A0A3Q0KLS3_SCHMA Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB (A0A5K4ELS0), UniProt , Accession A0A3Q0KLS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 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	Very low	35	Very low	220 Å²	220	153.7 Å²	153.7	100%	1.084	82%	0.821	S	S	*	*				0	68.1	0	-73.2	-173.9	-66.2	0	0	106.5
2	D	36.2	Very low	34.4	Very low	144 Å²	144	155.9 Å²	155.9	77%	0.77	83%	0.831	S	S	*	*				53.7	128.5	121.7	-36.5	-23	0	0	0	115.7
3	E	36.1	Very low	34.1	Very low	175 Å²	175	154.6 Å²	154.6	82%	0.818	82%	0.824	S	S	*	*			cis	-165.9	125.9	5.4	-100.1	165.6	171.5	0	0	103.4
4	E	37.8	Very low	33.8	Very low	166 Å²	166	153.3 Å²	153.3	78%	0.776	82%	0.817	S	S	*	*				58.1	118.4	101.9	-78.8	-165.3	177.4	0	0	119
5	L	35.6	Very low	33.8	Very low	146 Å²	146	151.3 Å²	151.3	76%	0.764	82%	0.82	S	S	*	*			trans	65.6	125.5	132.8	-57.6	165	0	0	0	119.8
6	N	37	Very low	33.4	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	82%	0.823	S	S	*	*				173.9	142.3	78	-152.2	11.5	0	0	0	112.4
7	D	29.3	Very low	33.4	Very low	149 Å²	149	152.5 Å²	152.5	80%	0.797	82%	0.824	S	S	*	*			trans	-73.1	142.3	164.8	-89.1	-40.9	0	0	0	110.6
8	S	36.6	Very low	33.2	Very low	112 Å²	112	150 Å²	150	78%	0.783	82%	0.82	S	S	*	*			trans	-175.4	139.3	130.7	40.2	0	0	0	0	113.8
9	D	28.3	Very low	33	Very low	162 Å²	162	146.4 Å²	146.4	87%	0.866	82%	0.821	S	S	*	*			trans	-40	131.4	175.3	-65	-57.9	0	0	0	117.1
10	I	37.5	Very low	32.7	Very low	159 Å²	159	148.4 Å²	148.4	82%	0.815	82%	0.823	S	S	*	*			trans	-143	112.8	154.3	-63.2	-174.3	0	0	0	111.6
11	S	35	Very low	32.7	Very low	107 Å²	107	148.1 Å²	148.1	75%	0.748	82%	0.82	S	S	*	*			trans	58.5	110.4	147.8	72.4	0	0	0	0	122.4
12	L	27.3	Very low	32.4	Very low	180 Å²	180	144.1 Å²	144.1	94%	0.942	80%	0.803	S	S	*	*			trans	-69.3	119.7	142.5	-70.8	147.3	0	0	0	109.3
13	D	30.7	Very low	32	Very low	139 Å²	139	145.7 Å²	145.7	74%	0.743	81%	0.806	S	S	*	*				-175	148.3	128.4	-138.2	-11.4	0	0	0	113
14	D	30.1	Very low	31.7	Very low	136 Å²	136	145.5 Å²	145.5	73%	0.727	81%	0.81	S	S	*	*			trans	59.1	96.7	154.6	-71.6	-30	0	0	0	122.4
15	S	33.8	Very low	31.4	Very low	123 Å²	123	143.6 Å²	143.6	86%	0.86	81%	0.809	S	S	*	*				-171.1	82.1	122.2	37.6	0	0	0	0	111.4
16	V	27.6	Very low	31	Very low	144 Å²	144	143.1 Å²	143.1	87%	0.873	81%	0.808	S	S	*	*			trans	-96.7	105.2	161.4	175.2	0	0	0	0	107.2
17	H	33.7	Very low	30.6	Very low	179 Å²	179	143 Å²	143	83%	0.829	81%	0.806	S	S	*	*			trans	-138.6	109.6	162.9	-114.3	-54.1	0	0	0	111.3
18	S	29.4	Very low	30.4	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	80%	0.803	S	S	*	*			trans	59.6	118.2	141	59.1	0	0	0	0	120.3
19	G	30.1	Very low	30.1	Very low	81 Å²	81	145 Å²	145	84%	0.835	81%	0.808	S	S	*	*			trans	174.1	38.7	158.2	0	0	0	0	0	116.6
20	E	25.7	Very low	30.1	Very low	186 Å²	186	143 Å²	143	87%	0.869	80%	0.801	S	S	*	*			trans	-87.9	120.5	161.9	-71.6	179.3	159	0	0	108.7
21	N	32.3	Very low	29.6	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	79%	0.794	S	S	*	*			trans	173.1	118.5	132	-94.8	-7.9	0	0	0	111.7
22	D	29.6	Very low	29.2	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	80%	0.801	S	S	*	*				46.7	117.7	127.3	-66.5	-14.7	0	0	0	121
23	E	27.7	Very low	29.2	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	79%	0.788	S	S	*	*				32	96.1	128.9	-70.2	-170.8	145.7	0	0	117.6
24	L	30	Very low	29	Very low	171 Å²	171	141.6 Å²	141.6	90%	0.895	79%	0.786	S	S	*	*			trans	-144.3	96.3	139.8	-151.3	76.3	0	0	0	109.7	N26	L24-N26 PolarHBondContact O-N 3.39Å; L24-N26 VanDerWaalsContact O-N 3.1Å
25	V	31.9	Very low	29	Very low	126 Å²	126	141 Å²	141	76%	0.764	79%	0.787	S	S	*	*			trans	-60	113.8	168.5	-172.8	0	0	0	0	107.3	L27	V25-L27 PolarHBondContact O-N 3Å
26	N	27.5	Very low	28.7	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	79%	0.785	S	S	*	*			trans	-66.8	93.9	-177.7	-155.8	3.2	0	0	0	109.5	L24 L28	L24-N26 PolarHBondContact O-N 3.39Å; L24-N26 VanDerWaalsContact O-N 3.1Å; N26-L28 VanDerWaalsContact C-N 3.32Å
27	L	27.8	Very low	29	Very low	149 Å²	149	141.3 Å²	141.3	78%	0.78	78%	0.776	S	S	*	*			trans	-96	29.2	175.3	-95.1	166.9	0	0	0	112.2	V25	V25-L27 PolarHBondContact O-N 3Å
28	L	26.7	Very low	29.1	Very low	140 Å²	140	140.6 Å²	140.6	73%	0.733	77%	0.767	S	S	*	*			trans	-109.8	79.2	173.2	-73.9	162.4	0	0	0	108.6	N26	N26-L28 VanDerWaalsContact C-N 3.32Å
29	D	28.6	Very low	29.5	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	77%	0.773	S	S	*	*			trans	-175.5	61.6	154	-90.5	-24.7	0	0	0	108.8
30	V	28.8	Very low	30.1	Very low	119 Å²	119	146.5 Å²	146.5	72%	0.721	76%	0.76	S	S	*	*			trans	-95.2	115.4	155	-175.6	0	0	0	0	104.9	Y32	V30-Y32 PolarHBondContact O-N 3.39Å
31	P	27	Very low	31.1	Very low	103 Å²	103	145 Å²	145	67%	0.669	76%	0.759	S	S	*	*			trans	-56.1	131.3	177.6	-15.6	27.2	0	0	0	107.6	T33	P31-T33 PolarHBondContact O-N 3.46Å
32	Y	26.5	Very low	32.3	Very low	228 Å²	228	143.5 Å²	143.5	89%	0.894	76%	0.759	S	S	*	*			trans	-54.8	84	158.8	-110.6	-99.5	0	0	0	107	V30 T34	V30-Y32 PolarHBondContact O-N 3.39Å; Y32-T34 PolarHBondContact O-N 3.33Å
33	T	27.1	Very low	34.2	Very low	112 Å²	112	138.9 Å²	138.9	69%	0.687	73%	0.734	S	S	*	*			trans	-64.4	99.6	146.8	50.2	0	0	0	0	102.9	P31 T35	P31-T33 PolarHBondContact O-N 3.46Å; T33-T35 PolarHBondContact O-N 2.82Å
34	T	27	Very low	37	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	73%	0.728	S	S	*	*			trans	-37.1	93.5	142.6	42	0	0	0	0	106.4	Y32 E36	Y32-T34 PolarHBondContact O-N 3.33Å; T34-E36 PolarHBondContact O-N 3.21Å
35	T	29.6	Very low	40	Very low	122 Å²	122	133.4 Å²	133.4	75%	0.748	70%	0.701	S	S	*	*			trans	-49.9	99.6	141.9	35	0	0	0	0	102	T33 S37	T33-T35 PolarHBondContact O-N 2.82Å; T35-S37 PolarHBondContact O-N 3.49Å
36	E	29	Very low	43	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.822	68%	0.678	S	S	*	*			trans	-33.5	99.6	145.4	-69.8	173.7	160.9	0	0	103.4	T34 R38	T34-E36 PolarHBondContact O-N 3.21Å; E36-R38 PolarHBondContact O-N 2.89Å
37	S	32.7	Very low	46.2	Very low	98 Å²	98	125 Å²	125	69%	0.685	65%	0.649	S	S	*	*			trans	-49.9	107.3	162.3	43.9	0	0	0	0	100.9	T35 E39	T35-S37 PolarHBondContact O-N 3.49Å; S37-E39 VanDerWaalsContact C-N 3.25Å; S37-E39 PolarHBondContact O-N 2.98Å
38	R	35.5	Very low	49.4	Very low	165 Å²	165	118 Å²	118	62%	0.623	61%	0.613	S	S	*	*			trans	-44.9	113	164.5	-79.8	174.8	156.5	179.3	-4.9	102.3	E36 E40 D494	E36-R38 PolarHBondContact O-N 2.89Å; R38-E40 HydrophobicContact CB-CB 4.09Å; R38-E40 HydrophobicContact CB-CG 3.78Å; R38-E40 WeakPolarHBondContact CD-OE1 3.48Å; R38-E40 IonicContact NH1-OE1 2.64Å; R38-E40 PolarHBondContact NH1-OE1 3.48Å; R38-E40 PolarHBondContact O-N 3.4Å; R38-D494 IonicContact NH2-OD2 2.7Å
39	E	37.8	Very low	52.5	Low	190 Å²	190	115 Å²	115	89%	0.888	60%	0.595	S	S	*	*			trans	-63.3	68.9	154.4	-69.9	179.7	161.4	0	0	103.1	S37 D41	S37-E39 VanDerWaalsContact C-N 3.25Å; S37-E39 PolarHBondContact O-N 2.98Å; E39-D41 VanDerWaalsContact C-N 3.31Å; E39-D41 PolarHBondContact O-N 3.42Å
40	E	42.7	Very low	55.4	Low	123 Å²	123	108.1 Å²	108.1	58%	0.575	56%	0.559	S	S	*	*			trans	-67.1	101.9	177.2	-117.4	166.1	-152.1	0	0	101.2	R38 S42	R38-E40 HydrophobicContact CB-CB 4.09Å; R38-E40 HydrophobicContact CB-CG 3.78Å; R38-E40 WeakPolarHBondContact CD-OE1 3.48Å; R38-E40 IonicContact NH1-OE1 2.64Å; R38-E40 PolarHBondContact NH1-OE1 3.48Å; R38-E40 PolarHBondContact O-N 3.4Å; E40-S42 WeakPolarHBondContact O-CA 3.45Å; E40-S42 PolarHBondContact O-N 3Å
41	D	46.6	Very low	58.3	Low	155 Å²	155	107.2 Å²	107.2	83%	0.829	55%	0.55	S	S	*	*			trans	-17.6	88.5	171.8	-78.7	-42.4	0	0	0	109.5	E39 L43	E39-D41 VanDerWaalsContact C-N 3.31Å; E39-D41 PolarHBondContact O-N 3.42Å; D41-L43 PolarHBondContact O-N 3.05Å
42	S	57.7	Low	61.5	Low	110 Å²	110	106.4 Å²	106.4	77%	0.769	54%	0.537	S	S	*	.			trans	-74.3	95.5	-164.4	45.1	0	0	0	0	105	E40 E44	E40-S42 WeakPolarHBondContact O-CA 3.45Å; E40-S42 PolarHBondContact O-N 3Å; S42-E44 PolarHBondContact O-N 3.28Å
43	L	70.4	Confident	64.6	Low	40 Å²	40	95.6 Å²	95.6	21%	0.209	50%	0.495	C	S	.	.			trans	-54.4	120.2	-162.1	-151.9	109.8	0	0	0	108.9	D41 Y45 C231 Y238	D41-L43 PolarHBondContact O-N 3.05Å; L43-Y45 WeakPolarHBondContact O-CD1 3.5Å; L43-Y45 PolarHBondContact O-N 3.08Å; L43-Y45 VanDerWaalsContact O-N 3.14Å; L43-C231 HydrophobicContact CD2-CB 3.95Å; L43-Y238 HydrophobicContact CD1-CD1 4.11Å; L43-Y238 HydrophobicContact CD1-CD2 3.78Å; L43-Y238 HydrophobicContact CD1-CE1 3.67Å; L43-Y238 HydrophobicContact CD1-CE2 3.22Å; L43-Y238 HydrophobicContact CD1-CG 4.17Å; L43-Y238 WeakPolarHBondContact CD1-OH 3.42Å; L43-Y238 HydrophobicContact CD2-CD2 3.45Å; L43-Y238 VanDerWaalsContact CD2-CD2 3.45Å; L43-Y238 HydrophobicContact CD2-CE2 3.57Å; L43-Y238 HydrophobicContact CD2-CG 4.13Å; L43-Y238 HydrophobicContact CG-CD2 4.11Å; L43-Y238 HydrophobicContact CG-CE2 3.97Å
44	E	86.7	Confident	67.7	Low	149 Å²	149	91.9 Å²	91.9	70%	0.696	47%	0.474	S	S	*	.			trans	-67.7	120.6	-179.8	-68.2	-172.1	174.1	0	0	108.5	S42 F232	S42-E44 PolarHBondContact O-N 3.28Å; E44-F232 HydrophobicContact CB-CD2 3.94Å; E44-F232 VanDerWaalsContact O-CD2 3.27Å; E44-F232 WeakPolarHBondContact O-CD2 3.36Å; E44-F232 PolarHBondContact O-N 3.03Å
45	Y	93.1	Very high	70.8	Confident	85 Å²	85	91 Å²	91	33%	0.333	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.5	172.5	71.5	-93.3	0	0	0	110.8	L43 I47 V229 R230 C231 I240 T241	L43-Y45 WeakPolarHBondContact O-CD1 3.5Å; L43-Y45 PolarHBondContact O-N 3.08Å; L43-Y45 VanDerWaalsContact O-N 3.14Å; Y45-I47 HydrophobicContact CD2-CD1 4.02Å; Y45-I47 HydrophobicContact CE2-CD1 3.86Å; Y45-I47 HydrophobicContact CE2-CG1 4.37Å; Y45-V229 HydrophobicContact CD2-CG1 3.89Å; Y45-V229 HydrophobicContact CG-CG1 4.34Å; Y45-R230 CarbonylContact C-O 3.56Å; Y45-R230 WeakPolarHBondContact CA-O 3.44Å; Y45-R230 WeakPolarHBondContact CB-O 3.41Å; Y45-C231 VanDerWaalsContact CB-SG 3.56Å; Y45-I240 HydrophobicContact CD1-CD1 3.65Å; Y45-I240 HydrophobicContact CD2-CD1 4.15Å; Y45-I240 HydrophobicContact CD2-CG2 4.08Å; Y45-I240 HydrophobicContact CE1-CD1 4.03Å; Y45-I240 HydrophobicContact CE2-CD1 4.48Å; Y45-I240 HydrophobicContact CE2-CG2 3.84Å; Y45-I240 HydrophobicContact CG-CD1 3.72Å; Y45-T241 PolarHBondContact OH-N 3.03Å; Y45-T241 PolarHBondContact OH-O 3.44Å
46	E	94.6	Very high	73.9	Confident	61 Å²	61	87.6 Å²	87.6	29%	0.285	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.4	178.9	-176.1	-172.8	173.7	0	0	109.9	L48 V229 R230	E46-L48 HydrophobicContact CG-CD2 4.06Å; E46-L48 WeakPolarHBondContact OE1-CD2 3.09Å; E46-V229 CarbonylContact O-C 3.54Å; E46-V229 WeakPolarHBondContact O-CA 3.15Å; E46-R230 PolarHBondContact N-O 3.35Å; E46-R230 PolarHBondContact O-N 2.98Å; E46-R230 IonicContact OE2-CZ 2.76Å; E46-R230 IonicContact OE2-NE 2.72Å; E46-R230 PolarHBondContact OE2-NE 2.93Å; E46-R230 IonicContact OE2-NH2 3.7Å; E46-R230 PolarHBondContact OE2-NH2 3.42Å
47	I	94.7	Very high	77	Confident	23 Å²	23	79.7 Å²	79.7	12%	0.118	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.3	170.6	-52.4	-59	0	0	0	108.5	Y45 H227 V229 I240 T243	Y45-I47 HydrophobicContact CD2-CD1 4.02Å; Y45-I47 HydrophobicContact CE2-CD1 3.86Å; Y45-I47 HydrophobicContact CE2-CG1 4.37Å; I47-H227 HydrophobicContact CG2-CB 3.87Å; I47-V229 HydrophobicContact CD1-CB 4.29Å; I47-V229 HydrophobicContact CD1-CG1 4.16Å; I47-V229 HydrophobicContact CD1-CG2 3.33Å; I47-I240 HydrophobicContact CD1-CG2 4.29Å; I47-T243 HydrophobicContact CG1-CG2 4.29Å; I47-T243 WeakPolarHBondContact CG1-OG1 3.42Å
48	L	94.7	Very high	79.9	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.2	179.2	-60.2	179.4	0	0	0	110.8	E46 Q52 L53 L56 L217 H227 A228 R230	E46-L48 HydrophobicContact CG-CD2 4.06Å; E46-L48 WeakPolarHBondContact OE1-CD2 3.09Å; L48-Q52 HydrophobicContact CD2-CB 4.45Å; L48-L53 HydrophobicContact CD1-CD1 4.37Å; L48-L56 HydrophobicContact CD1-CD1 3.94Å; L48-L217 HydrophobicContact CD1-CD2 3.8Å; L48-H227 WeakPolarHBondContact O-CA 3.48Å; L48-H227 WeakPolarHBondContact O-CB 3.3Å; L48-H227 PolarHBondContact O-CD2 3.22Å; L48-A228 HydrophobicContact CB-CB 4.48Å; L48-A228 PolarHBondContact N-O 3.43Å; L48-A228 PolarHBondContact O-N 2.87Å; L48-A228 VanDerWaalsContact O-N 3.1Å; L48-R230 HydrophobicContact CD1-CB 4.02Å; L48-R230 HydrophobicContact CG-CB 4.28Å
49	H	92.2	Very high	82.6	Confident	78 Å²	78	72.1 Å²	72.1	36%	0.361	37%	0.369	S	S	.	.			trans	-65	146.4	166.8	-174.6	-85.7	0	0	0	110.1	N51 Q52 L53 H227	H49-N51 VanDerWaalsContact C-N 3.27Å; H49-N51 PolarHBondContact ND1-N 3.06Å; H49-N51 VanDerWaalsContact ND1-N 3.19Å; H49-N51 PolarHBondContact O-N 2.94Å; H49-N51 VanDerWaalsContact O-N 3.12Å; H49-Q52 HydrophobicContact CB-CG 4.42Å; H49-Q52 WeakPolarHBondContact O-CB 3.4Å; H49-Q52 PolarHBondContact O-N 3.05Å; H49-L53 PolarHBondContact O-N 3.07Å; H49-L53 VanDerWaalsContact O-N 3.16Å; H49-H227 AromaticContact CD2-CE1 3.99Å; H49-H227 AromaticContact CD2-NE2 3.46Å; H49-H227 PolarHBondContact CD2-NE2 3.21Å
50	P	89	Confident	85.3	Confident	18 Å²	18	65 Å²	65	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-39.9	-52.9	175.7	-32.5	30.7	0	0	0	114	Q52 L53 S54 H203 G226	P50-Q52 VanDerWaalsContact C-N 3.3Å; P50-Q52 PolarHBondContact O-N 3.47Å; P50-L53 WeakPolarHBondContact O-CA 3.39Å; P50-L53 WeakPolarHBondContact O-CB 3.47Å; P50-L53 PolarHBondContact O-N 3.3Å; P50-S54 PolarHBondContact O-N 2.89Å; P50-H203 VanDerWaalsContact C-CE1 3.48Å; P50-H203 VanDerWaalsContact CA-CE1 3.48Å; P50-H203 WeakPolarHBondContact CA-CE1 3.37Å; P50-H203 PolarHBondContact O-CE1 3.4Å; P50-H203 PolarHBondContact O-NE2 3.34Å; P50-G226 WeakPolarHBondContact CG-O 3.28Å
51	N	89.3	Confident	87.7	Confident	100 Å²	100	59.7 Å²	59.7	54%	0.535	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-36.8	179.4	-61	-8	0	0	0	114.1	H49 S54 Q55	H49-N51 VanDerWaalsContact C-N 3.27Å; H49-N51 PolarHBondContact ND1-N 3.06Å; H49-N51 VanDerWaalsContact ND1-N 3.19Å; H49-N51 PolarHBondContact O-N 2.94Å; H49-N51 VanDerWaalsContact O-N 3.12Å; N51-S54 PolarHBondContact O-N 3.07Å; N51-Q55 WeakPolarHBondContact O-CB 3.39Å; N51-Q55 PolarHBondContact O-N 2.62Å
52	Q	93.8	Very high	90	Very high	85 Å²	85	57 Å²	57	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-67.9	-40.1	176	-66.2	172.3	-69.5	0	0	110.7	L48 H49 P50 Q55 L56	L48-Q52 HydrophobicContact CD2-CB 4.45Å; H49-Q52 HydrophobicContact CB-CG 4.42Å; H49-Q52 WeakPolarHBondContact O-CB 3.4Å; H49-Q52 PolarHBondContact O-N 3.05Å; P50-Q52 VanDerWaalsContact C-N 3.3Å; P50-Q52 PolarHBondContact O-N 3.47Å; Q52-Q55 WeakPolarHBondContact O-CB 3.47Å; Q52-Q55 PolarHBondContact O-N 2.97Å; Q52-L56 WeakPolarHBondContact O-CG 3.39Å; Q52-L56 PolarHBondContact O-N 3.44Å
53	L	92.7	Very high	91.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-43	175.3	-173.1	68.8	0	0	0	111.7	L48 H49 P50 Q55 L56 M57 F210 V211 L217 W219 A228	L48-L53 HydrophobicContact CD1-CD1 4.37Å; H49-L53 PolarHBondContact O-N 3.07Å; H49-L53 VanDerWaalsContact O-N 3.16Å; P50-L53 WeakPolarHBondContact O-CA 3.39Å; P50-L53 WeakPolarHBondContact O-CB 3.47Å; P50-L53 PolarHBondContact O-N 3.3Å; L53-Q55 VanDerWaalsContact C-N 3.29Å; L53-Q55 PolarHBondContact O-N 3.23Å; L53-L56 PolarHBondContact O-N 3.16Å; L53-M57 WeakPolarHBondContact O-CG 3.48Å; L53-M57 PolarHBondContact O-N 3.5Å; L53-M57 VanDerWaalsContact O-N 3.13Å; L53-F210 HydrophobicContact CD1-CD1 3.74Å; L53-F210 HydrophobicContact CD1-CE1 3.78Å; L53-F210 HydrophobicContact CG-CD1 4.4Å; L53-V211 HydrophobicContact CD1-CG2 3.94Å; L53-V211 HydrophobicContact CD2-CG2 3.68Å; L53-V211 HydrophobicContact CG-CG2 4.39Å; L53-L217 HydrophobicContact CD1-CD1 3.96Å; L53-W219 HydrophobicContact CD2-CH2 3.34Å; L53-W219 HydrophobicContact CD2-CZ2 3.98Å; L53-W219 HydrophobicContact CD2-CZ3 3.84Å; L53-A228 HydrophobicContact CD1-CB 4.4Å; L53-A228 HydrophobicContact CD2-CB 4.07Å
54	S	91	Very high	92.8	Very high	34 Å²	34	54.3 Å²	54.3	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-39.2	172.1	-87	0	0	0	0	112.3	P50 N51 M57 S58 H203	P50-S54 PolarHBondContact O-N 2.89Å; N51-S54 PolarHBondContact O-N 3.07Å; S54-M57 PolarHBondContact O-N 3.11Å; S54-S58 WeakPolarHBondContact O-CB 3.45Å; S54-S58 PolarHBondContact O-N 3.38Å; S54-H203 PolarHBondContact OG-CD2 2.79Å; S54-H203 VanDerWaalsContact OG-CD2 3.24Å; S54-H203 PolarHBondContact OG-NE2 2.69Å
55	Q	92.9	Very high	93.1	Very high	94 Å²	94	50.4 Å²	50.4	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-47	177.6	-171.4	60.9	42.4	0	0	111.1	N51 Q52 L53 M57 S58 D59	N51-Q55 WeakPolarHBondContact O-CB 3.39Å; N51-Q55 PolarHBondContact O-N 2.62Å; Q52-Q55 WeakPolarHBondContact O-CB 3.47Å; Q52-Q55 PolarHBondContact O-N 2.97Å; L53-Q55 VanDerWaalsContact C-N 3.29Å; L53-Q55 PolarHBondContact O-N 3.23Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.3Å; Q55-S58 WeakPolarHBondContact O-CB 2.92Å; Q55-S58 PolarHBondContact O-N 2.87Å; Q55-D59 PolarHBondContact NE2-OD1 3.31Å; Q55-D59 PolarHBondContact O-N 2.94Å
56	L	94.2	Very high	93.1	Very high	52 Å²	52	54.2 Å²	54.2	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-57.4	-42.3	176.8	-67.6	172.9	0	0	0	112.3	L48 Q52 L53 I60 F210	L48-L56 HydrophobicContact CD1-CD1 3.94Å; Q52-L56 WeakPolarHBondContact O-CG 3.39Å; Q52-L56 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 3.16Å; L56-I60 PolarHBondContact O-N 3.09Å; L56-F210 HydrophobicContact CB-CE1 4.12Å; L56-F210 HydrophobicContact CB-CZ 4.22Å
57	M	94.5	Very high	92.9	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.044	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-41.7	174.9	-68.9	167.5	61.4	0	0	111.9	L53 S54 Q55 D59 I60 T61 R76 W84 I206 S207 F210	L53-M57 WeakPolarHBondContact O-CG 3.48Å; L53-M57 PolarHBondContact O-N 3.5Å; L53-M57 VanDerWaalsContact O-N 3.13Å; S54-M57 PolarHBondContact O-N 3.11Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.3Å; M57-D59 VanDerWaalsContact C-N 3.33Å; M57-I60 PolarHBondContact O-N 3.03Å; M57-T61 WeakPolarHBondContact O-CB 3.39Å; M57-T61 PolarHBondContact O-N 3.15Å; M57-T61 PolarHBondContact O-OG1 3.4Å; M57-R76 HydrophobicContact CE-CG 4.4Å; M57-W84 HydrophobicContact CB-CH2 4.01Å; M57-W84 HydrophobicContact CB-CZ3 4.15Å; M57-W84 HydrophobicContact CE-CH2 3.55Å; M57-W84 HydrophobicContact CE-CZ2 3.78Å; M57-W84 HydrophobicContact CG-CH2 3.9Å; M57-W84 HydrophobicContact CG-CZ3 4.19Å; M57-I206 VanDerWaalsContact CE-O 3.29Å; M57-I206 WeakPolarHBondContact CE-O 3.27Å; M57-S207 VanDerWaalsContact SD-CA 3.57Å; M57-S207 VanDerWaalsContact SD-CB 3.51Å; M57-S207 PolarHBondContact SD-OG 2.77Å; M57-F210 HydrophobicContact CE-CB 4.4Å; M57-F210 HydrophobicContact CG-CB 3.85Å; M57-F210 HydrophobicContact CG-CD1 3.42Å; M57-F210 VanDerWaalsContact CG-CD1 3.42Å; M57-F210 HydrophobicContact CG-CD2 4.13Å; M57-F210 HydrophobicContact CG-CE1 3.93Å; M57-F210 HydrophobicContact CG-CG 3.53Å; M57-F210 HydrophobicContact CG-CZ 4.47Å; M57-F210 HydrophobicContact SD-CB 3.94Å; M57-F210 HydrophobicContact SD-CD1 4.06Å; M57-F210 HydrophobicContact SD-CG 4.2Å
58	S	92.8	Very high	92.6	Very high	39 Å²	39	55.2 Å²	55.2	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-39.6	179.6	-169	0	0	0	0	111.4	S54 Q55 T61 K62	S54-S58 WeakPolarHBondContact O-CB 3.45Å; S54-S58 PolarHBondContact O-N 3.38Å; Q55-S58 WeakPolarHBondContact O-CB 2.92Å; Q55-S58 PolarHBondContact O-N 2.87Å; S58-T61 PolarHBondContact O-N 3.24Å; S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 VanDerWaalsContact O-CG 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.11Å; S58-K62 PolarHBondContact O-N 3.38Å; S58-K62 WeakPolarHBondContact OG-CE 3.39Å
59	D	94.2	Very high	92.3	Very high	66 Å²	66	63.7 Å²	63.7	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-48.3	179.3	-64.4	-23.3	0	0	0	110.5	Q55 M57 T61 K62 E63	Q55-D59 PolarHBondContact NE2-OD1 3.31Å; Q55-D59 PolarHBondContact O-N 2.94Å; M57-D59 VanDerWaalsContact C-N 3.33Å; D59-T61 PolarHBondContact O-N 2.75Å; D59-K62 PolarHBondContact O-N 3.36Å; D59-E63 WeakPolarHBondContact O-CG 3.3Å; D59-E63 PolarHBondContact O-N 3.01Å; D59-E63 VanDerWaalsContact O-N 3.09Å
60	I	94	Very high	92.2	Very high	41 Å²	41	60.1 Å²	60.1	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-44.6	174.9	-62.6	169.2	0	0	0	111.1	L56 M57 K62 E63 V64 L79 W84 F210	L56-I60 PolarHBondContact O-N 3.09Å; M57-I60 PolarHBondContact O-N 3.03Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.31Å; I60-E63 PolarHBondContact O-N 3.37Å; I60-V64 PolarHBondContact O-N 3.43Å; I60-L79 HydrophobicContact CG2-CD1 4.21Å; I60-W84 HydrophobicContact CG2-CE3 4.44Å; I60-F210 HydrophobicContact CD1-CE2 3.59Å; I60-F210 HydrophobicContact CD1-CZ 4.06Å
61	T	93.6	Very high	92.3	Very high	11 Å²	11	61.2 Å²	61.2	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-41.7	-178.6	-54.4	0	0	0	0	111	M57 S58 D59 V64 E65 P72 L75	M57-T61 WeakPolarHBondContact O-CB 3.39Å; M57-T61 PolarHBondContact O-N 3.15Å; M57-T61 PolarHBondContact O-OG1 3.4Å; S58-T61 PolarHBondContact O-N 3.24Å; D59-T61 PolarHBondContact O-N 2.75Å; T61-V64 PolarHBondContact O-N 3.28Å; T61-E65 WeakPolarHBondContact O-CB 3.48Å; T61-E65 PolarHBondContact O-N 2.76Å; T61-P72 HydrophobicContact CG2-CB 4.25Å; T61-L75 HydrophobicContact CG2-CB 3.81Å; T61-L75 HydrophobicContact CG2-CD1 4.34Å
62	K	93.4	Very high	92.5	Very high	98 Å²	98	59.4 Å²	59.4	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-37.7	178.5	-77.2	173.8	-178.4	173.5	0	112.9	S58 D59 I60 V64 E65 Q66	S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 VanDerWaalsContact O-CG 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.11Å; S58-K62 PolarHBondContact O-N 3.38Å; S58-K62 WeakPolarHBondContact OG-CE 3.39Å; D59-K62 PolarHBondContact O-N 3.36Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.31Å; K62-V64 VanDerWaalsContact C-N 3.29Å; K62-V64 PolarHBondContact O-N 3.2Å; K62-E65 PolarHBondContact O-N 3.05Å; K62-Q66 VanDerWaalsContact O-CG 3.31Å; K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 3Å; K62-Q66 VanDerWaalsContact O-N 3.08Å
63	E	93.5	Very high	92.4	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-43.5	174.3	-74.8	179.1	-161.9	0	0	111.3	D59 I60 K86	D59-E63 WeakPolarHBondContact O-CG 3.3Å; D59-E63 PolarHBondContact O-N 3.01Å; D59-E63 VanDerWaalsContact O-N 3.09Å; I60-E63 PolarHBondContact O-N 3.37Å; E63-K86 IonicContact OE2-NZ 2.62Å; E63-K86 PolarHBondContact OE2-NZ 2.76Å
64	V	94.2	Very high	92.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-40.7	177.2	178.7	0	0	0	0	111.3	I60 T61 K62 Q66 I67 I68 L75 L79 K86 L89 M90	I60-V64 PolarHBondContact O-N 3.43Å; T61-V64 PolarHBondContact O-N 3.28Å; K62-V64 VanDerWaalsContact C-N 3.29Å; K62-V64 PolarHBondContact O-N 3.2Å; V64-Q66 VanDerWaalsContact C-N 3.28Å; V64-Q66 PolarHBondContact O-N 3.17Å; V64-I67 PolarHBondContact O-N 2.99Å; V64-I68 HydrophobicContact CG1-CD1 4.25Å; V64-I68 PolarHBondContact O-N 3.23Å; V64-L75 HydrophobicContact CG1-CD2 3.78Å; V64-L79 HydrophobicContact CG2-CD2 4.34Å; V64-K86 HydrophobicContact CG2-CB 3.87Å; V64-L89 HydrophobicContact CG1-CD2 4.01Å; V64-M90 HydrophobicContact CG1-SD 3.88Å
65	E	93.5	Very high	92.6	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-36.4	179.6	-172.8	-179.7	-156.8	0	0	113.1	T61 K62 I67 I68 P72 L75	T61-E65 WeakPolarHBondContact O-CB 3.48Å; T61-E65 PolarHBondContact O-N 2.76Å; K62-E65 PolarHBondContact O-N 3.05Å; E65-I67 PolarHBondContact O-N 3.01Å; E65-I68 CarbonylContact C-O 3.54Å; E65-I68 WeakPolarHBondContact CA-O 3.36Å; E65-I68 CarbonylContact O-C 3.6Å; E65-I68 VanDerWaalsContact O-O 3.06Å; E65-P72 WeakPolarHBondContact OE1-CD 2.98Å; E65-P72 WeakPolarHBondContact OE1-CG 3.37Å; E65-L75 VanDerWaalsContact CA-CD1 3.44Å; E65-L75 HydrophobicContact CB-CD1 3.48Å; E65-L75 VanDerWaalsContact CB-CD1 3.48Å; E65-L75 HydrophobicContact CG-CD1 3.97Å
66	Q	91.4	Very high	92.6	Very high	165 Å²	165	50.3 Å²	50.3	77%	0.771	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	177	-75.3	173.6	15.9	0	0	113.1	K62 V64	K62-Q66 VanDerWaalsContact O-CG 3.31Å; K62-Q66 WeakPolarHBondContact O-CG 3.31Å; K62-Q66 PolarHBondContact O-N 3Å; K62-Q66 VanDerWaalsContact O-N 3.08Å; V64-Q66 VanDerWaalsContact C-N 3.28Å; V64-Q66 PolarHBondContact O-N 3.17Å
67	I	92.5	Very high	92.6	Very high	104 Å²	104	47.9 Å²	47.9	53%	0.533	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-43.8	-177.3	-48.8	168.9	0	0	0	110.5	V64 E65 M90 F94	V64-I67 PolarHBondContact O-N 2.99Å; E65-I67 PolarHBondContact O-N 3.01Å; I67-M90 HydrophobicContact CB-CE 3.5Å; I67-M90 HydrophobicContact CD1-CE 3.72Å; I67-M90 HydrophobicContact CG1-CE 4.2Å; I67-M90 HydrophobicContact CG2-CE 3.21Å; I67-F94 HydrophobicContact CG2-CE2 4.32Å; I67-F94 HydrophobicContact CG2-CZ 3.8Å
68	I	87.4	Confident	92.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-110	108.3	178.5	-56.7	177.1	0	0	0	108.2	V64 E65 I70 M90 Y93	V64-I68 HydrophobicContact CG1-CD1 4.25Å; V64-I68 PolarHBondContact O-N 3.23Å; E65-I68 CarbonylContact C-O 3.54Å; E65-I68 WeakPolarHBondContact CA-O 3.36Å; E65-I68 CarbonylContact O-C 3.6Å; E65-I68 VanDerWaalsContact O-O 3.06Å; I68-I70 HydrophobicContact CG2-CB 4.26Å; I68-I70 HydrophobicContact CG2-CD1 3.38Å; I68-I70 HydrophobicContact CG2-CG1 3.65Å; I68-I70 PolarHBondContact O-N 3.37Å; I68-M90 HydrophobicContact CD1-CE 3.95Å; I68-M90 HydrophobicContact CD1-SD 3.16Å; I68-M90 WeakPolarHBondContact CD1-SD 3.38Å; I68-M90 HydrophobicContact CG1-CE 3.84Å; I68-M90 HydrophobicContact CG1-SD 3.6Å; I68-Y93 HydrophobicContact CB-CE1 4.47Å; I68-Y93 HydrophobicContact CD1-CD1 3.59Å; I68-Y93 HydrophobicContact CD1-CD2 3.96Å; I68-Y93 HydrophobicContact CD1-CE1 4.21Å; I68-Y93 HydrophobicContact CD1-CG 3.46Å; I68-Y93 VanDerWaalsContact CD1-CG 3.46Å; I68-Y93 HydrophobicContact CG1-CD1 3.75Å; I68-Y93 HydrophobicContact CG1-CE1 3.91Å; I68-Y93 HydrophobicContact CG1-CG 4.11Å; I68-Y93 HydrophobicContact CG2-CD1 4.33Å; I68-Y93 HydrophobicContact CG2-CD2 3.99Å; I68-Y93 HydrophobicContact CG2-CE1 3.94Å; I68-Y93 HydrophobicContact CG2-CE2 3.54Å; I68-Y93 HydrophobicContact CG2-CG 4.36Å
69	Q	87.6	Confident	92.7	Very high	181 Å²	181	45.7 Å²	45.7	85%	0.846	23%	0.227	S	C	*	.			trans	-72.3	62.4	-178.8	-63.6	-178.8	-6.9	0	0	112.8
70	I	90.7	Very high	92.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.216	C	C	.	.			trans	-113.4	140.5	175.1	-70.3	170.1	0	0	0	108.2	I68 L75 L78 Y93 K98 F102	I68-I70 HydrophobicContact CG2-CB 4.26Å; I68-I70 HydrophobicContact CG2-CD1 3.38Å; I68-I70 HydrophobicContact CG2-CG1 3.65Å; I68-I70 PolarHBondContact O-N 3.37Å; I70-L75 HydrophobicContact CB-CD1 4.44Å; I70-L75 HydrophobicContact CB-CD2 3.83Å; I70-L75 HydrophobicContact CB-CG 3.82Å; I70-L75 HydrophobicContact CD1-CD2 4.36Å; I70-L75 HydrophobicContact CG2-CD2 4.07Å; I70-L75 HydrophobicContact CG2-CG 3.83Å; I70-L75 WeakPolarHBondContact O-CD1 3.3Å; I70-L75 WeakPolarHBondContact O-CG 3.11Å; I70-L78 HydrophobicContact CD1-CD1 3.81Å; I70-L78 HydrophobicContact CG2-CD1 4.5Å; I70-Y93 HydrophobicContact CD1-CE2 4.04Å; I70-K98 HydrophobicContact CD1-CG 4.49Å; I70-F102 HydrophobicContact CD1-CE2 3.6Å; I70-F102 HydrophobicContact CD1-CZ 4.18Å; I70-F102 HydrophobicContact CG1-CE2 4.08Å; I70-F102 HydrophobicContact CG1-CZ 4.37Å; I70-F102 HydrophobicContact CG2-CE2 4.4Å; I70-F102 HydrophobicContact CG2-CZ 3.92Å
71	P	91.1	Very high	92.7	Very high	41 Å²	41	45 Å²	45	27%	0.266	22%	0.224	S	C	.	.			trans	-60.9	149.5	-179.1	-20.8	30.8	0	0	0	113.3	T73 Y74 L75 P110	P71-T73 VanDerWaalsContact C-N 3.35Å; P71-T73 PolarHBondContact O-N 3.23Å; P71-T73 VanDerWaalsContact O-N 3.17Å; P71-Y74 HydrophobicContact CB-CD2 4.07Å; P71-Y74 HydrophobicContact CG-CD2 4.28Å; P71-Y74 PolarHBondContact O-N 3.45Å; P71-L75 PolarHBondContact O-N 3.04Å; P71-P110 HydrophobicContact CG-CG 4.38Å
72	P	92.6	Very high	92.7	Very high	62 Å²	62	46.1 Å²	46.1	40%	0.403	23%	0.227	S	C	.	.	H	α-helix	trans	-56.1	-39.4	-169.8	-29	34.2	0	0	0	115.5	T61 E65 Y74 L75 R76	T61-P72 HydrophobicContact CG2-CB 4.25Å; E65-P72 WeakPolarHBondContact OE1-CD 2.98Å; E65-P72 WeakPolarHBondContact OE1-CG 3.37Å; P72-Y74 VanDerWaalsContact C-N 3.3Å; P72-Y74 PolarHBondContact O-N 2.84Å; P72-L75 PolarHBondContact O-N 3.22Å; P72-R76 WeakPolarHBondContact O-CB 3.46Å; P72-R76 PolarHBondContact O-N 2.77Å
73	T	92.9	Very high	92.8	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.043	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-39	179.5	-60.5	0	0	0	0	111.1	P71 L77 I183 E185 D186	P71-T73 VanDerWaalsContact C-N 3.35Å; P71-T73 PolarHBondContact O-N 3.23Å; P71-T73 VanDerWaalsContact O-N 3.17Å; T73-L77 HydrophobicContact CG2-CD1 4.47Å; T73-L77 VanDerWaalsContact O-CG 3.31Å; T73-L77 WeakPolarHBondContact O-CG 3.16Å; T73-L77 PolarHBondContact O-N 3.16Å; T73-I183 HydrophobicContact CG2-CG2 4.16Å; T73-E185 WeakPolarHBondContact OG1-CA 3.34Å; T73-D186 PolarHBondContact OG1-N 2.96Å
74	Y	93.3	Very high	92.9	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-73	-41.1	178.3	-68.1	-92	0	0	0	110.8	P71 P72 R76 L77 L78 F102 I107 P110 I183	P71-Y74 HydrophobicContact CB-CD2 4.07Å; P71-Y74 HydrophobicContact CG-CD2 4.28Å; P71-Y74 PolarHBondContact O-N 3.45Å; P72-Y74 VanDerWaalsContact C-N 3.3Å; P72-Y74 PolarHBondContact O-N 2.84Å; Y74-R76 VanDerWaalsContact C-N 3.32Å; Y74-R76 PolarHBondContact O-N 3.32Å; Y74-L77 PolarHBondContact O-N 3.22Å; Y74-L77 VanDerWaalsContact O-N 3.12Å; Y74-L78 WeakPolarHBondContact O-CG 3.3Å; Y74-L78 PolarHBondContact O-N 3.27Å; Y74-F102 AromaticContact CD1-CE1 3.68Å; Y74-F102 HydrophobicContact CD1-CE1 3.68Å; Y74-F102 HydrophobicContact CD1-CZ 4.38Å; Y74-F102 HydrophobicContact CE1-CE1 4.42Å; Y74-F102 HydrophobicContact CG-CE1 4.29Å; Y74-I107 HydrophobicContact CD1-CG2 3.69Å; Y74-I107 HydrophobicContact CE1-CG2 3.7Å; Y74-P110 HydrophobicContact CD2-CG 4.13Å; Y74-P110 HydrophobicContact CE1-CG 4.21Å; Y74-P110 HydrophobicContact CE2-CB 4.05Å; Y74-P110 HydrophobicContact CE2-CG 3.74Å; Y74-I183 HydrophobicContact CE1-CB 4.2Å; Y74-I183 HydrophobicContact CE1-CD1 4.04Å; Y74-I183 HydrophobicContact CE1-CG1 4.29Å; Y74-I183 PolarHBondContact OH-N 3.29Å
75	L	94.3	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-42.1	172.4	-77.1	175.7	0	0	0	112.4	T61 V64 E65 I70 P71 P72 L77 L78 L79	T61-L75 HydrophobicContact CG2-CB 3.81Å; T61-L75 HydrophobicContact CG2-CD1 4.34Å; V64-L75 HydrophobicContact CG1-CD2 3.78Å; E65-L75 VanDerWaalsContact CA-CD1 3.44Å; E65-L75 HydrophobicContact CB-CD1 3.48Å; E65-L75 VanDerWaalsContact CB-CD1 3.48Å; E65-L75 HydrophobicContact CG-CD1 3.97Å; I70-L75 HydrophobicContact CB-CD1 4.44Å; I70-L75 HydrophobicContact CB-CD2 3.83Å; I70-L75 HydrophobicContact CB-CG 3.82Å; I70-L75 HydrophobicContact CD1-CD2 4.36Å; I70-L75 HydrophobicContact CG2-CD2 4.07Å; I70-L75 HydrophobicContact CG2-CG 3.83Å; I70-L75 WeakPolarHBondContact O-CD1 3.3Å; I70-L75 WeakPolarHBondContact O-CG 3.11Å; P71-L75 PolarHBondContact O-N 3.04Å; P72-L75 PolarHBondContact O-N 3.22Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 2.88Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 3.17Å; L75-L79 VanDerWaalsContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CG 3.32Å; L75-L79 PolarHBondContact O-N 2.98Å
76	R	93.8	Very high	93	Very high	13 Å²	13	49.2 Å²	49.2	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-56.8	-43.1	174.1	178.2	-178.3	61.5	69.6	-4.2	111.7	M57 P72 Y74 A80 W84 D186	M57-R76 HydrophobicContact CE-CG 4.4Å; P72-R76 WeakPolarHBondContact O-CB 3.46Å; P72-R76 PolarHBondContact O-N 2.77Å; Y74-R76 VanDerWaalsContact C-N 3.32Å; Y74-R76 PolarHBondContact O-N 3.32Å; R76-A80 VanDerWaalsContact O-CB 3.28Å; R76-A80 WeakPolarHBondContact O-CB 3.03Å; R76-A80 PolarHBondContact O-N 3.44Å; R76-W84 HydrophobicContact CG-CH2 3.97Å; R76-W84 HydrophobicContact CG-CZ2 4.08Å; R76-D186 IonicContact CZ-OD1 2.64Å; R76-D186 IonicContact CZ-OD2 3.44Å; R76-D186 IonicContact NE-OD1 3.62Å; R76-D186 IonicContact NE-OD2 3.44Å; R76-D186 PolarHBondContact NE-OD2 3.08Å; R76-D186 IonicContact NH2-OD1 2.74Å; R76-D186 PolarHBondContact NH2-OD1 3.07Å; R76-D186 IonicContact NH2-OD2 2.64Å; R76-D186 PolarHBondContact NH2-OD2 3.48Å
77	L	93.6	Very high	93.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-38.7	179.9	-66.7	168.2	0	0	0	112.2	T73 Y74 L75 A80 H81 I107 D171 R172 I183	T73-L77 HydrophobicContact CG2-CD1 4.47Å; T73-L77 VanDerWaalsContact O-CG 3.31Å; T73-L77 WeakPolarHBondContact O-CG 3.16Å; T73-L77 PolarHBondContact O-N 3.16Å; Y74-L77 PolarHBondContact O-N 3.22Å; Y74-L77 VanDerWaalsContact O-N 3.12Å; L75-L77 VanDerWaalsContact C-N 3.28Å; L75-L77 PolarHBondContact O-N 2.88Å; L77-A80 PolarHBondContact O-N 2.88Å; L77-H81 PolarHBondContact O-N 3.31Å; L77-H81 VanDerWaalsContact O-N 3.09Å; L77-I107 HydrophobicContact CB-CD1 3.54Å; L77-I107 HydrophobicContact CD1-CD1 3.72Å; L77-I107 HydrophobicContact CG-CD1 4.19Å; L77-D171 HydrophobicContact CD2-CB 4.45Å; L77-D171 WeakPolarHBondContact CD2-OD2 3.49Å; L77-R172 HydrophobicContact CD1-CG 3.96Å; L77-R172 HydrophobicContact CD2-CG 3.64Å; L77-R172 HydrophobicContact CG-CG 4.45Å; L77-I183 HydrophobicContact CD1-CD1 3.56Å; L77-I183 HydrophobicContact CD1-CG2 4.35Å
78	L	94.5	Very high	93.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-51.5	172.4	-67	178.1	0	0	0	110.5	I70 Y74 L75 A80 H81 F82 L89 T101 F102 T105	I70-L78 HydrophobicContact CD1-CD1 3.81Å; I70-L78 HydrophobicContact CG2-CD1 4.5Å; Y74-L78 WeakPolarHBondContact O-CG 3.3Å; Y74-L78 PolarHBondContact O-N 3.27Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 3.17Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 3.27Å; L78-H81 WeakPolarHBondContact O-CA 3.09Å; L78-H81 WeakPolarHBondContact O-CB 3.44Å; L78-H81 PolarHBondContact O-N 3.09Å; L78-F82 VanDerWaalsContact O-CD2 3.3Å; L78-F82 WeakPolarHBondContact O-CD2 3.48Å; L78-F82 PolarHBondContact O-N 3.43Å; L78-L89 HydrophobicContact CB-CD1 3.99Å; L78-L89 HydrophobicContact CB-CD2 4.22Å; L78-T101 HydrophobicContact CD1-CG2 4.1Å; L78-T101 HydrophobicContact CD2-CG2 4.03Å; L78-F102 HydrophobicContact CD1-CE2 4.48Å; L78-T105 HydrophobicContact CD2-CG2 3.52Å
79	L	95.1	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.5	-44	174.8	-77.5	168	0	0	0	111.4	I60 V64 L75 H81 F82 K83 W84 K86 L89	I60-L79 HydrophobicContact CG2-CD1 4.21Å; V64-L79 HydrophobicContact CG2-CD2 4.34Å; L75-L79 VanDerWaalsContact O-CB 3.32Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CG 3.32Å; L75-L79 PolarHBondContact O-N 2.98Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.34Å; L79-F82 CarbonylContact O-C 3.56Å; L79-F82 VanDerWaalsContact O-C 3.27Å; L79-F82 PolarHBondContact O-N 2.9Å; L79-K83 PolarHBondContact O-N 3.12Å; L79-W84 HydrophobicContact CB-CD2 4.16Å; L79-W84 HydrophobicContact CB-CE3 4.04Å; L79-W84 HydrophobicContact CB-CZ3 4.32Å; L79-W84 HydrophobicContact CD1-CE3 4.17Å; L79-W84 HydrophobicContact CD1-CZ3 4.02Å; L79-W84 WeakPolarHBondContact O-CA 3.43Å; L79-W84 PolarHBondContact O-N 3.23Å; L79-K86 HydrophobicContact CD2-CB 4.37Å; L79-L89 HydrophobicContact CD2-CD2 3.7Å; L79-L89 HydrophobicContact CG-CD2 3.84Å
80	A	93.8	Very high	94.1	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-38	176.4	0	0	0	0	0	112.9	R76 L77 L78 K83 S209	R76-A80 VanDerWaalsContact O-CB 3.28Å; R76-A80 WeakPolarHBondContact O-CB 3.03Å; R76-A80 PolarHBondContact O-N 3.44Å; L77-A80 PolarHBondContact O-N 2.88Å; L78-A80 VanDerWaalsContact C-N 3.27Å; L78-A80 PolarHBondContact O-N 3.27Å; A80-K83 PolarHBondContact O-N 3.48Å; A80-S209 WeakPolarHBondContact CB-OG 3.31Å
81	H	93.5	Very high	94.4	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.366	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-43	174.3	178.7	-98.4	0	0	0	112.2	L77 L78 L79 K83 Q104 T105	L77-H81 PolarHBondContact O-N 3.31Å; L77-H81 VanDerWaalsContact O-N 3.09Å; L78-H81 WeakPolarHBondContact O-CA 3.09Å; L78-H81 WeakPolarHBondContact O-CB 3.44Å; L78-H81 PolarHBondContact O-N 3.09Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.34Å; H81-K83 PolarHBondContact O-N 2.99Å; H81-Q104 PolarHBondContact NE2-O 2.99Å; H81-T105 HydrophobicContact CB-CG2 3.5Å; H81-T105 VanDerWaalsContact CB-CG2 3.5Å
82	F	95.1	Very high	94.6	Very high	34 Å²	34	42 Å²	42	15%	0.149	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	21.4	174.8	-69	-87.6	0	0	0	113.1	L78 L79 W84 D85 A88 L89 F92 T101	L78-F82 VanDerWaalsContact O-CD2 3.3Å; L78-F82 WeakPolarHBondContact O-CD2 3.48Å; L78-F82 PolarHBondContact O-N 3.43Å; L79-F82 CarbonylContact O-C 3.56Å; L79-F82 VanDerWaalsContact O-C 3.27Å; L79-F82 PolarHBondContact O-N 2.9Å; F82-W84 PolarHBondContact O-N 3.42Å; F82-W84 VanDerWaalsContact O-N 3.09Å; F82-D85 WeakPolarHBondContact O-CB 3.47Å; F82-D85 PolarHBondContact O-N 3.27Å; F82-A88 HydrophobicContact CD1-CB 4.37Å; F82-L89 HydrophobicContact CB-CB 4.19Å; F82-L89 HydrophobicContact CD2-CB 4.12Å; F82-L89 HydrophobicContact CD2-CD1 3.61Å; F82-L89 HydrophobicContact CD2-CG 4.42Å; F82-L89 HydrophobicContact CE2-CD1 3.68Å; F82-L89 HydrophobicContact CG-CB 4.08Å; F82-L89 HydrophobicContact CG-CD1 4.41Å; F82-F92 HydrophobicContact CE1-CB 3.86Å; F82-F92 HydrophobicContact CE1-CD2 4.38Å; F82-F92 AromaticContact CE1-CG 3.99Å; F82-F92 HydrophobicContact CE1-CG 3.99Å; F82-F92 HydrophobicContact CZ-CB 3.89Å; F82-F92 AromaticContact CZ-CD1 3.81Å; F82-F92 HydrophobicContact CZ-CD1 3.81Å; F82-F92 HydrophobicContact CZ-CD2 4.36Å; F82-F92 AromaticContact CZ-CG 3.73Å; F82-F92 HydrophobicContact CZ-CG 3.73Å; F82-T101 HydrophobicContact CE2-CG2 4.43Å
83	K	95.2	Very high	94.7	Very high	142 Å²	142	41.1 Å²	41.1	62%	0.617	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	31.5	175.4	-54.3	-178.1	-179.1	171.3	0	114.2	L79 A80 H81 D85 H213	L79-K83 PolarHBondContact O-N 3.12Å; A80-K83 PolarHBondContact O-N 3.48Å; H81-K83 PolarHBondContact O-N 2.99Å; K83-D85 PolarHBondContact O-N 3.36Å; K83-H213 HydrophobicContact CB-CB 4.23Å; K83-H213 WeakPolarHBondContact O-CB 3.43Å
