164 VanDerWaalsContact O-N 3.14Å
161	K	98.6	Very high	97.5	Very high	65 Å²	65	49.7 Å²	49.7	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-44.2	176.8	-174.8	167.7	-174.8	160.4	0	111.7	H139 I157 C158 A159 K164 E165	H139-K161 WeakPolarHBondContact O-CD 3.43Å; H139-K161 WeakPolarHBondContact O-CE 3.2Å; H139-K161 PolarHBondContact O-NZ 2.98Å; I157-K161 PolarHBondContact O-N 2.9Å; I157-K161 VanDerWaalsContact O-N 3.1Å; C158-K161 WeakPolarHBondContact O-CA 3.25Å; C158-K161 WeakPolarHBondContact O-CB 3.06Å; C158-K161 PolarHBondContact O-N 3.45Å; A159-K161 VanDerWaalsContact C-N 3.32Å; A159-K161 PolarHBondContact O-N 3.2Å; K161-K164 PolarHBondContact O-N 3.39Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 HydrophobicContact CG-CG 4.44Å; K161-E165 IonicContact NZ-OE1 2.98Å; K161-E165 PolarHBondContact O-N 2.97Å
162	I	98.6	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-56.3	175.5	-66.7	170.8	0	0	0	110.1	I123 W128 C158 A159 K164 E165 T166 Y171 W172	I123-I162 HydrophobicContact CD1-CD1 4.36Å; I123-I162 HydrophobicContact CG1-CD1 3.92Å; I123-I162 HydrophobicContact CG2-CD1 4.18Å; W128-I162 HydrophobicContact CD2-CD1 3.85Å; W128-I162 HydrophobicContact CD2-CG1 3.49Å; W128-I162 VanDerWaalsContact CD2-CG1 3.49Å; W128-I162 HydrophobicContact CE3-CD1 4.26Å; W128-I162 HydrophobicContact CE3-CG1 3.49Å; W128-I162 VanDerWaalsContact CE3-CG1 3.49Å; W128-I162 HydrophobicContact CG-CD1 3.98Å; W128-I162 HydrophobicContact CG-CG1 4.17Å; W128-I162 HydrophobicContact CH2-CB 4.17Å; W128-I162 HydrophobicContact CH2-CG1 3.78Å; W128-I162 HydrophobicContact CH2-CG2 4.35Å; W128-I162 HydrophobicContact CZ2-CB 4.24Å; W128-I162 HydrophobicContact CZ2-CG1 3.74Å; W128-I162 HydrophobicContact CZ2-CG2 4.02Å; W128-I162 HydrophobicContact CZ3-CB 4.37Å; W128-I162 HydrophobicContact CZ3-CG1 3.64Å; C158-I162 WeakPolarHBondContact O-CG1 3.3Å; C158-I162 PolarHBondContact O-N 3.31Å; A159-I162 PolarHBondContact O-N 3.12Å; I162-K164 PolarHBondContact O-N 2.03Å; I162-K164 VanDerWaalsContact O-N 3.15Å; I162-E165 PolarHBondContact O-N 2.99Å; I162-T166 HydrophobicContact CG2-CG2 4.19Å; I162-T166 PolarHBondContact O-N 2.98Å; I162-T166 PolarHBondContact O-OG1 2.97Å; I162-Y171 HydrophobicContact CD1-CD1 4.25Å; I162-Y171 HydrophobicContact CD1-CE1 3.93Å; I162-Y171 HydrophobicContact CG2-CD1 3.55Å; I162-Y171 HydrophobicContact CG2-CD2 4.33Å; I162-Y171 HydrophobicContact CG2-CE1 4.26Å; I162-Y171 HydrophobicContact CG2-CG 3.58Å; I162-W172 HydrophobicContact CB-CH2 3.77Å; I162-W172 HydrophobicContact CB-CZ2 4.25Å; I162-W172 HydrophobicContact CD1-CH2 4.46Å; I162-W172 HydrophobicContact CD1-CZ2 4.06Å; I162-W172 HydrophobicContact CG2-CH2 3.51Å; I162-W172 HydrophobicContact CG2-CZ2 4.01Å; I162-W172 HydrophobicContact CG2-CZ3 3.91Å