84	W	95.7	Very high	94.8	Very high	27 Å²	27	47.2 Å²	47.2	10%	0.102	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	20.6	-176.7	-62.8	81.2	0	0	0	114.6	M57 I60 R76 L79 F82 K86 S209 F210	M57-W84 HydrophobicContact CB-CH2 4.01Å; M57-W84 HydrophobicContact CB-CZ3 4.15Å; M57-W84 HydrophobicContact CE-CH2 3.55Å; M57-W84 HydrophobicContact CE-CZ2 3.78Å; M57-W84 HydrophobicContact CG-CH2 3.9Å; M57-W84 HydrophobicContact CG-CZ3 4.19Å; I60-W84 HydrophobicContact CG2-CE3 4.44Å; R76-W84 HydrophobicContact CG-CH2 3.97Å; R76-W84 HydrophobicContact CG-CZ2 4.08Å; L79-W84 HydrophobicContact CB-CD2 4.16Å; L79-W84 HydrophobicContact CB-CE3 4.04Å; L79-W84 HydrophobicContact CB-CZ3 4.32Å; L79-W84 HydrophobicContact CD1-CE3 4.17Å; L79-W84 HydrophobicContact CD1-CZ3 4.02Å; L79-W84 WeakPolarHBondContact O-CA 3.43Å; L79-W84 PolarHBondContact O-N 3.23Å; F82-W84 PolarHBondContact O-N 3.42Å; F82-W84 VanDerWaalsContact O-N 3.09Å; W84-K86 PolarHBondContact O-N 3.09Å; W84-S209 PolarHBondContact NE1-OG 3.04Å; W84-S209 VanDerWaalsContact NE1-OG 3.13Å; W84-F210 HydrophobicContact CB-CD2 4.32Å; W84-F210 HydrophobicContact CD2-CB 4.07Å; W84-F210 AromaticContact CD2-CD2 3.52Å; W84-F210 HydrophobicContact CD2-CD2 3.52Å; W84-F210 HydrophobicContact CD2-CE2 4.45Å; W84-F210 HydrophobicContact CD2-CG 4.25Å; W84-F210 AromaticContact CE2-CD2 4Å; W84-F210 AromaticContact CE3-CD2 3.59Å; W84-F210 HydrophobicContact CE3-CD2 3.59Å; W84-F210 HydrophobicContact CE3-CE2 4.19Å; W84-F210 HydrophobicContact CE3-CG 4.44Å; W84-F210 AromaticContact CG-CD2 3.84Å; W84-F210 HydrophobicContact CG-CD2 3.84Å; W84-F210 HydrophobicContact CH2-CB 4.3Å; W84-F210 HydrophobicContact CZ2-CB 3.75Å; W84-F210 HydrophobicContact CZ2-CD2 4.48Å; W84-F210 HydrophobicContact CZ2-CG 4.48Å; W84-F210 HydrophobicContact CZ3-CD2 4.1Å; W84-F210 VanDerWaalsContact NE1-CA 3.33Å; W84-F210 VanDerWaalsContact NE1-N 3.19Å
85	D	95.3	Very high	95	Very high	79 Å²	79	53.8 Å²	53.8	42%	0.422	26%	0.256	S	S	.	.			trans	-82.3	102.3	165.6	-169.1	-30	0	0	0	108.9	F82 K83 D87 A88 L89	F82-D85 WeakPolarHBondContact O-CB 3.47Å; F82-D85 PolarHBondContact O-N 3.27Å; K83-D85 PolarHBondContact O-N 3.36Å; D85-D87 VanDerWaalsContact C-N 3.33Å; D85-D87 PolarHBondContact OD1-N 3.42Å; D85-A88 HydrophobicContact CB-CB 3.88Å; D85-A88 PolarHBondContact OD1-N 2.99Å; D85-L89 PolarHBondContact O-N 3.29Å
86	K	94.4	Very high	95	Very high	76 Å²	76	57.7 Å²	57.7	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-36.5	-179.5	69.8	-176	-172.9	-175.7	0	111.4	E63 V64 L79 W84 L89 M90	E63-K86 IonicContact OE2-NZ 2.62Å; E63-K86 PolarHBondContact OE2-NZ 2.76Å; V64-K86 HydrophobicContact CG2-CB 3.87Å; L79-K86 HydrophobicContact CD2-CB 4.37Å; W84-K86 PolarHBondContact O-N 3.09Å; K86-L89 PolarHBondContact O-N 3.04Å; K86-M90 WeakPolarHBondContact O-CB 3.28Å; K86-M90 WeakPolarHBondContact O-CG 3.31Å; K86-M90 PolarHBondContact O-N 2.88Å
87	D	95.6	Very high	95	Very high	111 Å²	111	58.3 Å²	58.3	59%	0.594	29%	0.285	S	S	*	.	H	α-helix	trans	-69.6	-41.5	-176.6	-61.1	-44.2	0	0	0	110	D85 L89 M90 E91	D85-D87 VanDerWaalsContact C-N 3.33Å; D85-D87 PolarHBondContact OD1-N 3.42Å; D87-L89 PolarHBondContact O-N 2.97Å; D87-M90 PolarHBondContact O-N 2.78Å; D87-E91 WeakPolarHBondContact O-CB 3.37Å; D87-E91 PolarHBondContact O-N 2.89Å
88	A	96	Very high	94.9	Very high	33 Å²	33	61.1 Å²	61.1	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-40.6	174.7	0	0	0	0	0	113.1	F82 D85 F92	F82-A88 HydrophobicContact CD1-CB 4.37Å; D85-A88 HydrophobicContact CB-CB 3.88Å; D85-A88 PolarHBondContact OD1-N 2.99Å; A88-F92 WeakPolarHBondContact O-CB 3.49Å; A88-F92 PolarHBondContact O-N 3.17Å; A88-F92 VanDerWaalsContact O-N 3.11Å
89	L	96	Very high	94.8	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-45.7	174.3	170.3	61.3	0	0	0	111.1	V64 L78 L79 F82 D85 K86 D87 F92 Y93 T101	V64-L89 HydrophobicContact CG1-CD2 4.01Å; L78-L89 HydrophobicContact CB-CD1 3.99Å; L78-L89 HydrophobicContact CB-CD2 4.22Å; L79-L89 HydrophobicContact CD2-CD2 3.7Å; L79-L89 HydrophobicContact CG-CD2 3.84Å; F82-L89 HydrophobicContact CB-CB 4.19Å; F82-L89 HydrophobicContact CD2-CB 4.12Å; F82-L89 HydrophobicContact CD2-CD1 3.61Å; F82-L89 HydrophobicContact CD2-CG 4.42Å; F82-L89 HydrophobicContact CE2-CD1 3.68Å; F82-L89 HydrophobicContact CG-CB 4.08Å; F82-L89 HydrophobicContact CG-CD1 4.41Å; D85-L89 PolarHBondContact O-N 3.29Å; K86-L89 PolarHBondContact O-N 3.04Å; D87-L89 PolarHBondContact O-N 2.97Å; L89-F92 PolarHBondContact O-N 3.38Å; L89-Y93 VanDerWaalsContact O-CB 3.31Å; L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.28Å; L89-T101 HydrophobicContact CD1-CG2 3.88Å
90	M	94.6	Very high	94.7	Very high	22 Å²	22	68.4 Å²	68.4	11%	0.108	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-46	-178.3	-69	-59.8	-67.3	0	0	111.8	V64 I67 I68 K86 D87 Y93 F94	V64-M90 HydrophobicContact CG1-SD 3.88Å; I67-M90 HydrophobicContact CB-CE 3.5Å; I67-M90 HydrophobicContact CD1-CE 3.72Å; I67-M90 HydrophobicContact CG1-CE 4.2Å; I67-M90 HydrophobicContact CG2-CE 3.21Å; I68-M90 HydrophobicContact CD1-CE 3.95Å; I68-M90 HydrophobicContact CD1-SD 3.16Å; I68-M90 WeakPolarHBondContact CD1-SD 3.38Å; I68-M90 HydrophobicContact CG1-CE 3.84Å; I68-M90 HydrophobicContact CG1-SD 3.6Å; K86-M90 WeakPolarHBondContact O-CB 3.28Å; K86-M90 WeakPolarHBondContact O-CG 3.31Å; K86-M90 PolarHBondContact O-N 2.88Å; D87-M90 PolarHBondContact O-N 2.78Å; M90-Y93 PolarHBondContact O-N 3.18Å; M90-F94 HydrophobicContact CE-CD2 4.39Å; M90-F94 HydrophobicContact CE-CE2 3.42Å; M90-F94 VanDerWaalsContact CE-CE2 3.42Å; M90-F94 HydrophobicContact CE-CZ 3.9Å; M90-F94 WeakPolarHBondContact O-CD2 3.39Å; M90-F94 PolarHBondContact O-N 2.64Å
91	E	95.6	Very high	94.7	Very high	138 Å²	138	67.7 Å²	67.7	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-57.6	-50.5	176.4	-175.5	174.9	-169.6	0	0	110.7	D87 Y93 F94 E95	D87-E91 WeakPolarHBondContact O-CB 3.37Å; D87-E91 PolarHBondContact O-N 2.89Å; E91-Y93 VanDerWaalsContact C-N 3.33Å; E91-Y93 PolarHBondContact O-N 3.03Å; E91-F94 PolarHBondContact O-N 3.36Å; E91-E95 WeakPolarHBondContact O-CB 3.32Å; E91-E95 PolarHBondContact O-N 3.47Å
92	F	95.7	Very high	94.7	Very high	37 Å²	37	64.2 Å²	64.2	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-43.5	178.4	-170.6	-87.6	0	0	0	112.2	F82 A88 L89 F94 E95 H96 D100 T101 Q104	F82-F92 HydrophobicContact CE1-CB 3.86Å; F82-F92 HydrophobicContact CE1-CD2 4.38Å; F82-F92 AromaticContact CE1-CG 3.99Å; F82-F92 HydrophobicContact CE1-CG 3.99Å; F82-F92 HydrophobicContact CZ-CB 3.89Å; F82-F92 AromaticContact CZ-CD1 3.81Å; F82-F92 HydrophobicContact CZ-CD1 3.81Å; F82-F92 HydrophobicContact CZ-CD2 4.36Å; F82-F92 AromaticContact CZ-CG 3.73Å; F82-F92 HydrophobicContact CZ-CG 3.73Å; A88-F92 WeakPolarHBondContact O-CB 3.49Å; A88-F92 PolarHBondContact O-N 3.17Å; A88-F92 VanDerWaalsContact O-N 3.11Å; L89-F92 PolarHBondContact O-N 3.38Å; F92-F94 PolarHBondContact O-N 2.86Å; F92-E95 PolarHBondContact O-N 3.36Å; F92-H96 AromaticContact CD2-CE1 3.87Å; F92-H96 AromaticContact CD2-ND1 3.56Å; F92-H96 HydrophobicContact CE1-CB 4.08Å; F92-H96 AromaticContact CE2-CE1 3.71Å; F92-H96 AromaticContact CE2-CG 3.98Å; F92-H96 AromaticContact CE2-ND1 3.5Å; F92-H96 WeakPolarHBondContact CE2-ND1 3.34Å; F92-H96 AromaticContact CG-ND1 3.96Å; F92-H96 HydrophobicContact CZ-CB 4.15Å; F92-H96 AromaticContact CZ-CG 3.87Å; F92-H96 AromaticContact CZ-ND1 3.83Å; F92-H96 PolarHBondContact O-N 3.33Å; F92-H96 PolarHBondContact O-ND1 3.08Å; F92-D100 HydrophobicContact CE1-CB 4.48Å; F92-T101 HydrophobicContact CD1-CG2 4.33Å; F92-Q104 HydrophobicContact CE1-CG 3.67Å; F92-Q104 HydrophobicContact CE2-CG 4.3Å; F92-Q104 HydrophobicContact CZ-CG 3.48Å; F92-Q104 VanDerWaalsContact CZ-CG 3.48Å
93	Y	95.3	Very high	94.5	Very high	45 Å²	45	65.7 Å²	65.7	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-41.7	180	-179.3	-91.3	0	0	0	112.6	I68 I70 L89 M90 E91 G97 K98 T101	I68-Y93 HydrophobicContact CB-CE1 4.47Å; I68-Y93 HydrophobicContact CD1-CD1 3.59Å; I68-Y93 HydrophobicContact CD1-CD2 3.96Å; I68-Y93 HydrophobicContact CD1-CE1 4.21Å; I68-Y93 HydrophobicContact CD1-CG 3.46Å; I68-Y93 VanDerWaalsContact CD1-CG 3.46Å; I68-Y93 HydrophobicContact CG1-CD1 3.75Å; I68-Y93 HydrophobicContact CG1-CE1 3.91Å; I68-Y93 HydrophobicContact CG1-CG 4.11Å; I68-Y93 HydrophobicContact CG2-CD1 4.33Å; I68-Y93 HydrophobicContact CG2-CD2 3.99Å; I68-Y93 HydrophobicContact CG2-CE1 3.94Å; I68-Y93 HydrophobicContact CG2-CE2 3.54Å; I68-Y93 HydrophobicContact CG2-CG 4.36Å; I70-Y93 HydrophobicContact CD1-CE2 4.04Å; L89-Y93 VanDerWaalsContact O-CB 3.31Å; L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.28Å; M90-Y93 PolarHBondContact O-N 3.18Å; E91-Y93 VanDerWaalsContact C-N 3.33Å; E91-Y93 PolarHBondContact O-N 3.03Å; Y93-G97 WeakPolarHBondContact O-CA 3.5Å; Y93-G97 PolarHBondContact O-N 3.22Å; Y93-K98 HydrophobicContact CE2-CB 3.68Å; Y93-K98 HydrophobicContact CE2-CG 3.96Å; Y93-T101 WeakPolarHBondContact CA-OG1 3.45Å; Y93-T101 HydrophobicContact CD2-CG2 4.31Å
94	F	95.4	Very high	94.2	Very high	135 Å²	135	63.8 Å²	63.8	59%	0.592	34%	0.336	S	S	*	.	H	α-helix	trans	-77.7	-27.4	179.9	-72.6	-58.4	0	0	0	113.6	I67 M90 E91 F92	I67-F94 HydrophobicContact CG2-CE2 4.32Å; I67-F94 HydrophobicContact CG2-CZ 3.8Å; M90-F94 HydrophobicContact CE-CD2 4.39Å; M90-F94 HydrophobicContact CE-CE2 3.42Å; M90-F94 VanDerWaalsContact CE-CE2 3.42Å; M90-F94 HydrophobicContact CE-CZ 3.9Å; M90-F94 WeakPolarHBondContact O-CD2 3.39Å; M90-F94 PolarHBondContact O-N 2.64Å; E91-F94 PolarHBondContact O-N 3.36Å; F92-F94 PolarHBondContact O-N 2.86Å
95	E	96.2	Very high	93.7	Very high	140 Å²	140	63 Å²	63	65%	0.654	33%	0.334	S	S	*	.	H	α-helix	trans	-77.8	-45	177.6	-173.1	177	-163.2	0	0	112.5	E91 F92	E91-E95 WeakPolarHBondContact O-CB 3.32Å; E91-E95 PolarHBondContact O-N 3.47Å; F92-E95 PolarHBondContact O-N 3.36Å
96	H	94.9	Very high	93.3	Very high	83 Å²	83	61.9 Å²	61.9	38%	0.384	34%	0.341	S	S	.	.	H	α-helix	trans	-106.9	-18.4	-172.2	-57	85.1	0	0	0	113.4	F92 D100	F92-H96 AromaticContact CD2-CE1 3.87Å; F92-H96 AromaticContact CD2-ND1 3.56Å; F92-H96 HydrophobicContact CE1-CB 4.08Å; F92-H96 AromaticContact CE2-CE1 3.71Å; F92-H96 AromaticContact CE2-CG 3.98Å; F92-H96 AromaticContact CE2-ND1 3.5Å; F92-H96 WeakPolarHBondContact CE2-ND1 3.34Å; F92-H96 AromaticContact CG-ND1 3.96Å; F92-H96 HydrophobicContact CZ-CB 4.15Å; F92-H96 AromaticContact CZ-CG 3.87Å; F92-H96 AromaticContact CZ-ND1 3.83Å; F92-H96 PolarHBondContact O-N 3.33Å; F92-H96 PolarHBondContact O-ND1 3.08Å; H96-D100 HydrophobicContact CB-CB 3.75Å
97	G	92.9	Very high	93	Very high	26 Å²	26	58.7 Å²	58.7	27%	0.268	33%	0.328	S	S	.	.			trans	85.2	174.6	-178.3	0	0	0	0	0	114.6	Y93 A99 T101	Y93-G97 WeakPolarHBondContact O-CA 3.5Å; Y93-G97 PolarHBondContact O-N 3.22Å; G97-A99 PolarHBondContact O-N 3.07Å; G97-T101 PolarHBondContact O-N 3.39Å; G97-T101 PolarHBondContact O-OG1 3.31Å
98	K	92.5	Very high	92.7	Very high	59 Å²	59	55.5 Å²	55.5	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-49.3	-173	-170.8	-178.8	-167.2	-159	0	113.2	I70 Y93 D100 T101 F102 D109	I70-K98 HydrophobicContact CD1-CG 4.49Å; Y93-K98 HydrophobicContact CE2-CB 3.68Å; Y93-K98 HydrophobicContact CE2-CG 3.96Å; K98-D100 PolarHBondContact O-N 2.74Å; K98-T101 WeakPolarHBondContact O-CB 3.17Å; K98-T101 PolarHBondContact O-N 2.66Å; K98-T101 VanDerWaalsContact O-N 3.16Å; K98-F102 HydrophobicContact CD-CE2 4.44Å; K98-F102 HydrophobicContact CG-CD2 3.91Å; K98-F102 HydrophobicContact CG-CE2 3.86Å; K98-F102 WeakPolarHBondContact O-CD2 3.32Å; K98-F102 PolarHBondContact O-N 2.98Å; K98-F102 VanDerWaalsContact O-N 3.07Å; K98-D109 WeakPolarHBondContact CD-OD2 3.44Å; K98-D109 WeakPolarHBondContact CE-OD2 3.35Å; K98-D109 IonicContact NZ-OD1 3.79Å; K98-D109 PolarHBondContact NZ-OD1 3.45Å; K98-D109 IonicContact NZ-OD2 2.67Å; K98-D109 PolarHBondContact NZ-OD2 2.8Å
99	A	91.6	Very high	92.3	Very high	73 Å²	73	54.6 Å²	54.6	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-59.1	-45.8	-174.8	0	0	0	0	0	112.1	G97 T101 F102 A103	G97-A99 PolarHBondContact O-N 3.07Å; A99-T101 VanDerWaalsContact C-N 3.33Å; A99-T101 PolarHBondContact O-N 3.21Å; A99-F102 PolarHBondContact O-N 2.87Å; A99-A103 WeakPolarHBondContact O-CB 3.31Å; A99-A103 PolarHBondContact O-N 2.64Å
100	D	93.2	Very high	91.8	Very high	82 Å²	82	55.4 Å²	55.4	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-68.3	-34	179.3	-72.7	-18.5	0	0	0	111.9	F92 H96 K98 A103 Q104	F92-D100 HydrophobicContact CE1-CB 4.48Å; H96-D100 HydrophobicContact CB-CB 3.75Å; K98-D100 PolarHBondContact O-N 2.74Å; D100-A103 WeakPolarHBondContact O-CB 3.49Å; D100-A103 PolarHBondContact O-N 3.08Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 2.87Å
101	T	93.6	Very high	91.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-42.8	177.2	-54.7	0	0	0	0	111.5	L78 F82 L89 F92 Y93 G97 K98 A99	L78-T101 HydrophobicContact CD1-CG2 4.1Å; L78-T101 HydrophobicContact CD2-CG2 4.03Å; F82-T101 HydrophobicContact CE2-CG2 4.43Å; L89-T101 HydrophobicContact CD1-CG2 3.88Å; F92-T101 HydrophobicContact CD1-CG2 4.33Å; Y93-T101 WeakPolarHBondContact CA-OG1 3.45Å; Y93-T101 HydrophobicContact CD2-CG2 4.31Å; G97-T101 PolarHBondContact O-N 3.39Å; G97-T101 PolarHBondContact O-OG1 3.31Å; K98-T101 WeakPolarHBondContact O-CB 3.17Å; K98-T101 PolarHBondContact O-N 2.66Å; K98-T101 VanDerWaalsContact O-N 3.16Å; A99-T101 VanDerWaalsContact C-N 3.33Å; A99-T101 PolarHBondContact O-N 3.21Å
102	F	93.6	Very high	90.9	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-41.6	172.8	-87.8	-93.1	0	0	0	111.7	I70 Y74 L78 K98 A99 Q104 T105 G106 I107 D109	I70-F102 HydrophobicContact CD1-CE2 3.6Å; I70-F102 HydrophobicContact CD1-CZ 4.18Å; I70-F102 HydrophobicContact CG1-CE2 4.08Å; I70-F102 HydrophobicContact CG1-CZ 4.37Å; I70-F102 HydrophobicContact CG2-CE2 4.4Å; I70-F102 HydrophobicContact CG2-CZ 3.92Å; Y74-F102 AromaticContact CD1-CE1 3.68Å; Y74-F102 HydrophobicContact CD1-CE1 3.68Å; Y74-F102 HydrophobicContact CD1-CZ 4.38Å; Y74-F102 HydrophobicContact CE1-CE1 4.42Å; Y74-F102 HydrophobicContact CG-CE1 4.29Å; L78-F102 HydrophobicContact CD1-CE2 4.48Å; K98-F102 HydrophobicContact CD-CE2 4.44Å; K98-F102 HydrophobicContact CG-CD2 3.91Å; K98-F102 HydrophobicContact CG-CE2 3.86Å; K98-F102 WeakPolarHBondContact O-CD2 3.32Å; K98-F102 PolarHBondContact O-N 2.98Å; K98-F102 VanDerWaalsContact O-N 3.07Å; A99-F102 PolarHBondContact O-N 2.87Å; F102-Q104 VanDerWaalsContact C-N 3.3Å; F102-Q104 PolarHBondContact O-N 3.05Å; F102-T105 PolarHBondContact O-N 3.18Å; F102-T105 VanDerWaalsContact O-N 3.07Å; F102-T105 PolarHBondContact O-OG1 3.43Å; F102-G106 PolarHBondContact O-N 3.38Å; F102-I107 WeakPolarHBondContact CB-O 2.93Å; F102-I107 HydrophobicContact CD1-CB 4.21Å; F102-I107 HydrophobicContact CD1-CG2 4.04Å; F102-I107 HydrophobicContact CE1-CG2 4.23Å; F102-I107 PolarHBondContact O-N 2.76Å; F102-D109 HydrophobicContact CD1-CB 4.35Å; F102-D109 HydrophobicContact CD2-CB 4.49Å; F102-D109 HydrophobicContact CE1-CB 4.34Å; F102-D109 HydrophobicContact CE2-CB 4.49Å; F102-D109 HydrophobicContact CG-CB 4.41Å; F102-D109 HydrophobicContact CZ-CB 4.41Å
103	A	91.3	Very high	90.3	Very high	65 Å²	65	60 Å²	60	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-37.9	179.4	0	0	0	0	0	113	A99 D100 T105 G106	A99-A103 WeakPolarHBondContact O-CB 3.31Å; A99-A103 PolarHBondContact O-N 2.64Å; D100-A103 WeakPolarHBondContact O-CB 3.49Å; D100-A103 PolarHBondContact O-N 3.08Å; A103-T105 PolarHBondContact O-N 2.78Å; A103-G106 PolarHBondContact O-N 3.32Å; A103-G106 VanDerWaalsContact O-N 3.08Å
104	Q	88.6	Confident	89.6	Confident	102 Å²	102	62.4 Å²	62.4	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-55.9	-36.2	176.1	-72.3	-61.4	-39.1	0	0	113	H81 F92 D100 F102	H81-Q104 PolarHBondContact NE2-O 2.99Å; F92-Q104 HydrophobicContact CE1-CG 3.67Å; F92-Q104 HydrophobicContact CE2-CG 4.3Å; F92-Q104 HydrophobicContact CZ-CG 3.48Å; F92-Q104 VanDerWaalsContact CZ-CG 3.48Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 2.87Å; F102-Q104 VanDerWaalsContact C-N 3.3Å; F102-Q104 PolarHBondContact O-N 3.05Å
105	T	85.5	Confident	88.9	Confident	9 Å²	9	61 Å²	61	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-90.3	-8.7	-178.7	65.9	0	0	0	0	113.7	L78 H81 F102 A103 I107 R172	L78-T105 HydrophobicContact CD2-CG2 3.52Å; H81-T105 HydrophobicContact CB-CG2 3.5Å; H81-T105 VanDerWaalsContact CB-CG2 3.5Å; F102-T105 PolarHBondContact O-N 3.18Å; F102-T105 VanDerWaalsContact O-N 3.07Å; F102-T105 PolarHBondContact O-OG1 3.43Å; A103-T105 PolarHBondContact O-N 2.78Å; T105-I107 PolarHBondContact O-N 3.26Å; T105-I107 WeakPolarHBondContact OG1-CB 3.33Å; T105-I107 WeakPolarHBondContact OG1-CD1 3.46Å; T105-I107 VanDerWaalsContact OG1-CG1 3.3Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.26Å; T105-I107 PolarHBondContact OG1-N 2.72Å; T105-R172 PolarHBondContact O-NH1 3.09Å; T105-R172 PolarHBondContact O-NH2 3.13Å
106	G	86.9	Confident	88	Confident	56 Å²	56	59 Å²	59	58%	0.577	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	17.1	-170.3	0	0	0	0	0	113.8	F102 A103	F102-G106 PolarHBondContact O-N 3.38Å; A103-G106 PolarHBondContact O-N 3.32Å; A103-G106 VanDerWaalsContact O-N 3.08Å
107	I	88.6	Confident	86.6	Confident	9 Å²	9	56 Å²	56	5%	0.046	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-93.7	142.6	177.6	-59.4	168.7	0	0	0	108.7	Y74 L77 F102 T105 I183	Y74-I107 HydrophobicContact CD1-CG2 3.69Å; Y74-I107 HydrophobicContact CE1-CG2 3.7Å; L77-I107 HydrophobicContact CB-CD1 3.54Å; L77-I107 HydrophobicContact CD1-CD1 3.72Å; L77-I107 HydrophobicContact CG-CD1 4.19Å; F102-I107 WeakPolarHBondContact CB-O 2.93Å; F102-I107 HydrophobicContact CD1-CB 4.21Å; F102-I107 HydrophobicContact CD1-CG2 4.04Å; F102-I107 HydrophobicContact CE1-CG2 4.23Å; F102-I107 PolarHBondContact O-N 2.76Å; T105-I107 PolarHBondContact O-N 3.26Å; T105-I107 WeakPolarHBondContact OG1-CB 3.33Å; T105-I107 WeakPolarHBondContact OG1-CD1 3.46Å; T105-I107 VanDerWaalsContact OG1-CG1 3.3Å; T105-I107 WeakPolarHBondContact OG1-CG1 3.26Å; T105-I107 PolarHBondContact OG1-N 2.72Å; I107-I183 HydrophobicContact CD1-CD1 4.24Å; I107-I183 HydrophobicContact CG1-CD1 4.18Å; I107-I183 HydrophobicContact CG2-CD1 3.62Å
108	V	88.5	Confident	85.3	Confident	45 Å²	45	58.7 Å²	58.7	27%	0.273	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-90.1	136.7	174	-173.4	0	0	0	0	108.6	D112 I113 R181	V108-D112 HydrophobicContact CG1-CB 4.4Å; V108-I113 HydrophobicContact CB-CD1 4.29Å; V108-I113 HydrophobicContact CB-CG1 4.21Å; V108-I113 HydrophobicContact CG1-CD1 4.28Å; V108-I113 HydrophobicContact CG1-CG1 3.67Å; V108-R181 HydrophobicContact CG2-CB 4.29Å
109	D	88.1	Confident	83.7	Confident	13 Å²	13	63.2 Å²	63.2	7%	0.07	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-57.5	126.5	171.5	-173.4	-24.8	0	0	0	109.2	K98 F102 M111 D112	K98-D109 WeakPolarHBondContact CD-OD2 3.44Å; K98-D109 WeakPolarHBondContact CE-OD2 3.35Å; K98-D109 IonicContact NZ-OD1 3.79Å; K98-D109 PolarHBondContact NZ-OD1 3.45Å; K98-D109 IonicContact NZ-OD2 2.67Å; K98-D109 PolarHBondContact NZ-OD2 2.8Å; F102-D109 HydrophobicContact CD1-CB 4.35Å; F102-D109 HydrophobicContact CD2-CB 4.49Å; F102-D109 HydrophobicContact CE1-CB 4.34Å; F102-D109 HydrophobicContact CE2-CB 4.49Å; F102-D109 HydrophobicContact CG-CB 4.41Å; F102-D109 HydrophobicContact CZ-CB 4.41Å; D109-M111 PolarHBondContact O-N 2.95Å; D109-M111 WeakPolarHBondContact OD1-CB 3.39Å; D109-M111 PolarHBondContact OD1-N 3.14Å; D109-D112 HydrophobicContact CB-CB 4.26Å; D109-D112 PolarHBondContact O-N 3.11Å
110	P	85.5	Confident	81.9	Confident	19 Å²	19	63.8 Å²	63.8	12%	0.123	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-55.5	-26.2	179.4	21.1	-33.2	0	0	0	113.4	P71 Y74	P71-P110 HydrophobicContact CG-CG 4.38Å; Y74-P110 HydrophobicContact CD2-CG 4.13Å; Y74-P110 HydrophobicContact CE1-CG 4.21Å; Y74-P110 HydrophobicContact CE2-CB 4.05Å; Y74-P110 HydrophobicContact CE2-CG 3.74Å
111	M	85.1	Confident	79.9	Confident	156 Å²	156	64.5 Å²	64.5	77%	0.768	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-76.1	-22.3	178.3	-62.1	-58.6	-65	0	0	113.5	D109	D109-M111 PolarHBondContact O-N 2.95Å; D109-M111 WeakPolarHBondContact OD1-CB 3.39Å; D109-M111 PolarHBondContact OD1-N 3.14Å
112	D	86.2	Confident	77.8	Confident	115 Å²	115	67.6 Å²	67.6	62%	0.615	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-89.6	-5.7	-179.8	-67.8	-24.1	0	0	0	112.5	V108 D109 P114	V108-D112 HydrophobicContact CG1-CB 4.4Å; D109-D112 HydrophobicContact CB-CB 4.26Å; D109-D112 PolarHBondContact O-N 3.11Å; D112-P114 WeakPolarHBondContact O-CD 3.5Å
113	I	82.8	Confident	75.7	Confident	22 Å²	22	76.5 Å²	76.5	11%	0.113	44%	0.437	C	S	.	.	S	Bend	trans	-81.8	120.5	-178.8	-59.7	175.6	0	0	0	109.4	V108 V115 I182	V108-I113 HydrophobicContact CB-CD1 4.29Å; V108-I113 HydrophobicContact CB-CG1 4.21Å; V108-I113 HydrophobicContact CG1-CD1 4.28Å; V108-I113 HydrophobicContact CG1-CG1 3.67Å; I113-V115 PolarHBondContact O-N 3.36Å; I113-I182 HydrophobicContact CD1-CB 3.66Å; I113-I182 HydrophobicContact CD1-CD1 4.26Å; I113-I182 HydrophobicContact CD1-CG1 3.84Å
114	P	80.4	Confident	73.8	Confident	95 Å²	95	82.6 Å²	82.6	62%	0.617	45%	0.451	S	S	*	.			trans	-61.4	135.2	179.1	-21.4	32.3	0	0	0	112	D112 T116	D112-P114 WeakPolarHBondContact O-CD 3.5Å; P114-T116 HydrophobicContact CB-CG2 4.09Å; P114-T116 PolarHBondContact O-N 3.45Å
115	V	80.3	Confident	72.4	Confident	105 Å²	105	84.9 Å²	84.9	64%	0.636	46%	0.46	S	S	*	.			trans	-77.8	91.4	172.9	-174	0	0	0	0	108.6	I113 A148	I113-V115 PolarHBondContact O-N 3.36Å; V115-A148 HydrophobicContact CG1-CB 3.56Å
116	T	78.8	Confident	71.9	Confident	100 Å²	100	91 Å²	91	61%	0.613	49%	0.492	S	S	*	.			trans	-102.2	-6.4	179.2	57.8	0	0	0	0	113.5	P114 S118	P114-T116 HydrophobicContact CB-CG2 4.09Å; P114-T116 PolarHBondContact O-N 3.45Å; T116-S118 PolarHBondContact O-N 2.94Å
117	G	65.1	Low	71.7	Confident	18 Å²	18	92.2 Å²	92.2	19%	0.186	48%	0.483	C	S	.	.			trans	-68	129	-177.8	0	0	0	0	0	112.3	C147 A148	G117-C147 PolarHBondContact N-O 2.72Å; G117-C147 VanDerWaalsContact N-O 3.15Å; G117-A148 CarbonylContact C-O 3.51Å; G117-A148 VanDerWaalsContact CA-O 3.3Å; G117-A148 WeakPolarHBondContact CA-O 2.87Å
118	S	64.6	Low	71.7	Confident	84 Å²	84	92.4 Å²	92.4	59%	0.587	48%	0.484	S	S	*	.			trans	-107	132.3	174	-173.7	0	0	0	0	109.7	T116 N120	T116-S118 PolarHBondContact O-N 2.94Å; S118-N120 PolarHBondContact O-N 3.45Å
119	R	58.5	Low	71.9	Confident	154 Å²	154	93 Å²	93	58%	0.581	49%	0.488	S	S	*	.			trans	-75.1	106.3	166.5	-75.8	-176.1	175.7	177.7	-0.1	107.8	L121 Y150	R119-L121 HydrophobicContact CB-CD1 3.9Å; R119-L121 HydrophobicContact CB-CG 4.04Å; R119-L121 PolarHBondContact O-N 3.26Å; R119-Y150 HydrophobicContact CG-CD2 3.75Å; R119-Y150 HydrophobicContact CG-CE2 3.61Å; R119-Y150 PolarHBondContact NE-OH 3.08Å; R119-Y150 PolarHBondContact NH2-OH 3.49Å
120	N	54.1	Low	72.1	Confident	85 Å²	85	92.4 Å²	92.4	46%	0.455	48%	0.484	S	S	.	.			trans	-70.6	69	170.2	-70.2	-28.7	0	0	0	110.3	S118 C122 V128 D131	S118-N120 PolarHBondContact O-N 3.45Å; N120-C122 PolarHBondContact O-N 3.26Å; N120-V128 WeakPolarHBondContact O-CG1 3.39Å; N120-D131 PolarHBondContact ND2-OD1 2.81Å
121	L	52.3	Low	72.3	Confident	97 Å²	97	95 Å²	95	51%	0.508	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	113.7	176.5	-77.2	153.1	0	0	0	109.1	R119 E123 V128	R119-L121 HydrophobicContact CB-CD1 3.9Å; R119-L121 HydrophobicContact CB-CG 4.04Å; R119-L121 PolarHBondContact O-N 3.26Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 3.47Å; L121-E123 VanDerWaalsContact O-N 3.08Å; L121-V128 HydrophobicContact CD2-CG1 3.9Å; L121-V128 HydrophobicContact CG-CG1 4.25Å
122	C	48.7	Very low	72.8	Confident	65 Å²	65	91.1 Å²	91.1	44%	0.439	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	92.7	163.1	-175.7	0	0	0	0	107.6	N120 K124 K125 E127	N120-C122 PolarHBondContact O-N 3.26Å; C122-K124 PolarHBondContact O-N 3.34Å; C122-K125 PolarHBondContact O-N 3.43Å; C122-E127 WeakPolarHBondContact CB-O 3.44Å; C122-E127 PolarHBondContact N-O 2.83Å
123	E	49.1	Very low	73.2	Confident	192 Å²	192	87.8 Å²	87.8	90%	0.897	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-18.8	-175.6	-70.7	-177.6	155.5	0	0	114.3	L121	L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 3.47Å; L121-E123 VanDerWaalsContact O-N 3.08Å
124	K	52.7	Low	73.7	Confident	194 Å²	194	94 Å²	94	84%	0.843	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.6	-173.9	-71	-175.6	177.8	177.2	0	115.6	C122	C122-K124 PolarHBondContact O-N 3.34Å
125	K	57.9	Low	74.3	Confident	150 Å²	150	95 Å²	95	65%	0.652	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.2	4.7	-175.3	-76.8	-167.4	176.1	-176.8	0	117.3	C122 E127	C122-K125 PolarHBondContact O-N 3.43Å; K125-E127 HydrophobicContact CB-CB 4.28Å; K125-E127 HydrophobicContact CB-CG 4.3Å; K125-E127 PolarHBondContact O-N 3.37Å; K125-E127 VanDerWaalsContact O-N 3.14Å
126	N	76.9	Confident	74.7	Confident	136 Å²	136	93.3 Å²	93.3	73%	0.727	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	28.3	-173.9	-130	17.7	0	0	0	112.1	P139	N126-P139 WeakPolarHBondContact O-CD 3.4Å
127	E	82.4	Confident	75.2	Confident	83 Å²	83	90.3 Å²	90.3	39%	0.388	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.3	179.8	-74.7	177.3	176.8	0	0	108.5	C122 K125 T137	C122-E127 WeakPolarHBondContact CB-O 3.44Å; C122-E127 PolarHBondContact N-O 2.83Å; K125-E127 HydrophobicContact CB-CB 4.28Å; K125-E127 HydrophobicContact CB-CG 4.3Å; K125-E127 PolarHBondContact O-N 3.37Å; K125-E127 VanDerWaalsContact O-N 3.14Å; E127-T137 WeakPolarHBondContact CA-O 3.43Å
128	V	88.6	Confident	76.4	Confident	13 Å²	13	92.6 Å²	92.6	8%	0.079	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.2	178.9	-89.1	0	0	0	0	108.1	N120 L121 S136 T137 P139 M142	N120-V128 WeakPolarHBondContact O-CG1 3.39Å; L121-V128 HydrophobicContact CD2-CG1 3.9Å; L121-V128 HydrophobicContact CG-CG1 4.25Å; V128-S136 WeakPolarHBondContact O-CA 3.29Å; V128-T137 WeakPolarHBondContact CG2-O 3.48Å; V128-T137 PolarHBondContact N-O 3.3Å; V128-T137 PolarHBondContact O-N 3.22Å; V128-P139 HydrophobicContact CG2-CB 4.34Å; V128-P139 HydrophobicContact CG2-CG 4.02Å; V128-M142 HydrophobicContact CB-CG 4.37Å; V128-M142 HydrophobicContact CG2-CE 4.44Å; V128-M142 HydrophobicContact CG2-CG 3.61Å
129	V	91.1	Very high	77.5	Confident	57 Å²	57	91.3 Å²	91.3	35%	0.345	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.1	-179.5	-180	0	0	0	0	109.1
130	C	93.2	Very high	79	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	47%	0.468	C	S	.	.			trans	-76.7	128.2	173.7	-174.4	0	0	0	0	110.9	I132 C133 F134 L135 M142 C152	C130-I132 PolarHBondContact O-N 3.14Å; C130-C133 VanDerWaalsContact CB-SG 3.5Å; C130-F134 WeakPolarHBondContact O-CA 3.38Å; C130-F134 PolarHBondContact O-N 2.96Å; C130-L135 PolarHBondContact N-O 3.36Å; C130-M142 HydrophobicContact CB-CE 3.76Å; C130-C152 HydrophobicContact CB-CB 4.21Å; C130-C152 PolarHBondContact SG-N 3.09Å; C130-C152 VanDerWaalsContact SG-N 3.43Å
131	D	90.1	Very high	80.9	Confident	74 Å²	74	88.4 Å²	88.4	40%	0.396	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.8	178.9	-65.8	-24.7	0	0	0	114	N120 F134 F151	N120-D131 PolarHBondContact ND2-OD1 2.81Å; D131-F134 WeakPolarHBondContact O-CZ 3.5Å; D131-F151 HydrophobicContact CB-CE1 4.16Å
132	I	94.1	Very high	82.8	Confident	74 Å²	74	85 Å²	85	38%	0.379	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-51.9	177.1	-65	169.2	0	0	0	111.4	C130 F151 C155 P176	C130-I132 PolarHBondContact O-N 3.14Å; I132-F151 HydrophobicContact CB-CD1 4.47Å; I132-F151 HydrophobicContact CD1-CB 3.94Å; I132-F151 HydrophobicContact CD1-CD1 3.37Å; I132-F151 HydrophobicContact CD1-CD2 4.19Å; I132-F151 HydrophobicContact CD1-CE1 3.84Å; I132-F151 HydrophobicContact CD1-CG 3.55Å; I132-F151 HydrophobicContact CD1-CZ 4.43Å; I132-F151 HydrophobicContact CG1-CD1 3.48Å; I132-F151 VanDerWaalsContact CG1-CD1 3.48Å; I132-F151 HydrophobicContact CG1-CE1 3.73Å; I132-F151 HydrophobicContact CG1-CG 4.19Å; I132-C155 HydrophobicContact CB-CB 4.13Å; I132-C155 HydrophobicContact CD1-CB 3.93Å; I132-C155 HydrophobicContact CG2-CB 4.11Å; I132-P176 HydrophobicContact CD1-CB 3.85Å; I132-P176 HydrophobicContact CD1-CG 4.42Å
133	C	95.4	Very high	84.9	Confident	45 Å²	45	84.2 Å²	84.2	30%	0.304	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-7.1	-175.9	66.9	0	0	0	0	114.3	C130 L135 C155	C130-C133 VanDerWaalsContact CB-SG 3.5Å; C133-L135 HydrophobicContact CB-CD1 4.44Å; C133-L135 HydrophobicContact CB-CG 4.26Å; C133-L135 PolarHBondContact O-N 3.45Å; C133-L135 VanDerWaalsContact O-N 3.14Å; C133-C155 VanDerWaalsContact SG-SG 3.68Å
134	F	92.9	Very high	86.9	Confident	153 Å²	153	76 Å²	76	67%	0.671	40%	0.403	S	S	*	.			trans	57	22.1	-177.3	-58.7	-80.9	0	0	0	114.8	C130 D131	C130-F134 WeakPolarHBondContact O-CA 3.38Å; C130-F134 PolarHBondContact O-N 2.96Å; D131-F134 WeakPolarHBondContact O-CZ 3.5Å
135	L	92.8	Very high	88.7	Confident	115 Å²	115	67.7 Å²	67.7	60%	0.602	37%	0.368	S	S	*	.			trans	-93.5	139.2	175.2	-57.9	178.8	0	0	0	110.9	C130 C133	C130-L135 PolarHBondContact N-O 3.36Å; C133-L135 HydrophobicContact CB-CD1 4.44Å; C133-L135 HydrophobicContact CB-CG 4.26Å; C133-L135 PolarHBondContact O-N 3.45Å; C133-L135 VanDerWaalsContact O-N 3.14Å
136	S	90.2	Very high	90.2	Very high	71 Å²	71	64.2 Å²	64.2	50%	0.497	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136	169.4	-59.4	0	0	0	0	110.8	V128	V128-S136 WeakPolarHBondContact O-CA 3.29Å
137	T	89.3	Confident	90.8	Very high	37 Å²	37	57.8 Å²	57.8	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	176.3	173.4	-166.8	0	0	0	0	110.9	E127 V128 Q141 M142 C152	E127-T137 WeakPolarHBondContact CA-O 3.43Å; V128-T137 WeakPolarHBondContact CG2-O 3.48Å; V128-T137 PolarHBondContact N-O 3.3Å; V128-T137 PolarHBondContact O-N 3.22Å; T137-Q141 HydrophobicContact CG2-CB 4.06Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.39Å; T137-M142 HydrophobicContact CG2-CE 3.14Å; T137-M142 HydrophobicContact CG2-CG 4.28Å; T137-C152 HydrophobicContact CG2-CB 4.21Å
138	T	90.3	Very high	91.2	Very high	65 Å²	65	54.8 Å²	54.8	40%	0.399	32%	0.317	S	S	.	.			trans	-76.3	149.8	177.7	59.7	0	0	0	0	110.8	S140 Q141	T138-S140 PolarHBondContact O-N 3.17Å; T138-S140 VanDerWaalsContact O-N 3.07Å; T138-S140 PolarHBondContact OG1-OG 3.33Å; T138-Q141 PolarHBondContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.28Å
139	P	87.5	Confident	91.3	Very high	57 Å²	57	55.4 Å²	55.4	37%	0.37	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54	-28.5	174.3	-28.9	34.2	0	0	0	114.3	N126 V128 Q141 M142	N126-P139 WeakPolarHBondContact O-CD 3.4Å; V128-P139 HydrophobicContact CG2-CB 4.34Å; V128-P139 HydrophobicContact CG2-CG 4.02Å; P139-Q141 VanDerWaalsContact C-N 3.25Å; P139-Q141 PolarHBondContact O-N 3.43Å; P139-M142 PolarHBondContact O-N 3.34Å
140	S	90.3	Very high	91.4	Very high	94 Å²	94	55.8 Å²	55.8	66%	0.657	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-68.7	-19.5	175.7	54.9	0	0	0	0	114.5	T138	T138-S140 PolarHBondContact O-N 3.17Å; T138-S140 VanDerWaalsContact O-N 3.07Å; T138-S140 PolarHBondContact OG1-OG 3.33Å
141	Q	92.2	Very high	91.4	Very high	84 Å²	84	56.2 Å²	56.2	39%	0.393	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-95.8	4.2	176.8	-66.5	-67.4	-44.4	0	0	112.1	T137 T138 P139 C152 L153	T137-Q141 HydrophobicContact CG2-CB 4.06Å; T137-Q141 WeakPolarHBondContact OG1-CB 3.39Å; T138-Q141 PolarHBondContact O-N 3.1Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.28Å; P139-Q141 VanDerWaalsContact C-N 3.25Å; P139-Q141 PolarHBondContact O-N 3.43Å; Q141-C152 CarbonylContact O-C 3.55Å; Q141-C152 WeakPolarHBondContact O-CA 3.38Å; Q141-L153 PolarHBondContact O-N 2.9Å
142	M	92.1	Very high	91.7	Very high	25 Å²	25	53 Å²	53	12%	0.123	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	133.9	174.1	-73.3	-73.1	154.1	0	0	110.1	V128 C130 T137 P139 Y150 F151 C152	V128-M142 HydrophobicContact CB-CG 4.37Å; V128-M142 HydrophobicContact CG2-CE 4.44Å; V128-M142 HydrophobicContact CG2-CG 3.61Å; C130-M142 HydrophobicContact CB-CE 3.76Å; T137-M142 HydrophobicContact CG2-CE 3.14Å; T137-M142 HydrophobicContact CG2-CG 4.28Å; P139-M142 PolarHBondContact O-N 3.34Å; M142-Y150 HydrophobicContact CB-CD1 4.37Å; M142-F151 WeakPolarHBondContact CA-O 3.45Å; M142-C152 HydrophobicContact CE-CB 3.71Å; M142-C152 HydrophobicContact SD-CB 4.4Å; M142-C152 PolarHBondContact SD-N 3.17Å; M142-C152 VanDerWaalsContact SD-N 3.43Å
143	F	93.5	Very high	91.7	Very high	50 Å²	50	52.1 Å²	52.1	22%	0.219	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.5	171.7	-173.1	-80.9	0	0	0	109.6	L145 Y150 F151 L153 W156 V188 M192	F143-L145 HydrophobicContact CE1-CD2 4.04Å; F143-Y150 WeakPolarHBondContact O-CA 3.12Å; F143-F151 PolarHBondContact N-O 3.38Å; F143-F151 PolarHBondContact O-N 3.5Å; F143-L153 HydrophobicContact CB-CD2 3.88Å; F143-W156 HydrophobicContact CD1-CZ2 4.48Å; F143-W156 AromaticContact CD1-NE1 3.96Å; F143-W156 PolarHBondContact O-NE1 2.85Å; F143-V188 HydrophobicContact CD1-CG1 4.42Å; F143-V188 HydrophobicContact CE1-CG1 3.47Å; F143-V188 VanDerWaalsContact CE1-CG1 3.47Å; F143-V188 HydrophobicContact CE1-CG2 4.4Å; F143-V188 HydrophobicContact CZ-CB 4.4Å; F143-V188 HydrophobicContact CZ-CG1 3.58Å; F143-V188 HydrophobicContact CZ-CG2 3.95Å; F143-M192 HydrophobicContact CB-CE 3.73Å; F143-M192 HydrophobicContact CD1-CE 2.98Å; F143-M192 HydrophobicContact CD2-CE 3.88Å; F143-M192 HydrophobicContact CE1-CE 3.4Å; F143-M192 VanDerWaalsContact CE1-CE 3.4Å; F143-M192 HydrophobicContact CE2-CE 4.22Å; F143-M192 HydrophobicContact CG-CE 3.23Å; F143-M192 HydrophobicContact CZ-CE 4.01Å
144	G	91.6	Very high	91.7	Very high	18 Å²	18	54.2 Å²	54.2	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.7	176.8	0	0	0	0	0	112.6	H149	G144-H149 WeakPolarHBondContact CA-O 3.47Å
145	L	91.1	Very high	91.8	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	28%	0.28	C	S	.	.			trans	-93.1	-178.4	176.6	-61	175.5	0	0	0	110.9	F143 C147 A148 W156 C175 I182 V184 V188	F143-L145 HydrophobicContact CE1-CD2 4.04Å; L145-C147 PolarHBondContact O-N 3.43Å; L145-C147 VanDerWaalsContact O-N 3.17Å; L145-A148 WeakPolarHBondContact O-CA 3.36Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-W156 HydrophobicContact CD1-CH2 3.76Å; L145-W156 HydrophobicContact CD1-CZ2 4.35Å; L145-W156 HydrophobicContact CD2-CH2 4.43Å; L145-W156 HydrophobicContact CG-CH2 3.95Å; L145-W156 HydrophobicContact CG-CZ2 4.11Å; L145-C175 HydrophobicContact CD1-CB 3.95Å; L145-I182 HydrophobicContact CB-CG2 4.4Å; L145-I182 HydrophobicContact CD1-CG2 3.75Å; L145-V184 HydrophobicContact CD1-CG2 4.11Å; L145-V184 HydrophobicContact CD2-CG1 4.41Å; L145-V188 HydrophobicContact CD2-CG1 4.37Å
146	S	88.3	Confident	92	Very high	77 Å²	77	42.1 Å²	42.1	54%	0.538	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	175.7	35.9	0	0	0	0	114.1	A148 I182	S146-A148 PolarHBondContact O-N 3.14Å; S146-I182 WeakPolarHBondContact OG-CD1 3.39Å
147	C	90.1	Very high	92.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-1	169.1	69.8	0	0	0	0	114.1	G117 L145 H149 C180 I182	G117-C147 PolarHBondContact N-O 2.72Å; G117-C147 VanDerWaalsContact N-O 3.15Å; L145-C147 PolarHBondContact O-N 3.43Å; L145-C147 VanDerWaalsContact O-N 3.17Å; C147-H149 PolarHBondContact O-N 2.89Å; C147-H149 PolarHBondContact SG-ND1 3.15Å; C147-C180 VanDerWaalsContact CB-SG 3.57Å; C147-C180 VanDerWaalsContact SG-SG 3.67Å; C147-I182 HydrophobicContact CB-CB 4.38Å; C147-I182 HydrophobicContact CB-CD1 4.03Å; C147-I182 HydrophobicContact CB-CG2 3.91Å
148	A	89.9	Confident	92.5	Very high	19 Å²	19	49.1 Å²	49.1	16%	0.157	27%	0.266	C	S	.	.			trans	61.4	17.6	-177.5	0	0	0	0	0	116.2	V115 G117 L145 S146 Y150	V115-A148 HydrophobicContact CG1-CB 3.56Å; G117-A148 CarbonylContact C-O 3.51Å; G117-A148 VanDerWaalsContact CA-O 3.3Å; G117-A148 WeakPolarHBondContact CA-O 2.87Å; L145-A148 WeakPolarHBondContact O-CA 3.36Å; L145-A148 PolarHBondContact O-N 2.88Å; S146-A148 PolarHBondContact O-N 3.14Å; A148-Y150 HydrophobicContact CB-CE2 4.37Å; A148-Y150 WeakPolarHBondContact O-CD2 3.38Å; A148-Y150 VanDerWaalsContact O-CE2 3.31Å; A148-Y150 WeakPolarHBondContact O-CE2 3.49Å
149	H	91.7	Very high	92.7	Very high	26 Å²	26	48.3 Å²	48.3	12%	0.12	26%	0.255	C	S	.	.			trans	-79.8	125.6	169.9	-65.9	123.9	0	0	0	109.6	G144 C147 F151 S177	G144-H149 WeakPolarHBondContact CA-O 3.47Å; C147-H149 PolarHBondContact O-N 2.89Å; C147-H149 PolarHBondContact SG-ND1 3.15Å; H149-F151 HydrophobicContact CB-CE2 3.94Å; H149-F151 HydrophobicContact CB-CZ 4.13Å; H149-S177 PolarHBondContact CE1-OG 2.96Å; H149-S177 WeakPolarHBondContact ND1-CB 3.5Å; H149-S177 PolarHBondContact NE2-OG 3.25Å
150	Y	92.3	Very high	93	Very high	65 Å²	65	45.6 Å²	45.6	26%	0.255	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.9	-177.2	-70.7	-89.3	0	0	0	111.5	R119 M142 F143 A148	R119-Y150 HydrophobicContact CG-CD2 3.75Å; R119-Y150 HydrophobicContact CG-CE2 3.61Å; R119-Y150 PolarHBondContact NE-OH 3.08Å; R119-Y150 PolarHBondContact NH2-OH 3.49Å; M142-Y150 HydrophobicContact CB-CD1 4.37Å; F143-Y150 WeakPolarHBondContact O-CA 3.12Å; A148-Y150 HydrophobicContact CB-CE2 4.37Å; A148-Y150 WeakPolarHBondContact O-CD2 3.38Å; A148-Y150 VanDerWaalsContact O-CE2 3.31Å; A148-Y150 WeakPolarHBondContact O-CE2 3.49Å