163	V	98.4	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54	-40.8	-180	168.3	0	0	0	0	112.2	Y85 W86 F88 W93 A159 K160 Q167 G168 M169 W172	Y85-V163 HydrophobicContact CD1-CG1 4.44Å; Y85-V163 HydrophobicContact CE1-CB 4.36Å; Y85-V163 HydrophobicContact CE1-CG1 4.29Å; W86-V163 HydrophobicContact CB-CG1 3.62Å; W86-V163 HydrophobicContact CD2-CG1 4.41Å; W86-V163 HydrophobicContact CG-CG1 3.92Å; F88-V163 HydrophobicContact CD2-CG1 4.23Å; F88-V163 HydrophobicContact CE2-CG1 4.15Å; W93-V163 HydrophobicContact CH2-CB 4.35Å; W93-V163 HydrophobicContact CH2-CG2 3.47Å; W93-V163 VanDerWaalsContact CH2-CG2 3.47Å; W93-V163 HydrophobicContact CZ2-CG2 3.99Å; W93-V163 HydrophobicContact CZ3-CG2 4.32Å; A159-V163 PolarHBondContact O-N 2.94Å; K160-V163 PolarHBondContact O-N 2.63Å; V163-Q167 CarbonylContact O-C 3.6Å; V163-Q167 WeakPolarHBondContact O-CA 3.08Å; V163-Q167 PolarHBondContact O-N 3.29Å; V163-Q167 VanDerWaalsContact O-N 3.07Å; V163-G168 PolarHBondContact O-N 2.04Å; V163-M169 HydrophobicContact CG2-CG 3.96Å; V163-W172 HydrophobicContact CG2-CH2 3.86Å; V163-W172 HydrophobicContact CG2-CZ3 3.52Å
164	K	97.9	Very high	97.7	Very high	129 Å²	129	47.8 Å²	47.8	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-66	-45.7	178.2	-177	178.9	179.7	-176.4	0	112.3	W86 K160 K161 I162	W86-K164 HydrophobicContact CZ2-CB 4.29Å; W86-K164 HydrophobicContact CZ2-CG 3.78Å; K160-K164 PolarHBondContact O-N 2.93Å; K160-K164 VanDerWaalsContact O-N 3.14Å; K161-K164 PolarHBondContact O-N 3.39Å; I162-K164 PolarHBondContact O-N 2.03Å; I162-K164 VanDerWaalsContact O-N 3.15Å
165	E	97.5	Very high	97.7	Very high	89 Å²	89	44.9 Å²	44.9	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-77.2	-33	-176.7	-71.6	-171.4	-169.8	0	0	112.8	W128 H139 K161 I162 Q167	W128-E165 HydrophobicContact CH2-CB 4.1Å; H139-E165 IonicContact CE1-OE2 3.29Å; H139-E165 IonicContact CG-OE2 3.89Å; H139-E165 IonicContact ND1-OE2 2.95Å; H139-E165 PolarHBondContact ND1-OE2 3.48Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 HydrophobicContact CG-CG 4.44Å; K161-E165 IonicContact NZ-OE1 2.98Å; K161-E165 PolarHBondContact O-N 2.97Å; I162-E165 PolarHBondContact O-N 2.99Å; E165-Q167 VanDerWaalsContact C-N 3.33Å
166	T	95.9	Very high	97.7	Very high	50 Å²	50	49.5 Å²	49.5	31%	0.307	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.7	177.5	63.9	0	0	0	0	113.3	W128 I162 G168	W128-T166 HydrophobicContact CH2-CG2 4.3Å; W128-T166 HydrophobicContact CZ2-CG2 4.04Å; I162-T166 HydrophobicContact CG2-CG2 4.19Å; I162-T166 PolarHBondContact O-N 2.98Å; I162-T166 PolarHBondContact O-OG1 2.97Å; T166-G168 PolarHBondContact O-N 2.94Å; T166-G168 PolarHBondContact OG1-O 3.46Å
167	Q	94.4	Very high	97.7	Very high	160 Å²	160	56.1 Å²	56.1	75%	0.748	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.4	179.5	-58.7	-177.4	-25.6	0	0	113.4	V163 E165	V163-Q167 CarbonylContact O-C 3.6Å; V163-Q167 WeakPolarHBondContact O-CA 3.08Å; V163-Q167 PolarHBondContact O-N 3.29Å; V163-Q167 VanDerWaalsContact O-N 3.07Å; E165-Q167 VanDerWaalsContact C-N 3.33Å
168	G	95.9	Very high	97.7	Very high	3 Å²	3	54 Å²	54	3%	0.031	25%	0.252	C	S	.	.	S	Bend	trans	142	-172.3	179.7	0	0	0	0	0	113.7	V163 T166 N170	V163-G168 PolarHBondContact O-N 2.04Å; T166-G168 PolarHBondContact O-N 2.94Å; T166-G168 PolarHBondContact OG1-O 3.46Å; G168-N170 VanDerWaalsContact C-N 3.32Å; G168-N170 PolarHBondContact O-N 3.37Å
169	M	97.6	Very high	97.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	25%	0.251	C	S	.	.	S	Bend	trans	-89.1	9.5	-176.4	-62.2	-172.4	100.1	0	0	114.2	F88 N92 W93 M96 V163 Y171 W172 W175	F88-M169 HydrophobicContact CB-SD 4.03Å; F88-M169 HydrophobicContact CD1-CG 3.82Å; F88-M169 HydrophobicContact CD1-SD 3.53Å; F88-M169 VanDerWaalsContact CD1-SD 3.53Å; F88-M169 HydrophobicContact CD2-CG 4.06Å; F88-M169 HydrophobicContact CD2-SD 4.35Å; F88-M169 HydrophobicContact CE1-CB 4.19Å; F88-M169 HydrophobicContact CE1-CG 3.8Å; F88-M169 HydrophobicContact CE1-SD 4.07Å; F88-M169 HydrophobicContact CE2-CG 4.05Å; F88-M169 HydrophobicContact CG-CG 3.96Å; F88-M169 HydrophobicContact CG-SD 3.69Å; F88-M169 HydrophobicContact CZ-CB 4.35Å; F88-M169 HydrophobicContact CZ-CG 3.92Å; N92-M169 HydrophobicContact CB-CE 4.49Å; N92-M169 HydrophobicContact CB-SD 3.73Å; W93-M169 HydrophobicContact CD2-CE 3.71Å; W93-M169 HydrophobicContact CE3-CE 3.65Å; W93-M169 HydrophobicContact CG-CE 4.29Å; W93-M169 HydrophobicContact CH2-CE 4.22Å; W93-M169 HydrophobicContact CZ2-CE 4.24Å; W93-M169 HydrophobicContact CZ3-CE 3.92Å; M96-M169 HydrophobicContact CB-CE 4.16Å; M96-M169 HydrophobicContact CE-CE 3.97Å; M96-M169 HydrophobicContact CG-CE 4.38Å; V163-M169 HydrophobicContact CG2-CG 3.96Å; M169-Y171 PolarHBondContact O-N 2.71Å; M169-W172 HydrophobicContact CB-CE3 4.02Å; M169-W172 HydrophobicContact CB-CZ3 4.36Å; M169-W172 HydrophobicContact CG-CE3 4.38Å; M169-W172 HydrophobicContact CG-CZ3 4.32Å; M169-W172 PolarHBondContact O-N 3.27Å; M169-W175 HydrophobicContact CB-CD2 3.46Å; M169-W175 VanDerWaalsContact CB-CD2 3.46Å; M169-W175 HydrophobicContact CB-CE3 3.51Å; M169-W175 HydrophobicContact CB-CG 4.04Å; M169-W175 HydrophobicContact CB-CH2 4.04Å; M169-W175 HydrophobicContact CB-CZ2 3.98Å; M169-W175 HydrophobicContact CB-CZ3 3.82Å; M169-W175 HydrophobicContact CG-CD2 4.49Å; M169-W175 HydrophobicContact SD-CD2 4.4Å; M169-W175 HydrophobicContact SD-CG 4.43Å; M169-W175 HydrophobicContact SD-CZ2 4.47Å
170	N	95.5	Very high	97.6	Very high	77 Å²	77	58 Å²	58	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.1	-179.1	-76.7	-34.3	0	0	0	114.9	G168 W172 Q173	G168-N170 VanDerWaalsContact C-N 3.32Å; G168-N170 PolarHBondContact O-N 3.37Å; N170-W172 VanDerWaalsContact C-N 3.27Å; N170-W172 PolarHBondContact O-N 3.37Å; N170-Q173 PolarHBondContact O-NE2 2.9Å
171	Y	97.5	Very high	97.5	Very high	58 Å²	58	60 Å²	60	23%	0.227	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-40	170.6	173.9	-105	0	0	0	111.9	N124 W128 I162 M169 Q173	N124-Y171 WeakPolarHBondContact CB-OH 3.45Å; N124-Y171 PolarHBondContact N-OH 2.96Å; W128-Y171 AromaticContact CD1-CE2 3.89Å; W128-Y171 AromaticContact CD1-CZ 3.67Å; W128-Y171 AromaticContact NE1-CD2 3.86Å; W128-Y171 AromaticContact NE1-CE2 3.17Å; W128-Y171 AromaticContact NE1-CZ 3.38Å; I162-Y171 HydrophobicContact CD1-CD1 4.25Å; I162-Y171 HydrophobicContact CD1-CE1 3.93Å; I162-Y171 HydrophobicContact CG2-CD1 3.55Å; I162-Y171 HydrophobicContact CG2-CD2 4.33Å; I162-Y171 HydrophobicContact CG2-CE1 4.26Å; I162-Y171 HydrophobicContact CG2-CG 3.58Å; M169-Y171 PolarHBondContact O-N 2.71Å; Y171-Q173 PolarHBondContact O-N 3.06Å