151	F	94.7	Very high	93.2	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.5	174.4	-51.5	-71.9	0	0	0	110.2	D131 I132 M142 F143 H149 W156 P176	D131-F151 HydrophobicContact CB-CE1 4.16Å; I132-F151 HydrophobicContact CB-CD1 4.47Å; I132-F151 HydrophobicContact CD1-CB 3.94Å; I132-F151 HydrophobicContact CD1-CD1 3.37Å; I132-F151 HydrophobicContact CD1-CD2 4.19Å; I132-F151 HydrophobicContact CD1-CE1 3.84Å; I132-F151 HydrophobicContact CD1-CG 3.55Å; I132-F151 HydrophobicContact CD1-CZ 4.43Å; I132-F151 HydrophobicContact CG1-CD1 3.48Å; I132-F151 VanDerWaalsContact CG1-CD1 3.48Å; I132-F151 HydrophobicContact CG1-CE1 3.73Å; I132-F151 HydrophobicContact CG1-CG 4.19Å; M142-F151 WeakPolarHBondContact CA-O 3.45Å; F143-F151 PolarHBondContact N-O 3.38Å; F143-F151 PolarHBondContact O-N 3.5Å; H149-F151 HydrophobicContact CB-CE2 3.94Å; H149-F151 HydrophobicContact CB-CZ 4.13Å; F151-W156 AromaticContact CD2-CE2 3.94Å; F151-W156 AromaticContact CD2-CZ2 3.88Å; F151-W156 HydrophobicContact CD2-CZ2 3.88Å; F151-W156 AromaticContact CD2-NE1 3.96Å; F151-W156 HydrophobicContact CE2-CZ2 4.49Å; F151-P176 HydrophobicContact CD2-CB 4.07Å; F151-P176 HydrophobicContact CD2-CG 3.85Å; F151-P176 HydrophobicContact CE2-CB 3.67Å; F151-P176 HydrophobicContact CE2-CG 3.79Å; F151-P176 HydrophobicContact CZ-CB 3.99Å
152	C	94.7	Very high	93.2	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	149.7	178.1	68	0	0	0	0	111.2	C130 T137 Q141 M142 T154 C155 W156	C130-C152 HydrophobicContact CB-CB 4.21Å; C130-C152 PolarHBondContact SG-N 3.09Å; C130-C152 VanDerWaalsContact SG-N 3.43Å; T137-C152 HydrophobicContact CG2-CB 4.21Å; Q141-C152 CarbonylContact O-C 3.55Å; Q141-C152 WeakPolarHBondContact O-CA 3.38Å; M142-C152 HydrophobicContact CE-CB 3.71Å; M142-C152 HydrophobicContact SD-CB 4.4Å; M142-C152 PolarHBondContact SD-N 3.17Å; M142-C152 VanDerWaalsContact SD-N 3.43Å; C152-T154 PolarHBondContact O-N 3.33Å; C152-T154 VanDerWaalsContact O-N 3.15Å; C152-T154 PolarHBondContact SG-OG1 2.94Å; C152-C155 PolarHBondContact O-N 3.37Å; C152-C155 PolarHBondContact SG-SG 2.91Å; C152-W156 PolarHBondContact O-N 3.29Å
153	L	94.7	Very high	93.2	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.288	23%	0.227	S	C	.	.	H	α-helix	trans	-54.5	-35.9	-178.7	-69.5	177	0	0	0	112.8	Q141 F143 W156 Q157	Q141-L153 PolarHBondContact O-N 2.9Å; F143-L153 HydrophobicContact CB-CD2 3.88Å; L153-W156 PolarHBondContact O-N 3.42Å; L153-Q157 WeakPolarHBondContact O-CB 3.44Å; L153-Q157 VanDerWaalsContact O-CG 3.28Å; L153-Q157 WeakPolarHBondContact O-CG 3.39Å; L153-Q157 PolarHBondContact O-N 3.38Å
154	T	94.9	Very high	93.1	Very high	89 Å²	89	43.3 Å²	43.3	55%	0.546	22%	0.216	S	C	.	.	H	α-helix	trans	-67.4	-38.3	178.3	56.8	0	0	0	0	112.5	C152 R158	C152-T154 PolarHBondContact O-N 3.33Å; C152-T154 VanDerWaalsContact O-N 3.15Å; C152-T154 PolarHBondContact SG-OG1 2.94Å; T154-R158 WeakPolarHBondContact O-CB 3.36Å; T154-R158 PolarHBondContact O-N 3.39Å; T154-R158 VanDerWaalsContact O-N 3.07Å
155	C	96.4	Very high	93	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.095	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-41.6	174.6	-73.8	0	0	0	0	111.3	I132 C133 C152 R158 Y159	I132-C155 HydrophobicContact CB-CB 4.13Å; I132-C155 HydrophobicContact CD1-CB 3.93Å; I132-C155 HydrophobicContact CG2-CB 4.11Å; C133-C155 VanDerWaalsContact SG-SG 3.68Å; C152-C155 PolarHBondContact O-N 3.37Å; C152-C155 PolarHBondContact SG-SG 2.91Å; C155-R158 PolarHBondContact O-N 3.26Å; C155-Y159 VanDerWaalsContact O-CB 3.23Å; C155-Y159 WeakPolarHBondContact O-CB 3.23Å; C155-Y159 PolarHBondContact O-N 3.05Å
156	W	95.3	Very high	92.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-51.4	173.1	-90	115.2	0	0	0	112.2	F143 L145 F151 C152 L153 R158 Y159 L160 P176 V184 M192	F143-W156 HydrophobicContact CD1-CZ2 4.48Å; F143-W156 AromaticContact CD1-NE1 3.96Å; F143-W156 PolarHBondContact O-NE1 2.85Å; L145-W156 HydrophobicContact CD1-CH2 3.76Å; L145-W156 HydrophobicContact CD1-CZ2 4.35Å; L145-W156 HydrophobicContact CD2-CH2 4.43Å; L145-W156 HydrophobicContact CG-CH2 3.95Å; L145-W156 HydrophobicContact CG-CZ2 4.11Å; F151-W156 AromaticContact CD2-CE2 3.94Å; F151-W156 AromaticContact CD2-CZ2 3.88Å; F151-W156 HydrophobicContact CD2-CZ2 3.88Å; F151-W156 AromaticContact CD2-NE1 3.96Å; F151-W156 HydrophobicContact CE2-CZ2 4.49Å; C152-W156 PolarHBondContact O-N 3.29Å; L153-W156 PolarHBondContact O-N 3.42Å; W156-R158 VanDerWaalsContact C-N 3.33Å; W156-R158 PolarHBondContact O-N 3.26Å; W156-Y159 HydrophobicContact CE3-CD1 4.28Å; W156-Y159 HydrophobicContact CZ3-CD1 4.26Å; W156-Y159 HydrophobicContact CZ3-CE1 4.44Å; W156-Y159 PolarHBondContact O-N 3.39Å; W156-L160 HydrophobicContact CE3-CG 4.43Å; W156-L160 WeakPolarHBondContact O-CB 3.47Å; W156-L160 WeakPolarHBondContact O-CG 3.5Å; W156-L160 PolarHBondContact O-N 2.91Å; W156-P176 HydrophobicContact CE3-CG 4.2Å; W156-P176 HydrophobicContact CH2-CG 3.84Å; W156-P176 HydrophobicContact CZ2-CG 4.28Å; W156-P176 HydrophobicContact CZ3-CG 3.8Å; W156-V184 HydrophobicContact CH2-CG2 4.2Å; W156-V184 HydrophobicContact CZ3-CG1 4.41Å; W156-V184 HydrophobicContact CZ3-CG2 3.88Å; W156-M192 HydrophobicContact CB-CE 4.01Å; W156-M192 HydrophobicContact CB-SD 3.61Å; W156-M192 HydrophobicContact CD2-CE 3.68Å; W156-M192 HydrophobicContact CD2-SD 3.76Å; W156-M192 HydrophobicContact CE3-CE 4.19Å; W156-M192 HydrophobicContact CE3-SD 3.8Å; W156-M192 HydrophobicContact CG-CE 3.58Å; W156-M192 HydrophobicContact CG-SD 3.71Å
157	Q	95.3	Very high	92.3	Very high	71 Å²	71	52 Å²	52	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-57.9	-44.9	178.8	-77.6	175.6	-18.1	0	0	112.3	L153 K161 M192	L153-Q157 WeakPolarHBondContact O-CB 3.44Å; L153-Q157 VanDerWaalsContact O-CG 3.28Å; L153-Q157 WeakPolarHBondContact O-CG 3.39Å; L153-Q157 PolarHBondContact O-N 3.38Å; Q157-K161 VanDerWaalsContact O-CB 3.3Å; Q157-K161 WeakPolarHBondContact O-CB 3.21Å; Q157-K161 PolarHBondContact O-N 3.24Å; Q157-M192 VanDerWaalsContact CG-O 3.27Å; Q157-M192 WeakPolarHBondContact CG-O 3.42Å; Q157-M192 PolarHBondContact NE2-O 3.15Å; Q157-M192 VanDerWaalsContact NE2-O 3.16Å
158	R	94.7	Very high	91	Very high	185 Å²	185	54.4 Å²	54.4	70%	0.698	26%	0.261	S	S	*	.	H	α-helix	trans	-65.8	-45.3	177.8	-174.7	173.8	-177.6	161.8	0.8	111.8	T154 C155 W156 K161 I162	T154-R158 WeakPolarHBondContact O-CB 3.36Å; T154-R158 PolarHBondContact O-N 3.39Å; T154-R158 VanDerWaalsContact O-N 3.07Å; C155-R158 PolarHBondContact O-N 3.26Å; W156-R158 VanDerWaalsContact C-N 3.33Å; W156-R158 PolarHBondContact O-N 3.26Å; R158-K161 PolarHBondContact O-N 2.91Å; R158-I162 HydrophobicContact CG-CD1 3.96Å; R158-I162 WeakPolarHBondContact O-CG1 3.12Å; R158-I162 PolarHBondContact O-N 3.08Å
159	Y	94.9	Very high	89.6	Confident	47 Å²	47	61.7 Å²	61.7	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-52.3	178.4	171.3	-105.6	0	0	0	111.5	C155 W156 K161 I162 K163 I173 Y174 P176	C155-Y159 VanDerWaalsContact O-CB 3.23Å; C155-Y159 WeakPolarHBondContact O-CB 3.23Å; C155-Y159 PolarHBondContact O-N 3.05Å; W156-Y159 HydrophobicContact CE3-CD1 4.28Å; W156-Y159 HydrophobicContact CZ3-CD1 4.26Å; W156-Y159 HydrophobicContact CZ3-CE1 4.44Å; W156-Y159 PolarHBondContact O-N 3.39Å; Y159-K161 VanDerWaalsContact C-N 3.34Å; Y159-K161 PolarHBondContact O-N 3.02Å; Y159-I162 PolarHBondContact O-N 2.88Å; Y159-K163 HydrophobicContact CD2-CG 4.14Å; Y159-K163 HydrophobicContact CE1-CG 4.14Å; Y159-K163 HydrophobicContact CE2-CD 4.19Å; Y159-K163 HydrophobicContact CE2-CG 3.68Å; Y159-K163 WeakPolarHBondContact O-CG 3Å; Y159-K163 PolarHBondContact O-N 2.77Å; Y159-I173 HydrophobicContact CE1-CG2 3.66Å; Y159-Y174 WeakPolarHBondContact CE1-O 3.33Å; Y159-Y174 PolarHBondContact OH-O 3.15Å; Y159-P176 HydrophobicContact CD1-CG 3.75Å; Y159-P176 HydrophobicContact CD2-CB 4.49Å; Y159-P176 HydrophobicContact CD2-CG 4.39Å; Y159-P176 HydrophobicContact CE1-CG 3.84Å; Y159-P176 HydrophobicContact CE2-CB 4.49Å; Y159-P176 HydrophobicContact CE2-CG 4.48Å; Y159-P176 HydrophobicContact CG-CG 4.03Å
160	L	94.3	Very high	88.3	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-44	179	-67.6	176.7	0	0	0	111.4	W156 I162 K163 I164 I173 V189 M192 I193	W156-L160 HydrophobicContact CE3-CG 4.43Å; W156-L160 WeakPolarHBondContact O-CB 3.47Å; W156-L160 WeakPolarHBondContact O-CG 3.5Å; W156-L160 PolarHBondContact O-N 2.91Å; L160-I162 PolarHBondContact O-N 3.49Å; L160-K163 PolarHBondContact O-N 2.9Å; L160-I164 HydrophobicContact CB-CD1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.48Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.03Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.38Å; L160-I173 HydrophobicContact CD2-CD1 4.12Å; L160-I173 HydrophobicContact CD2-CG2 3.87Å; L160-V189 HydrophobicContact CD1-CG1 4.37Å; L160-V189 HydrophobicContact CD2-CG1 4.4Å; L160-V189 HydrophobicContact CD2-CG2 4.1Å; L160-M192 HydrophobicContact CD1-CB 3.6Å; L160-M192 HydrophobicContact CD1-CG 4.25Å; L160-M192 HydrophobicContact CD1-SD 3.63Å; L160-I193 HydrophobicContact CB-CD1 4.41Å; L160-I193 HydrophobicContact CB-CG1 4.23Å; L160-I193 HydrophobicContact CD1-CG1 4.26Å
161	K	93.4	Very high	87.4	Confident	98 Å²	98	62.8 Å²	62.8	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-46.2	177.8	178.5	163.7	-178.9	157.7	0	112.2	Q157 R158 Y159 M165 D195 V198	Q157-K161 VanDerWaalsContact O-CB 3.3Å; Q157-K161 WeakPolarHBondContact O-CB 3.21Å; Q157-K161 PolarHBondContact O-N 3.24Å; R158-K161 PolarHBondContact O-N 2.91Å; Y159-K161 VanDerWaalsContact C-N 3.34Å; Y159-K161 PolarHBondContact O-N 3.02Å; K161-M165 HydrophobicContact CG-CG 4.32Å; K161-M165 VanDerWaalsContact O-CB 3.27Å; K161-M165 WeakPolarHBondContact O-CB 3.21Å; K161-M165 VanDerWaalsContact O-CG 3.25Å; K161-M165 WeakPolarHBondContact O-CG 3.5Å; K161-M165 PolarHBondContact O-N 3.07Å; K161-D195 IonicContact NZ-OD2 2.76Å; K161-D195 PolarHBondContact NZ-OD2 3.5Å; K161-V198 HydrophobicContact CD-CG2 4.01Å; K161-V198 HydrophobicContact CG-CG2 3.87Å
162	I	92.5	Very high	87	Confident	58 Å²	58	64.8 Å²	64.8	30%	0.297	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-50.6	177.9	-68.9	168.1	0	0	0	110.1	R158 Y159 L160 I164 M165 E166	R158-I162 HydrophobicContact CG-CD1 3.96Å; R158-I162 WeakPolarHBondContact O-CG1 3.12Å; R158-I162 PolarHBondContact O-N 3.08Å; Y159-I162 PolarHBondContact O-N 2.88Å; L160-I162 PolarHBondContact O-N 3.49Å; I162-I164 VanDerWaalsContact C-N 3.27Å; I162-I164 PolarHBondContact O-N 2.66Å; I162-M165 PolarHBondContact O-N 3.38Å; I162-E166 HydrophobicContact CG2-CB 4.5Å; I162-E166 WeakPolarHBondContact O-CB 3.31Å; I162-E166 PolarHBondContact O-N 3.24Å
163	K	91.8	Very high	86.9	Confident	50 Å²	50	64.9 Å²	64.9	22%	0.217	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-38.9	-179.9	-73.7	-57	-169.9	-172.6	0	113.1	Y159 L160 E167 I173	Y159-K163 HydrophobicContact CD2-CG 4.14Å; Y159-K163 HydrophobicContact CE1-CG 4.14Å; Y159-K163 HydrophobicContact CE2-CD 4.19Å; Y159-K163 HydrophobicContact CE2-CG 3.68Å; Y159-K163 WeakPolarHBondContact O-CG 3Å; Y159-K163 PolarHBondContact O-N 2.77Å; L160-K163 PolarHBondContact O-N 2.9Å; K163-E167 HydrophobicContact CD-CG 4.5Å; K163-E167 WeakPolarHBondContact CD-OE1 3.31Å; K163-E167 VanDerWaalsContact CD-OE2 3.26Å; K163-E167 WeakPolarHBondContact CD-OE2 3.47Å; K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.22Å; K163-E167 IonicContact NZ-OE2 3.05Å; K163-E167 PolarHBondContact NZ-OE2 3.08Å; K163-E167 CarbonylContact O-C 3.6Å; K163-E167 WeakPolarHBondContact O-CB 3.32Å; K163-E167 PolarHBondContact O-N 3.4Å; K163-I173 HydrophobicContact CB-CG2 4.48Å; K163-I173 HydrophobicContact CG-CG2 4.43Å
164	I	91.7	Very high	86.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-78.4	-43.5	-177.7	-69	161.5	0	0	0	111.5	L160 I162 I173 V189 I193 V198 H201 F202 L205	L160-I164 HydrophobicContact CB-CD1 4.32Å; L160-I164 WeakPolarHBondContact O-CB 3.48Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.03Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 3.38Å; I162-I164 VanDerWaalsContact C-N 3.27Å; I162-I164 PolarHBondContact O-N 2.66Å; I164-I173 HydrophobicContact CD1-CD1 4.08Å; I164-I173 HydrophobicContact CG1-CD1 3.75Å; I164-V189 HydrophobicContact CD1-CG1 3.93Å; I164-I193 HydrophobicContact CD1-CD1 3.25Å; I164-I193 HydrophobicContact CD1-CG1 4.43Å; I164-V198 HydrophobicContact CB-CG1 4.1Å; I164-V198 HydrophobicContact CD1-CG1 4.01Å; I164-V198 HydrophobicContact CG2-CG1 3.92Å; I164-H201 HydrophobicContact CG2-CB 3.92Å; I164-H201 PolarHBondContact O-CD2 2.98Å; I164-H201 PolarHBondContact O-NE2 3.2Å; I164-F202 HydrophobicContact CD1-CB 3.88Å; I164-F202 HydrophobicContact CD1-CD2 3.81Å; I164-F202 HydrophobicContact CD1-CG 3.96Å; I164-F202 HydrophobicContact CG1-CB 4.29Å; I164-F202 HydrophobicContact CG1-CD2 3.86Å; I164-F202 HydrophobicContact CG1-CG 4.4Å; I164-F202 HydrophobicContact CG2-CB 4Å; I164-L205 HydrophobicContact CG2-CD1 4.17Å
165	M	89.3	Confident	86.8	Confident	83 Å²	83	62.2 Å²	62.2	41%	0.409	29%	0.287	S	S	.	.	H	α-helix	trans	-87.9	-34.7	-170.4	-63.3	-62	-60.6	0	0	113.5	K161 I162 V198 H201	K161-M165 HydrophobicContact CG-CG 4.32Å; K161-M165 VanDerWaalsContact O-CB 3.27Å; K161-M165 WeakPolarHBondContact O-CB 3.21Å; K161-M165 VanDerWaalsContact O-CG 3.25Å; K161-M165 WeakPolarHBondContact O-CG 3.5Å; K161-M165 PolarHBondContact O-N 3.07Å; I162-M165 PolarHBondContact O-N 3.38Å; M165-V198 HydrophobicContact CG-CG1 4.41Å; M165-V198 HydrophobicContact CG-CG2 3.97Å; M165-V198 HydrophobicContact SD-CB 4.4Å; M165-V198 HydrophobicContact SD-CG2 4.04Å; M165-H201 HydrophobicContact SD-CB 3.84Å
166	E	86	Confident	86.6	Confident	142 Å²	142	63 Å²	63	66%	0.664	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-37.6	-174.7	-60.1	178.7	-158.7	0	0	111.2	I162 S168	I162-E166 HydrophobicContact CG2-CB 4.5Å; I162-E166 WeakPolarHBondContact O-CB 3.31Å; I162-E166 PolarHBondContact O-N 3.24Å; E166-S168 PolarHBondContact O-N 3.05Å
167	E	80.1	Confident	86.5	Confident	73 Å²	73	64.3 Å²	64.3	34%	0.341	30%	0.301	S	S	.	.			trans	-100.3	51.2	-178.8	-57.9	178.6	-150.5	0	0	111.9	K163 Q169 I170	K163-E167 HydrophobicContact CD-CG 4.5Å; K163-E167 WeakPolarHBondContact CD-OE1 3.31Å; K163-E167 VanDerWaalsContact CD-OE2 3.26Å; K163-E167 WeakPolarHBondContact CD-OE2 3.47Å; K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.22Å; K163-E167 IonicContact NZ-OE2 3.05Å; K163-E167 PolarHBondContact NZ-OE2 3.08Å; K163-E167 CarbonylContact O-C 3.6Å; K163-E167 WeakPolarHBondContact O-CB 3.32Å; K163-E167 PolarHBondContact O-N 3.4Å; E167-Q169 PolarHBondContact O-N 2.95Å; E167-I170 HydrophobicContact CB-CD1 3.64Å; E167-I170 HydrophobicContact CB-CG1 4.16Å; E167-I170 HydrophobicContact CG-CD1 4.36Å; E167-I170 WeakPolarHBondContact O-CG1 3.44Å; E167-I170 PolarHBondContact O-N 3.48Å; E167-I170 VanDerWaalsContact O-N 3.08Å; E167-I170 WeakPolarHBondContact OE2-CD1 3.34Å
168	S	62.2	Low	86	Confident	51 Å²	51	66.8 Å²	66.8	36%	0.357	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	1.2	-171.3	62.8	0	0	0	0	118.2	E166 L205	E166-S168 PolarHBondContact O-N 3.05Å; S168-L205 WeakPolarHBondContact O-CD2 3.44Å
169	Q	59.9	Low	85.7	Confident	172 Å²	172	63.6 Å²	63.6	80%	0.804	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	3.1	177.4	-65.4	-62.9	-50.6	0	0	113.1	E167	E167-Q169 PolarHBondContact O-N 2.95Å
170	I	66.1	Low	85.5	Confident	56 Å²	56	62 Å²	62	29%	0.287	32%	0.323	S	S	.	.			trans	-98	106.1	-174.7	-58.4	-176.6	0	0	0	109.8	E167 R172	E167-I170 HydrophobicContact CB-CD1 3.64Å; E167-I170 HydrophobicContact CB-CG1 4.16Å; E167-I170 HydrophobicContact CG-CD1 4.36Å; E167-I170 WeakPolarHBondContact O-CG1 3.44Å; E167-I170 PolarHBondContact O-N 3.48Å; E167-I170 VanDerWaalsContact O-N 3.08Å; E167-I170 WeakPolarHBondContact OE2-CD1 3.34Å; I170-R172 VanDerWaalsContact CG2-C 3.49Å; I170-R172 WeakPolarHBondContact CG2-O 3.36Å
171	D	72	Confident	85.3	Confident	59 Å²	59	70.2 Å²	70.2	32%	0.316	35%	0.354	S	S	.	.	S	Bend	trans	-79.7	-5.5	170.5	66.7	-28.4	0	0	0	113.1	L77	L77-D171 HydrophobicContact CD2-CB 4.45Å; L77-D171 WeakPolarHBondContact CD2-OD2 3.49Å
172	R	87.1	Confident	85.3	Confident	52 Å²	52	65.7 Å²	65.7	20%	0.196	33%	0.334	C	S	.	.			trans	-129.6	102.2	-174.1	-61.6	162.9	-160.7	-160.8	-2.2	111.5	L77 T105 I170 Y174 I183	L77-R172 HydrophobicContact CD1-CG 3.96Å; L77-R172 HydrophobicContact CD2-CG 3.64Å; L77-R172 HydrophobicContact CG-CG 4.45Å; T105-R172 PolarHBondContact O-NH1 3.09Å; T105-R172 PolarHBondContact O-NH2 3.13Å; I170-R172 VanDerWaalsContact CG2-C 3.49Å; I170-R172 WeakPolarHBondContact CG2-O 3.36Å; R172-Y174 HydrophobicContact CB-CE2 4.19Å; R172-I183 HydrophobicContact CB-CD1 4.37Å; R172-I183 HydrophobicContact CG-CD1 4.27Å
173	I	91.9	Very high	85.3	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.041	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-89.8	122.7	175.2	-57	176.5	0	0	0	108.4	Y159 L160 K163 I164 I183 V184 V189 F202	Y159-I173 HydrophobicContact CE1-CG2 3.66Å; L160-I173 HydrophobicContact CD2-CD1 4.12Å; L160-I173 HydrophobicContact CD2-CG2 3.87Å; K163-I173 HydrophobicContact CB-CG2 4.48Å; K163-I173 HydrophobicContact CG-CG2 4.43Å; I164-I173 HydrophobicContact CD1-CD1 4.08Å; I164-I173 HydrophobicContact CG1-CD1 3.75Å; I173-I183 CarbonylContact O-C 3.58Å; I173-I183 WeakPolarHBondContact O-CA 3.29Å; I173-V184 HydrophobicContact CB-CB 4.42Å; I173-V184 HydrophobicContact CB-CG2 4.33Å; I173-V184 HydrophobicContact CG2-CB 4.4Å; I173-V184 HydrophobicContact CG2-CG2 3.87Å; I173-V184 WeakPolarHBondContact O-CG2 3.37Å; I173-V184 PolarHBondContact O-N 3.01Å; I173-V189 HydrophobicContact CD1-CG2 4.43Å; I173-F202 HydrophobicContact CD1-CD2 4.25Å; I173-F202 HydrophobicContact CD1-CE2 3.85Å
174	Y	92.9	Very high	85.5	Confident	83 Å²	83	60.9 Å²	60.9	33%	0.325	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-90.9	163.9	177.8	-63.9	-78.9	0	0	0	112.3	Y159 R172 R181 I182 I183	Y159-Y174 WeakPolarHBondContact CE1-O 3.33Å; Y159-Y174 PolarHBondContact OH-O 3.15Å; R172-Y174 HydrophobicContact CB-CE2 4.19Å; Y174-R181 WeakPolarHBondContact CD1-O 3.3Å; Y174-R181 WeakPolarHBondContact CE1-O 3.47Å; Y174-I182 CarbonylContact C-O 3.52Å; Y174-I182 WeakPolarHBondContact CA-O 3.15Å; Y174-I183 HydrophobicContact CD1-CG1 3.97Å; Y174-I183 HydrophobicContact CE1-CD1 4.33Å; Y174-I183 HydrophobicContact CE1-CG1 3.73Å
175	C	94.3	Very high	85.5	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.034	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-53.5	140.5	168.7	176.4	0	0	0	0	111.6	L145 S177 C180 I182	L145-C175 HydrophobicContact CD1-CB 3.95Å; C175-S177 PolarHBondContact O-N 3.35Å; C175-S177 VanDerWaalsContact O-N 3.07Å; C175-S177 PolarHBondContact SG-N 3.47Å; C175-C180 HydrophobicContact CB-CB 3.94Å; C175-I182 HydrophobicContact CB-CG2 3.46Å; C175-I182 VanDerWaalsContact CB-CG2 3.46Å; C175-I182 PolarHBondContact N-O 3.48Å
176	P	93.7	Very high	85.7	Confident	30 Å²	30	61.4 Å²	61.4	20%	0.195	31%	0.314	C	S	.	.	S	Bend	trans	-62.6	-12.1	177.7	-23.4	31	0	0	0	115.8	I132 F151 W156 Y159	I132-P176 HydrophobicContact CD1-CB 3.85Å; I132-P176 HydrophobicContact CD1-CG 4.42Å; F151-P176 HydrophobicContact CD2-CB 4.07Å; F151-P176 HydrophobicContact CD2-CG 3.85Å; F151-P176 HydrophobicContact CE2-CB 3.67Å; F151-P176 HydrophobicContact CE2-CG 3.79Å; F151-P176 HydrophobicContact CZ-CB 3.99Å; W156-P176 HydrophobicContact CE3-CG 4.2Å; W156-P176 HydrophobicContact CH2-CG 3.84Å; W156-P176 HydrophobicContact CZ2-CG 4.28Å; W156-P176 HydrophobicContact CZ3-CG 3.8Å; Y159-P176 HydrophobicContact CD1-CG 3.75Å; Y159-P176 HydrophobicContact CD2-CB 4.49Å; Y159-P176 HydrophobicContact CD2-CG 4.39Å; Y159-P176 HydrophobicContact CE1-CG 3.84Å; Y159-P176 HydrophobicContact CE2-CB 4.49Å; Y159-P176 HydrophobicContact CE2-CG 4.48Å; Y159-P176 HydrophobicContact CG-CG 4.03Å
177	S	92.6	Very high	86	Confident	27 Å²	27	61.9 Å²	61.9	19%	0.189	32%	0.316	C	S	.	.	S	Bend	trans	-72.3	133.9	178.2	-178.1	0	0	0	0	111.4	H149 C175 T179 C180	H149-S177 PolarHBondContact CE1-OG 2.96Å; H149-S177 WeakPolarHBondContact ND1-CB 3.5Å; H149-S177 PolarHBondContact NE2-OG 3.25Å; C175-S177 PolarHBondContact O-N 3.35Å; C175-S177 VanDerWaalsContact O-N 3.07Å; C175-S177 PolarHBondContact SG-N 3.47Å; S177-T179 VanDerWaalsContact C-N 3.27Å; S177-T179 PolarHBondContact O-N 3.28Å; S177-C180 PolarHBondContact O-N 2.92Å; S177-C180 VanDerWaalsContact O-N 3.09Å
178	S	85.6	Confident	86.6	Confident	124 Å²	124	59.1 Å²	59.1	87%	0.867	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	-165.7	60	0	0	0	0	117.4
179	T	87.1	Confident	88.1	Confident	118 Å²	118	56.7 Å²	56.7	72%	0.724	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	0.1	-178.3	55.5	0	0	0	0	113.2	S177	S177-T179 VanDerWaalsContact C-N 3.27Å; S177-T179 PolarHBondContact O-N 3.28Å
180	C	91.3	Very high	89.6	Confident	14 Å²	14	50.5 Å²	50.5	10%	0.095	26%	0.258	C	S	.	.			trans	-84.3	127.8	-173.3	-165.4	0	0	0	0	110.8	C147 C175 S177 I182	C147-C180 VanDerWaalsContact CB-SG 3.57Å; C147-C180 VanDerWaalsContact SG-SG 3.67Å; C175-C180 HydrophobicContact CB-CB 3.94Å; S177-C180 PolarHBondContact O-N 2.92Å; S177-C180 VanDerWaalsContact O-N 3.09Å; C180-I182 VanDerWaalsContact SG-CG2 3.56Å
181	R	90.8	Very high	90.9	Very high	172 Å²	172	54.4 Å²	54.4	65%	0.649	28%	0.275	S	S	*	.			trans	-102.4	12.5	-179.7	-58.4	-169.2	-166.4	175.8	4.9	113.8	V108 Y174	V108-R181 HydrophobicContact CG2-CB 4.29Å; Y174-R181 WeakPolarHBondContact CD1-O 3.3Å; Y174-R181 WeakPolarHBondContact CE1-O 3.47Å
182	I	92.1	Very high	91.8	Very high	2 Å²	2	52 Å²	52	1%	0.01	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.8	134.2	177.5	-157.2	157.3	0	0	0	109.7	I113 L145 S146 C147 Y174 C175 C180	I113-I182 HydrophobicContact CD1-CB 3.66Å; I113-I182 HydrophobicContact CD1-CD1 4.26Å; I113-I182 HydrophobicContact CD1-CG1 3.84Å; L145-I182 HydrophobicContact CB-CG2 4.4Å; L145-I182 HydrophobicContact CD1-CG2 3.75Å; S146-I182 WeakPolarHBondContact OG-CD1 3.39Å; C147-I182 HydrophobicContact CB-CB 4.38Å; C147-I182 HydrophobicContact CB-CD1 4.03Å; C147-I182 HydrophobicContact CB-CG2 3.91Å; Y174-I182 CarbonylContact C-O 3.52Å; Y174-I182 WeakPolarHBondContact CA-O 3.15Å; C175-I182 HydrophobicContact CB-CG2 3.46Å; C175-I182 VanDerWaalsContact CB-CG2 3.46Å; C175-I182 PolarHBondContact N-O 3.48Å; C180-I182 VanDerWaalsContact SG-CG2 3.56Å
183	I	93.9	Very high	92	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-84.6	137.8	178.1	-62.1	179	0	0	0	108.5	T73 Y74 L77 I107 R172 I173 Y174 E185	T73-I183 HydrophobicContact CG2-CG2 4.16Å; Y74-I183 HydrophobicContact CE1-CB 4.2Å; Y74-I183 HydrophobicContact CE1-CD1 4.04Å; Y74-I183 HydrophobicContact CE1-CG1 4.29Å; Y74-I183 PolarHBondContact OH-N 3.29Å; L77-I183 HydrophobicContact CD1-CD1 3.56Å; L77-I183 HydrophobicContact CD1-CG2 4.35Å; I107-I183 HydrophobicContact CD1-CD1 4.24Å; I107-I183 HydrophobicContact CG1-CD1 4.18Å; I107-I183 HydrophobicContact CG2-CD1 3.62Å; R172-I183 HydrophobicContact CB-CD1 4.37Å; R172-I183 HydrophobicContact CG-CD1 4.27Å; I173-I183 CarbonylContact O-C 3.58Å; I173-I183 WeakPolarHBondContact O-CA 3.29Å; Y174-I183 HydrophobicContact CD1-CG1 3.97Å; Y174-I183 HydrophobicContact CE1-CD1 4.33Å; Y174-I183 HydrophobicContact CE1-CG1 3.73Å; I183-E185 PolarHBondContact O-N 3.02Å
184	V	94.2	Very high	91.9	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-72.4	121.9	171.4	-169.9	0	0	0	0	107.8	L145 W156 I173 V188 V189	L145-V184 HydrophobicContact CD1-CG2 4.11Å; L145-V184 HydrophobicContact CD2-CG1 4.41Å; W156-V184 HydrophobicContact CH2-CG2 4.2Å; W156-V184 HydrophobicContact CZ3-CG1 4.41Å; W156-V184 HydrophobicContact CZ3-CG2 3.88Å; I173-V184 HydrophobicContact CB-CB 4.42Å; I173-V184 HydrophobicContact CB-CG2 4.33Å; I173-V184 HydrophobicContact CG2-CB 4.4Å; I173-V184 HydrophobicContact CG2-CG2 3.87Å; I173-V184 WeakPolarHBondContact O-CG2 3.37Å; I173-V184 PolarHBondContact O-N 3.01Å; V184-V188 HydrophobicContact CG1-CB 4.07Å; V184-V188 HydrophobicContact CG1-CG1 3.88Å; V184-V189 HydrophobicContact CB-CG2 4.07Å; V184-V189 HydrophobicContact CG1-CG2 3.56Å
185	E	93.2	Very high	91.8	Very high	70 Å²	70	54 Å²	54	33%	0.327	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.8	178.7	-66.9	176.6	-171.1	0	0	111.9	T73 I183 E187 V188 V189	T73-E185 WeakPolarHBondContact OG1-CA 3.34Å; I183-E185 PolarHBondContact O-N 3.02Å; E185-E187 PolarHBondContact O-N 3.3Å; E185-V188 HydrophobicContact CB-CG2 4.22Å; E185-V188 WeakPolarHBondContact O-CB 3.4Å; E185-V188 PolarHBondContact O-N 2.76Å; E185-V189 WeakPolarHBondContact O-CG2 3.44Å; E185-V189 PolarHBondContact O-N 2.58Å
186	D	92.7	Very high	91.6	Very high	24 Å²	24	59 Å²	59	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-56.8	-37.3	-175.6	-63.8	-24.5	0	0	0	112	T73 R76 V189 F190 F202	T73-D186 PolarHBondContact OG1-N 2.96Å; R76-D186 IonicContact CZ-OD1 2.64Å; R76-D186 IonicContact CZ-OD2 3.44Å; R76-D186 IonicContact NE-OD1 3.62Å; R76-D186 IonicContact NE-OD2 3.44Å; R76-D186 PolarHBondContact NE-OD2 3.08Å; R76-D186 IonicContact NH2-OD1 2.74Å; R76-D186 PolarHBondContact NH2-OD1 3.07Å; R76-D186 IonicContact NH2-OD2 2.64Å; R76-D186 PolarHBondContact NH2-OD2 3.48Å; D186-V189 PolarHBondContact O-N 3.25Å; D186-F190 WeakPolarHBondContact O-CB 3.38Å; D186-F190 WeakPolarHBondContact O-CD2 3.39Å; D186-F190 PolarHBondContact O-N 3.16Å; D186-F202 HydrophobicContact CB-CE1 4.38Å
187	E	91.7	Very high	91.2	Very high	152 Å²	152	62.2 Å²	62.2	71%	0.71	33%	0.325	S	S	*	.	H	α-helix	trans	-62.7	-42.9	177	-174.7	172	-170.1	0	0	111.8	E185 V189 F190 Q191	E185-E187 PolarHBondContact O-N 3.3Å; E187-V189 VanDerWaalsContact C-N 3.34Å; E187-V189 PolarHBondContact O-N 2.96Å; E187-F190 PolarHBondContact O-N 3.14Å; E187-Q191 WeakPolarHBondContact O-CB 3.29Å; E187-Q191 PolarHBondContact O-N 3.5Å
188	V	93.5	Very high	91.1	Very high	15 Å²	15	61 Å²	61	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-43.4	175.9	175.9	0	0	0	0	110.4	F143 L145 V184 E185 F190 Q191 M192	F143-V188 HydrophobicContact CD1-CG1 4.42Å; F143-V188 HydrophobicContact CE1-CG1 3.47Å; F143-V188 VanDerWaalsContact CE1-CG1 3.47Å; F143-V188 HydrophobicContact CE1-CG2 4.4Å; F143-V188 HydrophobicContact CZ-CB 4.4Å; F143-V188 HydrophobicContact CZ-CG1 3.58Å; F143-V188 HydrophobicContact CZ-CG2 3.95Å; L145-V188 HydrophobicContact CD2-CG1 4.37Å; V184-V188 HydrophobicContact CG1-CB 4.07Å; V184-V188 HydrophobicContact CG1-CG1 3.88Å; E185-V188 HydrophobicContact CB-CG2 4.22Å; E185-V188 WeakPolarHBondContact O-CB 3.4Å; E185-V188 PolarHBondContact O-N 2.76Å; V188-F190 VanDerWaalsContact C-N 3.35Å; V188-F190 PolarHBondContact O-N 3.34Å; V188-Q191 PolarHBondContact O-N 3.47Å; V188-M192 HydrophobicContact CG1-CE 3.71Å; V188-M192 HydrophobicContact CG1-CG 4.45Å; V188-M192 HydrophobicContact CG1-SD 3.93Å; V188-M192 WeakPolarHBondContact O-CB 3.25Å; V188-M192 VanDerWaalsContact O-CG 3.31Å; V188-M192 WeakPolarHBondContact O-CG 3.48Å; V188-M192 PolarHBondContact O-N 3.47Å
189	V	94.3	Very high	91.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-47.5	176.6	-179.8	0	0	0	0	110.5	L160 I164 I173 V184 E185 D186 E187 Q191 M192 I193 F202	L160-V189 HydrophobicContact CD1-CG1 4.37Å; L160-V189 HydrophobicContact CD2-CG1 4.4Å; L160-V189 HydrophobicContact CD2-CG2 4.1Å; I164-V189 HydrophobicContact CD1-CG1 3.93Å; I173-V189 HydrophobicContact CD1-CG2 4.43Å; V184-V189 HydrophobicContact CB-CG2 4.07Å; V184-V189 HydrophobicContact CG1-CG2 3.56Å; E185-V189 WeakPolarHBondContact O-CG2 3.44Å; E185-V189 PolarHBondContact O-N 2.58Å; D186-V189 PolarHBondContact O-N 3.25Å; E187-V189 VanDerWaalsContact C-N 3.34Å; E187-V189 PolarHBondContact O-N 2.96Å; V189-Q191 VanDerWaalsContact C-N 3.35Å; V189-Q191 PolarHBondContact O-N 3.12Å; V189-M192 PolarHBondContact O-N 3.4Å; V189-I193 HydrophobicContact CG1-CD1 3.36Å; V189-I193 HydrophobicContact CG1-CG1 4.36Å; V189-I193 WeakPolarHBondContact O-CD1 3.37Å; V189-I193 VanDerWaalsContact O-CG1 3.28Å; V189-I193 WeakPolarHBondContact O-CG1 3.48Å; V189-I193 PolarHBondContact O-N 3.13Å; V189-I193 VanDerWaalsContact O-N 3.11Å; V189-F202 HydrophobicContact CB-CD1 4.27Å; V189-F202 HydrophobicContact CB-CE1 3.66Å; V189-F202 HydrophobicContact CB-CE2 4.5Å; V189-F202 HydrophobicContact CB-CZ 3.79Å; V189-F202 HydrophobicContact CG1-CD1 3.58Å; V189-F202 HydrophobicContact CG1-CD2 4.04Å; V189-F202 HydrophobicContact CG1-CE1 3.43Å; V189-F202 VanDerWaalsContact CG1-CE1 3.43Å; V189-F202 HydrophobicContact CG1-CE2 3.9Å; V189-F202 HydrophobicContact CG1-CG 3.89Å; V189-F202 HydrophobicContact CG1-CZ 3.6Å; V189-F202 HydrophobicContact CG2-CE1 4.33Å; V189-F202 HydrophobicContact CG2-CE2 4.49Å; V189-F202 HydrophobicContact CG2-CZ 3.94Å
190	F	91.9	Very high	91.1	Very high	41 Å²	41	58.2 Å²	58.2	18%	0.18	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-30.8	178.8	-80.7	-52.7	0	0	0	114.2	D186 E187 V188 R199 F202 H203 I206	D186-F190 WeakPolarHBondContact O-CB 3.38Å; D186-F190 WeakPolarHBondContact O-CD2 3.39Å; D186-F190 PolarHBondContact O-N 3.16Å; E187-F190 PolarHBondContact O-N 3.14Å; V188-F190 VanDerWaalsContact C-N 3.35Å; V188-F190 PolarHBondContact O-N 3.34Å; F190-R199 HydrophobicContact CD1-CG 3.86Å; F190-R199 VanDerWaalsContact CD1-CZ 3.49Å; F190-R199 HydrophobicContact CE1-CG 3.85Å; F190-F202 HydrophobicContact CD1-CD1 4.2Å; F190-F202 HydrophobicContact CD2-CE1 4.29Å; F190-F202 AromaticContact CE1-CD1 3.78Å; F190-F202 HydrophobicContact CE1-CD1 3.78Å; F190-F202 HydrophobicContact CE1-CE1 4.45Å; F190-F202 HydrophobicContact CE2-CD1 4.1Å; F190-F202 AromaticContact CE2-CE1 3.98Å; F190-F202 HydrophobicContact CE2-CE1 3.98Å; F190-F202 AromaticContact CZ-CD1 3.71Å; F190-F202 HydrophobicContact CZ-CD1 3.71Å; F190-F202 HydrophobicContact CZ-CE1 4.08Å; F190-H203 HydrophobicContact CZ-CB 4.42Å; F190-I206 HydrophobicContact CE2-CD1 3.85Å; F190-I206 HydrophobicContact CZ-CD1 3.91Å
191	Q	92.6	Very high	90.9	Very high	138 Å²	138	60.3 Å²	60.3	65%	0.645	28%	0.284	S	S	*	.	H	α-helix	trans	-70.9	-37.5	175.1	-176.2	-176.3	2.7	0	0	111.7	E187 V188 V189	E187-Q191 WeakPolarHBondContact O-CB 3.29Å; E187-Q191 PolarHBondContact O-N 3.5Å; V188-Q191 PolarHBondContact O-N 3.47Å; V189-Q191 VanDerWaalsContact C-N 3.35Å; V189-Q191 PolarHBondContact O-N 3.12Å
192	M	91.8	Very high	90.9	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-80.6	-36.2	-175.4	-72.7	-179.6	171.7	0	0	113.5	F143 W156 Q157 L160 V188 V189 T194	F143-M192 HydrophobicContact CB-CE 3.73Å; F143-M192 HydrophobicContact CD1-CE 2.98Å; F143-M192 HydrophobicContact CD2-CE 3.88Å; F143-M192 HydrophobicContact CE1-CE 3.4Å; F143-M192 VanDerWaalsContact CE1-CE 3.4Å; F143-M192 HydrophobicContact CE2-CE 4.22Å; F143-M192 HydrophobicContact CG-CE 3.23Å; F143-M192 HydrophobicContact CZ-CE 4.01Å; W156-M192 HydrophobicContact CB-CE 4.01Å; W156-M192 HydrophobicContact CB-SD 3.61Å; W156-M192 HydrophobicContact CD2-CE 3.68Å; W156-M192 HydrophobicContact CD2-SD 3.76Å; W156-M192 HydrophobicContact CE3-CE 4.19Å; W156-M192 HydrophobicContact CE3-SD 3.8Å; W156-M192 HydrophobicContact CG-CE 3.58Å; W156-M192 HydrophobicContact CG-SD 3.71Å; Q157-M192 VanDerWaalsContact CG-O 3.27Å; Q157-M192 WeakPolarHBondContact CG-O 3.42Å; Q157-M192 PolarHBondContact NE2-O 3.15Å; Q157-M192 VanDerWaalsContact NE2-O 3.16Å; L160-M192 HydrophobicContact CD1-CB 3.6Å; L160-M192 HydrophobicContact CD1-CG 4.25Å; L160-M192 HydrophobicContact CD1-SD 3.63Å; V188-M192 HydrophobicContact CG1-CE 3.71Å; V188-M192 HydrophobicContact CG1-CG 4.45Å; V188-M192 HydrophobicContact CG1-SD 3.93Å; V188-M192 WeakPolarHBondContact O-CB 3.25Å; V188-M192 VanDerWaalsContact O-CG 3.31Å; V188-M192 WeakPolarHBondContact O-CG 3.48Å; V188-M192 PolarHBondContact O-N 3.47Å; V189-M192 PolarHBondContact O-N 3.4Å; M192-T194 PolarHBondContact O-N 2.99Å
193	I	91	Very high	90.7	Very high	16 Å²	16	52.9 Å²	52.9	8%	0.082	26%	0.257	C	S	.	.			trans	-78.8	117.8	-174.9	-63.7	164	0	0	0	110.8	L160 I164 V189 D195 V198 R199	L160-I193 HydrophobicContact CB-CD1 4.41Å; L160-I193 HydrophobicContact CB-CG1 4.23Å; L160-I193 HydrophobicContact CD1-CG1 4.26Å; I164-I193 HydrophobicContact CD1-CD1 3.25Å; I164-I193 HydrophobicContact CD1-CG1 4.43Å; V189-I193 HydrophobicContact CG1-CD1 3.36Å; V189-I193 HydrophobicContact CG1-CG1 4.36Å; V189-I193 WeakPolarHBondContact O-CD1 3.37Å; V189-I193 VanDerWaalsContact O-CG1 3.28Å; V189-I193 WeakPolarHBondContact O-CG1 3.48Å; V189-I193 PolarHBondContact O-N 3.13Å; V189-I193 VanDerWaalsContact O-N 3.11Å; I193-D195 WeakPolarHBondContact CG2-O 3.2Å; I193-V198 HydrophobicContact CD1-CG1 4.01Å; I193-V198 HydrophobicContact CG1-CG1 4.35Å; I193-V198 HydrophobicContact CG2-CB 3.7Å; I193-V198 HydrophobicContact CG2-CG1 3.76Å; I193-R199 HydrophobicContact CG2-CB 4.26Å
194	T	89.4	Confident	90.4	Very high	116 Å²	116	56.9 Å²	56.9	71%	0.712	27%	0.274	S	S	*	.			trans	-94.6	-25.9	176.3	53.5	0	0	0	0	113.4	M192 Q196	M192-T194 PolarHBondContact O-N 2.99Å; T194-Q196 PolarHBondContact O-N 2.86Å
195	D	91	Very high	90.1	Very high	53 Å²	53	58.1 Å²	58.1	28%	0.283	28%	0.28	S	S	.	.			trans	-75.7	115.9	-179.1	-175.1	-25.9	0	0	0	110.7	K161 I193 N197 V198 R199	K161-D195 IonicContact NZ-OD2 2.76Å; K161-D195 PolarHBondContact NZ-OD2 3.5Å; I193-D195 WeakPolarHBondContact CG2-O 3.2Å; D195-N197 PolarHBondContact O-N 3.04Å; D195-N197 WeakPolarHBondContact OD1-CB 3.36Å; D195-N197 PolarHBondContact OD1-N 2.98Å; D195-V198 HydrophobicContact CB-CB 4.13Å; D195-V198 HydrophobicContact CB-CG2 3.73Å; D195-V198 PolarHBondContact O-N 2.86Å; D195-V198 VanDerWaalsContact O-N 3.15Å; D195-R199 PolarHBondContact O-N 3.38Å
196	Q	88.5	Confident	90	Very high	111 Å²	111	55.2 Å²	55.2	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-28.7	-176.1	-171.2	62.5	9.3	0	0	113	T194 K200	T194-Q196 PolarHBondContact O-N 2.86Å; Q196-K200 VanDerWaalsContact O-CG 3.3Å; Q196-K200 WeakPolarHBondContact O-CG 3.3Å; Q196-K200 PolarHBondContact O-N 3.13Å
197	N	86.8	Confident	89.9	Confident	98 Å²	98	54.1 Å²	54.1	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-72.2	-41.7	177	-69.6	-32.5	0	0	0	111.1	D195 R199 K200 H201	D195-N197 PolarHBondContact O-N 3.04Å; D195-N197 WeakPolarHBondContact OD1-CB 3.36Å; D195-N197 PolarHBondContact OD1-N 2.98Å; N197-R199 VanDerWaalsContact C-N 3.33Å; N197-K200 PolarHBondContact O-N 3.34Å; N197-H201 PolarHBondContact O-N 3.44Å
198	V	89.5	Confident	89.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-42.5	174.9	-176	0	0	0	0	109.9	K161 I164 M165 I193 D195 K200 H201 F202	K161-V198 HydrophobicContact CD-CG2 4.01Å; K161-V198 HydrophobicContact CG-CG2 3.87Å; I164-V198 HydrophobicContact CB-CG1 4.1Å; I164-V198 HydrophobicContact CD1-CG1 4.01Å; I164-V198 HydrophobicContact CG2-CG1 3.92Å; M165-V198 HydrophobicContact CG-CG1 4.41Å; M165-V198 HydrophobicContact CG-CG2 3.97Å; M165-V198 HydrophobicContact SD-CB 4.4Å; M165-V198 HydrophobicContact SD-CG2 4.04Å; I193-V198 HydrophobicContact CD1-CG1 4.01Å; I193-V198 HydrophobicContact CG1-CG1 4.35Å; I193-V198 HydrophobicContact CG2-CB 3.7Å; I193-V198 HydrophobicContact CG2-CG1 3.76Å; D195-V198 HydrophobicContact CB-CB 4.13Å; D195-V198 HydrophobicContact CB-CG2 3.73Å; D195-V198 PolarHBondContact O-N 2.86Å; D195-V198 VanDerWaalsContact O-N 3.15Å; V198-K200 PolarHBondContact O-N 3.32Å; V198-H201 PolarHBondContact O-N 2.76Å; V198-F202 PolarHBondContact O-N 3.48Å
199	R	89.5	Confident	89.8	Confident	86 Å²	86	49.5 Å²	49.5	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-44.6	175.9	-174.4	178	167.1	90.1	10.3	112.2	F190 I193 D195 N197 H203	F190-R199 HydrophobicContact CD1-CG 3.86Å; F190-R199 VanDerWaalsContact CD1-CZ 3.49Å; F190-R199 HydrophobicContact CE1-CG 3.85Å; I193-R199 HydrophobicContact CG2-CB 4.26Å; D195-R199 PolarHBondContact O-N 3.38Å; N197-R199 VanDerWaalsContact C-N 3.33Å; R199-H203 WeakPolarHBondContact O-CB 3.46Å; R199-H203 PolarHBondContact O-N 3.38Å
200	K	84.2	Confident	89.9	Confident	97 Å²	97	49.9 Å²	49.9	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-41.4	174.8	-75.8	175.1	179.7	-176.3	0	112	Q196 N197 V198 H203 K204	Q196-K200 VanDerWaalsContact O-CG 3.3Å; Q196-K200 WeakPolarHBondContact O-CG 3.3Å; Q196-K200 PolarHBondContact O-N 3.13Å; N197-K200 PolarHBondContact O-N 3.34Å; V198-K200 PolarHBondContact O-N 3.32Å; K200-H203 PolarHBondContact O-N 3.47Å; K200-K204 PolarHBondContact O-N 3.05Å
201	H	87.3	Confident	90	Very high	58 Å²	58	48.1 Å²	48.1	27%	0.269	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-46.6	179.3	-158.8	87.3	0	0	0	111.2	I164 M165 N197 V198 H203 K204 L205	I164-H201 HydrophobicContact CG2-CB 3.92Å; I164-H201 PolarHBondContact O-CD2 2.98Å; I164-H201 PolarHBondContact O-NE2 3.2Å; M165-H201 HydrophobicContact SD-CB 3.84Å; N197-H201 PolarHBondContact O-N 3.44Å; V198-H201 PolarHBondContact O-N 2.76Å; H201-H203 VanDerWaalsContact C-N 3.34Å; H201-H203 PolarHBondContact O-N 3.41Å; H201-K204 WeakPolarHBondContact O-CB 3.46Å; H201-K204 PolarHBondContact O-N 3.42Å; H201-K204 VanDerWaalsContact O-N 3.08Å; H201-L205 WeakPolarHBondContact O-CG 3.41Å; H201-L205 PolarHBondContact O-N 3.38Å