172	W	98.4	Very high	97.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	32%	0.319	C	S	.	.			trans	-88.4	107.3	-176.7	-68.5	-74.4	0	0	0	111.4	M96 E100 F121 A159 I162 V163 M169 N170 G174 W175 K176	M96-W172 HydrophobicContact CE-CD2 4.06Å; M96-W172 HydrophobicContact CE-CE3 4.49Å; M96-W172 HydrophobicContact CE-CZ2 4.08Å; M96-W172 HydrophobicContact CG-CB 3.83Å; M96-W172 HydrophobicContact CG-CD2 4Å; M96-W172 HydrophobicContact CG-CG 3.66Å; M96-W172 HydrophobicContact SD-CD2 4.04Å; M96-W172 HydrophobicContact SD-CG 3.89Å; E100-W172 HydrophobicContact CG-CB 4.4Å; E100-W172 HydrophobicContact CG-CG 4.33Å; E100-W172 WeakPolarHBondContact OE1-CA 3.45Å; E100-W172 VanDerWaalsContact OE1-CB 3.27Å; E100-W172 WeakPolarHBondContact OE1-CB 3.29Å; F121-W172 PolarHBondContact O-NE1 3.37Å; A159-W172 HydrophobicContact CB-CH2 4.18Å; A159-W172 HydrophobicContact CB-CZ2 3.98Å; I162-W172 HydrophobicContact CB-CH2 3.77Å; I162-W172 HydrophobicContact CB-CZ2 4.25Å; I162-W172 HydrophobicContact CD1-CH2 4.46Å; I162-W172 HydrophobicContact CD1-CZ2 4.06Å; I162-W172 HydrophobicContact CG2-CH2 3.51Å; I162-W172 HydrophobicContact CG2-CZ2 4.01Å; I162-W172 HydrophobicContact CG2-CZ3 3.91Å; V163-W172 HydrophobicContact CG2-CH2 3.86Å; V163-W172 HydrophobicContact CG2-CZ3 3.52Å; M169-W172 HydrophobicContact CB-CE3 4.02Å; M169-W172 HydrophobicContact CB-CZ3 4.36Å; M169-W172 HydrophobicContact CG-CE3 4.38Å; M169-W172 HydrophobicContact CG-CZ3 4.32Å; M169-W172 PolarHBondContact O-N 3.27Å; N170-W172 VanDerWaalsContact C-N 3.27Å; N170-W172 PolarHBondContact O-N 3.37Å; W172-G174 VanDerWaalsContact C-N 3.29Å; W172-G174 PolarHBondContact O-N 3.1Å; W172-W175 HydrophobicContact CB-CB 3.82Å; W172-W175 PolarHBondContact O-N 3.14Å; W172-K176 PolarHBondContact O-N 3.31Å
173	Q	97.6	Very high	97.4	Very high	122 Å²	122	70.5 Å²	70.5	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-67.1	-31.8	179.1	-62.5	-50.8	-51.8	0	0	112.2	E100 N170 Y171 K176 K177	E100-Q173 PolarHBondContact OE1-N 3.37Å; N170-Q173 PolarHBondContact O-NE2 2.9Å; Y171-Q173 PolarHBondContact O-N 3.06Å; Q173-K176 PolarHBondContact O-N 3.37Å; Q173-K177 WeakPolarHBondContact O-CB 3.36Å; Q173-K177 PolarHBondContact O-N 3.42Å
174	G	97.8	Very high	97.4	Very high	12 Å²	12	71 Å²	71	12%	0.124	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-45.9	173.3	0	0	0	0	0	111.2	E100 W172 H178	E100-G174 VanDerWaalsContact OE1-CA 3.3Å; E100-G174 WeakPolarHBondContact OE1-CA 3.01Å; E100-G174 PolarHBondContact OE1-N 3.04Å; W172-G174 VanDerWaalsContact C-N 3.29Å; W172-G174 PolarHBondContact O-N 3.1Å; G174-H178 WeakPolarHBondContact O-CB 3.07Å; G174-H178 PolarHBondContact O-CD2 3.25Å; G174-H178 PolarHBondContact O-N 2.95Å; G174-H178 VanDerWaalsContact O-N 3.09Å
175	W	98.6	Very high	97.2	Very high	10 Å²	10	67.6 Å²	67.6	4%	0.038	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-48.3	173.9	176.5	85.3	0	0	0	112.1	F88 N92 M96 M169 W172 K177 H178 C179 E180	F88-W175 HydrophobicContact CD1-CZ2 4.17Å; F88-W175 HydrophobicContact CE1-CH2 4.01Å; F88-W175 AromaticContact CE1-CZ2 3.7Å; F88-W175 HydrophobicContact CE1-CZ2 3.7Å; N92-W175 PolarHBondContact OD1-NE1 3.48Å; M96-W175 HydrophobicContact CB-CB 3.88Å; M96-W175 HydrophobicContact CB-CG 4.25Å; M96-W175 HydrophobicContact CG-CB 3.81Å; M169-W175 HydrophobicContact CB-CD2 3.46Å; M169-W175 VanDerWaalsContact CB-CD2 3.46Å; M169-W175 HydrophobicContact CB-CE3 3.51Å; M169-W175 HydrophobicContact CB-CG 4.04Å; M169-W175 HydrophobicContact CB-CH2 4.04Å; M169-W175 HydrophobicContact CB-CZ2 3.98Å; M169-W175 HydrophobicContact CB-CZ3 3.82Å; M169-W175 HydrophobicContact CG-CD2 4.49Å; M169-W175 HydrophobicContact SD-CD2 4.4Å; M169-W175 HydrophobicContact SD-CG 4.43Å; M169-W175 HydrophobicContact SD-CZ2 4.47Å; W172-W175 HydrophobicContact CB-CB 3.82Å; W172-W175 PolarHBondContact O-N 3.14Å; W175-K177 VanDerWaalsContact C-N 3.32Å; W175-K177 PolarHBondContact O-N 3.05Å; W175-H178 PolarHBondContact O-N 3.15Å; W175-C179 HydrophobicContact CB-CB 4.46Å; W175-C179 HydrophobicContact CG-CB 3.91Å; W175-C179 WeakPolarHBondContact O-CA 3.48Å; W175-C179 VanDerWaalsContact O-CB 3.23Å; W175-C179 WeakPolarHBondContact O-CB 3.43Å; W175-C179 PolarHBondContact O-N 2.81Å; W175-E180 HydrophobicContact CE3-CB 4.28Å; W175-E180 HydrophobicContact CH2-CB 3.73Å; W175-E180 HydrophobicContact CH2-CG 3.61Å; W175-E180 HydrophobicContact CZ2-CB 4Å; W175-E180 HydrophobicContact CZ2-CG 4.19Å; W175-E180 HydrophobicContact CZ3-CB 3.88Å; W175-E180 HydrophobicContact CZ3-CG 3.99Å; W175-E180 PolarHBondContact O-N 2.92Å
176	K	98.1	Very high	97.1	Very high	98 Å²	98	68.1 Å²	68.1	43%	0.426	35%	0.353	S	S	.	.	H	α-helix	trans	-57.6	-45	-178.1	-170.3	177.3	-177.5	177.3	0	112.2	W172 Q173 E180	W172-K176 PolarHBondContact O-N 3.31Å; Q173-K176 PolarHBondContact O-N 3.37Å; K176-E180 WeakPolarHBondContact CG-OE2 3.22Å
177	K	98.3	Very high	97.1	Very high	150 Å²	150	68.1 Å²	68.1	65%	0.652	35%	0.347	S	S	*	.	H	α-helix	trans	-75	-35.1	-176.8	-176	175.3	173.4	-173.3	0	113	Q173 W175	Q173-K177 WeakPolarHBondContact O-CB 3.36Å; Q173-K177 PolarHBondContact O-N 3.42Å; W175-K177 VanDerWaalsContact C-N 3.32Å; W175-K177 PolarHBondContact O-N 3.05Å
178	H	98.3	Very high	97.1	Very high	59 Å²	59	64.1 Å²	64.1	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-117.2	-13.4	-165.3	-62.9	-81	0	0	0	115.4	Y99 G174 W175 R182	Y99-H178 HydrophobicContact CD1-CB 3.71Å; Y99-H178 AromaticContact CD1-CD2 3.49Å; Y99-H178 VanDerWaalsContact CD1-CD2 3.49Å; Y99-H178 WeakPolarHBondContact CD1-CD2 3.38Å; Y99-H178 AromaticContact CD1-CG 3.43Å; Y99-H178 VanDerWaalsContact CD1-CG 3.43Å; Y99-H178 AromaticContact CD1-ND1 3.89Å; Y99-H178 HydrophobicContact CD2-CB 3.43Å; Y99-H178 VanDerWaalsContact CD2-CB 3.43Å; Y99-H178 HydrophobicContact CE1-CB 3.64Å; Y99-H178 AromaticContact CE1-CD2 3.86Å; Y99-H178 AromaticContact CE1-CE1 3.91Å; Y99-H178 AromaticContact CE1-CG 3.37Å; Y99-H178 AromaticContact CE1-ND1 3.41Å; Y99-H178 WeakPolarHBondContact CE1-ND1 3.41Å; Y99-H178 HydrophobicContact CE2-CB 3.35Å; Y99-H178 HydrophobicContact CG-CB 3.6Å; Y99-H178 AromaticContact CG-CD2 3.92Å; Y99-H178 AromaticContact CG-CG 3.82Å; Y99-H178 VanDerWaalsContact CZ-CB 3.45Å; Y99-H178 AromaticContact CZ-CG 3.71Å; Y99-H178 AromaticContact CZ-ND1 3.8Å; G174-H178 WeakPolarHBondContact O-CB 3.07Å; G174-H178 PolarHBondContact O-CD2 3.25Å; G174-H178 PolarHBondContact O-N 2.95Å; G174-H178 VanDerWaalsContact O-N 3.09Å; W175-H178 PolarHBondContact O-N 3.15Å; H178-R182 WeakPolarHBondContact O-CD 3.34Å; H178-R182 PolarHBondContact O-NE 3.21Å; H178-R182 VanDerWaalsContact O-NE 3.16Å