202	F	89.7	Confident	89.9	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.7	-174.9	-118.5	0	0	0	112.4	I164 I173 D186 V189 F190 V198 K204 L205 I206	I164-F202 HydrophobicContact CD1-CB 3.88Å; I164-F202 HydrophobicContact CD1-CD2 3.81Å; I164-F202 HydrophobicContact CD1-CG 3.96Å; I164-F202 HydrophobicContact CG1-CB 4.29Å; I164-F202 HydrophobicContact CG1-CD2 3.86Å; I164-F202 HydrophobicContact CG1-CG 4.4Å; I164-F202 HydrophobicContact CG2-CB 4Å; I173-F202 HydrophobicContact CD1-CD2 4.25Å; I173-F202 HydrophobicContact CD1-CE2 3.85Å; D186-F202 HydrophobicContact CB-CE1 4.38Å; V189-F202 HydrophobicContact CB-CD1 4.27Å; V189-F202 HydrophobicContact CB-CE1 3.66Å; V189-F202 HydrophobicContact CB-CE2 4.5Å; V189-F202 HydrophobicContact CB-CZ 3.79Å; V189-F202 HydrophobicContact CG1-CD1 3.58Å; V189-F202 HydrophobicContact CG1-CD2 4.04Å; V189-F202 HydrophobicContact CG1-CE1 3.43Å; V189-F202 VanDerWaalsContact CG1-CE1 3.43Å; V189-F202 HydrophobicContact CG1-CE2 3.9Å; V189-F202 HydrophobicContact CG1-CG 3.89Å; V189-F202 HydrophobicContact CG1-CZ 3.6Å; V189-F202 HydrophobicContact CG2-CE1 4.33Å; V189-F202 HydrophobicContact CG2-CE2 4.49Å; V189-F202 HydrophobicContact CG2-CZ 3.94Å; F190-F202 HydrophobicContact CD1-CD1 4.2Å; F190-F202 HydrophobicContact CD2-CE1 4.29Å; F190-F202 AromaticContact CE1-CD1 3.78Å; F190-F202 HydrophobicContact CE1-CD1 3.78Å; F190-F202 HydrophobicContact CE1-CE1 4.45Å; F190-F202 HydrophobicContact CE2-CD1 4.1Å; F190-F202 AromaticContact CE2-CE1 3.98Å; F190-F202 HydrophobicContact CE2-CE1 3.98Å; F190-F202 AromaticContact CZ-CD1 3.71Å; F190-F202 HydrophobicContact CZ-CD1 3.71Å; F190-F202 HydrophobicContact CZ-CE1 4.08Å; V198-F202 PolarHBondContact O-N 3.48Å; F202-K204 VanDerWaalsContact C-N 3.28Å; F202-K204 PolarHBondContact O-N 3.28Å; F202-L205 WeakPolarHBondContact O-CB 2.93Å; F202-L205 PolarHBondContact O-N 3.49Å; F202-L205 VanDerWaalsContact O-N 3.09Å; F202-I206 HydrophobicContact CD2-CG2 4.21Å; F202-I206 HydrophobicContact CE1-CD1 4.39Å; F202-I206 HydrophobicContact CE1-CG2 4.01Å; F202-I206 HydrophobicContact CE2-CG2 3.68Å; F202-I206 HydrophobicContact CZ-CG2 3.57Å; F202-I206 PolarHBondContact O-N 2.88Å
203	H	88.5	Confident	90	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-44.6	173.8	-175.8	-62.6	0	0	0	111.7	P50 S54 F190 R199 K200 H201 L205 I206 S207	P50-H203 VanDerWaalsContact C-CE1 3.48Å; P50-H203 VanDerWaalsContact CA-CE1 3.48Å; P50-H203 WeakPolarHBondContact CA-CE1 3.37Å; P50-H203 PolarHBondContact O-CE1 3.4Å; P50-H203 PolarHBondContact O-NE2 3.34Å; S54-H203 PolarHBondContact OG-CD2 2.79Å; S54-H203 VanDerWaalsContact OG-CD2 3.24Å; S54-H203 PolarHBondContact OG-NE2 2.69Å; F190-H203 HydrophobicContact CZ-CB 4.42Å; R199-H203 WeakPolarHBondContact O-CB 3.46Å; R199-H203 PolarHBondContact O-N 3.38Å; K200-H203 PolarHBondContact O-N 3.47Å; H201-H203 VanDerWaalsContact C-N 3.34Å; H201-H203 PolarHBondContact O-N 3.41Å; H203-L205 VanDerWaalsContact C-N 3.34Å; H203-L205 PolarHBondContact O-N 3.27Å; H203-I206 WeakPolarHBondContact O-CG1 3.25Å; H203-S207 PolarHBondContact CE1-OG 3.46Å; H203-S207 WeakPolarHBondContact O-CB 3.3Å; H203-S207 PolarHBondContact O-N 2.89Å; H203-S207 VanDerWaalsContact O-N 3.12Å; H203-S207 PolarHBondContact O-OG 3.07Å; H203-S207 VanDerWaalsContact O-OG 3.1Å
204	K	87.2	Confident	90.1	Very high	90 Å²	90	52.2 Å²	52.2	39%	0.391	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-42.6	176.5	-172.4	175.3	179.8	177.7	0	111.1	K200 H201 F202 S207 S208 W219	K200-K204 PolarHBondContact O-N 3.05Å; H201-K204 WeakPolarHBondContact O-CB 3.46Å; H201-K204 PolarHBondContact O-N 3.42Å; H201-K204 VanDerWaalsContact O-N 3.08Å; F202-K204 VanDerWaalsContact C-N 3.28Å; F202-K204 PolarHBondContact O-N 3.28Å; K204-S207 PolarHBondContact O-N 3.37Å; K204-S208 WeakPolarHBondContact O-CB 3.43Å; K204-S208 PolarHBondContact O-N 2.96Å; K204-S208 PolarHBondContact O-OG 3.34Å; K204-W219 HydrophobicContact CG-CH2 4.28Å; K204-W219 HydrophobicContact CG-CZ2 4.23Å
205	L	88.4	Confident	90.2	Very high	28 Å²	28	56.6 Å²	56.6	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-53.9	178.3	-67	175.8	0	0	0	111.6	I164 S168 H201 F202 H203 S207 S208	I164-L205 HydrophobicContact CG2-CD1 4.17Å; S168-L205 WeakPolarHBondContact O-CD2 3.44Å; H201-L205 WeakPolarHBondContact O-CG 3.41Å; H201-L205 PolarHBondContact O-N 3.38Å; F202-L205 WeakPolarHBondContact O-CB 2.93Å; F202-L205 PolarHBondContact O-N 3.49Å; F202-L205 VanDerWaalsContact O-N 3.09Å; H203-L205 VanDerWaalsContact C-N 3.34Å; H203-L205 PolarHBondContact O-N 3.27Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.5Å; L205-S208 PolarHBondContact O-N 3.48Å
206	I	90.7	Very high	90.3	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-67.2	-30.8	-176.1	66.6	176.1	0	0	0	113	M57 F190 F202 H203	M57-I206 VanDerWaalsContact CE-O 3.29Å; M57-I206 WeakPolarHBondContact CE-O 3.27Å; F190-I206 HydrophobicContact CE2-CD1 3.85Å; F190-I206 HydrophobicContact CZ-CD1 3.91Å; F202-I206 HydrophobicContact CD2-CG2 4.21Å; F202-I206 HydrophobicContact CE1-CD1 4.39Å; F202-I206 HydrophobicContact CE1-CG2 4.01Å; F202-I206 HydrophobicContact CE2-CG2 3.68Å; F202-I206 HydrophobicContact CZ-CG2 3.57Å; F202-I206 PolarHBondContact O-N 2.88Å; H203-I206 WeakPolarHBondContact O-CG1 3.25Å
207	S	91.6	Very high	90.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-88.3	-10.2	178.9	-55.9	0	0	0	0	114	M57 H203 K204 L205 S209 F210 V211	M57-S207 VanDerWaalsContact SD-CA 3.57Å; M57-S207 VanDerWaalsContact SD-CB 3.51Å; M57-S207 PolarHBondContact SD-OG 2.77Å; H203-S207 PolarHBondContact CE1-OG 3.46Å; H203-S207 WeakPolarHBondContact O-CB 3.3Å; H203-S207 PolarHBondContact O-N 2.89Å; H203-S207 VanDerWaalsContact O-N 3.12Å; H203-S207 PolarHBondContact O-OG 3.07Å; H203-S207 VanDerWaalsContact O-OG 3.1Å; K204-S207 PolarHBondContact O-N 3.37Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.5Å; S207-S209 PolarHBondContact O-N 2.92Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 3.15Å; S207-F210 VanDerWaalsContact O-N 3.16Å; S207-V211 PolarHBondContact O-N 2.91Å; S207-V211 VanDerWaalsContact O-N 3.14Å
208	S	90.6	Very high	90.9	Very high	43 Å²	43	46.1 Å²	46.1	30%	0.301	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-42.1	-172.5	-78.3	0	0	0	0	112.7	K204 L205 F210 V211 L212	K204-S208 WeakPolarHBondContact O-CB 3.43Å; K204-S208 PolarHBondContact O-N 2.96Å; K204-S208 PolarHBondContact O-OG 3.34Å; L205-S208 PolarHBondContact O-N 3.48Å; S208-F210 VanDerWaalsContact C-N 3.33Å; S208-F210 PolarHBondContact O-N 3.22Å; S208-V211 PolarHBondContact O-N 3.01Å; S208-L212 VanDerWaalsContact O-CB 3.29Å; S208-L212 WeakPolarHBondContact O-CB 3.36Å; S208-L212 PolarHBondContact O-N 3.16Å
209	S	92.6	Very high	91.1	Very high	27 Å²	27	47.9 Å²	47.9	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-40.4	176.1	174.5	0	0	0	0	111.9	A80 W84 S207 L212 H213	A80-S209 WeakPolarHBondContact CB-OG 3.31Å; W84-S209 PolarHBondContact NE1-OG 3.04Å; W84-S209 VanDerWaalsContact NE1-OG 3.13Å; S207-S209 PolarHBondContact O-N 2.92Å; S209-L212 PolarHBondContact O-N 2.97Å; S209-H213 PolarHBondContact O-N 3.39Å; S209-H213 VanDerWaalsContact O-N 3.11Å; S209-H213 PolarHBondContact O-ND1 3.07Å; S209-H213 PolarHBondContact OG-ND1 3.42Å
210	F	94.7	Very high	91.4	Very high	9 Å²	9	44 Å²	44	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-47.5	179.9	179.2	-118	0	0	0	111.8	L53 L56 M57 I60 W84 S207 S208 N214 L217	L53-F210 HydrophobicContact CD1-CD1 3.74Å; L53-F210 HydrophobicContact CD1-CE1 3.78Å; L53-F210 HydrophobicContact CG-CD1 4.4Å; L56-F210 HydrophobicContact CB-CE1 4.12Å; L56-F210 HydrophobicContact CB-CZ 4.22Å; M57-F210 HydrophobicContact CE-CB 4.4Å; M57-F210 HydrophobicContact CG-CB 3.85Å; M57-F210 HydrophobicContact CG-CD1 3.42Å; M57-F210 VanDerWaalsContact CG-CD1 3.42Å; M57-F210 HydrophobicContact CG-CD2 4.13Å; M57-F210 HydrophobicContact CG-CE1 3.93Å; M57-F210 HydrophobicContact CG-CG 3.53Å; M57-F210 HydrophobicContact CG-CZ 4.47Å; M57-F210 HydrophobicContact SD-CB 3.94Å; M57-F210 HydrophobicContact SD-CD1 4.06Å; M57-F210 HydrophobicContact SD-CG 4.2Å; I60-F210 HydrophobicContact CD1-CE2 3.59Å; I60-F210 HydrophobicContact CD1-CZ 4.06Å; W84-F210 HydrophobicContact CB-CD2 4.32Å; W84-F210 HydrophobicContact CD2-CB 4.07Å; W84-F210 AromaticContact CD2-CD2 3.52Å; W84-F210 HydrophobicContact CD2-CD2 3.52Å; W84-F210 HydrophobicContact CD2-CE2 4.45Å; W84-F210 HydrophobicContact CD2-CG 4.25Å; W84-F210 AromaticContact CE2-CD2 4Å; W84-F210 AromaticContact CE3-CD2 3.59Å; W84-F210 HydrophobicContact CE3-CD2 3.59Å; W84-F210 HydrophobicContact CE3-CE2 4.19Å; W84-F210 HydrophobicContact CE3-CG 4.44Å; W84-F210 AromaticContact CG-CD2 3.84Å; W84-F210 HydrophobicContact CG-CD2 3.84Å; W84-F210 HydrophobicContact CH2-CB 4.3Å; W84-F210 HydrophobicContact CZ2-CB 3.75Å; W84-F210 HydrophobicContact CZ2-CD2 4.48Å; W84-F210 HydrophobicContact CZ2-CG 4.48Å; W84-F210 HydrophobicContact CZ3-CD2 4.1Å; W84-F210 VanDerWaalsContact NE1-CA 3.33Å; W84-F210 VanDerWaalsContact NE1-N 3.19Å; S207-F210 WeakPolarHBondContact O-CB 3.42Å; S207-F210 PolarHBondContact O-N 3.15Å; S207-F210 VanDerWaalsContact O-N 3.16Å; S208-F210 VanDerWaalsContact C-N 3.33Å; S208-F210 PolarHBondContact O-N 3.22Å; F210-N214 VanDerWaalsContact O-CB 3.3Å; F210-N214 WeakPolarHBondContact O-CB 3.28Å; F210-N214 PolarHBondContact O-N 2.91Å; F210-N214 VanDerWaalsContact O-N 3.14Å; F210-L217 HydrophobicContact CD1-CD1 3.98Å; F210-L217 HydrophobicContact CE1-CD1 3.57Å; F210-L217 HydrophobicContact CZ-CD1 4.2Å
211	V	94.1	Very high	91.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-39.7	178.1	174.7	0	0	0	0	111.3	L53 S207 S208 H213 N214 L217 W219 A228	L53-V211 HydrophobicContact CD1-CG2 3.94Å; L53-V211 HydrophobicContact CD2-CG2 3.68Å; L53-V211 HydrophobicContact CG-CG2 4.39Å; S207-V211 PolarHBondContact O-N 2.91Å; S207-V211 VanDerWaalsContact O-N 3.14Å; S208-V211 PolarHBondContact O-N 3.01Å; V211-H213 PolarHBondContact O-N 3.03Å; V211-N214 PolarHBondContact O-N 2.84Å; V211-L217 HydrophobicContact CB-CB 4.43Å; V211-L217 HydrophobicContact CG1-CB 3.98Å; V211-L217 HydrophobicContact CG2-CD1 4.38Å; V211-W219 HydrophobicContact CB-CZ2 4.16Å; V211-W219 HydrophobicContact CG1-CD2 4.23Å; V211-W219 HydrophobicContact CG1-CG 4Å; V211-W219 HydrophobicContact CG2-CD2 4.31Å; V211-W219 HydrophobicContact CG2-CH2 4.21Å; V211-W219 HydrophobicContact CG2-CZ2 3.6Å; V211-A228 HydrophobicContact CG2-CB 4.35Å
212	L	91.8	Very high	91.9	Very high	123 Å²	123	39.8 Å²	39.8	64%	0.644	20%	0.2	S	C	*	.	H	α-helix	trans	-61.5	-42.5	-179.5	178.9	63.2	0	0	0	112.5	S208 S209	S208-L212 VanDerWaalsContact O-CB 3.29Å; S208-L212 WeakPolarHBondContact O-CB 3.36Å; S208-L212 PolarHBondContact O-N 3.16Å; S209-L212 PolarHBondContact O-N 2.97Å
213	H	92.6	Very high	91.6	Very high	73 Å²	73	45.7 Å²	45.7	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-88.4	-10.7	-175.7	-62.6	105.4	0	0	0	113.6	K83 S209 V211	K83-H213 HydrophobicContact CB-CB 4.23Å; K83-H213 WeakPolarHBondContact O-CB 3.43Å; S209-H213 PolarHBondContact O-N 3.39Å; S209-H213 VanDerWaalsContact O-N 3.11Å; S209-H213 PolarHBondContact O-ND1 3.07Å; S209-H213 PolarHBondContact OG-ND1 3.42Å; V211-H213 PolarHBondContact O-N 3.03Å
214	N	92.9	Very high	91.3	Very high	51 Å²	51	51.7 Å²	51.7	27%	0.273	27%	0.27	S	S	.	.			trans	-91.9	111.9	174.9	-169.7	-30.1	0	0	0	110.9	F210 V211 A216 L217	F210-N214 VanDerWaalsContact O-CB 3.3Å; F210-N214 WeakPolarHBondContact O-CB 3.28Å; F210-N214 PolarHBondContact O-N 2.91Å; F210-N214 VanDerWaalsContact O-N 3.14Å; V211-N214 PolarHBondContact O-N 2.84Å; N214-A216 PolarHBondContact O-N 3.14Å; N214-A216 VanDerWaalsContact O-N 3.13Å; N214-A216 WeakPolarHBondContact OD1-CB 3.41Å; N214-A216 PolarHBondContact OD1-N 3.18Å; N214-L217 HydrophobicContact CB-CB 4.07Å; N214-L217 HydrophobicContact CB-CD1 3.81Å; N214-L217 HydrophobicContact CB-CG 3.94Å; N214-L217 PolarHBondContact O-N 3.05Å
215	R	91.8	Very high	91.4	Very high	208 Å²	208	47.8 Å²	47.8	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.8	-179.3	68.8	-178.3	-179.4	-165.6	-1.1	114.2	L217	R215-L217 VanDerWaalsContact C-N 3.34Å
216	A	93.5	Very high	91.2	Very high	27 Å²	27	47.4 Å²	47.4	22%	0.223	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.2	-179.8	0	0	0	0	0	112.7	N214 R230 C231 F251	N214-A216 PolarHBondContact O-N 3.14Å; N214-A216 VanDerWaalsContact O-N 3.13Å; N214-A216 WeakPolarHBondContact OD1-CB 3.41Å; N214-A216 PolarHBondContact OD1-N 3.18Å; A216-R230 CarbonylContact O-C 3.5Å; A216-R230 VanDerWaalsContact O-CA 3.26Å; A216-R230 WeakPolarHBondContact O-CA 3.5Å; A216-C231 WeakPolarHBondContact CB-O 3.45Å; A216-C231 PolarHBondContact O-N 3.47Å; A216-F251 WeakPolarHBondContact O-CZ 3.36Å
217	L	94.7	Very high	91.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.2	-178.4	-60.8	178.2	0	0	0	112.4	L48 L53 F210 V211 N214 R215 V229 R230	L48-L217 HydrophobicContact CD1-CD2 3.8Å; L53-L217 HydrophobicContact CD1-CD1 3.96Å; F210-L217 HydrophobicContact CD1-CD1 3.98Å; F210-L217 HydrophobicContact CE1-CD1 3.57Å; F210-L217 HydrophobicContact CZ-CD1 4.2Å; V211-L217 HydrophobicContact CB-CB 4.43Å; V211-L217 HydrophobicContact CG1-CB 3.98Å; V211-L217 HydrophobicContact CG2-CD1 4.38Å; N214-L217 HydrophobicContact CB-CB 4.07Å; N214-L217 HydrophobicContact CB-CD1 3.81Å; N214-L217 HydrophobicContact CB-CG 3.94Å; N214-L217 PolarHBondContact O-N 3.05Å; R215-L217 VanDerWaalsContact C-N 3.34Å; L217-V229 CarbonylContact C-O 3.58Å; L217-V229 VanDerWaalsContact CA-O 3.28Å; L217-V229 WeakPolarHBondContact CA-O 3.49Å; L217-R230 HydrophobicContact CD2-CB 3.63Å; L217-R230 HydrophobicContact CD2-CG 3.93Å
218	T	94.3	Very high	91.4	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.08	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.2	166.6	-164.4	0	0	0	0	110.4	A228 V229 F249 F251	T218-A228 CarbonylContact O-C 3.51Å; T218-A228 WeakPolarHBondContact O-CA 3.47Å; T218-V229 HydrophobicContact CG2-CB 4.19Å; T218-V229 PolarHBondContact N-O 3.36Å; T218-V229 PolarHBondContact O-N 3.41Å; T218-F249 HydrophobicContact CG2-CE2 3.73Å; T218-F249 HydrophobicContact CG2-CZ 4.38Å; T218-F251 HydrophobicContact CG2-CD2 3.34Å; T218-F251 HydrophobicContact CG2-CE2 3.57Å; T218-F251 HydrophobicContact CG2-CG 4.35Å
219	W	93.3	Very high	91.7	Very high	40 Å²	40	45.7 Å²	45.7	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.8	176.5	-73.1	108.5	0	0	0	111.4	L53 K204 V211 G226 A228	L53-W219 HydrophobicContact CD2-CH2 3.34Å; L53-W219 HydrophobicContact CD2-CZ2 3.98Å; L53-W219 HydrophobicContact CD2-CZ3 3.84Å; K204-W219 HydrophobicContact CG-CH2 4.28Å; K204-W219 HydrophobicContact CG-CZ2 4.23Å; V211-W219 HydrophobicContact CB-CZ2 4.16Å; V211-W219 HydrophobicContact CG1-CD2 4.23Å; V211-W219 HydrophobicContact CG1-CG 4Å; V211-W219 HydrophobicContact CG2-CD2 4.31Å; V211-W219 HydrophobicContact CG2-CH2 4.21Å; V211-W219 HydrophobicContact CG2-CZ2 3.6Å; W219-G226 WeakPolarHBondContact CZ3-O 3.28Å; W219-A228 HydrophobicContact CE3-CB 4.06Å; W219-A228 HydrophobicContact CZ3-CB 4.18Å
220	C	94.4	Very high	91.8	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.027	25%	0.247	C	C	.	.			trans	-66.1	127.5	162.7	179.4	0	0	0	0	109.5	G222 C225 H227 C242 C245 F249	C220-G222 PolarHBondContact O-N 3.09Å; C220-G222 PolarHBondContact SG-N 3.39Å; C220-G222 VanDerWaalsContact SG-N 3.4Å; C220-C225 HydrophobicContact CB-CB 4.49Å; C220-H227 VanDerWaalsContact CB-O 3.23Å; C220-H227 WeakPolarHBondContact CB-O 3.27Å; C220-H227 PolarHBondContact N-O 3.44Å; C220-C242 VanDerWaalsContact SG-SG 3.66Å; C220-C245 PolarHBondContact SG-SG 3.15Å; C220-F249 HydrophobicContact CB-CE1 4.38Å
221	P	93	Very high	91.7	Very high	58 Å²	58	47.5 Å²	47.5	38%	0.377	25%	0.245	S	C	.	.			trans	-79.1	-5.9	178.3	31.7	-33.1	0	0	0	113.3	V223 E247 F249	P221-V223 PolarHBondContact O-N 2.88Å; P221-E247 HydrophobicContact CG-CG 4Å; P221-F249 HydrophobicContact CG-CB 3.52Å; P221-F249 HydrophobicContact CG-CD1 3.95Å; P221-F249 HydrophobicContact CG-CD2 4.17Å; P221-F249 HydrophobicContact CG-CG 3.63Å
222	G	89.3	Confident	91.4	Very high	8 Å²	8	53.1 Å²	53.1	8%	0.082	27%	0.27	C	S	.	.	S	Bend	trans	-56.3	134.9	179.4	0	0	0	0	0	112.4	C220 N224 C225	C220-G222 PolarHBondContact O-N 3.09Å; C220-G222 PolarHBondContact SG-N 3.39Å; C220-G222 VanDerWaalsContact SG-N 3.4Å; G222-N224 PolarHBondContact O-N 3.16Å; G222-C225 WeakPolarHBondContact O-CB 3.49Å; G222-C225 PolarHBondContact O-N 3.05Å; G222-C225 VanDerWaalsContact O-N 3.1Å
223	V	84.8	Confident	91.1	Very high	131 Å²	131	48.7 Å²	48.7	79%	0.794	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	123.8	-177.7	-177.2	0	0	0	0	109.8	P221 C225	P221-V223 PolarHBondContact O-N 2.88Å; V223-C225 PolarHBondContact O-N 3.39Å; V223-C225 VanDerWaalsContact O-N 3.07Å
224	N	81.7	Confident	90.8	Very high	137 Å²	137	48.5 Å²	48.5	73%	0.733	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	17.3	-179.3	-58.7	-34.7	0	0	0	115.9	G222	G222-N224 PolarHBondContact O-N 3.16Å
225	C	88.3	Confident	90.5	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.054	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-49.7	-179.8	178.8	0	0	0	0	112.2	C220 G222 V223 H227 C242 N244 C245	C220-C225 HydrophobicContact CB-CB 4.49Å; G222-C225 WeakPolarHBondContact O-CB 3.49Å; G222-C225 PolarHBondContact O-N 3.05Å; G222-C225 VanDerWaalsContact O-N 3.1Å; V223-C225 PolarHBondContact O-N 3.39Å; V223-C225 VanDerWaalsContact O-N 3.07Å; C225-H227 PolarHBondContact O-N 3Å; C225-H227 VanDerWaalsContact O-N 3.14Å; C225-H227 PolarHBondContact O-ND1 2.84Å; C225-H227 PolarHBondContact SG-ND1 3.38Å; C225-C242 VanDerWaalsContact SG-SG 3.69Å; C225-N244 PolarHBondContact SG-OD1 3.4Å; C225-N244 VanDerWaalsContact SG-OD1 3.38Å; C225-C245 HydrophobicContact CB-CB 4.04Å
226	G	85.7	Confident	90.4	Very high	19 Å²	19	46 Å²	46	20%	0.196	25%	0.25	C	C	.	.			trans	68.6	4.5	177.3	0	0	0	0	0	115.9	P50 W219	P50-G226 WeakPolarHBondContact CG-O 3.28Å; W219-G226 WeakPolarHBondContact CZ3-O 3.28Å
227	H	92.2	Very high	90.3	Very high	17 Å²	17	48.1 Å²	48.1	8%	0.079	26%	0.261	C	S	.	.			trans	-83.7	151.2	174.5	-68.8	63.7	0	0	0	111	I47 L48 H49 C220 C225 N244	I47-H227 HydrophobicContact CG2-CB 3.87Å; L48-H227 WeakPolarHBondContact O-CA 3.48Å; L48-H227 WeakPolarHBondContact O-CB 3.3Å; L48-H227 PolarHBondContact O-CD2 3.22Å; H49-H227 AromaticContact CD2-CE1 3.99Å; H49-H227 AromaticContact CD2-NE2 3.46Å; H49-H227 PolarHBondContact CD2-NE2 3.21Å; C220-H227 VanDerWaalsContact CB-O 3.23Å; C220-H227 WeakPolarHBondContact CB-O 3.27Å; C220-H227 PolarHBondContact N-O 3.44Å; C225-H227 PolarHBondContact O-N 3Å; C225-H227 VanDerWaalsContact O-N 3.14Å; C225-H227 PolarHBondContact O-ND1 2.84Å; C225-H227 PolarHBondContact SG-ND1 3.38Å; H227-N244 PolarHBondContact CE1-ND2 3.45Å; H227-N244 VanDerWaalsContact CE1-ND2 3.3Å; H227-N244 PolarHBondContact CE1-OD1 2.92Å; H227-N244 PolarHBondContact ND1-OD1 2.85Å
228	A	94.3	Very high	90.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	164.2	168.8	0	0	0	0	0	109.8	L48 L53 V211 T218 W219	L48-A228 HydrophobicContact CB-CB 4.48Å; L48-A228 PolarHBondContact N-O 3.43Å; L48-A228 PolarHBondContact O-N 2.87Å; L48-A228 VanDerWaalsContact O-N 3.1Å; L53-A228 HydrophobicContact CD1-CB 4.4Å; L53-A228 HydrophobicContact CD2-CB 4.07Å; V211-A228 HydrophobicContact CG2-CB 4.35Å; T218-A228 CarbonylContact O-C 3.51Å; T218-A228 WeakPolarHBondContact O-CA 3.47Å; W219-A228 HydrophobicContact CE3-CB 4.06Å; W219-A228 HydrophobicContact CZ3-CB 4.18Å
229	V	94.9	Very high	90.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	175.8	-179.1	0	0	0	0	108.8	Y45 E46 I47 L217 T218 I240 F249	Y45-V229 HydrophobicContact CD2-CG1 3.89Å; Y45-V229 HydrophobicContact CG-CG1 4.34Å; E46-V229 CarbonylContact O-C 3.54Å; E46-V229 WeakPolarHBondContact O-CA 3.15Å; I47-V229 HydrophobicContact CD1-CB 4.29Å; I47-V229 HydrophobicContact CD1-CG1 4.16Å; I47-V229 HydrophobicContact CD1-CG2 3.33Å; L217-V229 CarbonylContact C-O 3.58Å; L217-V229 VanDerWaalsContact CA-O 3.28Å; L217-V229 WeakPolarHBondContact CA-O 3.49Å; T218-V229 HydrophobicContact CG2-CB 4.19Å; T218-V229 PolarHBondContact N-O 3.36Å; T218-V229 PolarHBondContact O-N 3.41Å; V229-I240 HydrophobicContact CB-CG2 4.41Å; V229-I240 HydrophobicContact CG1-CD1 4.45Å; V229-I240 HydrophobicContact CG1-CG1 4.5Å; V229-I240 HydrophobicContact CG1-CG2 3.89Å; V229-I240 HydrophobicContact CG2-CG2 3.98Å; V229-F249 HydrophobicContact CB-CZ 4.39Å; V229-F249 HydrophobicContact CG2-CE1 4.38Å; V229-F249 HydrophobicContact CG2-CZ 3.65Å
230	R	94.9	Very high	90.2	Very high	73 Å²	73	52.1 Å²	52.1	28%	0.275	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.5	172.8	-175.7	168.6	65.3	169	4.2	109.6	Y45 E46 L48 A216 L217 F232	Y45-R230 CarbonylContact C-O 3.56Å; Y45-R230 WeakPolarHBondContact CA-O 3.44Å; Y45-R230 WeakPolarHBondContact CB-O 3.41Å; E46-R230 PolarHBondContact N-O 3.35Å; E46-R230 PolarHBondContact O-N 2.98Å; E46-R230 IonicContact OE2-CZ 2.76Å; E46-R230 IonicContact OE2-NE 2.72Å; E46-R230 PolarHBondContact OE2-NE 2.93Å; E46-R230 IonicContact OE2-NH2 3.7Å; E46-R230 PolarHBondContact OE2-NH2 3.42Å; L48-R230 HydrophobicContact CD1-CB 4.02Å; L48-R230 HydrophobicContact CG-CB 4.28Å; A216-R230 CarbonylContact O-C 3.5Å; A216-R230 VanDerWaalsContact O-CA 3.26Å; A216-R230 WeakPolarHBondContact O-CA 3.5Å; L217-R230 HydrophobicContact CD2-CB 3.63Å; L217-R230 HydrophobicContact CD2-CG 3.93Å; R230-F232 HydrophobicContact CG-CE1 4.34Å; R230-F232 HydrophobicContact CG-CZ 4.44Å
231	C	92.9	Very high	90.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.1	171.5	-70.8	0	0	0	0	109.9	L43 Y45 A216 F251	L43-C231 HydrophobicContact CD2-CB 3.95Å; Y45-C231 VanDerWaalsContact CB-SG 3.56Å; A216-C231 WeakPolarHBondContact CB-O 3.45Å; A216-C231 PolarHBondContact O-N 3.47Å; C231-F251 HydrophobicContact CB-CD1 4.25Å; C231-F251 HydrophobicContact CB-CD2 4.14Å; C231-F251 HydrophobicContact CB-CE1 3.83Å; C231-F251 HydrophobicContact CB-CE2 3.73Å; C231-F251 HydrophobicContact CB-CG 4.4Å; C231-F251 HydrophobicContact CB-CZ 3.58Å; C231-F251 WeakPolarHBondContact SG-CD2 3.45Å; C231-F251 WeakPolarHBondContact SG-CE2 3.35Å
232	F	88.4	Confident	90.3	Very high	123 Å²	123	51.8 Å²	51.8	54%	0.539	28%	0.275	S	S	.	.	S	Bend	trans	-91.9	-13.8	179.2	-58.1	-75	0	0	0	113.3	E44 R230	E44-F232 HydrophobicContact CB-CD2 3.94Å; E44-F232 VanDerWaalsContact O-CD2 3.27Å; E44-F232 WeakPolarHBondContact O-CD2 3.36Å; E44-F232 PolarHBondContact O-N 3.03Å; R230-F232 HydrophobicContact CG-CE1 4.34Å; R230-F232 HydrophobicContact CG-CZ 4.44Å
233	G	85.7	Confident	90.5	Very high	29 Å²	29	57 Å²	57	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	-84.2	-174.9	175.8	0	0	0	0	0	114.6
234	P	86.7	Confident	90.8	Very high	69 Å²	69	55.1 Å²	55.1	45%	0.448	29%	0.291	S	S	.	.			trans	-63.1	160.3	174.1	29.7	-35	0	0	0	111.1	E236 Y238	P234-E236 HydrophobicContact CB-CG 4.19Å; P234-E236 HydrophobicContact CG-CG 4.03Å; P234-E236 PolarHBondContact O-N 2.89Å; P234-Y238 WeakPolarHBondContact CG-OH 3.35Å; P234-Y238 WeakPolarHBondContact O-CE2 3.45Å
235	R	86.8	Confident	91.2	Very high	114 Å²	114	51.3 Å²	51.3	43%	0.43	27%	0.274	S	S	.	.	S	Bend	trans	-78.3	76.2	177	-169.8	173.4	-177.1	134.3	-3.8	110.6	F251	R235-F251 HydrophobicContact CB-CE1 4.33Å; R235-F251 HydrophobicContact CG-CD1 4.31Å; R235-F251 HydrophobicContact CG-CE1 3.95Å
236	E	89.6	Confident	91.3	Very high	93 Å²	93	53.1 Å²	53.1	44%	0.435	30%	0.295	S	S	.	.			trans	-115.7	166.1	-178.2	-76.8	177.8	-168.7	0	0	112.2	P234 Y238	P234-E236 HydrophobicContact CB-CG 4.19Å; P234-E236 HydrophobicContact CG-CG 4.03Å; P234-E236 PolarHBondContact O-N 2.89Å; E236-Y238 VanDerWaalsContact C-N 3.26Å; E236-Y238 HydrophobicContact CB-CD2 4.22Å; E236-Y238 HydrophobicContact CB-CE1 4.08Å; E236-Y238 HydrophobicContact CB-CE2 3.56Å; E236-Y238 VanDerWaalsContact CB-CZ 3.46Å; E236-Y238 WeakPolarHBondContact O-CD2 3.43Å; E236-Y238 PolarHBondContact O-N 3.08Å; E236-Y238 PolarHBondContact OE2-OH 2.96Å
237	P	91.6	Very high	91.5	Very high	71 Å²	71	55.1 Å²	55.1	46%	0.461	30%	0.299	S	S	.	.			trans	-73	74	-177.5	-16.8	33.4	0	0	0	112.8	A252 W257	P237-A252 HydrophobicContact CG-CB 4.31Å; P237-W257 WeakPolarHBondContact O-CH2 3.44Å; P237-W257 WeakPolarHBondContact O-CZ3 3.45Å
238	Y	91.1	Very high	91.5	Very high	55 Å²	55	55.4 Å²	55.4	22%	0.216	30%	0.303	C	S	.	.			trans	-91.3	145.7	173.4	-54	-58.8	0	0	0	112	L43 P234 E236 I240 C250 F251 W257	L43-Y238 HydrophobicContact CD1-CD1 4.11Å; L43-Y238 HydrophobicContact CD1-CD2 3.78Å; L43-Y238 HydrophobicContact CD1-CE1 3.67Å; L43-Y238 HydrophobicContact CD1-CE2 3.22Å; L43-Y238 HydrophobicContact CD1-CG 4.17Å; L43-Y238 WeakPolarHBondContact CD1-OH 3.42Å; L43-Y238 HydrophobicContact CD2-CD2 3.45Å; L43-Y238 VanDerWaalsContact CD2-CD2 3.45Å; L43-Y238 HydrophobicContact CD2-CE2 3.57Å; L43-Y238 HydrophobicContact CD2-CG 4.13Å; L43-Y238 HydrophobicContact CG-CD2 4.11Å; L43-Y238 HydrophobicContact CG-CE2 3.97Å; P234-Y238 WeakPolarHBondContact CG-OH 3.35Å; P234-Y238 WeakPolarHBondContact O-CE2 3.45Å; E236-Y238 VanDerWaalsContact C-N 3.26Å; E236-Y238 HydrophobicContact CB-CD2 4.22Å; E236-Y238 HydrophobicContact CB-CE1 4.08Å; E236-Y238 HydrophobicContact CB-CE2 3.56Å; E236-Y238 VanDerWaalsContact CB-CZ 3.46Å; E236-Y238 WeakPolarHBondContact O-CD2 3.43Å; E236-Y238 PolarHBondContact O-N 3.08Å; E236-Y238 PolarHBondContact OE2-OH 2.96Å; Y238-I240 PolarHBondContact O-N 3.17Å; Y238-C250 WeakPolarHBondContact O-CA 3.27Å; Y238-F251 PolarHBondContact O-N 3.1Å; Y238-W257 VanDerWaalsContact C-CZ3 3.42Å
239	Q	94.2	Very high	91.6	Very high	84 Å²	84	55.4 Å²	55.4	39%	0.393	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.8	171	-174.2	179.4	-12.2	0	0	109.5	W257	Q239-W257 HydrophobicContact CB-CD2 3.61Å; Q239-W257 HydrophobicContact CB-CE3 3.72Å; Q239-W257 HydrophobicContact CB-CG 4.2Å; Q239-W257 HydrophobicContact CB-CH2 4.01Å; Q239-W257 HydrophobicContact CB-CZ2 3.9Å; Q239-W257 HydrophobicContact CB-CZ3 3.93Å; Q239-W257 HydrophobicContact CG-CB 4.22Å; Q239-W257 HydrophobicContact CG-CD2 3.68Å; Q239-W257 HydrophobicContact CG-CE3 4.13Å; Q239-W257 HydrophobicContact CG-CG 3.7Å; Q239-W257 VanDerWaalsContact N-CZ3 3.33Å
240	I	94.3	Very high	91.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.9	173.9	-57.1	-57.9	0	0	0	108.8	Y45 I47 V229 Y238 C248 F249 F251	Y45-I240 HydrophobicContact CD1-CD1 3.65Å; Y45-I240 HydrophobicContact CD2-CD1 4.15Å; Y45-I240 HydrophobicContact CD2-CG2 4.08Å; Y45-I240 HydrophobicContact CE1-CD1 4.03Å; Y45-I240 HydrophobicContact CE2-CD1 4.48Å; Y45-I240 HydrophobicContact CE2-CG2 3.84Å; Y45-I240 HydrophobicContact CG-CD1 3.72Å; I47-I240 HydrophobicContact CD1-CG2 4.29Å; V229-I240 HydrophobicContact CB-CG2 4.41Å; V229-I240 HydrophobicContact CG1-CD1 4.45Å; V229-I240 HydrophobicContact CG1-CG1 4.5Å; V229-I240 HydrophobicContact CG1-CG2 3.89Å; V229-I240 HydrophobicContact CG2-CG2 3.98Å; Y238-I240 PolarHBondContact O-N 3.17Å; I240-C248 CarbonylContact O-C 3.53Å; I240-C248 VanDerWaalsContact O-CA 3.23Å; I240-C248 WeakPolarHBondContact O-CA 3.43Å; I240-F249 HydrophobicContact CB-CD1 4.38Å; I240-F249 HydrophobicContact CB-CE1 4.02Å; I240-F249 HydrophobicContact CB-CE2 4.2Å; I240-F249 HydrophobicContact CB-CZ 3.93Å; I240-F249 HydrophobicContact CG2-CD1 4.46Å; I240-F249 HydrophobicContact CG2-CE1 3.68Å; I240-F249 HydrophobicContact CG2-CE2 4.35Å; I240-F249 HydrophobicContact CG2-CZ 3.61Å; I240-F249 PolarHBondContact N-O 3.24Å; I240-F249 PolarHBondContact O-N 3.24Å; I240-F251 HydrophobicContact CD1-CB 4.33Å; I240-F251 HydrophobicContact CG1-CB 3.82Å; I240-F251 HydrophobicContact CG1-CD2 4.45Å
241	T	94.4	Very high	91.7	Very high	54 Å²	54	51.9 Å²	51.9	33%	0.331	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.3	169.5	-56	0	0	0	0	108.8	Y45 T243	Y45-T241 PolarHBondContact OH-N 3.03Å; Y45-T241 PolarHBondContact OH-O 3.44Å; T241-T243 PolarHBondContact O-N 3.11Å
242	C	94.5	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.			trans	-70	116.7	178.7	-176.1	0	0	0	0	110.2	C220 C225 N244 C245 G246 E247 F249	C220-C242 VanDerWaalsContact SG-SG 3.66Å; C225-C242 VanDerWaalsContact SG-SG 3.69Å; C242-N244 PolarHBondContact O-N 3.32Å; C242-C245 VanDerWaalsContact SG-SG 3.61Å; C242-G246 WeakPolarHBondContact O-CA 3.35Å; C242-G246 PolarHBondContact O-N 3.16Å; C242-E247 PolarHBondContact N-O 3.44Å; C242-F249 HydrophobicContact CB-CE1 4.41Å
243	T	93.4	Very high	92	Very high	119 Å²	119	49 Å²	49	73%	0.73	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	178	55.6	0	0	0	0	113.4	I47 T241	I47-T243 HydrophobicContact CG1-CG2 4.29Å; I47-T243 WeakPolarHBondContact CG1-OG1 3.42Å; T241-T243 PolarHBondContact O-N 3.11Å
244	N	91.4	Very high	92.3	Very high	90 Å²	90	48.4 Å²	48.4	48%	0.481	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-47.1	178.6	179.8	-99.9	0	0	0	113.2	C225 H227 C242	C225-N244 PolarHBondContact SG-OD1 3.4Å; C225-N244 VanDerWaalsContact SG-OD1 3.38Å; H227-N244 PolarHBondContact CE1-ND2 3.45Å; H227-N244 VanDerWaalsContact CE1-ND2 3.3Å; H227-N244 PolarHBondContact CE1-OD1 2.92Å; H227-N244 PolarHBondContact ND1-OD1 2.85Å; C242-N244 PolarHBondContact O-N 3.32Å
245	C	90.6	Very high	92.7	Very high	57 Å²	57	49.2 Å²	49.2	39%	0.385	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-8	-174.3	68.4	0	0	0	0	114.8	C220 C225 C242 E247	C220-C245 PolarHBondContact SG-SG 3.15Å; C225-C245 HydrophobicContact CB-CB 4.04Å; C242-C245 VanDerWaalsContact SG-SG 3.61Å; C245-E247 VanDerWaalsContact C-N 3.26Å; C245-E247 PolarHBondContact O-N 3.21Å
246	G	89.2	Confident	93	Very high	47 Å²	47	45.8 Å²	45.8	49%	0.485	27%	0.27	S	S	.	.			trans	78.5	-1.2	-178.9	0	0	0	0	0	115.3	C242 C248	C242-G246 WeakPolarHBondContact O-CA 3.35Å; C242-G246 PolarHBondContact O-N 3.16Å; G246-C248 PolarHBondContact O-N 2.87Å
247	E	90.4	Very high	93.4	Very high	61 Å²	61	43.1 Å²	43.1	29%	0.285	26%	0.256	S	S	.	.			trans	-63.9	134.1	-179.9	-167.6	58.9	-125.2	0	0	111.1	P221 C242 C245	P221-E247 HydrophobicContact CG-CG 4Å; C242-E247 PolarHBondContact N-O 3.44Å; C245-E247 VanDerWaalsContact C-N 3.26Å; C245-E247 PolarHBondContact O-N 3.21Å
248	C	93.3	Very high	93.6	Very high	22 Å²	22	40 Å²	40	15%	0.149	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119	178.3	-53.3	0	0	0	0	110.5	I240 G246 W257	I240-C248 CarbonylContact O-C 3.53Å; I240-C248 VanDerWaalsContact O-CA 3.23Å; I240-C248 WeakPolarHBondContact O-CA 3.43Å; G246-C248 PolarHBondContact O-N 2.87Å; C248-W257 HydrophobicContact CB-CB 4.43Å; C248-W257 PolarHBondContact O-N 3.47Å
249	F	95.7	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.5	-170.6	67.6	-83.6	0	0	0	112.6	T218 C220 P221 V229 I240 C242 Q255	T218-F249 HydrophobicContact CG2-CE2 3.73Å; T218-F249 HydrophobicContact CG2-CZ 4.38Å; C220-F249 HydrophobicContact CB-CE1 4.38Å; P221-F249 HydrophobicContact CG-CB 3.52Å; P221-F249 HydrophobicContact CG-CD1 3.95Å; P221-F249 HydrophobicContact CG-CD2 4.17Å; P221-F249 HydrophobicContact CG-CG 3.63Å; V229-F249 HydrophobicContact CB-CZ 4.39Å; V229-F249 HydrophobicContact CG2-CE1 4.38Å; V229-F249 HydrophobicContact CG2-CZ 3.65Å; I240-F249 HydrophobicContact CB-CD1 4.38Å; I240-F249 HydrophobicContact CB-CE1 4.02Å; I240-F249 HydrophobicContact CB-CE2 4.2Å; I240-F249 HydrophobicContact CB-CZ 3.93Å; I240-F249 HydrophobicContact CG2-CD1 4.46Å; I240-F249 HydrophobicContact CG2-CE1 3.68Å; I240-F249 HydrophobicContact CG2-CE2 4.35Å; I240-F249 HydrophobicContact CG2-CZ 3.61Å; I240-F249 PolarHBondContact N-O 3.24Å; I240-F249 PolarHBondContact O-N 3.24Å; C242-F249 HydrophobicContact CB-CE1 4.41Å; F249-Q255 CarbonylContact C-O 3.27Å; F249-Q255 WeakPolarHBondContact CA-O 3.47Å; F249-Q255 WeakPolarHBondContact CB-O 3.45Å
250	C	95.9	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.4	176.9	177.1	0	0	0	0	110.5	Y238 A252 C253 G254 Q255 W257 H258 C263	Y238-C250 WeakPolarHBondContact O-CA 3.27Å; C250-A252 PolarHBondContact O-N 3.45Å; C250-C253 VanDerWaalsContact CB-SG 3.6Å; C250-G254 VanDerWaalsContact O-CA 3.27Å; C250-G254 WeakPolarHBondContact O-CA 3.48Å; C250-G254 PolarHBondContact O-N 2.83Å; C250-Q255 PolarHBondContact N-O 3.12Å; C250-W257 HydrophobicContact CB-CE3 4.09Å; C250-W257 HydrophobicContact CB-CZ3 4.35Å; C250-H258 WeakPolarHBondContact CB-NE2 3.28Å; C250-C263 VanDerWaalsContact SG-SG 3.61Å
251	F	95	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-46	177.4	-179.8	-108	0	0	0	112.7	A216 T218 C231 R235 Y238 I240	A216-F251 WeakPolarHBondContact O-CZ 3.36Å; T218-F251 HydrophobicContact CG2-CD2 3.34Å; T218-F251 HydrophobicContact CG2-CE2 3.57Å; T218-F251 HydrophobicContact CG2-CG 4.35Å; C231-F251 HydrophobicContact CB-CD1 4.25Å; C231-F251 HydrophobicContact CB-CD2 4.14Å; C231-F251 HydrophobicContact CB-CE1 3.83Å; C231-F251 HydrophobicContact CB-CE2 3.73Å; C231-F251 HydrophobicContact CB-CG 4.4Å; C231-F251 HydrophobicContact CB-CZ 3.58Å; C231-F251 WeakPolarHBondContact SG-CD2 3.45Å; C231-F251 WeakPolarHBondContact SG-CE2 3.35Å; R235-F251 HydrophobicContact CB-CE1 4.33Å; R235-F251 HydrophobicContact CG-CD1 4.31Å; R235-F251 HydrophobicContact CG-CE1 3.95Å; Y238-F251 PolarHBondContact O-N 3.1Å; I240-F251 HydrophobicContact CD1-CB 4.33Å; I240-F251 HydrophobicContact CG1-CB 3.82Å; I240-F251 HydrophobicContact CG1-CD2 4.45Å
252	A	93.9	Very high	94.2	Very high	24 Å²	24	38.4 Å²	38.4	20%	0.198	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-45.9	-174.1	0	0	0	0	0	113.7	P237 C250	P237-A252 HydrophobicContact CG-CB 4.31Å; C250-A252 PolarHBondContact O-N 3.45Å
253	C	94.1	Very high	94.3	Very high	38 Å²	38	39.5 Å²	39.5	26%	0.257	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-12.4	-172.6	77.1	0	0	0	0	114.9	C250 Q255 H258 C263	C250-C253 VanDerWaalsContact CB-SG 3.6Å; C253-Q255 PolarHBondContact O-N 3.01Å; C253-Q255 VanDerWaalsContact SG-CB 3.58Å; C253-Q255 PolarHBondContact SG-N 2.78Å; C253-Q255 VanDerWaalsContact SG-N 3.44Å; C253-H258 PolarHBondContact SG-NE2 2.68Å; C253-C263 HydrophobicContact CB-CB 4.05Å
254	G	93.1	Very high	94.4	Very high	18 Å²	18	40.2 Å²	40.2	19%	0.186	22%	0.223	C	C	.	.			trans	73.7	-1.6	-179.5	0	0	0	0	0	115.3	C250	C250-G254 VanDerWaalsContact O-CA 3.27Å; C250-G254 WeakPolarHBondContact O-CA 3.48Å; C250-G254 PolarHBondContact O-N 2.83Å
255	Q	94.4	Very high	94.6	Very high	85 Å²	85	36.8 Å²	36.8	40%	0.397	21%	0.205	S	C	.	.	S	Bend	trans	-75.9	158.7	176	-63.5	-61.7	-35.1	0	0	111.2	F249 C250 C253 L266 I270	F249-Q255 CarbonylContact C-O 3.27Å; F249-Q255 WeakPolarHBondContact CA-O 3.47Å; F249-Q255 WeakPolarHBondContact CB-O 3.45Å; C250-Q255 PolarHBondContact N-O 3.12Å; C253-Q255 PolarHBondContact O-N 3.01Å; C253-Q255 VanDerWaalsContact SG-CB 3.58Å; C253-Q255 PolarHBondContact SG-N 2.78Å; C253-Q255 VanDerWaalsContact SG-N 3.44Å; Q255-L266 HydrophobicContact CB-CD2 3.95Å; Q255-L266 HydrophobicContact CG-CD2 4.21Å; Q255-I270 HydrophobicContact CG-CD1 4.48Å
256	P	94	Very high	94.9	Very high	42 Å²	42	34.1 Å²	34.1	27%	0.273	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-51.8	145.7	171.9	-22.7	32.4	0	0	0	110.9	H258 Y420	P256-H258 WeakPolarHBondContact O-CB 3.31Å; P256-H258 PolarHBondContact O-CD2 3.23Å; P256-H258 PolarHBondContact O-N 2.86Å; P256-H258 VanDerWaalsContact O-N 3.14Å; P256-Y420 PolarHBondContact O-OH 3Å
257	W	96.1	Very high	95.2	Very high	37 Å²	37	39.6 Å²	39.6	14%	0.14	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-56.4	122.7	-172	178.6	-114.7	0	0	0	110.8	P237 Y238 Q239 C248 C250 D259 R416 Y420	P237-W257 WeakPolarHBondContact O-CH2 3.44Å; P237-W257 WeakPolarHBondContact O-CZ3 3.45Å; Y238-W257 VanDerWaalsContact C-CZ3 3.42Å; Q239-W257 HydrophobicContact CB-CD2 3.61Å; Q239-W257 HydrophobicContact CB-CE3 3.72Å; Q239-W257 HydrophobicContact CB-CG 4.2Å; Q239-W257 HydrophobicContact CB-CH2 4.01Å; Q239-W257 HydrophobicContact CB-CZ2 3.9Å; Q239-W257 HydrophobicContact CB-CZ3 3.93Å; Q239-W257 HydrophobicContact CG-CB 4.22Å; Q239-W257 HydrophobicContact CG-CD2 3.68Å; Q239-W257 HydrophobicContact CG-CE3 4.13Å; Q239-W257 HydrophobicContact CG-CG 3.7Å; Q239-W257 VanDerWaalsContact N-CZ3 3.33Å; C248-W257 HydrophobicContact CB-CB 4.43Å; C248-W257 PolarHBondContact O-N 3.47Å; C250-W257 HydrophobicContact CB-CE3 4.09Å; C250-W257 HydrophobicContact CB-CZ3 4.35Å; W257-D259 HydrophobicContact CZ2-CB 3.89Å; W257-R416 WeakPolarHBondContact O-CD 3.49Å; W257-Y420 WeakPolarHBondContact O-CE2 3.4Å
258	H	96.6	Very high	95.4	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.028	20%	0.197	C	C	.	.			trans	-124.3	31	-159.3	58	67.4	0	0	0	114.6	C250 C253 P256 V261 C263 L266 Y420	C250-H258 WeakPolarHBondContact CB-NE2 3.28Å; C253-H258 PolarHBondContact SG-NE2 2.68Å; P256-H258 WeakPolarHBondContact O-CB 3.31Å; P256-H258 PolarHBondContact O-CD2 3.23Å; P256-H258 PolarHBondContact O-N 2.86Å; P256-H258 VanDerWaalsContact O-N 3.14Å; H258-V261 HydrophobicContact CB-CG1 4.07Å; H258-V261 PolarHBondContact CE1-O 2.69Å; H258-V261 PolarHBondContact ND1-O 2.94Å; H258-V261 VanDerWaalsContact O-CG1 3.22Å; H258-V261 WeakPolarHBondContact O-CG1 3.44Å; H258-V261 PolarHBondContact O-N 3.22Å; H258-V261 VanDerWaalsContact O-O 3.13Å; H258-C263 PolarHBondContact CE1-SG 3Å; H258-C263 PolarHBondContact NE2-SG 3.04Å; H258-C263 VanDerWaalsContact NE2-SG 3.44Å; H258-L266 HydrophobicContact CB-CD2 3.61Å; H258-L266 WeakPolarHBondContact CD2-CD2 3.5Å; H258-L266 VanDerWaalsContact CG-CD2 3.44Å; H258-Y420 VanDerWaalsContact CA-CD2 3.41Å; H258-Y420 VanDerWaalsContact CA-CE2 3.48Å; H258-Y420 HydrophobicContact CB-CD1 3.75Å; H258-Y420 HydrophobicContact CB-CD2 3.86Å; H258-Y420 HydrophobicContact CB-CE1 3.62Å; H258-Y420 HydrophobicContact CB-CE2 3.68Å; H258-Y420 HydrophobicContact CB-CG 3.86Å
259	D	96.2	Very high	95.5	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.112	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	126.1	169.8	-156.6	7	0	0	0	109.7	W257 L486 H490	W257-D259 HydrophobicContact CZ2-CB 3.89Å; D259-L486 HydrophobicContact CB-CD2 4.16Å; D259-L486 WeakPolarHBondContact OD2-CD1 3.26Å; D259-H490 IonicContact OD1-CD2 3.14Å; D259-H490 IonicContact OD1-CE1 3.92Å; D259-H490 IonicContact OD1-NE2 3.51Å; D259-H490 PolarHBondContact OD1-NE2 2.84Å; D259-H490 IonicContact OD2-CE1 2.69Å; D259-H490 PolarHBondContact OD2-CE1 2.86Å; D259-H490 IonicContact OD2-NE2 3.16Å; D259-H490 PolarHBondContact OD2-NE2 2.9Å
260	P	96.6	Very high	95.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.013	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.8	0	15.4	38.2	-36.1	0	0	0	118.1	T421 F424 L485 L486 V489 Y493	P260-T421 HydrophobicContact CG-CG2 4.05Å; P260-F424 HydrophobicContact CG-CB 4.15Å; P260-F424 HydrophobicContact CG-CD1 4.48Å; P260-F424 HydrophobicContact CG-CG 4.28Å; P260-L485 HydrophobicContact CG-CD2 4.4Å; P260-L486 HydrophobicContact CB-CD2 3.88Å; P260-L486 HydrophobicContact CG-CD2 4.33Å; P260-V489 HydrophobicContact CB-CB 4.05Å; P260-V489 HydrophobicContact CB-CG1 3.74Å; P260-V489 HydrophobicContact CB-CG2 4.21Å; P260-Y493 PolarHBondContact O-OH 3.14Å
261	V	96.8	Very high	95.1	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.024	23%	0.227	C	C	.	.	S	Bend	trans	-75.6	139.3	-174.9	67.3	0	0	0	0	111.5	H258 Q265 L266 Y420 A423 F424	H258-V261 HydrophobicContact CB-CG1 4.07Å; H258-V261 PolarHBondContact CE1-O 2.69Å; H258-V261 PolarHBondContact ND1-O 2.94Å; H258-V261 VanDerWaalsContact O-CG1 3.22Å; H258-V261 WeakPolarHBondContact O-CG1 3.44Å; H258-V261 PolarHBondContact O-N 3.22Å; H258-V261 VanDerWaalsContact O-O 3.13Å; V261-Q265 HydrophobicContact CG2-CB 3.5Å; V261-L266 HydrophobicContact CG1-CB 4.03Å; V261-L266 HydrophobicContact CG1-CD1 4.31Å; V261-L266 HydrophobicContact CG2-CB 4.48Å; V261-Y420 HydrophobicContact CG1-CD1 3.86Å; V261-Y420 HydrophobicContact CG1-CG 4.26Å; V261-A423 HydrophobicContact CG1-CB 4.43Å; V261-A423 HydrophobicContact CG2-CB 4.42Å; V261-F424 HydrophobicContact CB-CB 4.04Å; V261-F424 HydrophobicContact CG2-CB 4.43Å
262	R	96.5	Very high	94.9	Very high	134 Å²	134	49.4 Å²	49.4	51%	0.506	24%	0.238	S	C	.	.			trans	-71.9	152.9	175.8	-68.8	-178.2	174.6	-172.2	-3.7	111.5	E264 Q265 L266 Y493	R262-E264 VanDerWaalsContact C-N 3.25Å; R262-E264 PolarHBondContact O-N 3.27Å; R262-E264 VanDerWaalsContact O-N 3.16Å; R262-Q265 PolarHBondContact O-N 3.46Å; R262-Q265 VanDerWaalsContact O-N 3.15Å; R262-L266 PolarHBondContact O-N 2.64Å; R262-Y493 HydrophobicContact CG-CE1 4.03Å; R262-Y493 HydrophobicContact CG-CE2 4.41Å; R262-Y493 VanDerWaalsContact NE-CD1 3.26Å
263	C	96.7	Very high	94.6	Very high	22 Å²	22	49.9 Å²	49.9	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-52	-41.5	-178.7	-68.4	0	0	0	0	113.4	C250 C253 H258 R267	C250-C263 VanDerWaalsContact SG-SG 3.61Å; C253-C263 HydrophobicContact CB-CB 4.05Å; H258-C263 PolarHBondContact CE1-SG 3Å; H258-C263 PolarHBondContact NE2-SG 3.04Å; H258-C263 VanDerWaalsContact NE2-SG 3.44Å; C263-R267 WeakPolarHBondContact O-CB 3.37Å; C263-R267 PolarHBondContact O-N 2.62Å
264	E	95.7	Very high	94.2	Very high	134 Å²	134	53.9 Å²	53.9	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-67.2	-44.8	-179.1	-177.7	177.5	-164.9	0	0	112.6	R262 R267 T268	R262-E264 VanDerWaalsContact C-N 3.25Å; R262-E264 PolarHBondContact O-N 3.27Å; R262-E264 VanDerWaalsContact O-N 3.16Å; E264-R267 PolarHBondContact O-N 3.3Å; E264-T268 PolarHBondContact O-N 2.86Å; E264-T268 VanDerWaalsContact O-N 3.08Å; E264-T268 PolarHBondContact O-OG1 3.38Å; E264-T268 VanDerWaalsContact O-OG1 3.05Å
265	Q	95.8	Very high	93.7	Very high	19 Å²	19	58.5 Å²	58.5	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44	175.5	-72.5	174.4	-44.5	0	0	110.7	V261 R262 R267 T268 W269 F427	V261-Q265 HydrophobicContact CG2-CB 3.5Å; R262-Q265 PolarHBondContact O-N 3.46Å; R262-Q265 VanDerWaalsContact O-N 3.15Å; Q265-R267 VanDerWaalsContact C-N 3.34Å; Q265-R267 PolarHBondContact O-N 3.31Å; Q265-T268 PolarHBondContact O-N 3.38Å; Q265-W269 WeakPolarHBondContact O-CB 3.46Å; Q265-W269 PolarHBondContact O-N 2.98Å; Q265-F427 HydrophobicContact CB-CD2 3.75Å; Q265-F427 HydrophobicContact CB-CE2 3.8Å; Q265-F427 HydrophobicContact CB-CG 4.44Å; Q265-F427 HydrophobicContact CG-CD2 4Å; Q265-F427 HydrophobicContact CG-CE2 4.41Å; Q265-F427 HydrophobicContact CG-CG 4.21Å; Q265-F427 VanDerWaalsContact O-CE2 3.3Å; Q265-F427 WeakPolarHBondContact O-CE2 3.26Å; Q265-F427 WeakPolarHBondContact O-CZ 3.23Å
266	L	97	Very high	92.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-43.5	176.6	179.6	61.6	0	0	0	111.8	Q255 H258 V261 R262 T268 W269 I270 Y420	Q255-L266 HydrophobicContact CB-CD2 3.95Å; Q255-L266 HydrophobicContact CG-CD2 4.21Å; H258-L266 HydrophobicContact CB-CD2 3.61Å; H258-L266 WeakPolarHBondContact CD2-CD2 3.5Å; H258-L266 VanDerWaalsContact CG-CD2 3.44Å; V261-L266 HydrophobicContact CG1-CB 4.03Å; V261-L266 HydrophobicContact CG1-CD1 4.31Å; V261-L266 HydrophobicContact CG2-CB 4.48Å; R262-L266 PolarHBondContact O-N 2.64Å; L266-T268 VanDerWaalsContact C-N 3.3Å; L266-T268 PolarHBondContact O-N 3.41Å; L266-W269 WeakPolarHBondContact O-CB 3.37Å; L266-W269 PolarHBondContact O-N 3.19Å; L266-I270 HydrophobicContact CD1-CD1 3.9Å; L266-I270 HydrophobicContact CD1-CG1 3.99Å; L266-I270 HydrophobicContact CD2-CD1 4.34Å; L266-I270 HydrophobicContact CG-CD1 3.79Å; L266-I270 HydrophobicContact CG-CG1 4.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 2.69Å; L266-Y420 HydrophobicContact CD1-CD1 4.08Å; L266-Y420 HydrophobicContact CD1-CE1 3.7Å; L266-Y420 HydrophobicContact CD2-CE1 4.16Å
267	R	96	Very high	91.1	Very high	162 Å²	162	61.1 Å²	61.1	61%	0.611	30%	0.295	S	S	*	.	H	α-helix	trans	-58.6	-44.6	176.7	-172.9	-172.5	-61.6	131.8	-1	111.3	C263 E264 Q265 W269 K271	C263-R267 WeakPolarHBondContact O-CB 3.37Å; C263-R267 PolarHBondContact O-N 2.62Å; E264-R267 PolarHBondContact O-N 3.3Å; Q265-R267 VanDerWaalsContact C-N 3.34Å; Q265-R267 PolarHBondContact O-N 3.31Å; R267-W269 VanDerWaalsContact C-N 3.35Å; R267-K271 WeakPolarHBondContact O-CB 3.5Å; R267-K271 PolarHBondContact O-N 3.25Å; R267-K271 VanDerWaalsContact O-N 3.09Å
268	T	94.7	Very high	89.1	Confident	61 Å²	61	61.8 Å²	61.8	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-41.6	177.5	-56.5	0	0	0	0	111.5	E264 Q265 L266 K271 K272 F427	E264-T268 PolarHBondContact O-N 2.86Å; E264-T268 VanDerWaalsContact O-N 3.08Å; E264-T268 PolarHBondContact O-OG1 3.38Å; E264-T268 VanDerWaalsContact O-OG1 3.05Å; Q265-T268 PolarHBondContact O-N 3.38Å; L266-T268 VanDerWaalsContact C-N 3.3Å; L266-T268 PolarHBondContact O-N 3.41Å; T268-K271 PolarHBondContact O-N 2.92Å; T268-K272 PolarHBondContact O-N 2.83Å; T268-F427 HydrophobicContact CG2-CE1 4.11Å; T268-F427 HydrophobicContact CG2-CZ 4.03Å
269	W	94.2	Very high	87	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-49.4	177.1	-176.6	-110.6	0	0	0	112.8	Q265 L266 R267 K271 K272 L273 Y360 Y367 A423 Y426 F427	Q265-W269 WeakPolarHBondContact O-CB 3.46Å; Q265-W269 PolarHBondContact O-N 2.98Å; L266-W269 WeakPolarHBondContact O-CB 3.37Å; L266-W269 PolarHBondContact O-N 3.19Å; R267-W269 VanDerWaalsContact C-N 3.35Å; W269-K271 VanDerWaalsContact C-N 3.31Å; W269-K271 PolarHBondContact O-N 3.39Å; W269-K272 WeakPolarHBondContact O-CB 3.32Å; W269-K272 PolarHBondContact O-N 3.43Å; W269-L273 WeakPolarHBondContact O-CG 3.29Å; W269-L273 PolarHBondContact O-N 3.28Å; W269-Y360 HydrophobicContact CH2-CD2 4.06Å; W269-Y360 HydrophobicContact CH2-CE2 4.03Å; W269-Y360 AromaticContact CZ3-CD2 3.81Å; W269-Y360 HydrophobicContact CZ3-CD2 3.81Å; W269-Y360 AromaticContact CZ3-CE2 3.89Å; W269-Y360 HydrophobicContact CZ3-CE2 3.89Å; W269-Y367 AromaticContact CD1-CE2 3.91Å; W269-Y367 HydrophobicContact CZ2-CG 4.19Å; W269-Y367 AromaticContact NE1-CD1 3.76Å; W269-Y367 AromaticContact NE1-CD2 3.29Å; W269-Y367 VanDerWaalsContact NE1-CD2 3.29Å; W269-Y367 AromaticContact NE1-CE1 3.96Å; W269-Y367 AromaticContact NE1-CE2 3.51Å; W269-Y367 AromaticContact NE1-CG 3.45Å; W269-Y367 AromaticContact NE1-CZ 3.86Å; W269-A423 HydrophobicContact CD2-CB 4.19Å; W269-A423 HydrophobicContact CG-CB 3.96Å; W269-Y426 AromaticContact CE3-CD1 3.75Å; W269-Y426 HydrophobicContact CE3-CD1 3.75Å; W269-Y426 HydrophobicContact CE3-CE1 4.24Å; W269-Y426 HydrophobicContact CE3-CG 4.01Å; W269-Y426 HydrophobicContact CH2-CD2 4.38Å; W269-Y426 HydrophobicContact CH2-CG 4.22Å; W269-Y426 AromaticContact CZ3-CD1 3.56Å; W269-Y426 HydrophobicContact CZ3-CD1 3.56Å; W269-Y426 AromaticContact CZ3-CD2 3.74Å; W269-Y426 HydrophobicContact CZ3-CD2 3.74Å; W269-Y426 HydrophobicContact CZ3-CE1 4.06Å; W269-Y426 HydrophobicContact CZ3-CE2 4.21Å; W269-Y426 AromaticContact CZ3-CG 3.39Å; W269-Y426 HydrophobicContact CZ3-CG 3.39Å; W269-F427 HydrophobicContact CB-CE2 4.06Å; W269-F427 HydrophobicContact CB-CZ 4.29Å; W269-F427 HydrophobicContact CE3-CE2 4.46Å
270	I	92.8	Very high	84.9	Confident	39 Å²	39	72.3 Å²	72.3	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-59.2	-45	177.5	-68.7	170.6	0	0	0	110.2	Q255 L266 K272 L273 E274	Q255-I270 HydrophobicContact CG-CD1 4.48Å; L266-I270 HydrophobicContact CD1-CD1 3.9Å; L266-I270 HydrophobicContact CD1-CG1 3.99Å; L266-I270 HydrophobicContact CD2-CD1 4.34Å; L266-I270 HydrophobicContact CG-CD1 3.79Å; L266-I270 HydrophobicContact CG-CG1 4.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 2.69Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.21Å; I270-L273 WeakPolarHBondContact O-CB 3.35Å; I270-L273 PolarHBondContact O-N 2.83Å; I270-L273 VanDerWaalsContact O-N 3.16Å; I270-E274 HydrophobicContact CG2-CG 4.36Å; I270-E274 WeakPolarHBondContact O-CG 3.4Å; I270-E274 PolarHBondContact O-N 3.34Å
271	K	91.4	Very high	82.9	Confident	134 Å²	134	74 Å²	74	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-38.8	177.6	-172.1	177.3	-178.9	-179.3	0	112.6	R267 T268 W269 E274 N275	R267-K271 WeakPolarHBondContact O-CB 3.5Å; R267-K271 PolarHBondContact O-N 3.25Å; R267-K271 VanDerWaalsContact O-N 3.09Å; T268-K271 PolarHBondContact O-N 2.92Å; W269-K271 VanDerWaalsContact C-N 3.31Å; W269-K271 PolarHBondContact O-N 3.39Å; K271-E274 PolarHBondContact O-N 3.46Å; K271-N275 WeakPolarHBondContact O-CB 3.21Å; K271-N275 PolarHBondContact O-N 3.23Å; K271-N275 VanDerWaalsContact O-N 3.08Å; K271-N275 PolarHBondContact O-ND2 3.41Å
272	K	89.4	Confident	80.8	Confident	54 Å²	54	83.1 Å²	83.1	24%	0.235	42%	0.424	C	S	.	.	H	α-helix	trans	-62.9	-47.9	173.3	-79.3	178.7	177.3	-96.1	0	111.3	T268 W269 I270 E274 N275 D276 Y360 Y426 C504	T268-K272 PolarHBondContact O-N 2.83Å; W269-K272 WeakPolarHBondContact O-CB 3.32Å; W269-K272 PolarHBondContact O-N 3.43Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.21Å; K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 PolarHBondContact O-N 3.19Å; K272-N275 PolarHBondContact O-N 2.92Å; K272-D276 WeakPolarHBondContact O-CB 3.23Å; K272-D276 PolarHBondContact O-N 2.89Å; K272-Y360 HydrophobicContact CB-CE2 4.16Å; K272-Y360 PolarHBondContact O-OH 3.48Å; K272-Y426 HydrophobicContact CD-CE1 4.34Å; K272-Y426 PolarHBondContact NZ-OH 2.75Å; K272-C504 WeakPolarHBondContact CE-OXT 3.42Å; K272-C504 PolarHBondContact NZ-OXT 3.23Å
273	L	88.4	Confident	78.5	Confident	34 Å²	34	81.8 Å²	81.8	18%	0.178	43%	0.426	C	S	.	.	H	α-helix	trans	-58.8	-39.2	177.4	-69.2	173.2	0	0	0	112.7	W269 I270 S277 Y367 L368	W269-L273 WeakPolarHBondContact O-CG 3.29Å; W269-L273 PolarHBondContact O-N 3.28Å; I270-L273 WeakPolarHBondContact O-CB 3.35Å; I270-L273 PolarHBondContact O-N 2.83Å; I270-L273 VanDerWaalsContact O-N 3.16Å; L273-S277 PolarHBondContact O-N 3.23Å; L273-Y367 HydrophobicContact CD1-CD1 3.9Å; L273-Y367 HydrophobicContact CD1-CE1 3.69Å; L273-L368 HydrophobicContact CD2-CD1 4.5Å; L273-L368 HydrophobicContact CD2-CD2 4.47Å; L273-L368 HydrophobicContact CD2-CG 4.49Å
274	E	85.4	Confident	76.6	Confident	122 Å²	122	82.6 Å²	82.6	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-67	-43.1	177	-73.2	173.1	173.6	0	0	112.2	I270 K271 K272 D276 S277	I270-E274 HydrophobicContact CG2-CG 4.36Å; I270-E274 WeakPolarHBondContact O-CG 3.4Å; I270-E274 PolarHBondContact O-N 3.34Å; K271-E274 PolarHBondContact O-N 3.46Å; K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 PolarHBondContact O-N 3.19Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 3.15Å; E274-S277 WeakPolarHBondContact O-CB 3.46Å; E274-S277 PolarHBondContact O-N 3.26Å; E274-S277 PolarHBondContact O-OG 3.12Å
275	N	82.1	Confident	75	Confident	116 Å²	116	76.9 Å²	76.9	62%	0.62	41%	0.41	S	S	*	.	H	α-helix	trans	-68	-32.6	178.5	-69.9	-21.7	0	0	0	112.5	K271 K272 S277	K271-N275 WeakPolarHBondContact O-CB 3.21Å; K271-N275 PolarHBondContact O-N 3.23Å; K271-N275 VanDerWaalsContact O-N 3.08Å; K271-N275 PolarHBondContact O-ND2 3.41Å; K272-N275 PolarHBondContact O-N 2.92Å; N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 2.91Å
276	D	75.4	Confident	73.6	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	14.7	179.5	-65.4	-35.7	0	0	0	113.1	K272 E274 G278 Y360	K272-D276 WeakPolarHBondContact O-CB 3.23Å; K272-D276 PolarHBondContact O-N 2.89Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 3.15Å; D276-G278 PolarHBondContact O-N 3.33Å; D276-Y360 HydrophobicContact CB-CE1 4.14Å; D276-Y360 WeakPolarHBondContact CB-OH 3.48Å; D276-Y360 WeakPolarHBondContact OD2-CE1 3.41Å; D276-Y360 PolarHBondContact OD2-OH 2.96Å
277	S	58.7	Low	72.8	Confident	94 Å²	94	80.7 Å²	80.7	66%	0.657	43%	0.433	S	S	*	.			trans	-65.3	15.1	-178.2	60.1	0	0	0	0	115.7	L273 E274 N275 T279	L273-S277 PolarHBondContact O-N 3.23Å; E274-S277 WeakPolarHBondContact O-CB 3.46Å; E274-S277 PolarHBondContact O-N 3.26Å; E274-S277 PolarHBondContact O-OG 3.12Å; N275-S277 VanDerWaalsContact C-N 3.27Å; N275-S277 PolarHBondContact O-N 2.91Å; S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.41Å
278	G	54.1	Low	72.4	Confident	51 Å²	51	74.4 Å²	74.4	53%	0.526	41%	0.411	S	S	.	.	S	Bend	trans	-65.2	90	163.6	0	0	0	0	0	110.6	D276 L280	D276-G278 PolarHBondContact O-N 3.33Å; G278-L280 PolarHBondContact O-N 3.04Å
279	T	52.9	Low	72.2	Confident	101 Å²	101	76 Å²	76	62%	0.62	41%	0.414	S	S	*	.	S	Bend	trans	41.4	-32.3	154.5	-46.4	0	0	0	0	120.6	S277 G281 W282 I283	S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.41Å; T279-G281 VanDerWaalsContact C-N 3.32Å; T279-G281 PolarHBondContact O-N 3.2Å; T279-W282 PolarHBondContact O-N 3.31Å; T279-I283 HydrophobicContact CG2-CD1 3.78Å; T279-I283 HydrophobicContact CG2-CG1 4.31Å
280	L	52	Low	72.2	Confident	148 Å²	148	76 Å²	76	78%	0.775	41%	0.414	S	S	*	.	H	α-helix	trans	-62	-32.2	-174.1	-67.5	168.8	0	0	0	113.4	G278 A284	G278-L280 PolarHBondContact O-N 3.04Å; L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.44Å
281	G	54.8	Low	72.2	Confident	37 Å²	37	76.3 Å²	76.3	38%	0.381	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-34.4	178.6	0	0	0	0	0	114.1	T279 A285	T279-G281 VanDerWaalsContact C-N 3.32Å; T279-G281 PolarHBondContact O-N 3.2Å; G281-A285 WeakPolarHBondContact O-CB 3.22Å
282	W	51.8	Low	72.4	Confident	195 Å²	195	76.3 Å²	76.3	74%	0.739	42%	0.418	S	S	*	.	H	α-helix	trans	-82.4	-35.8	-174.3	-169.2	80	0	0	0	112.8	T279 N286	T279-W282 PolarHBondContact O-N 3.31Å; W282-N286 PolarHBondContact O-ND2 2.83Å
283	I	49.6	Very low	72.7	Confident	106 Å²	106	76 Å²	76	54%	0.544	42%	0.422	S	S	.	.	H	α-helix	trans	-70.8	-44.1	178.2	-60.9	178.1	0	0	0	110.5	T279 A285	T279-I283 HydrophobicContact CG2-CD1 3.78Å; T279-I283 HydrophobicContact CG2-CG1 4.31Å; I283-A285 VanDerWaalsContact C-N 3.27Å; I283-A285 PolarHBondContact O-N 3.46Å
284	A	56.5	Low	72.9	Confident	40 Å²	40	82.3 Å²	82.3	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-70.2	-19.1	-177.3	0	0	0	0	0	114.3	L280 K288	L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.44Å; A284-K288 WeakPolarHBondContact O-CE 3.37Å
285	A	61.1	Low	73.2	Confident	13 Å²	13	78 Å²	78	11%	0.107	43%	0.429	C	S	.	.	H	α-helix	trans	-86.4	-32.6	-175.5	0	0	0	0	0	113.1	G281 I283 W319 Q372	G281-A285 WeakPolarHBondContact O-CB 3.22Å; I283-A285 VanDerWaalsContact C-N 3.27Å; I283-A285 PolarHBondContact O-N 3.46Å; A285-W319 PolarHBondContact O-NE1 2.95Å; A285-Q372 VanDerWaalsContact CB-OE1 3.22Å; A285-Q372 PolarHBondContact O-OE1 3.23Å
286	N	68.2	Low	73.7	Confident	36 Å²	36	77.4 Å²	77.4	19%	0.193	43%	0.43	C	S	.	.	H	α-helix	trans	-93	-33.7	-173.2	-69.5	-72	0	0	0	114	W282 E298 K299 Q372	W282-N286 PolarHBondContact O-ND2 2.83Å; N286-E298 WeakPolarHBondContact O-CA 3.41Å; N286-K299 PolarHBondContact O-N 3.4Å; N286-Q372 PolarHBondContact OD1-NE2 3.36Å
287	T	78.4	Confident	74.3	Confident	64 Å²	64	74.5 Å²	74.5	39%	0.393	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.6	-173.5	-49.3	0	0	0	0	110.3	T296 I297	T287-T296 HydrophobicContact CG2-CG2 3.33Å; T287-I297 WeakPolarHBondContact CA-O 3.22Å
288	K	87.5	Confident	75.7	Confident	31 Å²	31	76.9 Å²	76.9	14%	0.135	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.4	176.4	-63.1	-170.8	-178.6	-172.8	0	110	A284 I297 W319 L322	A284-K288 WeakPolarHBondContact O-CE 3.37Å; K288-I297 PolarHBondContact N-O 2.78Å; K288-I297 PolarHBondContact O-N 3.46Å; K288-I297 VanDerWaalsContact O-O 3.1Å; K288-W319 HydrophobicContact CB-CE3 4.44Å; K288-W319 HydrophobicContact CB-CH2 3.59Å; K288-W319 HydrophobicContact CB-CZ2 3.91Å; K288-W319 HydrophobicContact CB-CZ3 3.86Å; K288-W319 HydrophobicContact CD-CD2 4.12Å; K288-W319 HydrophobicContact CD-CE3 4.46Å; K288-W319 HydrophobicContact CD-CH2 4.39Å; K288-W319 HydrophobicContact CD-CZ2 3.96Å; K288-W319 HydrophobicContact CG-CH2 3.86Å; K288-W319 HydrophobicContact CG-CZ2 3.61Å; K288-W319 HydrophobicContact CG-CZ3 4.4Å; K288-W319 PolarHBondContact NZ-O 3.34Å; K288-L322 HydrophobicContact CD-CD1 4.4Å; K288-L322 HydrophobicContact CD-CD2 3.86Å; K288-L322 HydrophobicContact CD-CG 4.45Å
289	E	90.7	Very high	77.3	Confident	94 Å²	94	74.6 Å²	74.6	44%	0.439	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	146.8	175	-66.1	180	174.7	0	0	111.5	R294 A295	E289-R294 WeakPolarHBondContact OE2-CD 3.33Å; E289-R294 IonicContact OE2-NH1 3.62Å; E289-A295 WeakPolarHBondContact CA-O 3.4Å
290	C	94	Very high	78.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.387	C	S	.	.			trans	-60.5	129.4	169.4	179.9	0	0	0	0	110.2	K292 C293 R294 A295 I297	C290-K292 PolarHBondContact O-N 3.02Å; C290-C293 VanDerWaalsContact SG-SG 3.65Å; C290-R294 VanDerWaalsContact O-CA 3.26Å; C290-R294 WeakPolarHBondContact O-CA 3.42Å; C290-R294 PolarHBondContact O-N 2.94Å; C290-A295 PolarHBondContact N-O 2.92Å; C290-I297 HydrophobicContact CB-CD1 3.84Å
291	P	94.3	Very high	80.5	Confident	45 Å²	45	68.3 Å²	68.3	29%	0.292	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.7	-178.6	25.7	-35	0	0	0	113.3	F317 L322	P291-F317 HydrophobicContact CG-CB 3.95Å; P291-F317 HydrophobicContact CG-CD1 4.3Å; P291-F317 HydrophobicContact CG-CD2 4Å; P291-F317 HydrophobicContact CG-CG 3.82Å; P291-L322 VanDerWaalsContact CB-O 3.25Å; P291-L322 WeakPolarHBondContact CB-O 3.37Å; P291-L322 WeakPolarHBondContact CG-O 3.3Å
292	K	94.4	Very high	82	Confident	135 Å²	135	66.6 Å²	66.6	59%	0.587	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-52.2	-179.8	-172.4	-179.4	178.9	-172.1	0	113.3	C290 H315	C290-K292 PolarHBondContact O-N 3.02Å; K292-H315 HydrophobicContact CB-CB 4.06Å; K292-H315 HydrophobicContact CD-CB 3.72Å
293	C	95.6	Very high	83.8	Confident	46 Å²	46	57.8 Å²	57.8	31%	0.311	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-0.3	-172	71.4	0	0	0	0	115	C290 A295 C308 C313	C290-C293 VanDerWaalsContact SG-SG 3.65Å; C293-A295 PolarHBondContact O-N 3.23Å; C293-A295 VanDerWaalsContact SG-CB 3.57Å; C293-C308 VanDerWaalsContact SG-SG 3.6Å; C293-C313 HydrophobicContact CB-CB 3.95Å
294	R	93.3	Very high	85.9	Confident	167 Å²	167	52.8 Å²	52.8	63%	0.63	28%	0.282	S	S	*	.			trans	61	6.7	-178.7	-55.1	-67.1	179.9	170	-3.6	116	E289 C290 T296	E289-R294 WeakPolarHBondContact OE2-CD 3.33Å; E289-R294 IonicContact OE2-NH1 3.62Å; C290-R294 VanDerWaalsContact O-CA 3.26Å; C290-R294 WeakPolarHBondContact O-CA 3.42Å; C290-R294 PolarHBondContact O-N 2.94Å; R294-T296 PolarHBondContact O-N 3.38Å
295	A	92.2	Very high	87.6	Confident	32 Å²	32	52 Å²	52	26%	0.264	27%	0.271	S	S	.	.			trans	-58.9	132	172.3	0	0	0	0	0	110.1	E289 C290 C293 I297	E289-A295 WeakPolarHBondContact CA-O 3.4Å; C290-A295 PolarHBondContact N-O 2.92Å; C293-A295 PolarHBondContact O-N 3.23Å; C293-A295 VanDerWaalsContact SG-CB 3.57Å; A295-I297 PolarHBondContact O-N 3.36Å
296	T	91.4	Very high	89.2	Confident	103 Å²	103	52.5 Å²	52.5	63%	0.632	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	129	175.7	-47.4	0	0	0	0	110	T287 R294	T287-T296 HydrophobicContact CG2-CG2 3.33Å; R294-T296 PolarHBondContact O-N 3.38Å
297	I	89.6	Confident	90.4	Very high	27 Å²	27	54 Å²	54	14%	0.138	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.7	-179.3	-62.2	169	0	0	0	108	T287 K288 C290 A295 M306 F317 W319	T287-I297 WeakPolarHBondContact CA-O 3.22Å; K288-I297 PolarHBondContact N-O 2.78Å; K288-I297 PolarHBondContact O-N 3.46Å; K288-I297 VanDerWaalsContact O-O 3.1Å; C290-I297 HydrophobicContact CB-CD1 3.84Å; A295-I297 PolarHBondContact O-N 3.36Å; I297-M306 HydrophobicContact CG2-SD 4.33Å; I297-F317 HydrophobicContact CD1-CE1 3.83Å; I297-F317 HydrophobicContact CD1-CZ 3.66Å; I297-W319 HydrophobicContact CB-CH2 4.48Å; I297-W319 HydrophobicContact CB-CZ3 4.05Å; I297-W319 HydrophobicContact CG2-CH2 4.26Å; I297-W319 HydrophobicContact CG2-CZ3 3.73Å; I297-W319 WeakPolarHBondContact O-CH2 3.47Å
298	E	88.1	Confident	91.1	Very high	144 Å²	144	51.1 Å²	51.1	67%	0.673	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	169.2	-173.2	-177.2	170.6	0	0	109.5	N286 N300	N286-E298 WeakPolarHBondContact O-CA 3.41Å; E298-N300 PolarHBondContact O-N 3.44Å
299	K	86.1	Confident	91.3	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	29%	0.293	C	S	.	.			trans	-74.3	120.3	179	-161.3	-176.9	-167.3	-175.3	0	109.9	N286 G301 N304 W319 N369 S373 F376	N286-K299 PolarHBondContact O-N 3.4Å; K299-G301 WeakPolarHBondContact CE-O 3.37Å; K299-N304 PolarHBondContact NZ-OD1 3.14Å; K299-W319 HydrophobicContact CB-CH2 4.18Å; K299-W319 HydrophobicContact CB-CZ2 3.78Å; K299-W319 HydrophobicContact CD-CD2 4.45Å; K299-W319 HydrophobicContact CD-CG 4.38Å; K299-W319 HydrophobicContact CG-CZ2 4.47Å; K299-N369 PolarHBondContact NZ-ND2 3.08Å; K299-N369 VanDerWaalsContact NZ-ND2 3.15Å; K299-S373 PolarHBondContact NZ-OG 2.9Å; K299-F376 HydrophobicContact CD-CE2 4.27Å; K299-F376 HydrophobicContact CG-CE2 4.28Å; K299-F376 WeakPolarHBondContact O-CZ 3.33Å
300	N	85.5	Confident	91.3	Very high	101 Å²	101	57.4 Å²	57.4	54%	0.54	29%	0.288	S	S	.	.			trans	-119.1	13.4	-177.4	74.9	-44.2	0	0	0	114	E298 R309	E298-N300 PolarHBondContact O-N 3.44Å; N300-R309 PolarHBondContact ND2-NH2 3.46Å; N300-R309 PolarHBondContact OD1-NH2 3.41Å
301	G	86.5	Confident	91.2	Very high	16 Å²	16	62.7 Å²	62.7	17%	0.165	32%	0.32	C	S	.	.	S	Bend	trans	-157.7	171.9	-176.3	0	0	0	0	0	112.5	K299 F376	K299-G301 WeakPolarHBondContact CE-O 3.37Å; G301-F376 WeakPolarHBondContact O-CD2 3.1Å
302	G	86.8	Confident	91.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-76.9	-32.7	-178.6	0	0	0	0	0	113.4	S373	G302-S373 WeakPolarHBondContact O-CB 3.48Å; G302-S373 PolarHBondContact O-OG 3.27Å
303	C	91.1	Very high	91.3	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.074	32%	0.321	C	S	.	.			trans	-64.3	134.8	-175.2	-166.2	0	0	0	0	112.5	H305 E449 S452	C303-H305 VanDerWaalsContact SG-CB 3.53Å; C303-H305 PolarHBondContact SG-N 2.83Å; C303-H305 VanDerWaalsContact SG-N 3.39Å; C303-E449 WeakPolarHBondContact CA-OE2 3.46Å; C303-S452 PolarHBondContact N-OG 3.28Å
304	N	92.3	Very high	91.2	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.335	C	S	.	.	S	Bend	trans	-88.1	-8.1	173.3	-72.9	-50.3	0	0	0	113.5	K299 M306 W319 M320 N369 E449	K299-N304 PolarHBondContact NZ-OD1 3.14Å; N304-M306 PolarHBondContact O-N 3.14Å; N304-W319 HydrophobicContact CB-CB 4.32Å; N304-W319 PolarHBondContact O-N 2.85Å; N304-M320 HydrophobicContact CB-CE 4.31Å; N304-N369 PolarHBondContact ND2-OD1 3.35Å; N304-N369 PolarHBondContact OD1-ND2 3.15Å; N304-N369 VanDerWaalsContact OD1-ND2 3.08Å; N304-N369 PolarHBondContact OD1-OD1 3.44Å; N304-E449 HydrophobicContact CB-CG 4.48Å; N304-E449 PolarHBondContact N-OE2 2.92Å; N304-E449 PolarHBondContact ND2-OE1 2.9Å
305	H	93.7	Very high	91.2	Very high	22 Å²	22	60.9 Å²	60.9	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.2	167.6	-173.2	-161.7	0	0	0	109.2	C303 E316 W325 E453	C303-H305 VanDerWaalsContact SG-CB 3.53Å; C303-H305 PolarHBondContact SG-N 2.83Å; C303-H305 VanDerWaalsContact SG-N 3.39Å; H305-E316 IonicContact NE2-OE2 3.81Å; H305-W325 HydrophobicContact CB-CD2 3.88Å; H305-W325 HydrophobicContact CB-CE3 3.99Å; H305-W325 HydrophobicContact CB-CH2 3.6Å; H305-W325 HydrophobicContact CB-CZ2 3.47Å; H305-W325 VanDerWaalsContact CB-CZ2 3.47Å; H305-W325 HydrophobicContact CB-CZ3 3.86Å; H305-W325 AromaticContact CD2-CD1 3.36Å; H305-W325 AromaticContact CD2-CD2 3.24Å; H305-W325 AromaticContact CD2-CE2 3.55Å; H305-W325 AromaticContact CD2-CE3 3.84Å; H305-W325 AromaticContact CD2-CG 3.16Å; H305-W325 AromaticContact CD2-NE1 3.56Å; H305-W325 AromaticContact CE1-CD1 3.62Å; H305-W325 AromaticContact CE1-NE1 3.7Å; H305-W325 AromaticContact CG-CD1 3.81Å; H305-W325 AromaticContact CG-CD2 3.56Å; H305-W325 AromaticContact CG-CE2 3.36Å; H305-W325 AromaticContact CG-CG 3.86Å; H305-W325 AromaticContact CG-CZ2 3.79Å; H305-W325 AromaticContact CG-NE1 3.49Å; H305-W325 AromaticContact ND1-CD1 3.92Å; H305-W325 AromaticContact ND1-CE2 3.88Å; H305-W325 AromaticContact ND1-NE1 3.56Å; H305-W325 AromaticContact NE2-CD1 3.25Å; H305-W325 AromaticContact NE2-CD2 3.99Å; H305-W325 AromaticContact NE2-CG 3.42Å; H305-W325 AromaticContact NE2-NE1 3.71Å; H305-E453 IonicContact CE1-OE1 3.21Å; H305-E453 IonicContact CE1-OE2 2.64Å; H305-E453 IonicContact CG-OE2 3.7Å; H305-E453 VanDerWaalsContact ND1-CD 3.27Å; H305-E453 IonicContact ND1-OE1 3.95Å; H305-E453 PolarHBondContact ND1-OE1 3.42Å; H305-E453 IonicContact ND1-OE2 3.99Å; H305-E453 PolarHBondContact ND1-OE2 2.94Å
306	M	92.9	Very high	91.4	Very high	24 Å²	24	63.9 Å²	63.9	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.1	-176.7	-63.9	-108.4	73.3	0	0	110.8	I297 N304 E316 F317 W319	I297-M306 HydrophobicContact CG2-SD 4.33Å; N304-M306 PolarHBondContact O-N 3.14Å; M306-E316 CarbonylContact O-C 3.55Å; M306-E316 VanDerWaalsContact O-CA 3.27Å; M306-E316 WeakPolarHBondContact O-CA 3.47Å; M306-F317 HydrophobicContact CB-CD1 4.12Å; M306-F317 HydrophobicContact CB-CD2 4.47Å; M306-F317 HydrophobicContact CB-CE1 3.7Å; M306-F317 HydrophobicContact CB-CE2 4.1Å; M306-F317 HydrophobicContact CB-CG 4.48Å; M306-F317 HydrophobicContact CB-CZ 3.69Å; M306-F317 HydrophobicContact CG-CE2 4.42Å; M306-F317 HydrophobicContact CG-CZ 4.28Å; M306-F317 PolarHBondContact N-O 3.12Å; M306-F317 PolarHBondContact O-N 3.16Å; M306-W319 HydrophobicContact CG-CB 3.88Å; M306-W319 HydrophobicContact CG-CD2 4.39Å; M306-W319 HydrophobicContact CG-CE3 3.8Å; M306-W319 HydrophobicContact CG-CG 4.48Å; M306-W319 HydrophobicContact SD-CB 4.47Å; M306-W319 HydrophobicContact SD-CD2 3.94Å; M306-W319 HydrophobicContact SD-CE3 3.22Å; M306-W319 HydrophobicContact SD-CG 4.48Å; M306-W319 HydrophobicContact SD-CZ3 3.67Å
307	T	93.2	Very high	91.6	Very high	69 Å²	69	59 Å²	59	42%	0.423	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.7	167.2	-46.6	0	0	0	0	109.3	R309 E316	T307-R309 PolarHBondContact O-N 2.95Å; T307-E316 HydrophobicContact CG2-CG 3.98Å
308	C	94	Very high	91.8	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.02	29%	0.289	C	S	.	.			trans	-62	125	177.7	-173.8	0	0	0	0	111.1	C293 N310 C313 K314 H315	C293-C308 VanDerWaalsContact SG-SG 3.6Å; C308-N310 VanDerWaalsContact C-N 3.26Å; C308-N310 PolarHBondContact O-N 2.82Å; C308-C313 HydrophobicContact CB-CB 4.26Å; C308-K314 WeakPolarHBondContact O-CA 3.23Å; C308-H315 PolarHBondContact N-O 3.1Å
309	R	91.9	Very high	92	Very high	194 Å²	194	50.9 Å²	50.9	73%	0.732	26%	0.257	S	S	*	.			trans	-74.8	-11.3	179.6	-64.2	-173.6	-176.2	175.5	4.9	114.3	N300 T307 V311	N300-R309 PolarHBondContact ND2-NH2 3.46Å; N300-R309 PolarHBondContact OD1-NH2 3.41Å; T307-R309 PolarHBondContact O-N 2.95Å; R309-V311 PolarHBondContact O-N 2.87Å
310	N	91.6	Very high	92.2	Very high	63 Å²	63	51.3 Å²	51.3	34%	0.337	26%	0.259	S	S	.	.			trans	-64.9	120.2	173	-177.1	-18	0	0	0	108.6	C308 D312 C313 K314	C308-N310 VanDerWaalsContact C-N 3.26Å; C308-N310 PolarHBondContact O-N 2.82Å; N310-D312 PolarHBondContact O-N 2.68Å; N310-D312 PolarHBondContact OD1-N 3Å; N310-C313 HydrophobicContact CB-CB 3.96Å; N310-C313 PolarHBondContact O-N 2.89Å; N310-K314 PolarHBondContact O-N 3.46Å; N310-K314 VanDerWaalsContact O-N 3.09Å
311	V	91.9	Very high	92.4	Very high	110 Å²	110	48.6 Å²	48.6	67%	0.667	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.2	-175.3	-177.1	0	0	0	0	111.8	R309 K314	R309-V311 PolarHBondContact O-N 2.87Å; V311-K314 WeakPolarHBondContact O-CE 3.43Å
312	D	94.2	Very high	92.7	Very high	151 Å²	151	50.8 Å²	50.8	81%	0.807	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.6	-179.4	-57.7	-39.1	0	0	0	113.4	N310	N310-D312 PolarHBondContact O-N 2.68Å; N310-D312 PolarHBondContact OD1-N 3Å
313	C	95	Very high	93	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.081	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-58.8	-174.4	-177.6	0	0	0	0	112.5	C293 C308 N310 H315	C293-C313 HydrophobicContact CB-CB 3.95Å; C308-C313 HydrophobicContact CB-CB 4.26Å; N310-C313 HydrophobicContact CB-CB 3.96Å; N310-C313 PolarHBondContact O-N 2.89Å; C313-H315 PolarHBondContact O-N 2.76Å
314	K	93.6	Very high	93.1	Very high	142 Å²	142	59.6 Å²	59.6	62%	0.617	29%	0.292	S	S	*	.			trans	42.1	24.3	-175.8	-60.6	-174.6	-177.9	-179.5	0	116	C308 N310 V311	C308-K314 WeakPolarHBondContact O-CA 3.23Å; N310-K314 PolarHBondContact O-N 3.46Å; N310-K314 VanDerWaalsContact O-N 3.09Å; V311-K314 WeakPolarHBondContact O-CE 3.43Å
315	H	94.7	Very high	93.2	Very high	50 Å²	50	61.3 Å²	61.3	23%	0.231	30%	0.298	C	S	.	.			trans	-71.8	134.6	-177.3	-176.9	57.1	0	0	0	110.9	K292 C308 C313	K292-H315 HydrophobicContact CB-CB 4.06Å; K292-H315 HydrophobicContact CD-CB 3.72Å; C308-H315 PolarHBondContact N-O 3.1Å; C313-H315 PolarHBondContact O-N 2.76Å
316	E	95.4	Very high	93.2	Very high	95 Å²	95	68.8 Å²	68.8	44%	0.444	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.1	176.5	-65.6	-178.9	161.3	0	0	110.5	H305 M306 T307 W325	H305-E316 IonicContact NE2-OE2 3.81Å; M306-E316 CarbonylContact O-C 3.55Å; M306-E316 VanDerWaalsContact O-CA 3.27Å; M306-E316 WeakPolarHBondContact O-CA 3.47Å; T307-E316 HydrophobicContact CG2-CG 3.98Å; E316-W325 HydrophobicContact CB-CB 4.12Å; E316-W325 PolarHBondContact O-N 2.87Å
317	F	95.4	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.5	-174.1	70.4	-80.6	0	0	0	111.5	P291 I297 M306 W319 L322 D323	P291-F317 HydrophobicContact CG-CB 3.95Å; P291-F317 HydrophobicContact CG-CD1 4.3Å; P291-F317 HydrophobicContact CG-CD2 4Å; P291-F317 HydrophobicContact CG-CG 3.82Å; I297-F317 HydrophobicContact CD1-CE1 3.83Å; I297-F317 HydrophobicContact CD1-CZ 3.66Å; M306-F317 HydrophobicContact CB-CD1 4.12Å; M306-F317 HydrophobicContact CB-CD2 4.47Å; M306-F317 HydrophobicContact CB-CE1 3.7Å; M306-F317 HydrophobicContact CB-CE2 4.1Å; M306-F317 HydrophobicContact CB-CG 4.48Å; M306-F317 HydrophobicContact CB-CZ 3.69Å; M306-F317 HydrophobicContact CG-CE2 4.42Å; M306-F317 HydrophobicContact CG-CZ 4.28Å; M306-F317 PolarHBondContact N-O 3.12Å; M306-F317 PolarHBondContact O-N 3.16Å; F317-W319 HydrophobicContact CE2-CE3 4.21Å; F317-W319 HydrophobicContact CZ-CE3 4.4Å; F317-L322 HydrophobicContact CD2-CD2 4.04Å; F317-L322 HydrophobicContact CE2-CD2 3.76Å; F317-D323 CarbonylContact C-O 3.49Å; F317-D323 VanDerWaalsContact CA-O 3.24Å; F317-D323 WeakPolarHBondContact CA-O 3.43Å; F317-D323 VanDerWaalsContact CB-O 3.3Å; F317-D323 WeakPolarHBondContact CB-O 3.43Å
318	C	94.4	Very high	93.1	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128	174.7	173.8	0	0	0	0	110.6	M320 C321 L322 D323 W325 H328	C318-M320 PolarHBondContact O-N 3.46Å; C318-M320 PolarHBondContact SG-N 3.19Å; C318-M320 VanDerWaalsContact SG-N 3.45Å; C318-C321 VanDerWaalsContact CB-SG 3.56Å; C318-L322 WeakPolarHBondContact O-CA 3.48Å; C318-L322 PolarHBondContact O-N 3.26Å; C318-D323 PolarHBondContact N-O 3.45Å; C318-W325 HydrophobicContact CB-CE3 3.76Å; C318-W325 HydrophobicContact CB-CZ3 3.9Å; C318-H328 VanDerWaalsContact CB-CE1 3.44Å; C318-H328 WeakPolarHBondContact CB-CE1 3.32Å; C318-H328 VanDerWaalsContact CB-NE2 3.32Å; C318-H328 WeakPolarHBondContact CB-NE2 3.45Å
319	W	92.3	Very high	92.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.2	178.9	-172.4	-99.1	0	0	0	113.5	A285 K288 I297 K299 N304 M306 F317	A285-W319 PolarHBondContact O-NE1 2.95Å; K288-W319 HydrophobicContact CB-CE3 4.44Å; K288-W319 HydrophobicContact CB-CH2 3.59Å; K288-W319 HydrophobicContact CB-CZ2 3.91Å; K288-W319 HydrophobicContact CB-CZ3 3.86Å; K288-W319 HydrophobicContact CD-CD2 4.12Å; K288-W319 HydrophobicContact CD-CE3 4.46Å; K288-W319 HydrophobicContact CD-CH2 4.39Å; K288-W319 HydrophobicContact CD-CZ2 3.96Å; K288-W319 HydrophobicContact CG-CH2 3.86Å; K288-W319 HydrophobicContact CG-CZ2 3.61Å; K288-W319 HydrophobicContact CG-CZ3 4.4Å; K288-W319 PolarHBondContact NZ-O 3.34Å; I297-W319 HydrophobicContact CB-CH2 4.48Å; I297-W319 HydrophobicContact CB-CZ3 4.05Å; I297-W319 HydrophobicContact CG2-CH2 4.26Å; I297-W319 HydrophobicContact CG2-CZ3 3.73Å; I297-W319 WeakPolarHBondContact O-CH2 3.47Å; K299-W319 HydrophobicContact CB-CH2 4.18Å; K299-W319 HydrophobicContact CB-CZ2 3.78Å; K299-W319 HydrophobicContact CD-CD2 4.45Å; K299-W319 HydrophobicContact CD-CG 4.38Å; K299-W319 HydrophobicContact CG-CZ2 4.47Å; N304-W319 HydrophobicContact CB-CB 4.32Å; N304-W319 PolarHBondContact O-N 2.85Å; M306-W319 HydrophobicContact CG-CB 3.88Å; M306-W319 HydrophobicContact CG-CD2 4.39Å; M306-W319 HydrophobicContact CG-CE3 3.8Å; M306-W319 HydrophobicContact CG-CG 4.48Å; M306-W319 HydrophobicContact SD-CB 4.47Å; M306-W319 HydrophobicContact SD-CD2 3.94Å; M306-W319 HydrophobicContact SD-CE3 3.22Å; M306-W319 HydrophobicContact SD-CG 4.48Å; M306-W319 HydrophobicContact SD-CZ3 3.67Å; F317-W319 HydrophobicContact CE2-CE3 4.21Å; F317-W319 HydrophobicContact CZ-CE3 4.4Å
320	M	89.4	Confident	92.4	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.059	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-56.2	-176.4	-70	-173.1	-74.9	0	0	112	N304 C318 R366 N369 E445	N304-M320 HydrophobicContact CB-CE 4.31Å; C318-M320 PolarHBondContact O-N 3.46Å; C318-M320 PolarHBondContact SG-N 3.19Å; C318-M320 VanDerWaalsContact SG-N 3.45Å; M320-R366 HydrophobicContact SD-CG 4.1Å; M320-N369 HydrophobicContact CG-CB 4.28Å; M320-N369 HydrophobicContact SD-CB 4.35Å; M320-E445 WeakPolarHBondContact CE-OE1 3.26Å
321	C	90.6	Very high	92	Very high	43 Å²	43	68.5 Å²	68.5	29%	0.291	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.6	-177.2	62.9	0	0	0	0	114.8	C318 D323 H328 C335	C318-C321 VanDerWaalsContact CB-SG 3.56Å; C321-D323 PolarHBondContact O-N 2.99Å; C321-H328 PolarHBondContact SG-NE2 2.71Å; C321-C335 VanDerWaalsContact CB-SG 3.51Å
322	L	92	Very high	91.8	Very high	62 Å²	62	71.7 Å²	71.7	33%	0.325	34%	0.335	S	S	.	.			trans	61.3	19.1	-174.7	-55.7	177.8	0	0	0	114.7	K288 P291 F317 C318	K288-L322 HydrophobicContact CD-CD1 4.4Å; K288-L322 HydrophobicContact CD-CD2 3.86Å; K288-L322 HydrophobicContact CD-CG 4.45Å; P291-L322 VanDerWaalsContact CB-O 3.25Å; P291-L322 WeakPolarHBondContact CB-O 3.37Å; P291-L322 WeakPolarHBondContact CG-O 3.3Å; F317-L322 HydrophobicContact CD2-CD2 4.04Å; F317-L322 HydrophobicContact CE2-CD2 3.76Å; C318-L322 WeakPolarHBondContact O-CA 3.48Å; C318-L322 PolarHBondContact O-N 3.26Å
323	D	93.3	Very high	91.5	Very high	71 Å²	71	66.4 Å²	66.4	38%	0.38	30%	0.304	S	S	.	.	S	Bend	trans	-97.1	166	172.6	-151.9	-15	0	0	0	111.1	F317 C318 C321 Y333	F317-D323 CarbonylContact C-O 3.49Å; F317-D323 VanDerWaalsContact CA-O 3.24Å; F317-D323 WeakPolarHBondContact CA-O 3.43Å; F317-D323 VanDerWaalsContact CB-O 3.3Å; F317-D323 WeakPolarHBondContact CB-O 3.43Å; C318-D323 PolarHBondContact N-O 3.45Å; C321-D323 PolarHBondContact O-N 2.99Å; D323-Y333 VanDerWaalsContact CB-OH 3.23Å; D323-Y333 WeakPolarHBondContact CB-OH 3.43Å; D323-Y333 PolarHBondContact OD2-OH 3.02Å
324	R	94.3	Very high	91.1	Very high	126 Å²	126	68.2 Å²	68.2	48%	0.475	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-52.4	142.6	178.5	55.1	175.9	177.3	-153.3	1.9	111.9	P327 H328	R324-P327 HydrophobicContact CG-CG 3.76Å; R324-P327 VanDerWaalsContact NE-CG 3.32Å; R324-P327 WeakPolarHBondContact O-CD 3.42Å; R324-H328 PolarHBondContact O-CE1 2.95Å; R324-H328 VanDerWaalsContact O-CE1 3.25Å; R324-H328 PolarHBondContact O-ND1 2.96Å; R324-H328 VanDerWaalsContact O-ND1 3.09Å