179	C	98.3	Very high	97	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-37.8	-172.3	-50.6	0	0	0	0	113	C95 W175 G181 R182 L184	C95-C179 HydrophobicContact CB-CB 3.87Å; C95-C179 WeakPolarHBondContact CB-SG 3.35Å; C95-C179 WeakPolarHBondContact SG-CB 3.42Å; C95-C179 CovalentContact SG-SG 2.03Å; C95-C179 PolarHBondContact SG-SG 2.84Å; W175-C179 HydrophobicContact CB-CB 4.46Å; W175-C179 HydrophobicContact CG-CB 3.91Å; W175-C179 WeakPolarHBondContact O-CA 3.48Å; W175-C179 VanDerWaalsContact O-CB 3.23Å; W175-C179 WeakPolarHBondContact O-CB 3.43Å; W175-C179 PolarHBondContact O-N 2.81Å; C179-G181 PolarHBondContact O-N 3.44Å; C179-R182 PolarHBondContact O-N 2.91Å; C179-L184 HydrophobicContact CB-CD1 4.14Å; C179-L184 HydrophobicContact CB-CD2 4.36Å
180	E	98	Very high	96.9	Very high	87 Å²	87	75.6 Å²	75.6	41%	0.407	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.4	-176.7	-174.9	173.8	-143.4	0	0	112.2	W175 K176 R182	W175-E180 HydrophobicContact CE3-CB 4.28Å; W175-E180 HydrophobicContact CH2-CB 3.73Å; W175-E180 HydrophobicContact CH2-CG 3.61Å; W175-E180 HydrophobicContact CZ2-CB 4Å; W175-E180 HydrophobicContact CZ2-CG 4.19Å; W175-E180 HydrophobicContact CZ3-CB 3.88Å; W175-E180 HydrophobicContact CZ3-CG 3.99Å; W175-E180 PolarHBondContact O-N 2.92Å; K176-E180 WeakPolarHBondContact CG-OE2 3.22Å; E180-R182 PolarHBondContact O-N 2.9Å
181	G	96.9	Very high	96.8	Very high	88 Å²	88	72.1 Å²	72.1	91%	0.907	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	6.2	176.1	0	0	0	0	0	115.8	C179	C179-G181 PolarHBondContact O-N 3.44Å
182	R	97.4	Very high	96.6	Very high	155 Å²	155	77.1 Å²	77.1	59%	0.585	39%	0.39	S	S	*	.	S	Bend	trans	-97.2	159	178.9	-58.5	-177.5	-169.2	-93.5	-0.6	111.6	H178 C179 E180 L184	H178-R182 WeakPolarHBondContact O-CD 3.34Å; H178-R182 PolarHBondContact O-NE 3.21Å; H178-R182 VanDerWaalsContact O-NE 3.16Å; C179-R182 PolarHBondContact O-N 2.91Å; E180-R182 PolarHBondContact O-N 2.9Å; R182-L184 HydrophobicContact CB-CD2 4.13Å; R182-L184 PolarHBondContact O-N 3.37Å
183	D	97.2	Very high	96	Very high	130 Å²	130	78.8 Å²	78.8	70%	0.695	40%	0.4	S	S	*	.			trans	-70.7	119.5	163.5	-176.1	6.7	0	0	0	109.1	S185	D183-S185 VanDerWaalsContact CG-OG 3.27Å; D183-S185 WeakPolarHBondContact OD1-CB 3.32Å; D183-S185 PolarHBondContact OD1-N 3.23Å; D183-S185 PolarHBondContact OD1-OG 3.1Å; D183-S185 PolarHBondContact OD2-OG 3.02Å
184	L	97.3	Very high	94.2	Very high	11 Å²	11	81.2 Å²	81.2	6%	0.058	43%	0.431	C	S	.	.			trans	-110.8	15.2	-179.4	-56	179	0	0	0	112.6	N92 C95 C179 R182 D186 W187	N92-L184 HydrophobicContact CB-CD1 4.18Å; N92-L184 WeakPolarHBondContact OD1-CD1 3.46Å; C95-L184 HydrophobicContact CB-CD1 4.3Å; C95-L184 HydrophobicContact CB-CD2 4.2Å; C179-L184 HydrophobicContact CB-CD1 4.14Å; C179-L184 HydrophobicContact CB-CD2 4.36Å; R182-L184 HydrophobicContact CB-CD2 4.13Å; R182-L184 PolarHBondContact O-N 3.37Å; L184-D186 VanDerWaalsContact C-N 3.28Å; L184-D186 PolarHBondContact O-N 3.01Å; L184-W187 WeakPolarHBondContact O-CB 3.36Å; L184-W187 PolarHBondContact O-N 3.28Å; L184-W187 VanDerWaalsContact O-N 3.17Å
185	S	94.9	Very high	94.1	Very high	57 Å²	57	84.7 Å²	84.7	40%	0.399	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-56.8	-40.5	178.7	60.8	0	0	0	0	112.5	D183 W187 K188 K189	D183-S185 VanDerWaalsContact CG-OG 3.27Å; D183-S185 WeakPolarHBondContact OD1-CB 3.32Å; D183-S185 PolarHBondContact OD1-N 3.23Å; D183-S185 PolarHBondContact OD1-OG 3.1Å; D183-S185 PolarHBondContact OD2-OG 3.02Å; S185-W187 PolarHBondContact O-N 3.2Å; S185-K188 PolarHBondContact O-N 3.01Å; S185-K189 PolarHBondContact O-N 3.43Å
186	D	95	Very high	93.8	Very high	101 Å²	101	88.6 Å²	88.6	54%	0.54	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-62.8	-25.2	179.4	-77.9	-27.8	0	0	0	113.6	R70 L184 K188 K189	R70-D186 PolarHBondContact NH1-O 2.98Å; L184-D186 VanDerWaalsContact C-N 3.28Å; L184-D186 PolarHBondContact O-N 3.01Å; D186-K188 PolarHBondContact O-N 3.33Å; D186-K189 WeakPolarHBondContact O-CB 3.3Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-K189 VanDerWaalsContact OD1-CD 3.27Å; D186-K189 WeakPolarHBondContact OD1-CD 3.07Å; D186-K189 IonicContact OD1-NZ 3.78Å
187	W	96.4	Very high	93.6	Very high	50 Å²	50	88.1 Å²	88.1	19%	0.189	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26.9	-179.3	-72.4	90.6	0	0	0	113.3	R70 I94 C95 Y98 Y99 Y103 L184 S185	R70-W187 WeakPolarHBondContact CD-O 3.42Å; R70-W187 PolarHBondContact NH1-O 3.02Å; I94-W187 HydrophobicContact CB-CB 4.25Å; I94-W187 HydrophobicContact CG2-CB 4.22Å; I94-W187 HydrophobicContact CG2-CE3 3.79Å; C95-W187 HydrophobicContact CB-CD2 3.78Å; C95-W187 HydrophobicContact CB-CE3 4.34Å; C95-W187 HydrophobicContact CB-CG 4.13Å; C95-W187 HydrophobicContact CB-CH2 4.35Å; C95-W187 HydrophobicContact CB-CZ2 3.84Å; C95-W187 VanDerWaalsContact SG-CE2 3.54Å; C95-W187 WeakPolarHBondContact SG-CZ2 3.44Å; Y98-W187 AromaticContact CD1-CH2 3.71Å; Y98-W187 HydrophobicContact CD1-CH2 3.71Å; Y98-W187 HydrophobicContact CD1-CZ3 4.22Å; Y98-W187 HydrophobicContact CD2-CZ3 4.49Å; Y98-W187 HydrophobicContact CE1-CH2 4.48Å; Y98-W187 AromaticContact CG-CH2 3.85Å; Y98-W187 HydrophobicContact CG-CH2 3.85Å; Y98-W187 AromaticContact CG-CZ3 3.88Å; Y98-W187 HydrophobicContact CG-CZ3 3.88Å; Y99-W187 HydrophobicContact CD2-CH2 4.42Å; Y99-W187 AromaticContact CE2-CH2 3.93Å; Y99-W187 HydrophobicContact CE2-CH2 3.93Å; Y99-W187 AromaticContact CE2-CZ2 3.81Å; Y99-W187 HydrophobicContact CE2-CZ2 3.81Å; Y103-W187 VanDerWaalsContact OH-CZ3 3.3Å; Y103-W187 WeakPolarHBondContact OH-CZ3 3.39Å; L184-W187 WeakPolarHBondContact O-CB 3.36Å; L184-W187 PolarHBondContact O-N 3.28Å; L184-W187 VanDerWaalsContact O-N 3.17Å; S185-W187 PolarHBondContact O-N 3.2Å
188	K	94	Very high	93.3	Very high	76 Å²	76	84.5 Å²	84.5	33%	0.33	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-106.7	-0.2	174.7	70.3	174.5	-179	175.8	0	114.3	D83 L90 I94 S185 D186 C191 V193	D83-K188 IonicContact OD2-NZ 3.14Å; D83-K188 PolarHBondContact OD2-NZ 3.26Å; L90-K188 HydrophobicContact CB-CD 4.31Å; L90-K188 HydrophobicContact CD2-CB 4.34Å; L90-K188 HydrophobicContact CD2-CD 4.28Å; I94-K188 HydrophobicContact CD1-CB 4.16Å; S185-K188 PolarHBondContact O-N 3.01Å; D186-K188 PolarHBondContact O-N 3.33Å; K188-C191 WeakPolarHBondContact O-CB 3.37Å; K188-C191 PolarHBondContact O-N 2.95Å; K188-V193 HydrophobicContact CB-CG2 4.15Å; K188-V193 HydrophobicContact CD-CG2 4.24Å