325	W	94.5	Very high	91	Very high	37 Å²	37	62 Å²	62	14%	0.14	29%	0.289	C	S	.	.	S	Bend	trans	-72.7	-43.4	-176.8	-173.3	-106.1	0	0	0	113.1	H305 E316 C318 P327 H328 E449	H305-W325 HydrophobicContact CB-CD2 3.88Å; H305-W325 HydrophobicContact CB-CE3 3.99Å; H305-W325 HydrophobicContact CB-CH2 3.6Å; H305-W325 HydrophobicContact CB-CZ2 3.47Å; H305-W325 VanDerWaalsContact CB-CZ2 3.47Å; H305-W325 HydrophobicContact CB-CZ3 3.86Å; H305-W325 AromaticContact CD2-CD1 3.36Å; H305-W325 AromaticContact CD2-CD2 3.24Å; H305-W325 AromaticContact CD2-CE2 3.55Å; H305-W325 AromaticContact CD2-CE3 3.84Å; H305-W325 AromaticContact CD2-CG 3.16Å; H305-W325 AromaticContact CD2-NE1 3.56Å; H305-W325 AromaticContact CE1-CD1 3.62Å; H305-W325 AromaticContact CE1-NE1 3.7Å; H305-W325 AromaticContact CG-CD1 3.81Å; H305-W325 AromaticContact CG-CD2 3.56Å; H305-W325 AromaticContact CG-CE2 3.36Å; H305-W325 AromaticContact CG-CG 3.86Å; H305-W325 AromaticContact CG-CZ2 3.79Å; H305-W325 AromaticContact CG-NE1 3.49Å; H305-W325 AromaticContact ND1-CD1 3.92Å; H305-W325 AromaticContact ND1-CE2 3.88Å; H305-W325 AromaticContact ND1-NE1 3.56Å; H305-W325 AromaticContact NE2-CD1 3.25Å; H305-W325 AromaticContact NE2-CD2 3.99Å; H305-W325 AromaticContact NE2-CG 3.42Å; H305-W325 AromaticContact NE2-NE1 3.71Å; E316-W325 HydrophobicContact CB-CB 4.12Å; E316-W325 PolarHBondContact O-N 2.87Å; C318-W325 HydrophobicContact CB-CE3 3.76Å; C318-W325 HydrophobicContact CB-CZ3 3.9Å; W325-P327 VanDerWaalsContact C-CD 3.42Å; W325-P327 WeakPolarHBondContact O-CD 3.41Å; W325-H328 VanDerWaalsContact O-CB 3.23Å; W325-H328 WeakPolarHBondContact O-CB 3.24Å; W325-H328 PolarHBondContact O-N 3.25Å; W325-H328 PolarHBondContact O-ND1 2.84Å; W325-E449 HydrophobicContact CH2-CB 3.91Å; W325-E449 HydrophobicContact CH2-CG 4.02Å; W325-E449 HydrophobicContact CZ2-CB 4.17Å
326	E	93.3	Very high	90.9	Very high	178 Å²	178	59.8 Å²	59.8	83%	0.832	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.4	-42.9	-171.7	-177.3	-168.1	174.9	0	0	116.1	H328	E326-H328 VanDerWaalsContact C-N 3.25Å; E326-H328 PolarHBondContact O-N 2.91Å
327	P	92.7	Very high	90.7	Very high	7 Å²	7	59 Å²	59	5%	0.045	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19	177.7	-23.2	36.8	0	0	0	115.1	R324 W325 G329 S330 W332 Y333	R324-P327 HydrophobicContact CG-CG 3.76Å; R324-P327 VanDerWaalsContact NE-CG 3.32Å; R324-P327 WeakPolarHBondContact O-CD 3.42Å; W325-P327 VanDerWaalsContact C-CD 3.42Å; W325-P327 WeakPolarHBondContact O-CD 3.41Å; P327-G329 PolarHBondContact O-N 3.22Å; P327-S330 VanDerWaalsContact O-CB 3.26Å; P327-S330 WeakPolarHBondContact O-CB 3.44Å; P327-S330 PolarHBondContact O-N 3.12Å; P327-S330 PolarHBondContact O-OG 3.14Å; P327-W332 HydrophobicContact CB-CH2 3.55Å; P327-W332 HydrophobicContact CB-CZ2 3.92Å; P327-W332 HydrophobicContact CB-CZ3 4.16Å; P327-W332 HydrophobicContact CG-CH2 3.84Å; P327-W332 HydrophobicContact CG-CZ2 4.41Å; P327-Y333 HydrophobicContact CB-CD1 3.95Å; P327-Y333 HydrophobicContact CB-CD2 3.91Å; P327-Y333 HydrophobicContact CB-CG 3.56Å
328	H	90.8	Very high	90.4	Very high	22 Å²	22	59.7 Å²	59.7	10%	0.102	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	125.8	-175.4	-71.3	71.4	0	0	0	110.1	C318 C321 R324 W325 E326 Y333 Q446	C318-H328 VanDerWaalsContact CB-CE1 3.44Å; C318-H328 WeakPolarHBondContact CB-CE1 3.32Å; C318-H328 VanDerWaalsContact CB-NE2 3.32Å; C318-H328 WeakPolarHBondContact CB-NE2 3.45Å; C321-H328 PolarHBondContact SG-NE2 2.71Å; R324-H328 PolarHBondContact O-CE1 2.95Å; R324-H328 VanDerWaalsContact O-CE1 3.25Å; R324-H328 PolarHBondContact O-ND1 2.96Å; R324-H328 VanDerWaalsContact O-ND1 3.09Å; W325-H328 VanDerWaalsContact O-CB 3.23Å; W325-H328 WeakPolarHBondContact O-CB 3.24Å; W325-H328 PolarHBondContact O-N 3.25Å; W325-H328 PolarHBondContact O-ND1 2.84Å; E326-H328 VanDerWaalsContact C-N 3.25Å; E326-H328 PolarHBondContact O-N 2.91Å; H328-Y333 AromaticContact CD2-CE1 3.99Å; H328-Y333 AromaticContact CE1-CE1 3.39Å; H328-Y333 WeakPolarHBondContact CE1-CE1 3.41Å; H328-Y333 AromaticContact CE1-CZ 3.99Å; H328-Y333 AromaticContact ND1-CE1 3.72Å; H328-Y333 AromaticContact NE2-CE1 3.56Å; H328-Q446 PolarHBondContact O-NE2 2.84Å
329	G	83.2	Confident	89.8	Confident	32 Å²	32	64.6 Å²	64.6	33%	0.33	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-8	-174.2	0	0	0	0	0	115.8	P327	P327-G329 PolarHBondContact O-N 3.22Å
330	S	88.3	Confident	89	Confident	33 Å²	33	65.6 Å²	65.6	23%	0.231	31%	0.306	C	S	.	.	S	Bend	trans	-72.8	152.1	165.2	72.7	0	0	0	0	110.2	P327 W332 Y333	P327-S330 VanDerWaalsContact O-CB 3.26Å; P327-S330 WeakPolarHBondContact O-CB 3.44Å; P327-S330 PolarHBondContact O-N 3.12Å; P327-S330 PolarHBondContact O-OG 3.14Å; S330-W332 PolarHBondContact O-N 3.06Å; S330-W332 VanDerWaalsContact OG-CE2 3.27Å; S330-W332 PolarHBondContact OG-NE1 3.44Å; S330-Y333 PolarHBondContact O-N 2.87Å; S330-Y333 WeakPolarHBondContact OG-CB 3.46Å
331	R	83.1	Confident	88.1	Confident	254 Å²	254	67.9 Å²	67.9	96%	0.958	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.9	-179.5	-68.1	-179.9	174.6	157.3	-1.3	114.1
332	W	87.1	Confident	86.8	Confident	177 Å²	177	68.5 Å²	68.5	67%	0.67	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.3	-173.4	58.5	-96.5	0	0	0	113.5	P327 S330	P327-W332 HydrophobicContact CB-CH2 3.55Å; P327-W332 HydrophobicContact CB-CZ2 3.92Å; P327-W332 HydrophobicContact CB-CZ3 4.16Å; P327-W332 HydrophobicContact CG-CH2 3.84Å; P327-W332 HydrophobicContact CG-CZ2 4.41Å; S330-W332 PolarHBondContact O-N 3.06Å; S330-W332 VanDerWaalsContact OG-CE2 3.27Å; S330-W332 PolarHBondContact OG-NE1 3.44Å
333	Y	88	Confident	85.3	Confident	40 Å²	40	66.7 Å²	66.7	16%	0.157	33%	0.325	C	S	.	.			trans	-116.1	120.7	-179.7	-173.3	-89	0	0	0	110.7	D323 P327 H328 S330 C335	D323-Y333 VanDerWaalsContact CB-OH 3.23Å; D323-Y333 WeakPolarHBondContact CB-OH 3.43Å; D323-Y333 PolarHBondContact OD2-OH 3.02Å; P327-Y333 HydrophobicContact CB-CD1 3.95Å; P327-Y333 HydrophobicContact CB-CD2 3.91Å; P327-Y333 HydrophobicContact CB-CG 3.56Å; H328-Y333 AromaticContact CD2-CE1 3.99Å; H328-Y333 AromaticContact CE1-CE1 3.39Å; H328-Y333 WeakPolarHBondContact CE1-CE1 3.41Å; H328-Y333 AromaticContact CE1-CZ 3.99Å; H328-Y333 AromaticContact ND1-CE1 3.72Å; H328-Y333 AromaticContact NE2-CE1 3.56Å; S330-Y333 PolarHBondContact O-N 2.87Å; S330-Y333 WeakPolarHBondContact OG-CB 3.46Å; Y333-C335 HydrophobicContact CE1-CB 4.13Å
334	T	86	Confident	83.9	Confident	49 Å²	49	71.7 Å²	71.7	30%	0.301	34%	0.344	S	S	.	.			trans	-128	109.4	-178.9	57.6	0	0	0	0	110.4
335	C	92.1	Very high	82.4	Confident	12 Å²	12	72.5 Å²	72.5	8%	0.081	36%	0.357	C	S	.	.	S	Bend	trans	-80.8	-25.1	174.5	175.3	0	0	0	0	112.2	C321 Y333 R366	C321-C335 VanDerWaalsContact CB-SG 3.51Å; Y333-C335 HydrophobicContact CE1-CB 4.13Å; C335-R366 PolarHBondContact O-NE 3.28Å; C335-R366 PolarHBondContact O-NH2 3.21Å
336	N	92.5	Very high	80.8	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.016	36%	0.363	C	S	.	.	S	Bend	trans	-84.7	-13.9	-172.6	67.2	-48.5	0	0	0	114.8	F362 Y422 E438 Q441	N336-F362 WeakPolarHBondContact O-CE1 3.32Å; N336-F362 WeakPolarHBondContact O-CZ 3.25Å; N336-Y422 HydrophobicContact CB-CE1 4.25Å; N336-Y422 WeakPolarHBondContact CB-OH 3.33Å; N336-E438 PolarHBondContact ND2-O 2.7Å; N336-Q441 PolarHBondContact ND2-OE1 3.45Å
337	R	91.5	Very high	79.3	Confident	80 Å²	80	75.7 Å²	75.7	30%	0.302	37%	0.368	S	S	.	.			trans	-91.8	134.2	-176.3	-63.1	-174.2	-179.3	160.5	-0.6	112	F362 E438	R337-F362 VanDerWaalsContact O-CZ 3.28Å; R337-F362 WeakPolarHBondContact O-CZ 3.23Å; R337-E438 WeakPolarHBondContact CD-OE2 3.48Å; R337-E438 HydrophobicContact CG-CB 3.99Å; R337-E438 HydrophobicContact CG-CG 4.14Å; R337-E438 IonicContact NE-OE2 3.23Å; R337-E438 PolarHBondContact NE-OE2 3.33Å
338	Y	88.5	Confident	78.1	Confident	13 Å²	13	82.2 Å²	82.2	5%	0.051	40%	0.398	C	S	.	.			trans	-85.9	134.4	170.1	-175.6	-107.6	0	0	0	110.2	D340 D358 R359 F362 K430	Y338-D340 VanDerWaalsContact CD1-OD1 3.22Å; Y338-D340 WeakPolarHBondContact CD1-OD1 3.41Å; Y338-D340 WeakPolarHBondContact CE1-OD1 3.44Å; Y338-D340 PolarHBondContact O-N 3.37Å; Y338-D358 WeakPolarHBondContact CE2-OD2 3.34Å; Y338-D358 PolarHBondContact OH-OD2 3.48Å; Y338-R359 HydrophobicContact CD1-CB 4.23Å; Y338-R359 HydrophobicContact CD1-CG 3.94Å; Y338-R359 HydrophobicContact CE1-CB 3.73Å; Y338-R359 HydrophobicContact CE1-CG 3.94Å; Y338-R359 HydrophobicContact CE2-CB 4.43Å; Y338-R359 HydrophobicContact CG-CG 4.45Å; Y338-F362 HydrophobicContact CD2-CB 3.7Å; Y338-F362 HydrophobicContact CD2-CD1 4.1Å; Y338-F362 AromaticContact CD2-CD2 3.68Å; Y338-F362 HydrophobicContact CD2-CD2 3.68Å; Y338-F362 HydrophobicContact CD2-CE2 4.29Å; Y338-F362 AromaticContact CD2-CG 3.57Å; Y338-F362 HydrophobicContact CD2-CG 3.57Å; Y338-F362 HydrophobicContact CE2-CB 4.15Å; Y338-F362 HydrophobicContact CE2-CG 4.44Å; Y338-F362 HydrophobicContact CG-CD1 4.36Å; Y338-F362 HydrophobicContact CG-CG 4.27Å; Y338-K430 PolarHBondContact O-NZ 3.01Å
339	D	82.6	Confident	76.8	Confident	105 Å²	105	85.4 Å²	85.4	56%	0.561	43%	0.428	S	S	*	.			trans	-90	97.9	177	-173.7	11.7	0	0	0	111.4	S341	D339-S341 PolarHBondContact O-N 3.41Å; D339-S341 WeakPolarHBondContact OD1-CB 3.17Å; D339-S341 PolarHBondContact OD1-N 2.87Å; D339-S341 PolarHBondContact OD1-OG 2.87Å; D339-S341 PolarHBondContact OD2-OG 3.49Å
340	D	74.4	Confident	76.1	Confident	21 Å²	21	90 Å²	90	11%	0.112	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	2.6	175.2	-57	-66.9	0	0	0	113.5	Y338 A342 A343 K344 R359 K430	Y338-D340 VanDerWaalsContact CD1-OD1 3.22Å; Y338-D340 WeakPolarHBondContact CD1-OD1 3.41Å; Y338-D340 WeakPolarHBondContact CE1-OD1 3.44Å; Y338-D340 PolarHBondContact O-N 3.37Å; D340-A342 VanDerWaalsContact C-N 3.31Å; D340-A342 PolarHBondContact O-N 2.94Å; D340-A343 HydrophobicContact CB-CB 4.48Å; D340-A343 WeakPolarHBondContact O-CA 3.37Å; D340-A343 WeakPolarHBondContact O-CB 3.5Å; D340-A343 PolarHBondContact O-N 2.9Å; D340-K344 PolarHBondContact O-N 3.33Å; D340-K344 VanDerWaalsContact O-N 3.14Å; D340-R359 IonicContact OD1-NH1 3.39Å; D340-R359 PolarHBondContact OD1-NH1 3.4Å; D340-R359 IonicContact OD2-NH1 3.45Å; D340-K430 IonicContact OD2-NZ 2.65Å
341	S	71.7	Confident	75.3	Confident	61 Å²	61	89.9 Å²	89.9	43%	0.427	44%	0.442	S	S	.	.	H	α-helix	trans	-58.8	-42.1	-178.2	70.5	0	0	0	0	112.3	D339 A343 K344	D339-S341 PolarHBondContact O-N 3.41Å; D339-S341 WeakPolarHBondContact OD1-CB 3.17Å; D339-S341 PolarHBondContact OD1-N 2.87Å; D339-S341 PolarHBondContact OD1-OG 2.87Å; D339-S341 PolarHBondContact OD2-OG 3.49Å; S341-A343 PolarHBondContact O-N 2.97Å; S341-K344 PolarHBondContact O-N 3.4Å
342	A	62.9	Low	74.7	Confident	56 Å²	56	80.9 Å²	80.9	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-31.8	174.2	0	0	0	0	0	111.9	D340 L345 L355	D340-A342 VanDerWaalsContact C-N 3.31Å; D340-A342 PolarHBondContact O-N 2.94Å; A342-L345 PolarHBondContact O-N 3.36Å; A342-L355 HydrophobicContact CB-CD2 4.13Å
343	A	61.5	Low	74	Confident	23 Å²	23	76.4 Å²	76.4	19%	0.19	41%	0.414	C	S	.	.	H	α-helix	trans	-69.7	-38.9	-179.8	0	0	0	0	0	113.1	D340 S341 L345 A346 L355	D340-A343 HydrophobicContact CB-CB 4.48Å; D340-A343 WeakPolarHBondContact O-CA 3.37Å; D340-A343 WeakPolarHBondContact O-CB 3.5Å; D340-A343 PolarHBondContact O-N 2.9Å; S341-A343 PolarHBondContact O-N 2.97Å; A343-L345 PolarHBondContact O-N 3.33Å; A343-A346 PolarHBondContact O-N 3.36Å; A343-L355 VanDerWaalsContact CA-CD1 3.45Å; A343-L355 HydrophobicContact CB-CB 4.3Å; A343-L355 HydrophobicContact CB-CD1 4.02Å; A343-L355 HydrophobicContact CB-CD2 4.05Å; A343-L355 HydrophobicContact CB-CG 4.34Å
344	K	62.3	Low	73.5	Confident	177 Å²	177	82.4 Å²	82.4	77%	0.77	44%	0.436	S	S	*	.	H	α-helix	trans	-66.8	-21.5	179.9	-69.8	-178.7	180	-179.1	0	113.9	D340 S341	D340-K344 PolarHBondContact O-N 3.33Å; D340-K344 VanDerWaalsContact O-N 3.14Å; S341-K344 PolarHBondContact O-N 3.4Å
345	L	62.7	Low	73	Confident	143 Å²	143	81.5 Å²	81.5	75%	0.749	43%	0.429	S	S	*	.	H	α-helix	trans	-90.6	-15.3	-177.3	-67	171	0	0	0	113.3	A342 A343 R347	A342-L345 PolarHBondContact O-N 3.36Å; A343-L345 PolarHBondContact O-N 3.33Å; L345-R347 PolarHBondContact O-N 3.34Å; L345-R347 VanDerWaalsContact O-N 3.15Å
346	A	60.8	Low	72.5	Confident	34 Å²	34	82.4 Å²	82.4	28%	0.281	44%	0.436	S	S	.	.			trans	-76.4	101.5	-177.5	0	0	0	0	0	112	A343 A351 L355	A343-A346 PolarHBondContact O-N 3.36Å; A346-A351 HydrophobicContact CB-CB 3.53Å; A346-L355 HydrophobicContact CB-CD1 3.22Å
347	R	62.6	Low	72.1	Confident	248 Å²	248	86.7 Å²	86.7	94%	0.936	46%	0.458	S	S	*	.			trans	-83.7	-13.4	175.5	-64.6	-175.4	-171.5	172.3	2.9	114	L345	L345-R347 PolarHBondContact O-N 3.34Å; L345-R347 VanDerWaalsContact O-N 3.15Å
348	E	67.8	Low	71.7	Confident	143 Å²	143	86.9 Å²	86.9	67%	0.668	47%	0.465	S	S	*	.	S	Bend	trans	-101.2	139	-174.7	-65.8	177.1	-177.6	0	0	111.9	Q350 A351 S352	E348-Q350 VanDerWaalsContact C-N 3.25Å; E348-Q350 PolarHBondContact O-N 3.17Å; E348-A351 HydrophobicContact CB-CB 4.41Å; E348-A351 WeakPolarHBondContact O-CA 3.27Å; E348-A351 WeakPolarHBondContact O-CB 3.43Å; E348-A351 PolarHBondContact O-N 3.32Å; E348-S352 PolarHBondContact O-N 3.11Å; E348-S352 VanDerWaalsContact O-N 3.1Å
349	A	62.9	Low	71.7	Confident	89 Å²	89	86.8 Å²	86.8	74%	0.736	47%	0.465	S	S	*	.	H	α-helix	trans	-57.2	-36.1	-178.7	0	0	0	0	0	113.2	A351 S352 S353	A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.39Å; A349-S352 PolarHBondContact O-N 2.81Å; A349-S353 PolarHBondContact O-N 3.5Å
350	Q	68	Low	72	Confident	130 Å²	130	82.5 Å²	82.5	61%	0.607	44%	0.441	S	S	*	.	H	α-helix	trans	-66.9	-32.8	176.5	-166.8	175.5	10.3	0	0	112.2	E348 R354	E348-Q350 VanDerWaalsContact C-N 3.25Å; E348-Q350 PolarHBondContact O-N 3.17Å; Q350-R354 WeakPolarHBondContact O-CG 3.4Å; Q350-R354 PolarHBondContact O-N 3.06Å
351	A	72.1	Confident	72.6	Confident	29 Å²	29	85.8 Å²	85.8	24%	0.24	46%	0.458	C	S	.	.	H	α-helix	trans	-70.7	-40.7	174.6	0	0	0	0	0	110.8	A346 E348 A349 S353 R354 L355	A346-A351 HydrophobicContact CB-CB 3.53Å; E348-A351 HydrophobicContact CB-CB 4.41Å; E348-A351 WeakPolarHBondContact O-CA 3.27Å; E348-A351 WeakPolarHBondContact O-CB 3.43Å; E348-A351 PolarHBondContact O-N 3.32Å; A349-A351 VanDerWaalsContact C-N 3.31Å; A349-A351 PolarHBondContact O-N 3.39Å; A351-S353 PolarHBondContact O-N 3.22Å; A351-R354 PolarHBondContact O-N 3.07Å; A351-L355 VanDerWaalsContact O-CD1 3.29Å; A351-L355 WeakPolarHBondContact O-CD1 3.19Å; A351-L355 VanDerWaalsContact O-CG 3.25Å; A351-L355 WeakPolarHBondContact O-CG 3.39Å; A351-L355 PolarHBondContact O-N 3.1Å
352	S	71.5	Confident	73.4	Confident	66 Å²	66	84.4 Å²	84.4	46%	0.462	44%	0.444	S	S	.	.	H	α-helix	trans	-58.3	-44.2	175.9	179.8	0	0	0	0	113	E348 A349 R354 L355 S356	E348-S352 PolarHBondContact O-N 3.11Å; E348-S352 VanDerWaalsContact O-N 3.1Å; A349-S352 PolarHBondContact O-N 2.81Å; S352-R354 PolarHBondContact O-N 3.26Å; S352-L355 PolarHBondContact O-N 2.88Å; S352-S356 PolarHBondContact O-N 3.4Å
353	S	72.5	Confident	74.9	Confident	83 Å²	83	82 Å²	82	58%	0.58	42%	0.423	S	S	*	.	H	α-helix	trans	-62.4	-41.8	175.9	174.1	0	0	0	0	112.6	A349 A351 L355 S356 L357	A349-S353 PolarHBondContact O-N 3.5Å; A351-S353 PolarHBondContact O-N 3.22Å; S353-L355 VanDerWaalsContact C-N 3.34Å; S353-L355 PolarHBondContact O-N 3.42Å; S353-S356 PolarHBondContact O-N 3.38Å; S353-L357 PolarHBondContact O-N 2.85Å
354	R	75.9	Confident	76.3	Confident	166 Å²	166	81.4 Å²	81.4	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-63.9	-38.7	176.4	-72.9	177.6	178.7	172	1.7	112.4	Q350 A351 S352 L357 D358	Q350-R354 WeakPolarHBondContact O-CG 3.4Å; Q350-R354 PolarHBondContact O-N 3.06Å; A351-R354 PolarHBondContact O-N 3.07Å; S352-R354 PolarHBondContact O-N 3.26Å; R354-L357 PolarHBondContact O-N 3.34Å; R354-D358 WeakPolarHBondContact O-CB 3.16Å; R354-D358 PolarHBondContact O-N 3.38Å
355	L	77.5	Confident	77.6	Confident	29 Å²	29	75.3 Å²	75.3	15%	0.152	39%	0.394	C	S	.	.	H	α-helix	trans	-69.9	-38.7	178.3	-69.5	157.1	0	0	0	112.3	A342 A343 A346 A351 S352 S353 L357 D358 R359	A342-L355 HydrophobicContact CB-CD2 4.13Å; A343-L355 VanDerWaalsContact CA-CD1 3.45Å; A343-L355 HydrophobicContact CB-CB 4.3Å; A343-L355 HydrophobicContact CB-CD1 4.02Å; A343-L355 HydrophobicContact CB-CD2 4.05Å; A343-L355 HydrophobicContact CB-CG 4.34Å; A346-L355 HydrophobicContact CB-CD1 3.22Å; A351-L355 VanDerWaalsContact O-CD1 3.29Å; A351-L355 WeakPolarHBondContact O-CD1 3.19Å; A351-L355 VanDerWaalsContact O-CG 3.25Å; A351-L355 WeakPolarHBondContact O-CG 3.39Å; A351-L355 PolarHBondContact O-N 3.1Å; S352-L355 PolarHBondContact O-N 2.88Å; S353-L355 VanDerWaalsContact C-N 3.34Å; S353-L355 PolarHBondContact O-N 3.42Å; L355-L357 VanDerWaalsContact C-N 3.32Å; L355-L357 PolarHBondContact O-N 2.8Å; L355-D358 PolarHBondContact O-N 2.93Å; L355-R359 VanDerWaalsContact O-CB 3.3Å; L355-R359 WeakPolarHBondContact O-CB 3.23Å; L355-R359 PolarHBondContact O-N 3.47Å
356	S	81.1	Confident	79	Confident	32 Å²	32	69.4 Å²	69.4	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-44.4	171.8	-179.6	0	0	0	0	111.1	S352 S353 Y360 I503	S352-S356 PolarHBondContact O-N 3.4Å; S353-S356 PolarHBondContact O-N 3.38Å; S356-Y360 WeakPolarHBondContact O-CB 3.46Å; S356-Y360 PolarHBondContact O-N 3.4Å; S356-I503 VanDerWaalsContact CB-CG2 3.48Å; S356-I503 PolarHBondContact OG-O 3.45Å
357	L	82.9	Confident	80.6	Confident	93 Å²	93	68.5 Å²	68.5	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-46	176.1	-179.4	62.2	0	0	0	112	S353 R354 L355 Y360 L361	S353-L357 PolarHBondContact O-N 2.85Å; R354-L357 PolarHBondContact O-N 3.34Å; L355-L357 VanDerWaalsContact C-N 3.32Å; L355-L357 PolarHBondContact O-N 2.8Å; L357-Y360 HydrophobicContact CD1-CD1 4.33Å; L357-Y360 WeakPolarHBondContact O-CB 3.28Å; L357-Y360 PolarHBondContact O-N 2.96Å; L357-L361 HydrophobicContact CD1-CD1 4.41Å; L357-L361 HydrophobicContact CD1-CG 4.26Å; L357-L361 HydrophobicContact CG-CD1 4.13Å; L357-L361 HydrophobicContact CG-CG 4.4Å; L357-L361 WeakPolarHBondContact O-CB 3.21Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.19Å
358	D	83.6	Confident	82	Confident	84 Å²	84	58.8 Å²	58.8	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-45.3	179	-176.3	57.9	0	0	0	112	Y338 R354 L355 Y360 L361 F362	Y338-D358 WeakPolarHBondContact CE2-OD2 3.34Å; Y338-D358 PolarHBondContact OH-OD2 3.48Å; R354-D358 WeakPolarHBondContact O-CB 3.16Å; R354-D358 PolarHBondContact O-N 3.38Å; L355-D358 PolarHBondContact O-N 2.93Å; D358-Y360 VanDerWaalsContact C-N 3.34Å; D358-Y360 PolarHBondContact O-N 3.46Å; D358-L361 PolarHBondContact O-N 2.96Å; D358-F362 PolarHBondContact O-N 3.45Å
359	R	88.1	Confident	83.1	Confident	10 Å²	10	52.2 Å²	52.2	4%	0.038	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-48.1	171.9	-175.9	178.4	171.7	93.1	4.6	110.9	Y338 D340 L355 L361 F362 Y363 A425 Y426 L428	Y338-R359 HydrophobicContact CD1-CB 4.23Å; Y338-R359 HydrophobicContact CD1-CG 3.94Å; Y338-R359 HydrophobicContact CE1-CB 3.73Å; Y338-R359 HydrophobicContact CE1-CG 3.94Å; Y338-R359 HydrophobicContact CE2-CB 4.43Å; Y338-R359 HydrophobicContact CG-CG 4.45Å; D340-R359 IonicContact OD1-NH1 3.39Å; D340-R359 PolarHBondContact OD1-NH1 3.4Å; D340-R359 IonicContact OD2-NH1 3.45Å; L355-R359 VanDerWaalsContact O-CB 3.3Å; L355-R359 WeakPolarHBondContact O-CB 3.23Å; L355-R359 PolarHBondContact O-N 3.47Å; R359-L361 PolarHBondContact O-N 3.42Å; R359-F362 WeakPolarHBondContact O-CB 3.08Å; R359-F362 PolarHBondContact O-N 2.78Å; R359-Y363 HydrophobicContact CG-CD2 3.88Å; R359-Y363 HydrophobicContact CG-CE2 3.72Å; R359-Y363 WeakPolarHBondContact O-CD2 3.45Å; R359-Y363 PolarHBondContact O-N 3.38Å; R359-A425 PolarHBondContact NH2-O 3.44Å; R359-Y426 PolarHBondContact NH2-O 2.86Å; R359-L428 PolarHBondContact NH2-O 2.95Å
360	Y	88.3	Confident	84.7	Confident	16 Å²	16	48 Å²	48	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-45.1	177.2	168.8	-106.3	0	0	0	112.5	W269 K272 D276 S356 L357 D358 F362 Y363 S364 Y426	W269-Y360 HydrophobicContact CH2-CD2 4.06Å; W269-Y360 HydrophobicContact CH2-CE2 4.03Å; W269-Y360 AromaticContact CZ3-CD2 3.81Å; W269-Y360 HydrophobicContact CZ3-CD2 3.81Å; W269-Y360 AromaticContact CZ3-CE2 3.89Å; W269-Y360 HydrophobicContact CZ3-CE2 3.89Å; K272-Y360 HydrophobicContact CB-CE2 4.16Å; K272-Y360 PolarHBondContact O-OH 3.48Å; D276-Y360 HydrophobicContact CB-CE1 4.14Å; D276-Y360 WeakPolarHBondContact CB-OH 3.48Å; D276-Y360 WeakPolarHBondContact OD2-CE1 3.41Å; D276-Y360 PolarHBondContact OD2-OH 2.96Å; S356-Y360 WeakPolarHBondContact O-CB 3.46Å; S356-Y360 PolarHBondContact O-N 3.4Å; L357-Y360 HydrophobicContact CD1-CD1 4.33Å; L357-Y360 WeakPolarHBondContact O-CB 3.28Å; L357-Y360 PolarHBondContact O-N 2.96Å; D358-Y360 VanDerWaalsContact C-N 3.34Å; D358-Y360 PolarHBondContact O-N 3.46Å; Y360-F362 VanDerWaalsContact C-N 3.29Å; Y360-F362 PolarHBondContact O-N 2.94Å; Y360-Y363 PolarHBondContact O-N 3.33Å; Y360-S364 VanDerWaalsContact O-CB 3.23Å; Y360-S364 WeakPolarHBondContact O-CB 3.37Å; Y360-S364 PolarHBondContact O-N 2.91Å; Y360-S364 PolarHBondContact O-OG 3.41Å; Y360-Y426 HydrophobicContact CD2-CE2 4.15Å
361	L	87.2	Confident	85.8	Confident	90 Å²	90	44.7 Å²	44.7	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-38.8	177.3	-71.2	174.6	0	0	0	111.5	L357 D358 R359 S364 N365	L357-L361 HydrophobicContact CD1-CD1 4.41Å; L357-L361 HydrophobicContact CD1-CG 4.26Å; L357-L361 HydrophobicContact CG-CD1 4.13Å; L357-L361 HydrophobicContact CG-CG 4.4Å; L357-L361 WeakPolarHBondContact O-CB 3.21Å; L357-L361 VanDerWaalsContact O-CG 3.29Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.19Å; D358-L361 PolarHBondContact O-N 2.96Å; R359-L361 PolarHBondContact O-N 3.42Å; L361-S364 WeakPolarHBondContact CA-OG 3.4Å; L361-S364 PolarHBondContact O-OG 3.3Å; L361-N365 WeakPolarHBondContact O-CB 3.23Å; L361-N365 PolarHBondContact O-N 3.46Å
362	F	89.8	Confident	86.7	Confident	32 Å²	32	44.4 Å²	44.4	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-50.8	176.3	178.3	-84.1	0	0	0	112.6	N336 R337 Y338 D358 R359 Y360 R366	N336-F362 WeakPolarHBondContact O-CE1 3.32Å; N336-F362 WeakPolarHBondContact O-CZ 3.25Å; R337-F362 VanDerWaalsContact O-CZ 3.28Å; R337-F362 WeakPolarHBondContact O-CZ 3.23Å; Y338-F362 HydrophobicContact CD2-CB 3.7Å; Y338-F362 HydrophobicContact CD2-CD1 4.1Å; Y338-F362 AromaticContact CD2-CD2 3.68Å; Y338-F362 HydrophobicContact CD2-CD2 3.68Å; Y338-F362 HydrophobicContact CD2-CE2 4.29Å; Y338-F362 AromaticContact CD2-CG 3.57Å; Y338-F362 HydrophobicContact CD2-CG 3.57Å; Y338-F362 HydrophobicContact CE2-CB 4.15Å; Y338-F362 HydrophobicContact CE2-CG 4.44Å; Y338-F362 HydrophobicContact CG-CD1 4.36Å; Y338-F362 HydrophobicContact CG-CG 4.27Å; D358-F362 PolarHBondContact O-N 3.45Å; R359-F362 WeakPolarHBondContact O-CB 3.08Å; R359-F362 PolarHBondContact O-N 2.78Å; Y360-F362 VanDerWaalsContact C-N 3.29Å; Y360-F362 PolarHBondContact O-N 2.94Å; F362-R366 PolarHBondContact O-NH1 2.64Å
363	Y	93.2	Very high	87.7	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-75.8	-39.6	-177.4	-73.2	-75.2	0	0	0	112.1	R359 Y360 R366 Y367 Y422 A425 Y426	R359-Y363 HydrophobicContact CG-CD2 3.88Å; R359-Y363 HydrophobicContact CG-CE2 3.72Å; R359-Y363 WeakPolarHBondContact O-CD2 3.45Å; R359-Y363 PolarHBondContact O-N 3.38Å; Y360-Y363 PolarHBondContact O-N 3.33Å; Y363-R366 PolarHBondContact O-N 3.38Å; Y363-Y367 WeakPolarHBondContact O-CB 3.4Å; Y363-Y367 PolarHBondContact O-N 2.98Å; Y363-Y422 AromaticContact CD1-CD1 3.88Å; Y363-Y422 HydrophobicContact CD1-CD1 3.88Å; Y363-Y422 WeakPolarHBondContact CD1-O 3.16Å; Y363-Y422 HydrophobicContact CE1-CD1 4.28Å; Y363-A425 HydrophobicContact CD1-CB 4.07Å; Y363-A425 HydrophobicContact CE1-CB 3.47Å; Y363-A425 VanDerWaalsContact CE1-CB 3.47Å; Y363-Y426 AromaticContact CD2-CD2 3.84Å; Y363-Y426 HydrophobicContact CD2-CD2 3.84Å; Y363-Y426 HydrophobicContact CD2-CG 4.45Å; Y363-Y426 HydrophobicContact CG-CD2 4.26Å
364	S	91.1	Very high	88.7	Confident	10 Å²	10	38.7 Å²	38.7	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-39.5	178.1	61.3	0	0	0	0	111.9	Y360 L361 R366 Y367 L368	Y360-S364 VanDerWaalsContact O-CB 3.23Å; Y360-S364 WeakPolarHBondContact O-CB 3.37Å; Y360-S364 PolarHBondContact O-N 2.91Å; Y360-S364 PolarHBondContact O-OG 3.41Å; L361-S364 WeakPolarHBondContact CA-OG 3.4Å; L361-S364 PolarHBondContact O-OG 3.3Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.48Å; S364-Y367 PolarHBondContact O-N 3.4Å; S364-L368 WeakPolarHBondContact O-CB 3.42Å; S364-L368 VanDerWaalsContact O-CG 3.23Å; S364-L368 WeakPolarHBondContact O-CG 3.34Å; S364-L368 PolarHBondContact O-N 3.22Å
365	N	89.5	Confident	89.4	Confident	50 Å²	50	37 Å²	37	27%	0.267	19%	0.185	S	C	.	.	H	α-helix	trans	-60	-44	175.9	-171	-94.5	0	0	0	111.8	L361 N369	L361-N365 WeakPolarHBondContact O-CB 3.23Å; L361-N365 PolarHBondContact O-N 3.46Å; N365-N369 WeakPolarHBondContact O-CB 3.42Å; N365-N369 PolarHBondContact O-N 2.86Å
366	R	93.3	Very high	89.9	Confident	19 Å²	19	37.3 Å²	37.3	7%	0.072	19%	0.185	C	C	.	.	H	α-helix	trans	-69.5	-42.6	179	-70.1	173.3	174.9	63.2	3.5	112.2	M320 C335 F362 Y363 S364 N369 H370 Y422	M320-R366 HydrophobicContact SD-CG 4.1Å; C335-R366 PolarHBondContact O-NE 3.28Å; C335-R366 PolarHBondContact O-NH2 3.21Å; F362-R366 PolarHBondContact O-NH1 2.64Å; Y363-R366 PolarHBondContact O-N 3.38Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.48Å; R366-N369 PolarHBondContact O-N 3.36Å; R366-H370 PolarHBondContact O-CD2 3.14Å; R366-H370 PolarHBondContact O-N 2.81Å; R366-Y422 HydrophobicContact CB-CD1 3.86Å; R366-Y422 HydrophobicContact CB-CD2 3.85Å; R366-Y422 HydrophobicContact CB-CE1 3.94Å; R366-Y422 HydrophobicContact CB-CE2 3.93Å; R366-Y422 HydrophobicContact CB-CG 3.8Å; R366-Y422 HydrophobicContact CG-CD1 4.49Å; R366-Y422 HydrophobicContact CG-CE1 4.17Å
367	Y	94	Very high	90.4	Very high	15 Å²	15	35.8 Å²	35.8	6%	0.059	18%	0.175	C	C	.	.	H	α-helix	trans	-55.8	-53.7	172.2	178.3	-84.3	0	0	0	111.3	W269 L273 Y363 S364 N369 H370 M371 M419 Y420 A423	W269-Y367 AromaticContact CD1-CE2 3.91Å; W269-Y367 HydrophobicContact CZ2-CG 4.19Å; W269-Y367 AromaticContact NE1-CD1 3.76Å; W269-Y367 AromaticContact NE1-CD2 3.29Å; W269-Y367 VanDerWaalsContact NE1-CD2 3.29Å; W269-Y367 AromaticContact NE1-CE1 3.96Å; W269-Y367 AromaticContact NE1-CE2 3.51Å; W269-Y367 AromaticContact NE1-CG 3.45Å; W269-Y367 AromaticContact NE1-CZ 3.86Å; L273-Y367 HydrophobicContact CD1-CD1 3.9Å; L273-Y367 HydrophobicContact CD1-CE1 3.69Å; Y363-Y367 WeakPolarHBondContact O-CB 3.4Å; Y363-Y367 PolarHBondContact O-N 2.98Å; S364-Y367 PolarHBondContact O-N 3.4Å; Y367-N369 VanDerWaalsContact C-N 3.34Å; Y367-N369 PolarHBondContact O-N 3.25Å; Y367-H370 PolarHBondContact O-N 2.67Å; Y367-M371 HydrophobicContact CE1-SD 4.34Å; Y367-M371 WeakPolarHBondContact O-CB 3.47Å; Y367-M371 PolarHBondContact O-N 2.68Å; Y367-M419 HydrophobicContact CD1-CG 4.41Å; Y367-M419 HydrophobicContact CD2-CG 3.57Å; Y367-M419 WeakPolarHBondContact CD2-O 3.48Å; Y367-M419 HydrophobicContact CE1-CG 4.32Å; Y367-M419 HydrophobicContact CE1-SD 4.33Å; Y367-M419 HydrophobicContact CE2-CE 4.24Å; Y367-M419 HydrophobicContact CE2-CG 3.48Å; Y367-M419 VanDerWaalsContact CE2-CG 3.48Å; Y367-M419 HydrophobicContact CE2-SD 4.13Å; Y367-M419 HydrophobicContact CG-CG 4.03Å; Y367-Y420 HydrophobicContact CE2-CD1 4.16Å; Y367-Y420 HydrophobicContact CE2-CE1 4.28Å; Y367-A423 HydrophobicContact CD2-CB 4.14Å; Y367-A423 HydrophobicContact CE2-CB 4.28Å
368	L	91.5	Very high	90.5	Very high	44 Å²	44	33.8 Å²	33.8	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-35.9	-177.9	-68.1	174.7	0	0	0	112	L273 S364 M371 Q372	L273-L368 HydrophobicContact CD2-CD1 4.5Å; L273-L368 HydrophobicContact CD2-CD2 4.47Å; L273-L368 HydrophobicContact CD2-CG 4.49Å; S364-L368 WeakPolarHBondContact O-CB 3.42Å; S364-L368 VanDerWaalsContact O-CG 3.23Å; S364-L368 WeakPolarHBondContact O-CG 3.34Å; S364-L368 PolarHBondContact O-N 3.22Å; L368-M371 HydrophobicContact CD2-CE 3.5Å; L368-M371 WeakPolarHBondContact O-CB 3.37Å; L368-M371 PolarHBondContact O-N 3.28Å; L368-Q372 WeakPolarHBondContact O-CB 3.38Å; L368-Q372 PolarHBondContact O-N 2.74Å
369	N	91.9	Very high	90.5	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-51.3	173.8	175.2	-83.9	0	0	0	111.5	K299 N304 M320 N365 R366 Y367 M371 Q372 S373	K299-N369 PolarHBondContact NZ-ND2 3.08Å; K299-N369 VanDerWaalsContact NZ-ND2 3.15Å; N304-N369 PolarHBondContact ND2-OD1 3.35Å; N304-N369 PolarHBondContact OD1-ND2 3.15Å; N304-N369 VanDerWaalsContact OD1-ND2 3.08Å; N304-N369 PolarHBondContact OD1-OD1 3.44Å; M320-N369 HydrophobicContact CG-CB 4.28Å; M320-N369 HydrophobicContact SD-CB 4.35Å; N365-N369 WeakPolarHBondContact O-CB 3.42Å; N365-N369 PolarHBondContact O-N 2.86Å; R366-N369 PolarHBondContact O-N 3.36Å; Y367-N369 VanDerWaalsContact C-N 3.34Å; Y367-N369 PolarHBondContact O-N 3.25Å; N369-M371 VanDerWaalsContact C-N 3.31Å; N369-M371 PolarHBondContact O-N 2.69Å; N369-Q372 PolarHBondContact O-N 2.72Å; N369-Q372 VanDerWaalsContact O-N 3.14Å; N369-S373 PolarHBondContact O-N 2.98Å; N369-S373 PolarHBondContact O-OG 2.92Å
370	H	94.8	Very high	90.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-35.4	178.2	-74.6	-50.1	0	0	0	112.3	R366 Y367 Q372 S373 L374 M419 Y422 E445 E449	R366-H370 PolarHBondContact O-CD2 3.14Å; R366-H370 PolarHBondContact O-N 2.81Å; Y367-H370 PolarHBondContact O-N 2.67Å; H370-Q372 VanDerWaalsContact C-N 3.29Å; H370-Q372 PolarHBondContact O-N 3.44Å; H370-S373 PolarHBondContact O-N 3.03Å; H370-L374 VanDerWaalsContact O-CB 3.31Å; H370-L374 WeakPolarHBondContact O-CB 3.47Å; H370-L374 PolarHBondContact O-N 2.83Å; H370-M419 HydrophobicContact CB-CB 3.88Å; H370-M419 HydrophobicContact CB-CG 4.45Å; H370-Y422 AromaticContact CD2-CD2 3.75Å; H370-Y422 AromaticContact CD2-CE2 3.58Å; H370-Y422 AromaticContact NE2-CE2 3.45Å; H370-Y422 WeakPolarHBondContact NE2-CE2 3.47Å; H370-E445 IonicContact NE2-OE2 2.92Å; H370-E449 IonicContact CE1-OE1 3.56Å
371	M	92.9	Very high	89.6	Confident	60 Å²	60	39.7 Å²	39.7	30%	0.296	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-43.1	171.9	-173.1	-178.1	64	0	0	111.3	Y367 L368 N369 K375 M419	Y367-M371 HydrophobicContact CE1-SD 4.34Å; Y367-M371 WeakPolarHBondContact O-CB 3.47Å; Y367-M371 PolarHBondContact O-N 2.68Å; L368-M371 HydrophobicContact CD2-CE 3.5Å; L368-M371 WeakPolarHBondContact O-CB 3.37Å; L368-M371 PolarHBondContact O-N 3.28Å; N369-M371 VanDerWaalsContact C-N 3.31Å; N369-M371 PolarHBondContact O-N 2.69Å; M371-K375 WeakPolarHBondContact O-CG 3.14Å; M371-K375 PolarHBondContact O-N 3.34Å; M371-M419 HydrophobicContact CB-CG 4.43Å; M371-M419 HydrophobicContact CB-SD 3.52Å; M371-M419 VanDerWaalsContact CB-SD 3.52Å; M371-M419 HydrophobicContact CG-SD 3.89Å
372	Q	90.3	Very high	89.3	Confident	23 Å²	23	42.4 Å²	42.4	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-44.5	176.9	-175	176.1	4.3	0	0	112	A285 N286 L368 N369 H370 L374 K375 F376	A285-Q372 VanDerWaalsContact CB-OE1 3.22Å; A285-Q372 PolarHBondContact O-OE1 3.23Å; N286-Q372 PolarHBondContact OD1-NE2 3.36Å; L368-Q372 WeakPolarHBondContact O-CB 3.38Å; L368-Q372 PolarHBondContact O-N 2.74Å; N369-Q372 PolarHBondContact O-N 2.72Å; N369-Q372 VanDerWaalsContact O-N 3.14Å; H370-Q372 VanDerWaalsContact C-N 3.29Å; H370-Q372 PolarHBondContact O-N 3.44Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 3.4Å; Q372-K375 WeakPolarHBondContact O-CB 3.16Å; Q372-K375 PolarHBondContact O-N 3.43Å; Q372-F376 HydrophobicContact CG-CD2 4.1Å; Q372-F376 HydrophobicContact CG-CE2 3.65Å; Q372-F376 HydrophobicContact CG-CZ 4.4Å; Q372-F376 WeakPolarHBondContact O-CD2 2.93Å; Q372-F376 PolarHBondContact O-N 2.93Å; Q372-F376 VanDerWaalsContact O-N 3.12Å
373	S	93.2	Very high	88.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57	-42.4	175.8	-73.5	0	0	0	0	111.8	K299 G302 N369 H370 K375 F376 E377	K299-S373 PolarHBondContact NZ-OG 2.9Å; G302-S373 WeakPolarHBondContact O-CB 3.48Å; G302-S373 PolarHBondContact O-OG 3.27Å; N369-S373 PolarHBondContact O-N 2.98Å; N369-S373 PolarHBondContact O-OG 2.92Å; H370-S373 PolarHBondContact O-N 3.03Å; S373-K375 VanDerWaalsContact C-N 3.28Å; S373-K375 PolarHBondContact O-N 2.99Å; S373-F376 WeakPolarHBondContact O-CB 3.44Å; S373-F376 PolarHBondContact O-N 3.12Å; S373-F376 VanDerWaalsContact O-N 3.09Å; S373-E377 WeakPolarHBondContact O-CG 3.45Å; S373-E377 PolarHBondContact O-N 2.54Å
374	L	92.8	Very high	87.7	Confident	29 Å²	29	44.3 Å²	44.3	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-37.2	175.1	-179.5	61.3	0	0	0	112.3	H370 Q372 E377 A378 C412 R415 R416	H370-L374 VanDerWaalsContact O-CB 3.31Å; H370-L374 WeakPolarHBondContact O-CB 3.47Å; H370-L374 PolarHBondContact O-N 2.83Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 3.4Å; L374-E377 PolarHBondContact O-N 3.34Å; L374-A378 WeakPolarHBondContact O-CB 3.31Å; L374-A378 PolarHBondContact O-N 2.86Å; L374-C412 HydrophobicContact CD1-CB 3.76Å; L374-C412 WeakPolarHBondContact CD1-O 3.27Å; L374-R415 HydrophobicContact CB-CG 3.88Å; L374-R415 HydrophobicContact CD1-CB 4.21Å; L374-R415 HydrophobicContact CD1-CG 4.4Å; L374-R416 HydrophobicContact CD2-CB 4.07Å; L374-R416 HydrophobicContact CD2-CG 4.5Å
375	K	90	Very high	87	Confident	129 Å²	129	49.4 Å²	49.4	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-66	-37.8	174.8	-69.4	175.3	-177.2	-179.8	0	112.1	M371 Q372 S373	M371-K375 WeakPolarHBondContact O-CG 3.14Å; M371-K375 PolarHBondContact O-N 3.34Å; Q372-K375 WeakPolarHBondContact O-CB 3.16Å; Q372-K375 PolarHBondContact O-N 3.43Å; S373-K375 VanDerWaalsContact C-N 3.28Å; S373-K375 PolarHBondContact O-N 2.99Å
376	F	89.3	Confident	86.4	Confident	36 Å²	36	50.2 Å²	50.2	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-41.7	173.8	-70.5	-56.5	0	0	0	111.3	K299 G301 Q372 S373 A378 R379 L380	K299-F376 HydrophobicContact CD-CE2 4.27Å; K299-F376 HydrophobicContact CG-CE2 4.28Å; K299-F376 WeakPolarHBondContact O-CZ 3.33Å; G301-F376 WeakPolarHBondContact O-CD2 3.1Å; Q372-F376 HydrophobicContact CG-CD2 4.1Å; Q372-F376 HydrophobicContact CG-CE2 3.65Å; Q372-F376 HydrophobicContact CG-CZ 4.4Å; Q372-F376 WeakPolarHBondContact O-CD2 2.93Å; Q372-F376 PolarHBondContact O-N 2.93Å; Q372-F376 VanDerWaalsContact O-N 3.12Å; S373-F376 WeakPolarHBondContact O-CB 3.44Å; S373-F376 PolarHBondContact O-N 3.12Å; S373-F376 VanDerWaalsContact O-N 3.09Å; F376-A378 VanDerWaalsContact C-N 3.34Å; F376-A378 PolarHBondContact O-N 2.91Å; F376-R379 WeakPolarHBondContact O-CB 3.37Å; F376-R379 PolarHBondContact O-N 2.83Å; F376-L380 PolarHBondContact O-N 3.28Å
377	E	90.4	Very high	85.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-33.1	179.3	-69.8	166.6	177.4	0	0	113.1	S373 L374 R379 L380 L411 R415 S452	S373-E377 WeakPolarHBondContact O-CG 3.45Å; S373-E377 PolarHBondContact O-N 2.54Å; L374-E377 PolarHBondContact O-N 3.34Å; E377-R379 PolarHBondContact O-N 2.84Å; E377-L380 HydrophobicContact CB-CD1 4.29Å; E377-L380 HydrophobicContact CG-CD1 4.09Å; E377-L380 VanDerWaalsContact O-CB 3.24Å; E377-L380 WeakPolarHBondContact O-CB 3.44Å; E377-L380 PolarHBondContact O-N 2.95Å; E377-L411 HydrophobicContact CB-CD2 4.35Å; E377-L411 HydrophobicContact CG-CD2 3.76Å; E377-L411 HydrophobicContact CG-CG 4.22Å; E377-R415 VanDerWaalsContact CD-NE 3.34Å; E377-R415 IonicContact OE1-CZ 3.94Å; E377-R415 IonicContact OE1-NE 3.81Å; E377-R415 PolarHBondContact OE1-NE 3.34Å; E377-R415 IonicContact OE1-NH2 3.42Å; E377-R415 PolarHBondContact OE1-NH2 3.29Å; E377-R415 VanDerWaalsContact OE2-CB 3.26Å; E377-R415 WeakPolarHBondContact OE2-CB 3.4Å; E377-R415 VanDerWaalsContact OE2-CG 3.27Å; E377-R415 WeakPolarHBondContact OE2-CG 3.3Å; E377-R415 IonicContact OE2-NE 2.78Å; E377-R415 PolarHBondContact OE2-NE 2.85Å; E377-S452 PolarHBondContact OE1-OG 3.44Å
378	A	84.9	Confident	84.5	Confident	52 Å²	52	52.5 Å²	52.5	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-30.8	172.1	0	0	0	0	0	112.1	L374 F376 L380 Y381	L374-A378 WeakPolarHBondContact O-CB 3.31Å; L374-A378 PolarHBondContact O-N 2.86Å; F376-A378 VanDerWaalsContact C-N 3.34Å; F376-A378 PolarHBondContact O-N 2.91Å; A378-L380 VanDerWaalsContact C-N 3.34Å; A378-Y381 WeakPolarHBondContact O-CD2 3.46Å
379	R	83.8	Confident	83.8	Confident	156 Å²	156	55.7 Å²	55.7	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-78	-18.2	174.4	-59.6	178.5	-172.3	170.7	0.7	112.9	F376 E377 Y381 E382 T383	F376-R379 WeakPolarHBondContact O-CB 3.37Å; F376-R379 PolarHBondContact O-N 2.83Å; E377-R379 PolarHBondContact O-N 2.84Å; R379-Y381 PolarHBondContact O-N 2.58Å; R379-E382 PolarHBondContact O-N 2.85Å; R379-E382 VanDerWaalsContact O-N 3.17Å; R379-T383 PolarHBondContact O-N 3.34Å
380	L	80.8	Confident	83.1	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-26.5	172.9	-75.1	164.7	0	0	0	111.3	F376 E377 A378 E382 T383 V384 V408 L411 D456	F376-L380 PolarHBondContact O-N 3.28Å; E377-L380 HydrophobicContact CB-CD1 4.29Å; E377-L380 HydrophobicContact CG-CD1 4.09Å; E377-L380 VanDerWaalsContact O-CB 3.24Å; E377-L380 WeakPolarHBondContact O-CB 3.44Å; E377-L380 PolarHBondContact O-N 2.95Å; A378-L380 VanDerWaalsContact C-N 3.34Å; L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 PolarHBondContact O-N 2.91Å; L380-T383 PolarHBondContact O-N 3.05Å; L380-V384 WeakPolarHBondContact O-CB 3.29Å; L380-V384 VanDerWaalsContact O-CG2 3.24Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.45Å; L380-V408 HydrophobicContact CB-CG1 4.36Å; L380-L411 HydrophobicContact CD1-CD2 4.33Å; L380-D456 WeakPolarHBondContact CD2-OD1 3.34Å
381	Y	78	Confident	82	Confident	62 Å²	62	59.9 Å²	59.9	24%	0.243	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-45	173.4	-83.1	-73.3	0	0	0	112.7	A378 R379 V384 Q385 K405 V408 E409	A378-Y381 WeakPolarHBondContact O-CD2 3.46Å; R379-Y381 PolarHBondContact O-N 2.58Å; Y381-V384 PolarHBondContact O-N 3.47Å; Y381-Q385 WeakPolarHBondContact O-CB 3.13Å; Y381-Q385 PolarHBondContact O-N 3.36Å; Y381-K405 HydrophobicContact CD1-CG 4.19Å; Y381-K405 HydrophobicContact CE1-CG 3.7Å; Y381-V408 HydrophobicContact CD1-CB 4.17Å; Y381-V408 HydrophobicContact CD1-CG1 4.06Å; Y381-V408 HydrophobicContact CD2-CB 4.49Å; Y381-V408 HydrophobicContact CD2-CG1 3.56Å; Y381-V408 HydrophobicContact CE1-CB 3.8Å; Y381-V408 HydrophobicContact CE1-CG1 3.9Å; Y381-V408 HydrophobicContact CE2-CB 4.18Å; Y381-V408 HydrophobicContact CE2-CG1 3.38Å; Y381-V408 HydrophobicContact CG-CB 4.5Å; Y381-V408 HydrophobicContact CG-CG1 3.9Å; Y381-E409 HydrophobicContact CE1-CG 4.26Å; Y381-E409 WeakPolarHBondContact OH-CA 3.49Å; Y381-E409 WeakPolarHBondContact OH-CB 3.4Å; Y381-E409 WeakPolarHBondContact OH-CG 3.49Å; Y381-E409 PolarHBondContact OH-N 3.38Å; Y381-E409 VanDerWaalsContact OH-N 3.08Å