189	K	94.8	Very high	93	Very high	112 Å²	112	86.1 Å²	86.1	49%	0.487	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	139	-179.5	-174.2	176.8	176.6	178.3	0	111.4	R70 S185 D186 C191	R70-K189 VanDerWaalsContact CZ-O 3.3Å; R70-K189 PolarHBondContact NH1-O 2.69Å; R70-K189 PolarHBondContact NH2-O 3.33Å; S185-K189 PolarHBondContact O-N 3.43Å; D186-K189 WeakPolarHBondContact O-CB 3.3Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-K189 VanDerWaalsContact OD1-CD 3.27Å; D186-K189 WeakPolarHBondContact OD1-CD 3.07Å; D186-K189 IonicContact OD1-NZ 3.78Å; K189-C191 PolarHBondContact O-N 3.09Å; K189-C191 VanDerWaalsContact O-N 3.12Å; K189-C191 PolarHBondContact O-SG 3.16Å
190	D	94.4	Very high	92.6	Very high	133 Å²	133	91.8 Å²	91.8	71%	0.711	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	17.5	180	-47.9	-37.2	0	0	0	115.2
191	C	94.3	Very high	92.3	Very high	3 Å²	3	92.1 Å²	92.1	2%	0.02	51%	0.509	C	S	.	.	S	Bend	trans	-96.2	0.6	179.6	-64	0	0	0	0	114.8	R70 C71 A74 K75 K188 K189 V193	R70-C191 VanDerWaalsContact CZ-SG 3.58Å; R70-C191 PolarHBondContact NH1-SG 3.18Å; C71-C191 WeakPolarHBondContact CA-SG 2.74Å; C71-C191 HydrophobicContact CB-CB 3.57Å; C71-C191 WeakPolarHBondContact CB-SG 3.32Å; C71-C191 WeakPolarHBondContact SG-CA 3.41Å; C71-C191 WeakPolarHBondContact SG-CB 3.49Å; C71-C191 CovalentContact SG-SG 2.06Å; C71-C191 PolarHBondContact SG-SG 3.29Å; A74-C191 HydrophobicContact CB-CB 4.02Å; K75-C191 WeakPolarHBondContact CE-O 3.37Å; K188-C191 WeakPolarHBondContact O-CB 3.37Å; K188-C191 PolarHBondContact O-N 2.95Å; K189-C191 PolarHBondContact O-N 3.09Å; K189-C191 VanDerWaalsContact O-N 3.12Å; K189-C191 PolarHBondContact O-SG 3.16Å; C191-V193 VanDerWaalsContact C-N 3.26Å; C191-V193 HydrophobicContact CB-CG1 4.23Å; C191-V193 PolarHBondContact O-N 3.31Å
192	E	92.4	Very high	91.9	Very high	164 Å²	164	92.5 Å²	92.5	77%	0.766	48%	0.478	S	S	*	.			trans	49	48.3	179.4	-54.3	169.1	163.1	0	0	112.3	K75	K75-E192 IonicContact NZ-OE2 3.64Å; K75-E192 PolarHBondContact NZ-OE2 2.99Å; K75-E192 VanDerWaalsContact NZ-OE2 3.14Å
193	V	85.8	Confident	91.5	Very high	37 Å²	37	87.3 Å²	87.3	22%	0.224	47%	0.469	C	S	.	.			trans	-92.6	113.7	175.3	-71.7	0	0	0	0	108.1	A74 K75 L90 K188 C191	A74-V193 HydrophobicContact CB-CG1 3.9Å; K75-V193 HydrophobicContact CG-CG1 3.96Å; L90-V193 HydrophobicContact CD2-CB 4.26Å; L90-V193 HydrophobicContact CD2-CG1 4.29Å; L90-V193 HydrophobicContact CD2-CG2 3.97Å; K188-V193 HydrophobicContact CB-CG2 4.15Å; K188-V193 HydrophobicContact CD-CG2 4.24Å; C191-V193 VanDerWaalsContact C-N 3.26Å; C191-V193 HydrophobicContact CB-CG1 4.23Å; C191-V193 PolarHBondContact O-N 3.31Å
194	S	60.8	Low	90.9	Very high	173 Å²	173	83.4 Å²	83.4	100%	1.21	45%	0.449	S	S	*	.			trans	-83.8	0	179.1	55.7	0	0	0	0	112

Retrieved 194 of 194 residues in 290.2 ms (Link to these results)

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