382	E	78.9	Confident	81.1	Confident	147 Å²	147	60.3 Å²	60.3	69%	0.687	30%	0.298	S	S	*	.	H	α-helix	trans	-66.1	-43.7	-179.8	-63.3	175.6	-179.5	0	0	110.6	R379 L380 Q385 S386	R379-E382 PolarHBondContact O-N 2.85Å; R379-E382 VanDerWaalsContact O-N 3.17Å; L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 PolarHBondContact O-N 2.91Å; E382-Q385 PolarHBondContact O-N 3.47Å; E382-S386 PolarHBondContact O-N 3.15Å
383	T	76.4	Confident	80.4	Confident	67 Å²	67	63.6 Å²	63.6	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-44.1	178.3	-56.7	0	0	0	0	111.3	R379 L380 K387	R379-T383 PolarHBondContact O-N 3.34Å; L380-T383 PolarHBondContact O-N 3.05Å; T383-K387 HydrophobicContact CG2-CD 4.37Å; T383-K387 WeakPolarHBondContact O-CB 3.36Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 3.34Å
384	V	73.2	Confident	79.4	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.055	36%	0.356	C	S	.	.	H	α-helix	trans	-62.7	-46.7	175.8	161.6	0	0	0	0	109.8	L380 Y381 S386 K387 M388 F404 V408	L380-V384 WeakPolarHBondContact O-CB 3.29Å; L380-V384 VanDerWaalsContact O-CG2 3.24Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.45Å; Y381-V384 PolarHBondContact O-N 3.47Å; V384-S386 PolarHBondContact O-N 2.87Å; V384-K387 CarbonylContact O-C 3.54Å; V384-K387 WeakPolarHBondContact O-CB 3.39Å; V384-K387 PolarHBondContact O-N 3.13Å; V384-K387 VanDerWaalsContact O-N 3.12Å; V384-M388 HydrophobicContact CG1-CG 4Å; V384-M388 HydrophobicContact CG1-SD 3.7Å; V384-M388 WeakPolarHBondContact O-CB 3.38Å; V384-M388 WeakPolarHBondContact O-CG 3.2Å; V384-M388 PolarHBondContact O-N 2.9Å; V384-F404 HydrophobicContact CG1-CB 3.37Å; V384-F404 HydrophobicContact CG1-CG 4.21Å; V384-V408 HydrophobicContact CG2-CG2 3.9Å
385	Q	76.6	Confident	78.4	Confident	117 Å²	117	72.6 Å²	72.6	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-43.9	-178.8	-174.9	159.9	-17.3	0	0	112	Y381 E382 K387 M388 E389	Y381-Q385 WeakPolarHBondContact O-CB 3.13Å; Y381-Q385 PolarHBondContact O-N 3.36Å; E382-Q385 PolarHBondContact O-N 3.47Å; Q385-K387 VanDerWaalsContact C-N 3.35Å; Q385-K387 PolarHBondContact O-N 2.84Å; Q385-M388 WeakPolarHBondContact O-CB 3.45Å; Q385-M388 PolarHBondContact O-N 3.22Å; Q385-E389 WeakPolarHBondContact O-CG 3.49Å; Q385-E389 PolarHBondContact O-N 3.44Å
386	S	78.2	Confident	77.5	Confident	67 Å²	67	68.2 Å²	68.2	47%	0.469	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-41.2	173	177.3	0	0	0	0	112.6	E382 V384 E389 T390	E382-S386 PolarHBondContact O-N 3.15Å; V384-S386 PolarHBondContact O-N 2.87Å; S386-E389 PolarHBondContact O-N 2.81Å; S386-T390 PolarHBondContact O-N 3.35Å; S386-T390 PolarHBondContact O-OG1 3.06Å
387	K	71.3	Confident	76.7	Confident	57 Å²	57	69 Å²	69	25%	0.248	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-40.4	174.3	-76	177	177.7	178.9	0	111.8	T383 V384 Q385 T390 M391	T383-K387 HydrophobicContact CG2-CD 4.37Å; T383-K387 WeakPolarHBondContact O-CB 3.36Å; T383-K387 WeakPolarHBondContact O-CG 3.31Å; T383-K387 PolarHBondContact O-N 3.34Å; V384-K387 CarbonylContact O-C 3.54Å; V384-K387 WeakPolarHBondContact O-CB 3.39Å; V384-K387 PolarHBondContact O-N 3.13Å; V384-K387 VanDerWaalsContact O-N 3.12Å; Q385-K387 VanDerWaalsContact C-N 3.35Å; Q385-K387 PolarHBondContact O-N 2.84Å; K387-T390 PolarHBondContact O-N 2.74Å; K387-M391 VanDerWaalsContact O-CG 3.31Å; K387-M391 WeakPolarHBondContact O-CG 3.19Å; K387-M391 PolarHBondContact O-N 3.17Å
388	M	74.8	Confident	75.6	Confident	25 Å²	25	76.2 Å²	76.2	12%	0.123	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-43.9	177	-68.6	174.4	52.3	0	0	111.2	V384 Q385 M391 Q392 V401 F404	V384-M388 HydrophobicContact CG1-CG 4Å; V384-M388 HydrophobicContact CG1-SD 3.7Å; V384-M388 WeakPolarHBondContact O-CB 3.38Å; V384-M388 WeakPolarHBondContact O-CG 3.2Å; V384-M388 PolarHBondContact O-N 2.9Å; Q385-M388 WeakPolarHBondContact O-CB 3.45Å; Q385-M388 PolarHBondContact O-N 3.22Å; M388-M391 PolarHBondContact O-N 2.98Å; M388-Q392 WeakPolarHBondContact O-CG 3.45Å; M388-Q392 PolarHBondContact O-N 3.38Å; M388-V401 HydrophobicContact CB-CB 3.91Å; M388-V401 HydrophobicContact CB-CG1 4.48Å; M388-V401 HydrophobicContact CB-CG2 4.14Å; M388-V401 VanDerWaalsContact CE-C 3.5Å; M388-V401 HydrophobicContact CE-CB 3.96Å; M388-V401 HydrophobicContact CE-CG2 3.82Å; M388-V401 VanDerWaalsContact CE-O 3.23Å; M388-V401 WeakPolarHBondContact CE-O 3.33Å; M388-V401 HydrophobicContact CG-CB 3.83Å; M388-V401 HydrophobicContact CG-CG2 4.45Å; M388-V401 VanDerWaalsContact SD-O 3.4Å; M388-F404 HydrophobicContact CG-CB 4.42Å; M388-F404 HydrophobicContact CG-CD2 4.22Å; M388-F404 HydrophobicContact SD-CB 4.2Å
389	E	78.5	Confident	74.8	Confident	111 Å²	111	79.6 Å²	79.6	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.1	-71.8	169.8	-172.2	0	0	111.6	Q385 S386 M391 Q392 S393	Q385-E389 WeakPolarHBondContact O-CG 3.49Å; Q385-E389 PolarHBondContact O-N 3.44Å; S386-E389 PolarHBondContact O-N 2.81Å; E389-M391 PolarHBondContact O-N 3.01Å; E389-Q392 WeakPolarHBondContact O-CB 3.49Å; E389-Q392 PolarHBondContact O-N 3.22Å; E389-S393 PolarHBondContact O-N 2.78Å; E389-S393 VanDerWaalsContact O-N 3.09Å
390	T	76.5	Confident	74	Confident	70 Å²	70	74.8 Å²	74.8	43%	0.429	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-46.3	175.7	-53.1	0	0	0	0	111.1	S386 K387 Q392 S393 H394	S386-T390 PolarHBondContact O-N 3.35Å; S386-T390 PolarHBondContact O-OG1 3.06Å; K387-T390 PolarHBondContact O-N 2.74Å; T390-Q392 VanDerWaalsContact C-N 3.32Å; T390-Q392 PolarHBondContact O-N 2.8Å; T390-S393 WeakPolarHBondContact O-CB 3.43Å; T390-S393 PolarHBondContact O-N 2.77Å; T390-S393 VanDerWaalsContact O-N 3.15Å; T390-S393 PolarHBondContact O-OG 3.26Å; T390-H394 PolarHBondContact O-CD2 3.28Å; T390-H394 PolarHBondContact O-N 2.76Å
391	M	72.1	Confident	73.5	Confident	24 Å²	24	74 Å²	74	12%	0.118	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-34.6	178.1	-71.6	176.1	-177	0	0	113	K387 M388 E389 S393 H394 T396 V401 F404 L459 L464	K387-M391 VanDerWaalsContact O-CG 3.31Å; K387-M391 WeakPolarHBondContact O-CG 3.19Å; K387-M391 PolarHBondContact O-N 3.17Å; M388-M391 PolarHBondContact O-N 2.98Å; E389-M391 PolarHBondContact O-N 3.01Å; M391-S393 VanDerWaalsContact C-N 3.34Å; M391-H394 PolarHBondContact O-N 3.33Å; M391-T396 VanDerWaalsContact O-CB 3.23Å; M391-T396 WeakPolarHBondContact O-CB 3.43Å; M391-T396 PolarHBondContact O-N 3.12Å; M391-T396 VanDerWaalsContact O-N 3.14Å; M391-T396 PolarHBondContact O-OG1 3.2Å; M391-V401 HydrophobicContact CB-CG1 3.99Å; M391-V401 HydrophobicContact SD-CG1 4.4Å; M391-F404 HydrophobicContact SD-CE2 4.14Å; M391-L459 HydrophobicContact CE-CB 4.43Å; M391-L464 HydrophobicContact CE-CD2 3.65Å; M391-L464 HydrophobicContact SD-CD1 4.35Å; M391-L464 HydrophobicContact SD-CD2 3.63Å
392	Q	73.5	Confident	73.4	Confident	69 Å²	69	76.7 Å²	76.7	32%	0.322	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-40.1	173.3	-77	171.9	12.5	0	0	111.8	M388 E389 T390 H394 G395 V401	M388-Q392 WeakPolarHBondContact O-CG 3.45Å; M388-Q392 PolarHBondContact O-N 3.38Å; E389-Q392 WeakPolarHBondContact O-CB 3.49Å; E389-Q392 PolarHBondContact O-N 3.22Å; T390-Q392 VanDerWaalsContact C-N 3.32Å; T390-Q392 PolarHBondContact O-N 2.8Å; Q392-H394 PolarHBondContact O-N 2.86Å; Q392-G395 PolarHBondContact O-N 2.76Å; Q392-V401 HydrophobicContact CG-CG2 3.98Å
393	S	75.4	Confident	73.5	Confident	92 Å²	92	70.9 Å²	70.9	64%	0.643	38%	0.381	S	S	*	.	H	α-helix	trans	-61.7	-27.1	175.9	80.1	0	0	0	0	112.8	E389 T390 M391 G395	E389-S393 PolarHBondContact O-N 2.78Å; E389-S393 VanDerWaalsContact O-N 3.09Å; T390-S393 WeakPolarHBondContact O-CB 3.43Å; T390-S393 PolarHBondContact O-N 2.77Å; T390-S393 VanDerWaalsContact O-N 3.15Å; T390-S393 PolarHBondContact O-OG 3.26Å; M391-S393 VanDerWaalsContact C-N 3.34Å; S393-G395 VanDerWaalsContact C-N 3.29Å; S393-G395 PolarHBondContact O-N 3.01Å
394	H	73.1	Confident	73.7	Confident	149 Å²	149	68 Å²	68	69%	0.69	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	10.7	174.8	-64.6	-59.5	0	0	0	114.1	T390 M391 Q392	T390-H394 PolarHBondContact O-CD2 3.28Å; T390-H394 PolarHBondContact O-N 2.76Å; M391-H394 PolarHBondContact O-N 3.33Å; Q392-H394 PolarHBondContact O-N 2.86Å
395	G	71.2	Confident	74.2	Confident	70 Å²	70	72.9 Å²	72.9	72%	0.722	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	10.8	174.4	0	0	0	0	0	115.3	Q392 S393	Q392-G395 PolarHBondContact O-N 2.76Å; S393-G395 VanDerWaalsContact C-N 3.29Å; S393-G395 PolarHBondContact O-N 3.01Å
396	T	70.3	Confident	74.7	Confident	36 Å²	36	72 Å²	72	22%	0.221	38%	0.378	C	S	.	.			trans	-76.4	134.3	173.9	-47.3	0	0	0	0	110.2	M391 D400 V401 L464	M391-T396 VanDerWaalsContact O-CB 3.23Å; M391-T396 WeakPolarHBondContact O-CB 3.43Å; M391-T396 PolarHBondContact O-N 3.12Å; M391-T396 VanDerWaalsContact O-N 3.14Å; M391-T396 PolarHBondContact O-OG1 3.2Å; T396-D400 HydrophobicContact CG2-CB 3.77Å; T396-V401 HydrophobicContact CG2-CG1 4.08Å; T396-L464 HydrophobicContact CG2-CD1 4.3Å
397	S	72.4	Confident	75.3	Confident	54 Å²	54	69 Å²	69	38%	0.378	36%	0.357	S	S	.	.			trans	-61.2	143.1	-179.7	177.6	0	0	0	0	111.9	I399 D400 V401	S397-I399 PolarHBondContact O-N 3.24Å; S397-I399 VanDerWaalsContact O-N 3.15Å; S397-I399 PolarHBondContact OG-N 2.96Å; S397-D400 WeakPolarHBondContact CB-OD2 3.41Å; S397-D400 WeakPolarHBondContact O-CA 3.37Å; S397-D400 WeakPolarHBondContact O-CB 3.44Å; S397-D400 PolarHBondContact O-N 3.23Å; S397-V401 PolarHBondContact O-N 3.45Å
398	W	67.5	Low	76.2	Confident	150 Å²	150	66.3 Å²	66.3	57%	0.568	35%	0.345	S	S	*	.	H	α-helix	trans	-54.6	-33.9	173.8	-176.1	91.8	0	0	0	112.4	D400 V401 K402	W398-D400 VanDerWaalsContact C-N 3.31Å; W398-D400 PolarHBondContact O-N 3.48Å; W398-V401 VanDerWaalsContact O-CG2 3.23Å; W398-V401 WeakPolarHBondContact O-CG2 3.22Å; W398-V401 PolarHBondContact O-N 2.9Å; W398-K402 HydrophobicContact CE3-CD 4.46Å; W398-K402 HydrophobicContact CH2-CD 3.68Å; W398-K402 HydrophobicContact CH2-CG 4.48Å; W398-K402 HydrophobicContact CZ2-CD 4.35Å; W398-K402 HydrophobicContact CZ3-CD 3.74Å; W398-K402 PolarHBondContact O-N 3.5Å; W398-K402 VanDerWaalsContact O-N 3.12Å
399	I	69.5	Low	76.9	Confident	123 Å²	123	68.4 Å²	68.4	63%	0.631	36%	0.355	S	S	*	.	H	α-helix	trans	-63.5	-40.1	176.3	-59.8	172.1	0	0	0	110.6	S397 V401 K402	S397-I399 PolarHBondContact O-N 3.24Å; S397-I399 VanDerWaalsContact O-N 3.15Å; S397-I399 PolarHBondContact OG-N 2.96Å; I399-V401 PolarHBondContact O-N 2.81Å; I399-K402 PolarHBondContact O-N 2.81Å
400	D	66.7	Low	77.6	Confident	55 Å²	55	63.5 Å²	63.5	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-73.4	-12.9	-178.8	-73.1	-42.2	0	0	0	113.5	T396 S397 W398 F403 K468	T396-D400 HydrophobicContact CG2-CB 3.77Å; S397-D400 WeakPolarHBondContact CB-OD2 3.41Å; S397-D400 WeakPolarHBondContact O-CA 3.37Å; S397-D400 WeakPolarHBondContact O-CB 3.44Å; S397-D400 PolarHBondContact O-N 3.23Å; W398-D400 VanDerWaalsContact C-N 3.31Å; W398-D400 PolarHBondContact O-N 3.48Å; D400-F403 WeakPolarHBondContact O-CD1 3.32Å; D400-F403 WeakPolarHBondContact O-CE1 3.44Å; D400-K468 IonicContact OD1-NZ 3.84Å; D400-K468 PolarHBondContact OD1-NZ 2.76Å
401	V	69.6	Low	78.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-104.7	-22.3	176	-66.6	0	0	0	0	112.3	M388 M391 Q392 T396 S397 W398 I399 F403 F404	M388-V401 HydrophobicContact CB-CB 3.91Å; M388-V401 HydrophobicContact CB-CG1 4.48Å; M388-V401 HydrophobicContact CB-CG2 4.14Å; M388-V401 VanDerWaalsContact CE-C 3.5Å; M388-V401 HydrophobicContact CE-CB 3.96Å; M388-V401 HydrophobicContact CE-CG2 3.82Å; M388-V401 VanDerWaalsContact CE-O 3.23Å; M388-V401 WeakPolarHBondContact CE-O 3.33Å; M388-V401 HydrophobicContact CG-CB 3.83Å; M388-V401 HydrophobicContact CG-CG2 4.45Å; M388-V401 VanDerWaalsContact SD-O 3.4Å; M391-V401 HydrophobicContact CB-CG1 3.99Å; M391-V401 HydrophobicContact SD-CG1 4.4Å; Q392-V401 HydrophobicContact CG-CG2 3.98Å; T396-V401 HydrophobicContact CG2-CG1 4.08Å; S397-V401 PolarHBondContact O-N 3.45Å; W398-V401 VanDerWaalsContact O-CG2 3.23Å; W398-V401 WeakPolarHBondContact O-CG2 3.22Å; W398-V401 PolarHBondContact O-N 2.9Å; I399-V401 PolarHBondContact O-N 2.81Å; V401-F403 PolarHBondContact O-N 2.85Å; V401-F403 VanDerWaalsContact O-N 3.11Å; V401-F404 WeakPolarHBondContact O-CD2 3.35Å; V401-F404 PolarHBondContact O-N 2.67Å; V401-F404 VanDerWaalsContact O-N 3.14Å
402	K	75.9	Confident	79.5	Confident	118 Å²	118	59.6 Å²	59.6	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-27.3	179.9	-167	-179.1	-175.9	-178.9	0	113.4	W398 I399 F404 K405	W398-K402 HydrophobicContact CE3-CD 4.46Å; W398-K402 HydrophobicContact CH2-CD 3.68Å; W398-K402 HydrophobicContact CH2-CG 4.48Å; W398-K402 HydrophobicContact CZ2-CD 4.35Å; W398-K402 HydrophobicContact CZ3-CD 3.74Å; W398-K402 PolarHBondContact O-N 3.5Å; W398-K402 VanDerWaalsContact O-N 3.12Å; I399-K402 PolarHBondContact O-N 2.81Å; K402-F404 PolarHBondContact O-N 3.45Å; K402-K405 PolarHBondContact O-N 3.23Å
403	F	82.2	Confident	80.5	Confident	24 Å²	24	59.4 Å²	59.4	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-30	179.7	83.1	-86.3	0	0	0	112.7	D400 V401 K405 K406 L407 K468 M471 Q472	D400-F403 WeakPolarHBondContact O-CD1 3.32Å; D400-F403 WeakPolarHBondContact O-CE1 3.44Å; V401-F403 PolarHBondContact O-N 2.85Å; V401-F403 VanDerWaalsContact O-N 3.11Å; F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 2.65Å; F403-K406 WeakPolarHBondContact O-CA 3.36Å; F403-K406 WeakPolarHBondContact O-CB 3.23Å; F403-K406 PolarHBondContact O-N 3.45Å; F403-L407 HydrophobicContact CD2-CD1 3.56Å; F403-L407 HydrophobicContact CD2-CD2 4.42Å; F403-L407 HydrophobicContact CD2-CG 3.9Å; F403-L407 HydrophobicContact CE2-CD1 3.45Å; F403-L407 VanDerWaalsContact CE2-CD1 3.45Å; F403-L407 HydrophobicContact CE2-CG 4.3Å; F403-L407 WeakPolarHBondContact O-CG 3.16Å; F403-L407 PolarHBondContact O-N 3.44Å; F403-K468 HydrophobicContact CD1-CD 4.11Å; F403-K468 HydrophobicContact CD1-CG 4.01Å; F403-K468 HydrophobicContact CD2-CG 4.31Å; F403-K468 HydrophobicContact CE1-CB 4.06Å; F403-K468 HydrophobicContact CE1-CD 3.92Å; F403-K468 HydrophobicContact CE1-CG 3.69Å; F403-K468 HydrophobicContact CE2-CB 4.26Å; F403-K468 HydrophobicContact CE2-CG 3.99Å; F403-K468 HydrophobicContact CG-CG 4.33Å; F403-K468 HydrophobicContact CZ-CB 3.74Å; F403-K468 HydrophobicContact CZ-CD 4.41Å; F403-K468 HydrophobicContact CZ-CG 3.69Å; F403-M471 HydrophobicContact CE2-CB 4.49Å; F403-Q472 HydrophobicContact CD2-CG 4.02Å
404	F	80.3	Confident	81.5	Confident	6 Å²	6	55 Å²	55	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-39.2	-179.9	-75.6	-74.7	0	0	0	112.2	V384 M388 M391 V401 K402 K406 L407 V408 L455 L459 M471	V384-F404 HydrophobicContact CG1-CB 3.37Å; V384-F404 HydrophobicContact CG1-CG 4.21Å; M388-F404 HydrophobicContact CG-CB 4.42Å; M388-F404 HydrophobicContact CG-CD2 4.22Å; M388-F404 HydrophobicContact SD-CB 4.2Å; M391-F404 HydrophobicContact SD-CE2 4.14Å; V401-F404 WeakPolarHBondContact O-CD2 3.35Å; V401-F404 PolarHBondContact O-N 2.67Å; V401-F404 VanDerWaalsContact O-N 3.14Å; K402-F404 PolarHBondContact O-N 3.45Å; F404-K406 VanDerWaalsContact C-N 3.26Å; F404-K406 PolarHBondContact O-N 2.62Å; F404-L407 HydrophobicContact CD1-CD1 4.16Å; F404-L407 WeakPolarHBondContact O-CB 2.95Å; F404-L407 PolarHBondContact O-N 2.7Å; F404-L407 VanDerWaalsContact O-N 3.09Å; F404-V408 WeakPolarHBondContact O-CG2 3.33Å; F404-V408 PolarHBondContact O-N 3.06Å; F404-L455 HydrophobicContact CD1-CD2 4.42Å; F404-L459 HydrophobicContact CE1-CD1 3.62Å; F404-L459 HydrophobicContact CZ-CD1 4.06Å; F404-M471 HydrophobicContact CD1-SD 4.42Å; F404-M471 HydrophobicContact CE1-CE 4.43Å; F404-M471 HydrophobicContact CE1-SD 3.73Å
405	K	82.5	Confident	82.7	Confident	112 Å²	112	47.9 Å²	47.9	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-56.4	-44.8	174.3	-169.6	-176.7	175.7	175.5	0	110.8	Y381 K402 F403 L407 V408 E409	Y381-K405 HydrophobicContact CD1-CG 4.19Å; Y381-K405 HydrophobicContact CE1-CG 3.7Å; K402-K405 PolarHBondContact O-N 3.23Å; F403-K405 VanDerWaalsContact C-N 3.28Å; F403-K405 PolarHBondContact O-N 2.65Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 2.9Å; K405-V408 PolarHBondContact O-N 3.25Å; K405-E409 WeakPolarHBondContact CE-OE1 3.17Å; K405-E409 VanDerWaalsContact O-CG 3.31Å; K405-E409 WeakPolarHBondContact O-CG 3.34Å; K405-E409 PolarHBondContact O-N 3.44Å
406	K	87.7	Confident	83.9	Confident	99 Å²	99	47.1 Å²	47.1	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-35.9	177.9	-174.5	59.6	177	-179.3	0	112.3	F403 F404 E409 I410	F403-K406 WeakPolarHBondContact O-CA 3.36Å; F403-K406 WeakPolarHBondContact O-CB 3.23Å; F403-K406 PolarHBondContact O-N 3.45Å; F404-K406 VanDerWaalsContact C-N 3.26Å; F404-K406 PolarHBondContact O-N 2.62Å; K406-E409 WeakPolarHBondContact CD-OE2 3.5Å; K406-E409 WeakPolarHBondContact O-CB 3.47Å; K406-E409 PolarHBondContact O-N 2.92Å; K406-I410 HydrophobicContact CD-CD1 4.43Å; K406-I410 HydrophobicContact CG-CD1 4.09Å; K406-I410 VanDerWaalsContact O-CG1 3.28Å; K406-I410 WeakPolarHBondContact O-CG1 3.49Å; K406-I410 PolarHBondContact O-N 3.36Å
407	L	90.2	Very high	85.2	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-46.3	175.5	-60.6	179.2	0	0	0	111.8	F403 F404 K405 E409 I410 L411 L455 M471 A475	F403-L407 HydrophobicContact CD2-CD1 3.56Å; F403-L407 HydrophobicContact CD2-CD2 4.42Å; F403-L407 HydrophobicContact CD2-CG 3.9Å; F403-L407 HydrophobicContact CE2-CD1 3.45Å; F403-L407 VanDerWaalsContact CE2-CD1 3.45Å; F403-L407 HydrophobicContact CE2-CG 4.3Å; F403-L407 WeakPolarHBondContact O-CG 3.16Å; F403-L407 PolarHBondContact O-N 3.44Å; F404-L407 HydrophobicContact CD1-CD1 4.16Å; F404-L407 WeakPolarHBondContact O-CB 2.95Å; F404-L407 PolarHBondContact O-N 2.7Å; F404-L407 VanDerWaalsContact O-N 3.09Å; K405-L407 VanDerWaalsContact C-N 3.33Å; K405-L407 PolarHBondContact O-N 2.9Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 3.09Å; L407-I410 PolarHBondContact O-N 3.35Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 PolarHBondContact O-N 2.97Å; L407-L455 HydrophobicContact CB-CD1 4.29Å; L407-L455 HydrophobicContact CB-CD2 4.29Å; L407-L455 HydrophobicContact CD1-CD2 4.15Å; L407-M471 HydrophobicContact CD1-CB 3.61Å; L407-M471 HydrophobicContact CD1-CG 4.32Å; L407-M471 HydrophobicContact CD1-SD 3.95Å; L407-M471 HydrophobicContact CD2-CB 4.49Å; L407-A475 HydrophobicContact CD2-CB 3.35Å
408	V	90	Very high	86.4	Confident	0 Å²	0	43 Å²	43	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-36.6	177.4	-174.8	0	0	0	0	110.7	L380 Y381 V384 F404 K405 L411 C412	L380-V408 HydrophobicContact CB-CG1 4.36Å; Y381-V408 HydrophobicContact CD1-CB 4.17Å; Y381-V408 HydrophobicContact CD1-CG1 4.06Å; Y381-V408 HydrophobicContact CD2-CB 4.49Å; Y381-V408 HydrophobicContact CD2-CG1 3.56Å; Y381-V408 HydrophobicContact CE1-CB 3.8Å; Y381-V408 HydrophobicContact CE1-CG1 3.9Å; Y381-V408 HydrophobicContact CE2-CB 4.18Å; Y381-V408 HydrophobicContact CE2-CG1 3.38Å; Y381-V408 HydrophobicContact CG-CB 4.5Å; Y381-V408 HydrophobicContact CG-CG1 3.9Å; V384-V408 HydrophobicContact CG2-CG2 3.9Å; F404-V408 WeakPolarHBondContact O-CG2 3.33Å; F404-V408 PolarHBondContact O-N 3.06Å; K405-V408 PolarHBondContact O-N 3.25Å; V408-L411 PolarHBondContact O-N 3.33Å; V408-C412 WeakPolarHBondContact O-CB 3.3Å; V408-C412 PolarHBondContact O-N 3.29Å; V408-C412 PolarHBondContact O-SG 3.44Å
409	E	90.1	Very high	87.8	Confident	70 Å²	70	36.3 Å²	36.3	33%	0.327	17%	0.166	S	C	.	.	H	α-helix	trans	-60.1	-46.5	173.4	-73.3	170.9	-170.2	0	0	111.7	Y381 K405 K406 L407 R413	Y381-E409 HydrophobicContact CE1-CG 4.26Å; Y381-E409 WeakPolarHBondContact OH-CA 3.49Å; Y381-E409 WeakPolarHBondContact OH-CB 3.4Å; Y381-E409 WeakPolarHBondContact OH-CG 3.49Å; Y381-E409 PolarHBondContact OH-N 3.38Å; Y381-E409 VanDerWaalsContact OH-N 3.08Å; K405-E409 WeakPolarHBondContact CE-OE1 3.17Å; K405-E409 VanDerWaalsContact O-CG 3.31Å; K405-E409 WeakPolarHBondContact O-CG 3.34Å; K405-E409 PolarHBondContact O-N 3.44Å; K406-E409 WeakPolarHBondContact CD-OE2 3.5Å; K406-E409 WeakPolarHBondContact O-CB 3.47Å; K406-E409 PolarHBondContact O-N 2.92Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 3.09Å; E409-R413 VanDerWaalsContact O-CB 3.3Å; E409-R413 WeakPolarHBondContact O-CB 3.26Å; E409-R413 PolarHBondContact O-N 2.83Å
410	I	93.6	Very high	89.2	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-46.7	177.6	-69	164.7	0	0	0	110.2	K406 L407 R413 C414 L451 A475 E479	K406-I410 HydrophobicContact CD-CD1 4.43Å; K406-I410 HydrophobicContact CG-CD1 4.09Å; K406-I410 VanDerWaalsContact O-CG1 3.28Å; K406-I410 WeakPolarHBondContact O-CG1 3.49Å; K406-I410 PolarHBondContact O-N 3.36Å; L407-I410 PolarHBondContact O-N 3.35Å; I410-R413 PolarHBondContact O-N 2.91Å; I410-C414 WeakPolarHBondContact O-CB 3.38Å; I410-C414 PolarHBondContact O-N 3.43Å; I410-C414 PolarHBondContact O-SG 3.35Å; I410-L451 HydrophobicContact CG2-CD2 4.34Å; I410-A475 HydrophobicContact CD1-CB 3.9Å; I410-A475 HydrophobicContact CG2-CB 4.24Å; I410-E479 HydrophobicContact CG2-CB 4.13Å
411	L	94.9	Very high	90.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.2	-53.7	178.2	177.6	61.7	0	0	0	111.1	E377 L380 L407 V408 R413 C414 R415 T448 L451 L455	E377-L411 HydrophobicContact CB-CD2 4.35Å; E377-L411 HydrophobicContact CG-CD2 3.76Å; E377-L411 HydrophobicContact CG-CG 4.22Å; L380-L411 HydrophobicContact CD1-CD2 4.33Å; L407-L411 WeakPolarHBondContact O-CB 3.4Å; L407-L411 PolarHBondContact O-N 2.97Å; V408-L411 PolarHBondContact O-N 3.33Å; L411-R413 VanDerWaalsContact C-N 3.28Å; L411-R413 PolarHBondContact O-N 3.17Å; L411-C414 PolarHBondContact O-N 3.07Å; L411-R415 WeakPolarHBondContact O-CB 3.49Å; L411-R415 PolarHBondContact O-N 3.23Å; L411-T448 HydrophobicContact CD1-CG2 3.62Å; L411-L451 HydrophobicContact CB-CD2 3.98Å; L411-L451 HydrophobicContact CB-CG 4.46Å; L411-L451 HydrophobicContact CD1-CB 4.44Å; L411-L451 HydrophobicContact CD1-CD2 4.31Å; L411-L451 HydrophobicContact CD1-CG 4.36Å; L411-L455 HydrophobicContact CB-CD1 4.43Å; L411-L455 HydrophobicContact CD2-CD1 3.82Å
412	C	93.9	Very high	92	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.081	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-40.7	179.4	-69.4	0	0	0	0	112.1	L374 V408 R416	L374-C412 HydrophobicContact CD1-CB 3.76Å; L374-C412 WeakPolarHBondContact CD1-O 3.27Å; V408-C412 WeakPolarHBondContact O-CB 3.3Å; V408-C412 PolarHBondContact O-N 3.29Å; V408-C412 PolarHBondContact O-SG 3.44Å; C412-R416 VanDerWaalsContact O-CB 3.31Å; C412-R416 WeakPolarHBondContact O-CB 3.34Å; C412-R416 PolarHBondContact O-N 2.69Å
413	R	94	Very high	93	Very high	64 Å²	64	22.6 Å²	22.6	24%	0.242	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-42.2	178.8	-179.2	174.3	47.2	155.9	-1.4	112.1	E409 I410 L411 T417 E479	E409-R413 VanDerWaalsContact O-CB 3.3Å; E409-R413 WeakPolarHBondContact O-CB 3.26Å; E409-R413 PolarHBondContact O-N 2.83Å; I410-R413 PolarHBondContact O-N 2.91Å; L411-R413 VanDerWaalsContact C-N 3.28Å; L411-R413 PolarHBondContact O-N 3.17Å; R413-T417 WeakPolarHBondContact O-CB 3.31Å; R413-T417 PolarHBondContact O-N 3.03Å; R413-T417 PolarHBondContact O-OG1 2.98Å; R413-E479 IonicContact CZ-OE1 3.88Å; R413-E479 IonicContact NH1-OE1 3.45Å; R413-E479 PolarHBondContact NH1-OE1 3.42Å; R413-E479 IonicContact NH2-OE1 2.66Å; R413-E479 PolarHBondContact NH2-OE1 2.92Å; R413-E479 IonicContact NH2-OE2 3.65Å; R413-E479 PolarHBondContact NH2-OE2 3.19Å
414	C	97.1	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-43.7	176.1	-63.7	0	0	0	0	110.9	I410 L411 R416 T417 L418 L444 T448 C478	I410-C414 WeakPolarHBondContact O-CB 3.38Å; I410-C414 PolarHBondContact O-N 3.43Å; I410-C414 PolarHBondContact O-SG 3.35Å; L411-C414 PolarHBondContact O-N 3.07Å; C414-R416 PolarHBondContact O-N 3.06Å; C414-T417 WeakPolarHBondContact O-CB 3.49Å; C414-T417 PolarHBondContact O-N 3.45Å; C414-T417 VanDerWaalsContact O-N 3.17Å; C414-L418 PolarHBondContact O-N 3.17Å; C414-L444 HydrophobicContact CB-CD1 4.1Å; C414-T448 HydrophobicContact CB-CG2 4.25Å; C414-C478 PolarHBondContact SG-SG 2.69Å
415	R	96.6	Very high	94.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.6	-44.1	175.7	-167.9	73.1	65.1	-172.5	17.5	112.8	L374 E377 L411 T417 L418 M419 E449 S452	L374-R415 HydrophobicContact CB-CG 3.88Å; L374-R415 HydrophobicContact CD1-CB 4.21Å; L374-R415 HydrophobicContact CD1-CG 4.4Å; E377-R415 VanDerWaalsContact CD-NE 3.34Å; E377-R415 IonicContact OE1-CZ 3.94Å; E377-R415 IonicContact OE1-NE 3.81Å; E377-R415 PolarHBondContact OE1-NE 3.34Å; E377-R415 IonicContact OE1-NH2 3.42Å; E377-R415 PolarHBondContact OE1-NH2 3.29Å; E377-R415 VanDerWaalsContact OE2-CB 3.26Å; E377-R415 WeakPolarHBondContact OE2-CB 3.4Å; E377-R415 VanDerWaalsContact OE2-CG 3.27Å; E377-R415 WeakPolarHBondContact OE2-CG 3.3Å; E377-R415 IonicContact OE2-NE 2.78Å; E377-R415 PolarHBondContact OE2-NE 2.85Å; L411-R415 WeakPolarHBondContact O-CB 3.49Å; L411-R415 PolarHBondContact O-N 3.23Å; R415-T417 VanDerWaalsContact C-N 3.34Å; R415-L418 PolarHBondContact O-N 2.91Å; R415-M419 PolarHBondContact O-N 3.29Å; R415-E449 IonicContact CZ-OE1 2.62Å; R415-E449 IonicContact CZ-OE2 2.89Å; R415-E449 IonicContact NH1-OE1 3.33Å; R415-E449 PolarHBondContact NH1-OE1 3.48Å; R415-E449 IonicContact NH1-OE2 3.45Å; R415-E449 PolarHBondContact NH1-OE2 2.89Å; R415-E449 IonicContact NH2-OE1 2.87Å; R415-E449 IonicContact NH2-OE2 3.36Å; R415-E449 PolarHBondContact NH2-OE2 3.2Å; R415-S452 VanDerWaalsContact NH2-CB 3.31Å; R415-S452 PolarHBondContact NH2-OG 3.19Å
416	R	96.2	Very high	95.1	Very high	53 Å²	53	16.1 Å²	16.1	20%	0.2	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-44.7	173.7	-176	-175.2	-58.7	161.5	-0.9	111.3	W257 L374 C412 C414 M419 Y420	W257-R416 WeakPolarHBondContact O-CD 3.49Å; L374-R416 HydrophobicContact CD2-CB 4.07Å; L374-R416 HydrophobicContact CD2-CG 4.5Å; C412-R416 VanDerWaalsContact O-CB 3.31Å; C412-R416 WeakPolarHBondContact O-CB 3.34Å; C412-R416 PolarHBondContact O-N 2.69Å; C414-R416 PolarHBondContact O-N 3.06Å; R416-M419 WeakPolarHBondContact O-CB 3.09Å; R416-M419 PolarHBondContact O-N 3.03Å; R416-Y420 HydrophobicContact CG-CD2 3.89Å; R416-Y420 HydrophobicContact CG-CE2 3.59Å; R416-Y420 WeakPolarHBondContact O-CD2 2.86Å; R416-Y420 PolarHBondContact O-N 3.19Å; R416-Y420 VanDerWaalsContact O-N 3.17Å
417	T	97.9	Very high	95.4	Very high	5 Å²	5	11.8 Å²	11.8	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-61	-49.1	177.9	-52.1	0	0	0	0	110	R413 C414 R415 M419 Y420 T421 L444 R482 L486	R413-T417 WeakPolarHBondContact O-CB 3.31Å; R413-T417 PolarHBondContact O-N 3.03Å; R413-T417 PolarHBondContact O-OG1 2.98Å; C414-T417 WeakPolarHBondContact O-CB 3.49Å; C414-T417 PolarHBondContact O-N 3.45Å; C414-T417 VanDerWaalsContact O-N 3.17Å; R415-T417 VanDerWaalsContact C-N 3.34Å; T417-M419 VanDerWaalsContact C-N 3.35Å; T417-M419 PolarHBondContact O-N 3.08Å; T417-Y420 CarbonylContact O-C 3.57Å; T417-Y420 PolarHBondContact O-N 2.96Å; T417-T421 HydrophobicContact CG2-CG2 4.31Å; T417-T421 WeakPolarHBondContact O-CG2 3.39Å; T417-T421 PolarHBondContact O-N 3.36Å; T417-L444 HydrophobicContact CG2-CD2 4.48Å; T417-R482 HydrophobicContact CG2-CG 4.01Å; T417-R482 PolarHBondContact OG1-NE 3.49Å; T417-L486 HydrophobicContact CG2-CD1 4.26Å; T417-L486 HydrophobicContact CG2-CD2 3.81Å; T417-L486 HydrophobicContact CG2-CG 4.2Å
418	L	98	Very high	95.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-54.5	-46.5	175.5	-80	167.1	0	0	0	112.6	C414 R415 Y420 T421 Y422 Q441 L444 E445 T448	C414-L418 PolarHBondContact O-N 3.17Å; R415-L418 PolarHBondContact O-N 2.91Å; L418-Y420 VanDerWaalsContact C-N 3.29Å; L418-Y420 PolarHBondContact O-N 3.16Å; L418-T421 WeakPolarHBondContact CA-OG1 3.26Å; L418-T421 PolarHBondContact O-N 2.96Å; L418-T421 VanDerWaalsContact O-N 3.11Å; L418-T421 PolarHBondContact O-OG1 3.34Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.49Å; L418-Y422 PolarHBondContact O-N 2.86Å; L418-Q441 HydrophobicContact CD2-CG 4.27Å; L418-L444 HydrophobicContact CD1-CG 4.23Å; L418-L444 HydrophobicContact CD2-CB 4.23Å; L418-L444 HydrophobicContact CD2-CD2 3.9Å; L418-L444 HydrophobicContact CD2-CG 3.88Å; L418-L444 HydrophobicContact CG-CD2 3.85Å; L418-L444 HydrophobicContact CG-CG 3.89Å; L418-E445 HydrophobicContact CD1-CB 4.36Å; L418-E445 HydrophobicContact CD1-CG 4.45Å; L418-E445 HydrophobicContact CD2-CB 3.89Å; L418-E445 HydrophobicContact CD2-CG 4.41Å; L418-T448 HydrophobicContact CD1-CG2 3.93Å; L418-T448 WeakPolarHBondContact CD1-OG1 3.49Å
419	M	97.2	Very high	95.6	Very high	9 Å²	9	16 Å²	16	4%	0.044	7%	0.071	C	C	.	.	H	α-helix	trans	-52	-50.5	174.7	-178.6	-175.7	76.4	0	0	110.9	Y367 H370 M371 R415 R416 T417 T421 Y422	Y367-M419 HydrophobicContact CD1-CG 4.41Å; Y367-M419 HydrophobicContact CD2-CG 3.57Å; Y367-M419 WeakPolarHBondContact CD2-O 3.48Å; Y367-M419 HydrophobicContact CE1-CG 4.32Å; Y367-M419 HydrophobicContact CE1-SD 4.33Å; Y367-M419 HydrophobicContact CE2-CE 4.24Å; Y367-M419 HydrophobicContact CE2-CG 3.48Å; Y367-M419 VanDerWaalsContact CE2-CG 3.48Å; Y367-M419 HydrophobicContact CE2-SD 4.13Å; Y367-M419 HydrophobicContact CG-CG 4.03Å; H370-M419 HydrophobicContact CB-CB 3.88Å; H370-M419 HydrophobicContact CB-CG 4.45Å; M371-M419 HydrophobicContact CB-CG 4.43Å; M371-M419 HydrophobicContact CB-SD 3.52Å; M371-M419 VanDerWaalsContact CB-SD 3.52Å; M371-M419 HydrophobicContact CG-SD 3.89Å; R415-M419 PolarHBondContact O-N 3.29Å; R416-M419 WeakPolarHBondContact O-CB 3.09Å; R416-M419 PolarHBondContact O-N 3.03Å; T417-M419 VanDerWaalsContact C-N 3.35Å; T417-M419 PolarHBondContact O-N 3.08Å; M419-T421 PolarHBondContact O-N 3.27Å; M419-Y422 PolarHBondContact O-N 3.5Å
420	Y	98.3	Very high	95.6	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.035	8%	0.075	C	C	.	.	H	α-helix	trans	-73.5	-24.3	179.5	-68.4	-57.5	0	0	0	114.4	P256 W257 H258 V261 L266 Y367 R416 T417 L418 Y422 A423 F424	P256-Y420 PolarHBondContact O-OH 3Å; W257-Y420 WeakPolarHBondContact O-CE2 3.4Å; H258-Y420 VanDerWaalsContact CA-CD2 3.41Å; H258-Y420 VanDerWaalsContact CA-CE2 3.48Å; H258-Y420 HydrophobicContact CB-CD1 3.75Å; H258-Y420 HydrophobicContact CB-CD2 3.86Å; H258-Y420 HydrophobicContact CB-CE1 3.62Å; H258-Y420 HydrophobicContact CB-CE2 3.68Å; H258-Y420 HydrophobicContact CB-CG 3.86Å; V261-Y420 HydrophobicContact CG1-CD1 3.86Å; V261-Y420 HydrophobicContact CG1-CG 4.26Å; L266-Y420 HydrophobicContact CD1-CD1 4.08Å; L266-Y420 HydrophobicContact CD1-CE1 3.7Å; L266-Y420 HydrophobicContact CD2-CE1 4.16Å; Y367-Y420 HydrophobicContact CE2-CD1 4.16Å; Y367-Y420 HydrophobicContact CE2-CE1 4.28Å; R416-Y420 HydrophobicContact CG-CD2 3.89Å; R416-Y420 HydrophobicContact CG-CE2 3.59Å; R416-Y420 WeakPolarHBondContact O-CD2 2.86Å; R416-Y420 PolarHBondContact O-N 3.19Å; R416-Y420 VanDerWaalsContact O-N 3.17Å; T417-Y420 CarbonylContact O-C 3.57Å; T417-Y420 PolarHBondContact O-N 2.96Å; L418-Y420 VanDerWaalsContact C-N 3.29Å; L418-Y420 PolarHBondContact O-N 3.16Å; Y420-Y422 PolarHBondContact O-N 3.43Å; Y420-A423 PolarHBondContact O-N 2.87Å; Y420-F424 PolarHBondContact O-N 3.33Å
421	T	98.4	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-35	172.2	66.6	0	0	0	0	111.8	P260 T417 L418 M419 F424 A425 F437 Q441 L485	P260-T421 HydrophobicContact CG-CG2 4.05Å; T417-T421 HydrophobicContact CG2-CG2 4.31Å; T417-T421 WeakPolarHBondContact O-CG2 3.39Å; T417-T421 PolarHBondContact O-N 3.36Å; L418-T421 WeakPolarHBondContact CA-OG1 3.26Å; L418-T421 PolarHBondContact O-N 2.96Å; L418-T421 VanDerWaalsContact O-N 3.11Å; L418-T421 PolarHBondContact O-OG1 3.34Å; M419-T421 PolarHBondContact O-N 3.27Å; T421-F424 PolarHBondContact O-N 2.82Å; T421-A425 VanDerWaalsContact O-CB 3.23Å; T421-A425 WeakPolarHBondContact O-CB 3.24Å; T421-A425 PolarHBondContact O-N 2.73Å; T421-F437 HydrophobicContact CG2-CE2 4.39Å; T421-Q441 PolarHBondContact OG1-NE2 3.06Å; T421-L485 HydrophobicContact CG2-CD1 3.92Å; T421-L485 HydrophobicContact CG2-CD2 3.71Å
422	Y	97.5	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-73.7	-34.6	177.1	-75.4	-70	0	0	0	113.3	N336 Y363 R366 H370 L418 M419 Y420 A425 Y426 E445	N336-Y422 HydrophobicContact CB-CE1 4.25Å; N336-Y422 WeakPolarHBondContact CB-OH 3.33Å; Y363-Y422 AromaticContact CD1-CD1 3.88Å; Y363-Y422 HydrophobicContact CD1-CD1 3.88Å; Y363-Y422 WeakPolarHBondContact CD1-O 3.16Å; Y363-Y422 HydrophobicContact CE1-CD1 4.28Å; R366-Y422 HydrophobicContact CB-CD1 3.86Å; R366-Y422 HydrophobicContact CB-CD2 3.85Å; R366-Y422 HydrophobicContact CB-CE1 3.94Å; R366-Y422 HydrophobicContact CB-CE2 3.93Å; R366-Y422 HydrophobicContact CB-CG 3.8Å; R366-Y422 HydrophobicContact CG-CD1 4.49Å; R366-Y422 HydrophobicContact CG-CE1 4.17Å; H370-Y422 AromaticContact CD2-CD2 3.75Å; H370-Y422 AromaticContact CD2-CE2 3.58Å; H370-Y422 AromaticContact NE2-CE2 3.45Å; H370-Y422 WeakPolarHBondContact NE2-CE2 3.47Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.49Å; L418-Y422 PolarHBondContact O-N 2.86Å; M419-Y422 PolarHBondContact O-N 3.5Å; Y420-Y422 PolarHBondContact O-N 3.43Å; Y422-A425 PolarHBondContact O-N 2.73Å; Y422-Y426 PolarHBondContact O-N 2.9Å; Y422-E445 PolarHBondContact OH-OE2 2.62Å
423	A	96.6	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-43.6	171	0	0	0	0	0	110.9	V261 W269 Y367 Y420 F427	V261-A423 HydrophobicContact CG1-CB 4.43Å; V261-A423 HydrophobicContact CG2-CB 4.42Å; W269-A423 HydrophobicContact CD2-CB 4.19Å; W269-A423 HydrophobicContact CG-CB 3.96Å; Y367-A423 HydrophobicContact CD2-CB 4.14Å; Y367-A423 HydrophobicContact CE2-CB 4.28Å; Y420-A423 PolarHBondContact O-N 2.87Å; A423-F427 WeakPolarHBondContact O-CD2 3.5Å
424	F	97.3	Very high	95.7	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-49.6	173.3	170.3	-100.9	0	0	0	112	P260 V261 Y420 T421 Y426 F427 L428 F437 V489 Y493 W498	P260-F424 HydrophobicContact CG-CB 4.15Å; P260-F424 HydrophobicContact CG-CD1 4.48Å; P260-F424 HydrophobicContact CG-CG 4.28Å; V261-F424 HydrophobicContact CB-CB 4.04Å; V261-F424 HydrophobicContact CG2-CB 4.43Å; Y420-F424 PolarHBondContact O-N 3.33Å; T421-F424 PolarHBondContact O-N 2.82Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 PolarHBondContact O-N 3.01Å; F424-F427 PolarHBondContact O-N 3.34Å; F424-L428 HydrophobicContact CE1-CD1 4.22Å; F424-L428 HydrophobicContact CE1-CD2 3.92Å; F424-L428 HydrophobicContact CE2-CD1 4.43Å; F424-L428 HydrophobicContact CZ-CD1 3.84Å; F424-L428 HydrophobicContact CZ-CD2 4.35Å; F424-L428 PolarHBondContact O-N 2.89Å; F424-F437 HydrophobicContact CD1-CD2 4.3Å; F424-F437 HydrophobicContact CD1-CE1 4.08Å; F424-F437 AromaticContact CD1-CE2 3.68Å; F424-F437 HydrophobicContact CD1-CE2 3.68Å; F424-F437 AromaticContact CD1-CZ 3.56Å; F424-F437 HydrophobicContact CD1-CZ 3.56Å; F424-F437 HydrophobicContact CE1-CD1 4.34Å; F424-F437 AromaticContact CE1-CD2 3.96Å; F424-F437 HydrophobicContact CE1-CD2 3.96Å; F424-F437 HydrophobicContact CE1-CE1 4.25Å; F424-F437 AromaticContact CE1-CE2 3.82Å; F424-F437 HydrophobicContact CE1-CE2 3.82Å; F424-F437 HydrophobicContact CE1-CG 4.21Å; F424-F437 AromaticContact CE1-CZ 3.98Å; F424-F437 HydrophobicContact CE1-CZ 3.98Å; F424-V489 HydrophobicContact CE1-CG1 4.25Å; F424-V489 HydrophobicContact CE1-CG2 4.15Å; F424-V489 HydrophobicContact CE2-CG1 3.91Å; F424-V489 HydrophobicContact CZ-CG1 3.74Å; F424-V489 HydrophobicContact CZ-CG2 4.37Å; F424-Y493 WeakPolarHBondContact CD2-OH 3.25Å; F424-Y493 HydrophobicContact CE2-CE1 4.24Å; F424-Y493 AromaticContact CE2-CZ 3.96Å; F424-Y493 WeakPolarHBondContact CE2-OH 3.3Å; F424-W498 HydrophobicContact CE2-CG 4.38Å; F424-W498 AromaticContact CZ-CD2 3.85Å; F424-W498 HydrophobicContact CZ-CD2 3.85Å; F424-W498 AromaticContact CZ-CE2 3.99Å; F424-W498 HydrophobicContact CZ-CE3 4.26Å; F424-W498 HydrophobicContact CZ-CG 4.06Å
425	A	96.6	Very high	95.5	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-33	-177.4	0	0	0	0	0	113.4	R359 Y363 T421 Y422 F427 L428 F437	R359-A425 PolarHBondContact NH2-O 3.44Å; Y363-A425 HydrophobicContact CD1-CB 4.07Å; Y363-A425 HydrophobicContact CE1-CB 3.47Å; Y363-A425 VanDerWaalsContact CE1-CB 3.47Å; T421-A425 VanDerWaalsContact O-CB 3.23Å; T421-A425 WeakPolarHBondContact O-CB 3.24Å; T421-A425 PolarHBondContact O-N 2.73Å; Y422-A425 PolarHBondContact O-N 2.73Å; A425-F427 VanDerWaalsContact C-N 3.31Å; A425-F427 PolarHBondContact O-N 3.19Å; A425-L428 WeakPolarHBondContact O-CB 3.4Å; A425-L428 PolarHBondContact O-N 3.23Å; A425-L428 VanDerWaalsContact O-N 3.12Å; A425-F437 HydrophobicContact CB-CE1 3.8Å; A425-F437 HydrophobicContact CB-CZ 4.27Å
426	Y	94.5	Very high	95.5	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-55.9	-47.5	175.4	171.3	-100	0	0	0	111.6	W269 K272 R359 Y360 Y363 Y422 F424 L428 C504	W269-Y426 AromaticContact CE3-CD1 3.75Å; W269-Y426 HydrophobicContact CE3-CD1 3.75Å; W269-Y426 HydrophobicContact CE3-CE1 4.24Å; W269-Y426 HydrophobicContact CE3-CG 4.01Å; W269-Y426 HydrophobicContact CH2-CD2 4.38Å; W269-Y426 HydrophobicContact CH2-CG 4.22Å; W269-Y426 AromaticContact CZ3-CD1 3.56Å; W269-Y426 HydrophobicContact CZ3-CD1 3.56Å; W269-Y426 AromaticContact CZ3-CD2 3.74Å; W269-Y426 HydrophobicContact CZ3-CD2 3.74Å; W269-Y426 HydrophobicContact CZ3-CE1 4.06Å; W269-Y426 HydrophobicContact CZ3-CE2 4.21Å; W269-Y426 AromaticContact CZ3-CG 3.39Å; W269-Y426 HydrophobicContact CZ3-CG 3.39Å; K272-Y426 HydrophobicContact CD-CE1 4.34Å; K272-Y426 PolarHBondContact NZ-OH 2.75Å; R359-Y426 PolarHBondContact NH2-O 2.86Å; Y360-Y426 HydrophobicContact CD2-CE2 4.15Å; Y363-Y426 AromaticContact CD2-CD2 3.84Å; Y363-Y426 HydrophobicContact CD2-CD2 3.84Å; Y363-Y426 HydrophobicContact CD2-CG 4.45Å; Y363-Y426 HydrophobicContact CG-CD2 4.26Å; Y422-Y426 PolarHBondContact O-N 2.9Å; F424-Y426 VanDerWaalsContact C-N 3.29Å; F424-Y426 PolarHBondContact O-N 3.01Å; Y426-L428 VanDerWaalsContact C-N 3.26Å; Y426-L428 PolarHBondContact O-N 3.49Å; Y426-C504 HydrophobicContact CE1-CB 4Å; Y426-C504 WeakPolarHBondContact CE1-SG 3.48Å; Y426-C504 PolarHBondContact O-SG 3.08Å; Y426-C504 VanDerWaalsContact O-SG 3.38Å; Y426-C504 PolarHBondContact OH-OXT 3.47Å
427	F	94.4	Very high	95.6	Very high	8 Å²	8	29 Å²	29	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-76	-10.7	179.4	-64.7	-71.1	0	0	0	113.9	Q265 T268 W269 A423 F424 A425 Q500 S501 C504	Q265-F427 HydrophobicContact CB-CD2 3.75Å; Q265-F427 HydrophobicContact CB-CE2 3.8Å; Q265-F427 HydrophobicContact CB-CG 4.44Å; Q265-F427 HydrophobicContact CG-CD2 4Å; Q265-F427 HydrophobicContact CG-CE2 4.41Å; Q265-F427 HydrophobicContact CG-CG 4.21Å; Q265-F427 VanDerWaalsContact O-CE2 3.3Å; Q265-F427 WeakPolarHBondContact O-CE2 3.26Å; Q265-F427 WeakPolarHBondContact O-CZ 3.23Å; T268-F427 HydrophobicContact CG2-CE1 4.11Å; T268-F427 HydrophobicContact CG2-CZ 4.03Å; W269-F427 HydrophobicContact CB-CE2 4.06Å; W269-F427 HydrophobicContact CB-CZ 4.29Å; W269-F427 HydrophobicContact CE3-CE2 4.46Å; A423-F427 WeakPolarHBondContact O-CD2 3.5Å; F424-F427 PolarHBondContact O-N 3.34Å; A425-F427 VanDerWaalsContact C-N 3.31Å; A425-F427 PolarHBondContact O-N 3.19Å; F427-Q500 CarbonylContact O-C 3.43Å; F427-Q500 VanDerWaalsContact O-CA 3.28Å; F427-Q500 WeakPolarHBondContact O-CA 3.39Å; F427-S501 PolarHBondContact O-N 3.18Å; F427-C504 HydrophobicContact CD1-CB 3.76Å; F427-C504 HydrophobicContact CE1-CB 4.09Å
428	L	93.7	Very high	95.5	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-78.3	126.5	-173.1	-160.6	63	0	0	0	111.3	R359 F424 A425 Y426 S434 F437 W498	R359-L428 PolarHBondContact NH2-O 2.95Å; F424-L428 HydrophobicContact CE1-CD1 4.22Å; F424-L428 HydrophobicContact CE1-CD2 3.92Å; F424-L428 HydrophobicContact CE2-CD1 4.43Å; F424-L428 HydrophobicContact CZ-CD1 3.84Å; F424-L428 HydrophobicContact CZ-CD2 4.35Å; F424-L428 PolarHBondContact O-N 2.89Å; A425-L428 WeakPolarHBondContact O-CB 3.4Å; A425-L428 PolarHBondContact O-N 3.23Å; A425-L428 VanDerWaalsContact O-N 3.12Å; Y426-L428 VanDerWaalsContact C-N 3.26Å; Y426-L428 PolarHBondContact O-N 3.49Å; L428-S434 VanDerWaalsContact CD2-CB 3.45Å; L428-F437 HydrophobicContact CD2-CD1 4.19Å; L428-W498 HydrophobicContact CD1-CB 4.07Å; L428-W498 HydrophobicContact CD1-CD2 4.05Å; L428-W498 HydrophobicContact CD1-CE3 3.46Å; L428-W498 VanDerWaalsContact CD1-CE3 3.46Å; L428-W498 HydrophobicContact CD1-CG 4.33Å; L428-W498 HydrophobicContact CD1-CZ3 4.18Å; L428-W498 HydrophobicContact CD2-CE3 4.22Å; L428-W498 HydrophobicContact CD2-CZ3 4.1Å; L428-W498 HydrophobicContact CG-CE3 4.36Å
429	K	91.3	Very high	95.4	Very high	81 Å²	81	31.7 Å²	31.7	35%	0.352	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-77.7	136.2	165.2	-175.1	173.4	167.9	-164.3	0	109.8	N431 E499	K429-N431 PolarHBondContact O-N 3.25Å; K429-E499 HydrophobicContact CB-CB 3.98Å; K429-E499 WeakPolarHBondContact CB-O 3.37Å; K429-E499 HydrophobicContact CD-CB 4.07Å; K429-E499 WeakPolarHBondContact CD-OE2 3.15Å; K429-E499 WeakPolarHBondContact CE-OE2 3.47Å; K429-E499 PolarHBondContact N-O 3.23Å; K429-E499 IonicContact NZ-OE2 3.32Å; K429-E499 PolarHBondContact NZ-OE2 3.39Å
430	K	90.6	Very high	95.4	Very high	95 Å²	95	32.2 Å²	32.2	41%	0.413	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-66.4	126.3	-174.9	-153.4	164.8	-161.5	154.5	0	111.1	Y338 D340 S434	Y338-K430 PolarHBondContact O-NZ 3.01Å; D340-K430 IonicContact OD2-NZ 2.65Å; K430-S434 WeakPolarHBondContact CA-OG 3.37Å
431	N	92.1	Very high	95.3	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.23	16%	0.162	C	C	.	.			trans	-151.7	-174.4	176.3	66.9	31.4	0	0	0	110.4	K429 H433 S434 L435 F497	K429-N431 PolarHBondContact O-N 3.25Å; N431-H433 VanDerWaalsContact C-N 3.31Å; N431-H433 PolarHBondContact O-N 3.06Å; N431-H433 WeakPolarHBondContact OD1-CA 3.46Å; N431-H433 WeakPolarHBondContact OD1-CB 3.43Å; N431-H433 PolarHBondContact OD1-N 3.39Å; N431-S434 PolarHBondContact N-OG 3.09Å; N431-S434 PolarHBondContact O-N 2.86Å; N431-S434 PolarHBondContact O-OG 2.92Å; N431-S434 PolarHBondContact OD1-N 3.24Å; N431-L435 PolarHBondContact O-N 3.35Å; N431-F497 PolarHBondContact ND2-O 3.07Å
432	N	94.6	Very high	95.2	Very high	129 Å²	129	32.9 Å²	32.9	69%	0.69	17%	0.169	S	C	*	.	H	α-helix	trans	-62.5	-39.4	-178.6	-65.8	-17.9	0	0	0	112.3	L435 I436	N432-L435 PolarHBondContact O-N 3.29Å; N432-I436 PolarHBondContact O-N 3.01Å
433	H	96.3	Very high	95.1	Very high	53 Å²	53	35 Å²	35	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-31.9	178.1	-67.6	-78.6	0	0	0	112	N431 L435 I436 F437 H488 F497 W498	N431-H433 VanDerWaalsContact C-N 3.31Å; N431-H433 PolarHBondContact O-N 3.06Å; N431-H433 WeakPolarHBondContact OD1-CA 3.46Å; N431-H433 WeakPolarHBondContact OD1-CB 3.43Å; N431-H433 PolarHBondContact OD1-N 3.39Å; H433-L435 VanDerWaalsContact C-N 3.25Å; H433-L435 PolarHBondContact O-N 2.83Å; H433-I436 PolarHBondContact O-N 3.28Å; H433-F437 WeakPolarHBondContact O-CB 3.36Å; H433-F437 PolarHBondContact O-N 2.86Å; H433-H488 AromaticContact ND1-NE2 3.46Å; H433-H488 PolarHBondContact ND1-NE2 3.47Å; H433-H488 PolarHBondContact O-CE1 3.12Å; H433-F497 HydrophobicContact CB-CB 4.29Å; H433-F497 HydrophobicContact CB-CD2 4.44Å; H433-F497 AromaticContact CD2-CD1 3.95Å; H433-F497 AromaticContact CD2-CD2 3.67Å; H433-F497 AromaticContact CD2-CG 3.54Å; H433-F497 AromaticContact CE1-CD2 3.41Å; H433-F497 VanDerWaalsContact CE1-CD2 3.41Å; H433-F497 WeakPolarHBondContact CE1-CD2 3.23Å; H433-F497 AromaticContact CE1-CE2 3.24Å; H433-F497 WeakPolarHBondContact CE1-CE2 3.49Å; H433-F497 AromaticContact CE1-CZ 3.62Å; H433-F497 AromaticContact CG-CD2 3.61Å; H433-F497 AromaticContact CG-CG 3.88Å; H433-F497 AromaticContact ND1-CD2 3.45Å; H433-F497 WeakPolarHBondContact ND1-CD2 3.45Å; H433-F497 AromaticContact ND1-CE2 3.67Å; H433-F497 AromaticContact NE2-CD1 3.76Å; H433-F497 AromaticContact NE2-CD2 3.58Å; H433-F497 AromaticContact NE2-CE1 3.75Å; H433-F497 AromaticContact NE2-CE2 3.62Å; H433-F497 AromaticContact NE2-CG 3.67Å; H433-F497 AromaticContact NE2-CZ 3.67Å; H433-W498 HydrophobicContact CB-CE3 4.33Å; H433-W498 HydrophobicContact CB-CH2 3.54Å; H433-W498 HydrophobicContact CB-CZ2 4.47Å; H433-W498 HydrophobicContact CB-CZ3 3.45Å; H433-W498 VanDerWaalsContact CB-CZ3 3.45Å
434	S	94.6	Very high	95.2	Very high	2 Å²	2	35 Å²	35	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-36.4	175.8	78.5	0	0	0	0	111.2	L428 K430 N431 F437 E438	L428-S434 VanDerWaalsContact CD2-CB 3.45Å; K430-S434 WeakPolarHBondContact CA-OG 3.37Å; N431-S434 PolarHBondContact N-OG 3.09Å; N431-S434 PolarHBondContact O-N 2.86Å; N431-S434 PolarHBondContact O-OG 2.92Å; N431-S434 PolarHBondContact OD1-N 3.24Å; S434-F437 PolarHBondContact O-N 2.65Å; S434-E438 WeakPolarHBondContact O-CB 3.42Å; S434-E438 VanDerWaalsContact O-CG 3.25Å; S434-E438 WeakPolarHBondContact O-CG 3.24Å; S434-E438 PolarHBondContact O-N 3.01Å
435	L	93.8	Very high	95.2	Very high	76 Å²	76	35.7 Å²	35.7	40%	0.398	18%	0.184	S	C	.	.	H	α-helix	trans	-66.2	-40.5	176.8	-61.8	174.4	0	0	0	112.2	N431 N432 H433 E438 S439	N431-L435 PolarHBondContact O-N 3.35Å; N432-L435 PolarHBondContact O-N 3.29Å; H433-L435 VanDerWaalsContact C-N 3.25Å; H433-L435 PolarHBondContact O-N 2.83Å; L435-E438 PolarHBondContact O-N 2.85Å; L435-S439 PolarHBondContact O-N 2.96Å
436	I	96.1	Very high	95.1	Very high	80 Å²	80	38.2 Å²	38.2	41%	0.41	20%	0.195	S	C	.	.	H	α-helix	trans	-65.7	-46.1	175.7	-61.5	171	0	0	0	109.7	N432 H433 E438 S439 N440	N432-I436 PolarHBondContact O-N 3.01Å; H433-I436 PolarHBondContact O-N 3.28Å; I436-E438 PolarHBondContact O-N 3.47Å; I436-S439 WeakPolarHBondContact O-CB 3.35Å; I436-S439 PolarHBondContact O-N 3.17Å; I436-S439 VanDerWaalsContact O-N 3.15Å; I436-N440 PolarHBondContact O-N 3.29Å
437	F	97.4	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-56.9	-47.6	174.9	162	-94.1	0	0	0	111.8	T421 F424 A425 L428 H433 S434 S439 N440 Q441 L485 V489 W498	T421-F437 HydrophobicContact CG2-CE2 4.39Å; F424-F437 HydrophobicContact CD1-CD2 4.3Å; F424-F437 HydrophobicContact CD1-CE1 4.08Å; F424-F437 AromaticContact CD1-CE2 3.68Å; F424-F437 HydrophobicContact CD1-CE2 3.68Å; F424-F437 AromaticContact CD1-CZ 3.56Å; F424-F437 HydrophobicContact CD1-CZ 3.56Å; F424-F437 HydrophobicContact CE1-CD1 4.34Å; F424-F437 AromaticContact CE1-CD2 3.96Å; F424-F437 HydrophobicContact CE1-CD2 3.96Å; F424-F437 HydrophobicContact CE1-CE1 4.25Å; F424-F437 AromaticContact CE1-CE2 3.82Å; F424-F437 HydrophobicContact CE1-CE2 3.82Å; F424-F437 HydrophobicContact CE1-CG 4.21Å; F424-F437 AromaticContact CE1-CZ 3.98Å; F424-F437 HydrophobicContact CE1-CZ 3.98Å; A425-F437 HydrophobicContact CB-CE1 3.8Å; A425-F437 HydrophobicContact CB-CZ 4.27Å; L428-F437 HydrophobicContact CD2-CD1 4.19Å; H433-F437 WeakPolarHBondContact O-CB 3.36Å; H433-F437 PolarHBondContact O-N 2.86Å; S434-F437 PolarHBondContact O-N 2.65Å; F437-S439 VanDerWaalsContact C-N 3.27Å; F437-S439 PolarHBondContact O-N 3.38Å; F437-N440 PolarHBondContact O-N 3.25Å; F437-N440 VanDerWaalsContact O-N 3.13Å; F437-Q441 WeakPolarHBondContact O-CB 3.46Å; F437-Q441 PolarHBondContact O-N 3.24Å; F437-L485 HydrophobicContact CD2-CD2 4.47Å; F437-L485 HydrophobicContact CD2-CG 4.42Å; F437-L485 HydrophobicContact CE2-CD1 4.47Å; F437-L485 HydrophobicContact CE2-CD2 4.08Å; F437-L485 HydrophobicContact CE2-CG 4.34Å; F437-V489 HydrophobicContact CD2-CG2 3.57Å; F437-V489 HydrophobicContact CE2-CG2 3.96Å; F437-W498 HydrophobicContact CB-CH2 4.18Å
438	E	96.1	Very high	95.2	Very high	13 Å²	13	38 Å²	38	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-33.6	178.1	-74.8	172.9	162.1	0	0	112	N336 R337 S434 L435 I436 S442	N336-E438 PolarHBondContact ND2-O 2.7Å; R337-E438 WeakPolarHBondContact CD-OE2 3.48Å; R337-E438 HydrophobicContact CG-CB 3.99Å; R337-E438 HydrophobicContact CG-CG 4.14Å; R337-E438 IonicContact NE-OE2 3.23Å; R337-E438 PolarHBondContact NE-OE2 3.33Å; S434-E438 WeakPolarHBondContact O-CB 3.42Å; S434-E438 VanDerWaalsContact O-CG 3.25Å; S434-E438 WeakPolarHBondContact O-CG 3.24Å; S434-E438 PolarHBondContact O-N 3.01Å; L435-E438 PolarHBondContact O-N 2.85Å; I436-E438 PolarHBondContact O-N 3.47Å; E438-S442 PolarHBondContact O-N 3.1Å; E438-S442 VanDerWaalsContact O-N 3.07Å
439	S	95.9	Very high	95.3	Very high	49 Å²	49	37.5 Å²	37.5	34%	0.343	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-47.4	172	-161.5	0	0	0	0	111.1	L435 I436 F437 Q441 S442 D443	L435-S439 PolarHBondContact O-N 2.96Å; I436-S439 WeakPolarHBondContact O-CB 3.35Å; I436-S439 PolarHBondContact O-N 3.17Å; I436-S439 VanDerWaalsContact O-N 3.15Å; F437-S439 VanDerWaalsContact C-N 3.27Å; F437-S439 PolarHBondContact O-N 3.38Å; S439-Q441 VanDerWaalsContact C-N 3.27Å; S439-Q441 PolarHBondContact O-N 2.96Å; S439-S442 WeakPolarHBondContact O-CB 3.22Å; S439-S442 PolarHBondContact O-N 2.89Å; S439-S442 VanDerWaalsContact O-N 3.17Å; S439-D443 PolarHBondContact O-N 3.43Å
440	N	97	Very high	95.3	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-38.3	178.6	-70	-14.1	0	0	0	112	I436 F437 D443 L444 R481 L485	I436-N440 PolarHBondContact O-N 3.29Å; F437-N440 PolarHBondContact O-N 3.25Å; F437-N440 VanDerWaalsContact O-N 3.13Å; N440-D443 PolarHBondContact O-N 2.82Å; N440-L444 PolarHBondContact O-N 3.27Å; N440-R481 PolarHBondContact OD1-NH2 3.4Å; N440-L485 HydrophobicContact CB-CB 4.13Å; N440-L485 HydrophobicContact CB-CD1 4.41Å; N440-L485 HydrophobicContact CB-CG 4.26Å
441	Q	97.6	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-46.6	174.4	-173	-170.4	42.8	0	0	111.3	N336 L418 T421 F437 S439 D443 L444 E445 L485	N336-Q441 PolarHBondContact ND2-OE1 3.45Å; L418-Q441 HydrophobicContact CD2-CG 4.27Å; T421-Q441 PolarHBondContact OG1-NE2 3.06Å; F437-Q441 WeakPolarHBondContact O-CB 3.46Å; F437-Q441 PolarHBondContact O-N 3.24Å; S439-Q441 VanDerWaalsContact C-N 3.27Å; S439-Q441 PolarHBondContact O-N 2.96Å; Q441-D443 VanDerWaalsContact C-N 3.34Å; Q441-D443 PolarHBondContact O-N 3.28Å; Q441-L444 PolarHBondContact O-N 3.38Å; Q441-E445 WeakPolarHBondContact O-CB 3.5Å; Q441-E445 PolarHBondContact O-N 2.89Å; Q441-L485 VanDerWaalsContact CA-CD1 3.47Å; Q441-L485 HydrophobicContact CB-CD1 3.98Å
442	S	95.7	Very high	95.4	Very high	22 Å²	22	30 Å²	30	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-43.8	177.3	-174.9	0	0	0	0	112	E438 S439 E445 Q446	E438-S442 PolarHBondContact O-N 3.1Å; E438-S442 VanDerWaalsContact O-N 3.07Å; S439-S442 WeakPolarHBondContact O-CB 3.22Å; S439-S442 PolarHBondContact O-N 2.89Å; S439-S442 VanDerWaalsContact O-N 3.17Å; S442-E445 PolarHBondContact O-N 3.26Å; S442-Q446 PolarHBondContact O-N 2.82Å
443	D	96.1	Very high	95.1	Very high	46 Å²	46	25.7 Å²	25.7	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-41	178.4	-63.8	-24.6	0	0	0	111.9	S439 N440 Q441 S447 R481	S439-D443 PolarHBondContact O-N 3.43Å; N440-D443 PolarHBondContact O-N 2.82Å; Q441-D443 VanDerWaalsContact C-N 3.34Å; Q441-D443 PolarHBondContact O-N 3.28Å; D443-S447 WeakPolarHBondContact O-CB 3.19Å; D443-S447 PolarHBondContact O-N 3.33Å; D443-S447 VanDerWaalsContact O-N 3.1Å; D443-S447 PolarHBondContact O-OG 2.9Å; D443-R481 VanDerWaalsContact CB-CZ 3.47Å; D443-R481 VanDerWaalsContact CB-NH2 3.3Å; D443-R481 IonicContact OD2-CZ 3.77Å; D443-R481 IonicContact OD2-NE 3.49Å; D443-R481 IonicContact OD2-NH1 2.87Å; D443-R481 IonicContact OD2-NH2 3.85Å; D443-R481 PolarHBondContact OD2-NH2 3.36Å
444	L	97.4	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-43.4	174.5	176.7	59.2	0	0	0	111.4	C414 T417 L418 N440 Q441 S447 T448 R481 R482 L485	C414-L444 HydrophobicContact CB-CD1 4.1Å; T417-L444 HydrophobicContact CG2-CD2 4.48Å; L418-L444 HydrophobicContact CD1-CG 4.23Å; L418-L444 HydrophobicContact CD2-CB 4.23Å; L418-L444 HydrophobicContact CD2-CD2 3.9Å; L418-L444 HydrophobicContact CD2-CG 3.88Å; L418-L444 HydrophobicContact CG-CD2 3.85Å; L418-L444 HydrophobicContact CG-CG 3.89Å; N440-L444 PolarHBondContact O-N 3.27Å; Q441-L444 PolarHBondContact O-N 3.38Å; L444-S447 WeakPolarHBondContact CA-OG 3.24Å; L444-S447 PolarHBondContact O-N 3.05Å; L444-S447 PolarHBondContact O-OG 2.98Å; L444-T448 VanDerWaalsContact O-CB 3.3Å; L444-T448 WeakPolarHBondContact O-CB 3.42Å; L444-T448 PolarHBondContact O-N 3.09Å; L444-T448 PolarHBondContact O-OG1 3.01Å; L444-R481 HydrophobicContact CB-CB 4.32Å; L444-R481 HydrophobicContact CD1-CB 4.21Å; L444-R482 HydrophobicContact CD1-CB 3.82Å; L444-R482 HydrophobicContact CD2-CB 4.26Å; L444-R482 HydrophobicContact CD2-CG 4.41Å; L444-L485 HydrophobicContact CB-CD1 4.39Å; L444-L485 HydrophobicContact CD2-CD1 3.99Å
445	E	96.6	Very high	94	Very high	14 Å²	14	26 Å²	26	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-50.5	-179.9	-166.6	171.5	134	0	0	110.5	M320 H370 L418 Y422 Q441 S442 S447 T448 E449	M320-E445 WeakPolarHBondContact CE-OE1 3.26Å; H370-E445 IonicContact NE2-OE2 2.92Å; L418-E445 HydrophobicContact CD1-CB 4.36Å; L418-E445 HydrophobicContact CD1-CG 4.45Å; L418-E445 HydrophobicContact CD2-CB 3.89Å; L418-E445 HydrophobicContact CD2-CG 4.41Å; Y422-E445 PolarHBondContact OH-OE2 2.62Å; Q441-E445 WeakPolarHBondContact O-CB 3.5Å; Q441-E445 PolarHBondContact O-N 2.89Å; S442-E445 PolarHBondContact O-N 3.26Å; E445-S447 PolarHBondContact O-N 3.47Å; E445-T448 WeakPolarHBondContact O-CB 3.41Å; E445-T448 PolarHBondContact O-N 3.39Å; E445-E449 WeakPolarHBondContact O-CG 3.38Å; E445-E449 PolarHBondContact O-N 2.96Å
446	Q	94.7	Very high	93.3	Very high	56 Å²	56	25.5 Å²	25.5	26%	0.262	13%	0.131	S	C	.	.	H	α-helix	trans	-61.9	-45.8	179.3	-167.5	-174.2	19.5	0	0	112.3	H328 S442 T448 E449 Q450	H328-Q446 PolarHBondContact O-NE2 2.84Å; S442-Q446 PolarHBondContact O-N 2.82Å; Q446-T448 VanDerWaalsContact C-N 3.27Å; Q446-T448 PolarHBondContact O-N 3.01Å; Q446-E449 PolarHBondContact O-N 2.9Å; Q446-Q450 WeakPolarHBondContact O-CG 3.28Å; Q446-Q450 PolarHBondContact O-N 2.69Å
447	S	95.5	Very high	92.2	Very high	4 Å²	4	27 Å²	27	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-34.2	178	54.6	0	0	0	0	112.6	D443 L444 E445 L451	D443-S447 WeakPolarHBondContact O-CB 3.19Å; D443-S447 PolarHBondContact O-N 3.33Å; D443-S447 VanDerWaalsContact O-N 3.1Å; D443-S447 PolarHBondContact O-OG 2.9Å; L444-S447 WeakPolarHBondContact CA-OG 3.24Å; L444-S447 PolarHBondContact O-N 3.05Å; L444-S447 PolarHBondContact O-OG 2.98Å; E445-S447 PolarHBondContact O-N 3.47Å; S447-L451 WeakPolarHBondContact O-CB 3.34Å; S447-L451 PolarHBondContact O-N 3.44Å
448	T	96.5	Very high	90.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.6	-45	174.3	-55.3	0	0	0	0	111.4	L411 C414 L418 L444 E445 Q446 L451 S452 C478	L411-T448 HydrophobicContact CD1-CG2 3.62Å; C414-T448 HydrophobicContact CB-CG2 4.25Å; L418-T448 HydrophobicContact CD1-CG2 3.93Å; L418-T448 WeakPolarHBondContact CD1-OG1 3.49Å; L444-T448 VanDerWaalsContact O-CB 3.3Å; L444-T448 WeakPolarHBondContact O-CB 3.42Å; L444-T448 PolarHBondContact O-N 3.09Å; L444-T448 PolarHBondContact O-OG1 3.01Å; E445-T448 WeakPolarHBondContact O-CB 3.41Å; E445-T448 PolarHBondContact O-N 3.39Å; Q446-T448 VanDerWaalsContact C-N 3.27Å; Q446-T448 PolarHBondContact O-N 3.01Å; T448-L451 PolarHBondContact O-N 3.34Å; T448-S452 WeakPolarHBondContact O-CB 3.27Å; T448-S452 PolarHBondContact O-N 2.85Å; T448-C478 PolarHBondContact OG1-SG 3.2Å; T448-C478 VanDerWaalsContact OG1-SG 3.35Å
449	E	94.7	Very high	89.1	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-40.4	178.1	-62.1	-55.3	164.2	0	0	112.2	C303 N304 W325 H370 R415 E445 Q446 L451 S452 E453	C303-E449 WeakPolarHBondContact CA-OE2 3.46Å; N304-E449 HydrophobicContact CB-CG 4.48Å; N304-E449 PolarHBondContact N-OE2 2.92Å; N304-E449 PolarHBondContact ND2-OE1 2.9Å; W325-E449 HydrophobicContact CH2-CB 3.91Å; W325-E449 HydrophobicContact CH2-CG 4.02Å; W325-E449 HydrophobicContact CZ2-CB 4.17Å; H370-E449 IonicContact CE1-OE1 3.56Å; R415-E449 IonicContact CZ-OE1 2.62Å; R415-E449 IonicContact CZ-OE2 2.89Å; R415-E449 IonicContact NH1-OE1 3.33Å; R415-E449 PolarHBondContact NH1-OE1 3.48Å; R415-E449 IonicContact NH1-OE2 3.45Å; R415-E449 PolarHBondContact NH1-OE2 2.89Å; R415-E449 IonicContact NH2-OE1 2.87Å; R415-E449 IonicContact NH2-OE2 3.36Å; R415-E449 PolarHBondContact NH2-OE2 3.2Å; E445-E449 WeakPolarHBondContact O-CG 3.38Å; E445-E449 PolarHBondContact O-N 2.96Å; Q446-E449 PolarHBondContact O-N 2.9Å; E449-L451 VanDerWaalsContact C-N 3.35Å; E449-L451 PolarHBondContact O-N 3.32Å; E449-S452 PolarHBondContact O-N 3.46Å; E449-E453 WeakPolarHBondContact O-CB 3.45Å; E449-E453 PolarHBondContact O-N 3.45Å
450	Q	92.1	Very high	87.4	Confident	61 Å²	61	32.8 Å²	32.8	29%	0.285	17%	0.165	S	C	.	.	H	α-helix	trans	-61.5	-42.4	173.7	-71.2	-179.7	12.2	0	0	112	Q446 Y454	Q446-Q450 WeakPolarHBondContact O-CG 3.28Å; Q446-Q450 PolarHBondContact O-N 2.69Å; Q450-Y454 VanDerWaalsContact O-CD2 3.24Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.43Å; Q450-Y454 PolarHBondContact O-N 3.45Å; Q450-Y454 VanDerWaalsContact O-N 3.13Å
451	L	92.3	Very high	85.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-43.4	177.1	179.7	61.5	0	0	0	111.4	I410 L411 S447 T448 E449 Y454 L455 K474 A475 C478	I410-L451 HydrophobicContact CG2-CD2 4.34Å; L411-L451 HydrophobicContact CB-CD2 3.98Å; L411-L451 HydrophobicContact CB-CG 4.46Å; L411-L451 HydrophobicContact CD1-CB 4.44Å; L411-L451 HydrophobicContact CD1-CD2 4.31Å; L411-L451 HydrophobicContact CD1-CG 4.36Å; S447-L451 WeakPolarHBondContact O-CB 3.34Å; S447-L451 PolarHBondContact O-N 3.44Å; T448-L451 PolarHBondContact O-N 3.34Å; E449-L451 VanDerWaalsContact C-N 3.35Å; E449-L451 PolarHBondContact O-N 3.32Å; L451-Y454 PolarHBondContact O-N 3.39Å; L451-L455 HydrophobicContact CD1-CD1 4.17Å; L451-L455 HydrophobicContact CG-CD1 4.14Å; L451-L455 WeakPolarHBondContact O-CG 3.47Å; L451-L455 PolarHBondContact O-N 2.99Å; L451-L455 VanDerWaalsContact O-N 3.14Å; L451-K474 HydrophobicContact CD1-CB 4.3Å; L451-A475 HydrophobicContact CD1-CB 4.13Å; L451-A475 HydrophobicContact CD2-CB 4.07Å; L451-C478 HydrophobicContact CD2-CB 4.36Å
452	S	92.6	Very high	83.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-47.3	176.1	-170.3	0	0	0	0	111.5	C303 E377 R415 T448 E449 Y454 L455 D456	C303-S452 PolarHBondContact N-OG 3.28Å; E377-S452 PolarHBondContact OE1-OG 3.44Å; R415-S452 VanDerWaalsContact NH2-CB 3.31Å; R415-S452 PolarHBondContact NH2-OG 3.19Å; T448-S452 WeakPolarHBondContact O-CB 3.27Å; T448-S452 PolarHBondContact O-N 2.85Å; E449-S452 PolarHBondContact O-N 3.46Å; S452-Y454 VanDerWaalsContact C-N 3.32Å; S452-Y454 PolarHBondContact O-N 3.13Å; S452-L455 PolarHBondContact O-N 3.36Å; S452-L455 VanDerWaalsContact O-N 3.15Å; S452-D456 WeakPolarHBondContact O-CB 3.43Å; S452-D456 PolarHBondContact O-N 3.4Å
453	E	88.6	Confident	82.5	Confident	38 Å²	38	46 Å²	46	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-44.6	179.8	-170.7	-174.1	160.3	0	0	111.3	H305 E449 L455 D456 R457	H305-E453 IonicContact CE1-OE1 3.21Å; H305-E453 IonicContact CE1-OE2 2.64Å; H305-E453 IonicContact CG-OE2 3.7Å; H305-E453 VanDerWaalsContact ND1-CD 3.27Å; H305-E453 IonicContact ND1-OE1 3.95Å; H305-E453 PolarHBondContact ND1-OE1 3.42Å; H305-E453 IonicContact ND1-OE2 3.99Å; H305-E453 PolarHBondContact ND1-OE2 2.94Å; E449-E453 WeakPolarHBondContact O-CB 3.45Å; E449-E453 PolarHBondContact O-N 3.45Å; E453-L455 VanDerWaalsContact C-N 3.29Å; E453-L455 PolarHBondContact O-N 3.07Å; E453-D456 PolarHBondContact O-N 2.89Å; E453-R457 VanDerWaalsContact O-CG 3.29Å; E453-R457 WeakPolarHBondContact O-CG 3.29Å; E453-R457 PolarHBondContact O-N 2.87Å; E453-R457 IonicContact OE1-CZ 2.64Å; E453-R457 IonicContact OE1-NE 3.57Å; E453-R457 PolarHBondContact OE1-NE 3.49Å; E453-R457 IonicContact OE1-NH2 3.45Å; E453-R457 PolarHBondContact OE1-NH2 2.66Å
454	Y	84.6	Confident	81.2	Confident	60 Å²	60	46.3 Å²	46.3	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-34.6	178.2	-93.4	-103.3	0	0	0	112.9	Q450 L451 S452 M471 K474	Q450-Y454 VanDerWaalsContact O-CD2 3.24Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.43Å; Q450-Y454 PolarHBondContact O-N 3.45Å; Q450-Y454 VanDerWaalsContact O-N 3.13Å; L451-Y454 PolarHBondContact O-N 3.39Å; S452-Y454 VanDerWaalsContact C-N 3.32Å; S452-Y454 PolarHBondContact O-N 3.13Å; Y454-M471 WeakPolarHBondContact O-CE 3.4Å; Y454-K474 HydrophobicContact CD2-CD 3.94Å; Y454-K474 HydrophobicContact CE2-CD 4.05Å; Y454-K474 HydrophobicContact CG-CD 4.22Å
455	L	82	Confident	79.9	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-78.8	-30.7	177.9	-73	168.7	0	0	0	112.9	F404 L407 L411 L451 S452 E453 M471	F404-L455 HydrophobicContact CD1-CD2 4.42Å; L407-L455 HydrophobicContact CB-CD1 4.29Å; L407-L455 HydrophobicContact CB-CD2 4.29Å; L407-L455 HydrophobicContact CD1-CD2 4.15Å; L411-L455 HydrophobicContact CB-CD1 4.43Å; L411-L455 HydrophobicContact CD2-CD1 3.82Å; L451-L455 HydrophobicContact CD1-CD1 4.17Å; L451-L455 HydrophobicContact CG-CD1 4.14Å; L451-L455 WeakPolarHBondContact O-CG 3.47Å; L451-L455 PolarHBondContact O-N 2.99Å; L451-L455 VanDerWaalsContact O-N 3.14Å; S452-L455 PolarHBondContact O-N 3.36Å; S452-L455 VanDerWaalsContact O-N 3.15Å; E453-L455 VanDerWaalsContact C-N 3.29Å; E453-L455 PolarHBondContact O-N 3.07Å; L455-M471 HydrophobicContact CD2-CE 4.02Å; L455-M471 HydrophobicContact CD2-SD 4.33Å
456	D	79.6	Confident	78.9	Confident	64 Å²	64	56.7 Å²	56.7	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-75.7	-23.7	176.6	-77.4	-24	0	0	0	112.5	L380 S452 E453	L380-D456 WeakPolarHBondContact CD2-OD1 3.34Å; S452-D456 WeakPolarHBondContact O-CB 3.43Å; S452-D456 PolarHBondContact O-N 3.4Å; E453-D456 PolarHBondContact O-N 2.89Å
457	R	73.4	Confident	78	Confident	113 Å²	113	54.4 Å²	54.4	43%	0.426	28%	0.276	S	S	.	.	S	Bend	trans	-62.3	150.9	176.1	-77.6	170.9	-173.7	-163.5	1.9	112.1	E453 L459	E453-R457 VanDerWaalsContact O-CG 3.29Å; E453-R457 WeakPolarHBondContact O-CG 3.29Å; E453-R457 PolarHBondContact O-N 2.87Å; E453-R457 IonicContact OE1-CZ 2.64Å; E453-R457 IonicContact OE1-NE 3.57Å; E453-R457 PolarHBondContact OE1-NE 3.49Å; E453-R457 IonicContact OE1-NH2 3.45Å; E453-R457 PolarHBondContact OE1-NH2 2.66Å; R457-L459 PolarHBondContact O-N 3.38Å
458	D	64.1	Low	77.2	Confident	102 Å²	102	56.5 Å²	56.5	55%	0.545	29%	0.285	S	S	.	.			trans	-69.9	116.4	172.8	-167.3	3.9	0	0	0	110.1	S460	D458-S460 VanDerWaalsContact C-N 3.33Å; D458-S460 WeakPolarHBondContact OD1-CB 3.47Å; D458-S460 PolarHBondContact OD1-N 3.06Å; D458-S460 VanDerWaalsContact OD1-N 3.16Å; D458-S460 PolarHBondContact OD1-OG 3.32Å; D458-S460 PolarHBondContact OD2-OG 2.88Å
459	L	64.4	Low	76.6	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	31%	0.305	C	S	.	.			trans	-90.3	-2.6	-175.7	-51.4	-179.7	0	0	0	111.9	M391 F404 R457 N461 L467 M471	M391-L459 HydrophobicContact CE-CB 4.43Å; F404-L459 HydrophobicContact CE1-CD1 3.62Å; F404-L459 HydrophobicContact CZ-CD1 4.06Å; R457-L459 PolarHBondContact O-N 3.38Å; L459-N461 PolarHBondContact O-N 3.15Å; L459-L467 HydrophobicContact CB-CD2 4.18Å; L459-L467 HydrophobicContact CD2-CD1 4.47Å; L459-L467 HydrophobicContact CD2-CD2 3.8Å; L459-L467 HydrophobicContact CG-CD2 4.37Å; L459-M471 HydrophobicContact CD1-CE 4.01Å; L459-M471 HydrophobicContact CD2-CE 3.55Å; L459-M471 HydrophobicContact CG-CE 4.44Å
460	S	59.9	Low	76.2	Confident	75 Å²	75	65.8 Å²	65.8	52%	0.524	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.3	-175.3	58.9	0	0	0	0	113.8	D458	D458-S460 VanDerWaalsContact C-N 3.33Å; D458-S460 WeakPolarHBondContact OD1-CB 3.47Å; D458-S460 PolarHBondContact OD1-N 3.06Å; D458-S460 VanDerWaalsContact OD1-N 3.16Å; D458-S460 PolarHBondContact OD1-OG 3.32Å; D458-S460 PolarHBondContact OD2-OG 2.88Å
461	N	56.4	Low	75.9	Confident	150 Å²	150	62.9 Å²	62.9	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	13.2	-170.4	-66.6	-33.4	0	0	0	114.6	L459	L459-N461 PolarHBondContact O-N 3.15Å
462	I	63.1	Low	75.7	Confident	76 Å²	76	65.8 Å²	65.8	39%	0.39	33%	0.327	S	S	.	.	S	Bend	trans	-113.7	138.5	-173	-51.5	176	0	0	0	110.3	L464 L467	I462-L464 PolarHBondContact O-N 3.48Å; I462-L464 VanDerWaalsContact O-N 3.08Å; I462-L467 HydrophobicContact CB-CD2 4.1Å; I462-L467 HydrophobicContact CD1-CD1 4.4Å; I462-L467 HydrophobicContact CG2-CB 3.95Å; I462-L467 HydrophobicContact CG2-CD1 4.2Å; I462-L467 HydrophobicContact CG2-CD2 4.18Å; I462-L467 HydrophobicContact CG2-CG 4.33Å
463	N	68.7	Low	75.7	Confident	96 Å²	96	68.9 Å²	68.9	51%	0.513	34%	0.343	S	S	.	.			trans	-56.3	114.3	173.1	-177.2	-18.5	0	0	0	110.5	N465 E466 L467	N463-N465 VanDerWaalsContact C-N 3.27Å; N463-N465 PolarHBondContact O-N 2.75Å; N463-N465 PolarHBondContact OD1-N 3.01Å; N463-E466 PolarHBondContact O-N 3.27Å; N463-L467 VanDerWaalsContact O-CB 3.3Å; N463-L467 WeakPolarHBondContact O-CB 3.48Å; N463-L467 PolarHBondContact O-N 3.34Å
464	L	68.1	Low	75.8	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.267	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-34.9	-172.9	-76.1	170.1	0	0	0	113.5	M391 T396 I462 K468	M391-L464 HydrophobicContact CE-CD2 3.65Å; M391-L464 HydrophobicContact SD-CD1 4.35Å; M391-L464 HydrophobicContact SD-CD2 3.63Å; T396-L464 HydrophobicContact CG2-CD1 4.3Å; I462-L464 PolarHBondContact O-N 3.48Å; I462-L464 VanDerWaalsContact O-N 3.08Å; L464-K468 WeakPolarHBondContact O-CB 3.24Å; L464-K468 PolarHBondContact O-N 3.14Å
465	N	70.5	Confident	76.3	Confident	117 Å²	117	66.5 Å²	66.5	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-72.3	-46	-175.1	-73.9	-21.8	0	0	0	112	N463 L467 Q469	N463-N465 VanDerWaalsContact C-N 3.27Å; N463-N465 PolarHBondContact O-N 2.75Å; N463-N465 PolarHBondContact OD1-N 3.01Å; N465-L467 VanDerWaalsContact C-N 3.34Å; N465-Q469 PolarHBondContact O-N 3.43Å
466	E	74.8	Confident	76.9	Confident	116 Å²	116	73.5 Å²	73.5	54%	0.542	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-38.2	174.9	-72.3	-174.4	-165.9	0	0	111.9	N463 K470	N463-E466 PolarHBondContact O-N 3.27Å; E466-K470 WeakPolarHBondContact O-CG 3.17Å; E466-K470 PolarHBondContact O-N 3Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 IonicContact OE2-NZ 3.64Å
467	L	76.2	Confident	77.7	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.037	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-44.1	178.5	-177.5	62.8	0	0	0	111.5	L459 I462 N463 N465 Q469 K470 M471	L459-L467 HydrophobicContact CB-CD2 4.18Å; L459-L467 HydrophobicContact CD2-CD1 4.47Å; L459-L467 HydrophobicContact CD2-CD2 3.8Å; L459-L467 HydrophobicContact CG-CD2 4.37Å; I462-L467 HydrophobicContact CB-CD2 4.1Å; I462-L467 HydrophobicContact CD1-CD1 4.4Å; I462-L467 HydrophobicContact CG2-CB 3.95Å; I462-L467 HydrophobicContact CG2-CD1 4.2Å; I462-L467 HydrophobicContact CG2-CD2 4.18Å; I462-L467 HydrophobicContact CG2-CG 4.33Å; N463-L467 VanDerWaalsContact O-CB 3.3Å; N463-L467 WeakPolarHBondContact O-CB 3.48Å; N463-L467 PolarHBondContact O-N 3.34Å; N465-L467 VanDerWaalsContact C-N 3.34Å; L467-Q469 PolarHBondContact O-N 3.01Å; L467-K470 PolarHBondContact O-N 3.22Å; L467-M471 HydrophobicContact CD1-CE 3.87Å; L467-M471 HydrophobicContact CD1-CG 4.11Å; L467-M471 HydrophobicContact CD1-SD 4.09Å; L467-M471 HydrophobicContact CD2-CE 4.42Å; L467-M471 HydrophobicContact CD2-SD 4.48Å; L467-M471 HydrophobicContact CG-CE 4.19Å; L467-M471 HydrophobicContact CG-CG 4.37Å; L467-M471 HydrophobicContact CG-SD 3.94Å; L467-M471 WeakPolarHBondContact O-CB 3.43Å; L467-M471 VanDerWaalsContact O-CG 3.3Å; L467-M471 WeakPolarHBondContact O-CG 3.41Å; L467-M471 PolarHBondContact O-N 2.92Å
468	K	79.5	Confident	78.8	Confident	48 Å²	48	71 Å²	71	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-56.1	-50.8	176.9	176.5	178.2	-179.4	-169.5	0	111	D400 F403 L464 M471 Q472	D400-K468 IonicContact OD1-NZ 3.84Å; D400-K468 PolarHBondContact OD1-NZ 2.76Å; F403-K468 HydrophobicContact CD1-CD 4.11Å; F403-K468 HydrophobicContact CD1-CG 4.01Å; F403-K468 HydrophobicContact CD2-CG 4.31Å; F403-K468 HydrophobicContact CE1-CB 4.06Å; F403-K468 HydrophobicContact CE1-CD 3.92Å; F403-K468 HydrophobicContact CE1-CG 3.69Å; F403-K468 HydrophobicContact CE2-CB 4.26Å; F403-K468 HydrophobicContact CE2-CG 3.99Å; F403-K468 HydrophobicContact CG-CG 4.33Å; F403-K468 HydrophobicContact CZ-CB 3.74Å; F403-K468 HydrophobicContact CZ-CD 4.41Å; F403-K468 HydrophobicContact CZ-CG 3.69Å; L464-K468 WeakPolarHBondContact O-CB 3.24Å; L464-K468 PolarHBondContact O-N 3.14Å; K468-M471 PolarHBondContact O-N 3.46Å; K468-Q472 WeakPolarHBondContact O-CB 3.49Å; K468-Q472 VanDerWaalsContact O-CG 3.28Å; K468-Q472 WeakPolarHBondContact O-CG 3.46Å; K468-Q472 PolarHBondContact O-N 3.45Å
469	Q	83.6	Confident	80.3	Confident	90 Å²	90	68.3 Å²	68.3	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-52	179.3	-173.8	59.2	44.2	0	0	111.2	N465 L467 M471 Q472 D473	N465-Q469 PolarHBondContact O-N 3.43Å; L467-Q469 PolarHBondContact O-N 3.01Å; Q469-M471 VanDerWaalsContact C-N 3.32Å; Q469-M471 PolarHBondContact O-N 3.37Å; Q469-Q472 PolarHBondContact O-N 2.89Å; Q469-D473 VanDerWaalsContact NE2-CG 3.29Å; Q469-D473 PolarHBondContact NE2-OD1 3.08Å; Q469-D473 PolarHBondContact NE2-OD2 3.34Å; Q469-D473 WeakPolarHBondContact O-CB 3.46Å; Q469-D473 PolarHBondContact O-N 3.41Å
470	K	85.6	Confident	81.9	Confident	108 Å²	108	70.9 Å²	70.9	47%	0.47	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-41.8	179.9	-73.8	174	179.8	166.8	0	112.7	E466 L467 K474	E466-K470 WeakPolarHBondContact O-CG 3.17Å; E466-K470 PolarHBondContact O-N 3Å; E466-K470 VanDerWaalsContact O-N 3.09Å; E466-K470 IonicContact OE2-NZ 3.64Å; L467-K470 PolarHBondContact O-N 3.22Å; K470-K474 WeakPolarHBondContact O-CG 3.42Å; K470-K474 PolarHBondContact O-N 3.14Å; K470-K474 VanDerWaalsContact O-N 3.08Å
471	M	86.1	Confident	83.8	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.1	-41.3	178.9	-73.8	-178.6	155.2	0	0	112.4	F403 F404 L407 Y454 L455 L459 L467 K468 Q469 D473 K474 A475	F403-M471 HydrophobicContact CE2-CB 4.49Å; F404-M471 HydrophobicContact CD1-SD 4.42Å; F404-M471 HydrophobicContact CE1-CE 4.43Å; F404-M471 HydrophobicContact CE1-SD 3.73Å; L407-M471 HydrophobicContact CD1-CB 3.61Å; L407-M471 HydrophobicContact CD1-CG 4.32Å; L407-M471 HydrophobicContact CD1-SD 3.95Å; L407-M471 HydrophobicContact CD2-CB 4.49Å; Y454-M471 WeakPolarHBondContact O-CE 3.4Å; L455-M471 HydrophobicContact CD2-CE 4.02Å; L455-M471 HydrophobicContact CD2-SD 4.33Å; L459-M471 HydrophobicContact CD1-CE 4.01Å; L459-M471 HydrophobicContact CD2-CE 3.55Å; L459-M471 HydrophobicContact CG-CE 4.44Å; L467-M471 HydrophobicContact CD1-CE 3.87Å; L467-M471 HydrophobicContact CD1-CG 4.11Å; L467-M471 HydrophobicContact CD1-SD 4.09Å; L467-M471 HydrophobicContact CD2-CE 4.42Å; L467-M471 HydrophobicContact CD2-SD 4.48Å; L467-M471 HydrophobicContact CG-CE 4.19Å; L467-M471 HydrophobicContact CG-CG 4.37Å; L467-M471 HydrophobicContact CG-SD 3.94Å; L467-M471 WeakPolarHBondContact O-CB 3.43Å; L467-M471 VanDerWaalsContact O-CG 3.3Å; L467-M471 WeakPolarHBondContact O-CG 3.41Å; L467-M471 PolarHBondContact O-N 2.92Å; K468-M471 PolarHBondContact O-N 3.46Å; Q469-M471 VanDerWaalsContact C-N 3.32Å; Q469-M471 PolarHBondContact O-N 3.37Å; M471-D473 VanDerWaalsContact C-N 3.34Å; M471-K474 PolarHBondContact O-N 3.32Å; M471-A475 WeakPolarHBondContact O-CB 3.44Å; M471-A475 PolarHBondContact O-N 3.22Å
472	Q	88.7	Confident	85.8	Confident	61 Å²	61	62.8 Å²	62.8	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-40.8	175.6	-74.7	-179	-29.1	0	0	111.5	F403 K468 Q469 A475 R476	F403-Q472 HydrophobicContact CD2-CG 4.02Å; K468-Q472 WeakPolarHBondContact O-CB 3.49Å; K468-Q472 VanDerWaalsContact O-CG 3.28Å; K468-Q472 WeakPolarHBondContact O-CG 3.46Å; K468-Q472 PolarHBondContact O-N 3.45Å; Q469-Q472 PolarHBondContact O-N 2.89Å; Q472-A475 PolarHBondContact O-N 2.95Å; Q472-R476 WeakPolarHBondContact O-CB 3.36Å; Q472-R476 VanDerWaalsContact O-CG 3.3Å; Q472-R476 WeakPolarHBondContact O-CG 3.46Å; Q472-R476 PolarHBondContact O-N 3.17Å
473	D	91.5	Very high	87.4	Confident	65 Å²	65	62 Å²	62	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-46.2	176.4	-67	-23.3	0	0	0	111.5	Q469 M471 A475 R476 Y477	Q469-D473 VanDerWaalsContact NE2-CG 3.29Å; Q469-D473 PolarHBondContact NE2-OD1 3.08Å; Q469-D473 PolarHBondContact NE2-OD2 3.34Å; Q469-D473 WeakPolarHBondContact O-CB 3.46Å; Q469-D473 PolarHBondContact O-N 3.41Å; M471-D473 VanDerWaalsContact C-N 3.34Å; D473-A475 PolarHBondContact O-N 3.07Å; D473-R476 PolarHBondContact O-N 3.21Å; D473-R476 IonicContact OD1-CZ 3.96Å; D473-R476 IonicContact OD1-NE 2.68Å; D473-R476 IonicContact OD1-NH2 3.76Å; D473-R476 PolarHBondContact OD1-NH2 3.32Å; D473-Y477 WeakPolarHBondContact O-CB 3.23Å; D473-Y477 PolarHBondContact O-N 3.09Å
474	K	92	Very high	88.8	Confident	48 Å²	48	60.1 Å²	60.1	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175.5	-75.9	-174.6	177.4	-64.8	0	112.7	L451 Y454 K470 M471 Y477 C478	L451-K474 HydrophobicContact CD1-CB 4.3Å; Y454-K474 HydrophobicContact CD2-CD 3.94Å; Y454-K474 HydrophobicContact CE2-CD 4.05Å; Y454-K474 HydrophobicContact CG-CD 4.22Å; K470-K474 WeakPolarHBondContact O-CG 3.42Å; K470-K474 PolarHBondContact O-N 3.14Å; K470-K474 VanDerWaalsContact O-N 3.08Å; M471-K474 PolarHBondContact O-N 3.32Å; K474-Y477 PolarHBondContact O-N 3.39Å; K474-C478 VanDerWaalsContact O-CB 3.26Å; K474-C478 WeakPolarHBondContact O-CB 3.4Å; K474-C478 PolarHBondContact O-N 2.88Å
475	A	93.6	Very high	90.3	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-42	178.1	0	0	0	0	0	112.4	L407 I410 L451 M471 Q472 D473 Y477 C478 E479	L407-A475 HydrophobicContact CD2-CB 3.35Å; I410-A475 HydrophobicContact CD1-CB 3.9Å; I410-A475 HydrophobicContact CG2-CB 4.24Å; L451-A475 HydrophobicContact CD1-CB 4.13Å; L451-A475 HydrophobicContact CD2-CB 4.07Å; M471-A475 WeakPolarHBondContact O-CB 3.44Å; M471-A475 PolarHBondContact O-N 3.22Å; Q472-A475 PolarHBondContact O-N 2.95Å; D473-A475 PolarHBondContact O-N 3.07Å; A475-Y477 VanDerWaalsContact C-N 3.34Å; A475-Y477 PolarHBondContact O-N 3.21Å; A475-C478 PolarHBondContact O-N 3.16Å; A475-E479 WeakPolarHBondContact O-CB 3.3Å; A475-E479 PolarHBondContact O-N 3.45Å
476	R	95.5	Very high	91.6	Very high	150 Å²	150	52.4 Å²	52.4	57%	0.566	24%	0.243	S	C	*	.	H	α-helix	trans	-60.6	-43.6	173.9	-75.2	-170.4	-70.7	179.4	-2.2	111.6	Q472 D473 E479 S480	Q472-R476 WeakPolarHBondContact O-CB 3.36Å; Q472-R476 VanDerWaalsContact O-CG 3.3Å; Q472-R476 WeakPolarHBondContact O-CG 3.46Å; Q472-R476 PolarHBondContact O-N 3.17Å; D473-R476 PolarHBondContact O-N 3.21Å; D473-R476 IonicContact OD1-CZ 3.96Å; D473-R476 IonicContact OD1-NE 2.68Å; D473-R476 IonicContact OD1-NH2 3.76Å; D473-R476 PolarHBondContact OD1-NH2 3.32Å; R476-E479 PolarHBondContact O-N 2.9Å; R476-S480 WeakPolarHBondContact O-CB 3.4Å; R476-S480 PolarHBondContact O-N 3.32Å
477	Y	96.1	Very high	92.7	Very high	123 Å²	123	51.4 Å²	51.4	48%	0.482	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176	-178.7	-108.9	0	0	0	112	D473 K474 A475 E479 S480 R481	D473-Y477 WeakPolarHBondContact O-CB 3.23Å; D473-Y477 PolarHBondContact O-N 3.09Å; K474-Y477 PolarHBondContact O-N 3.39Å; A475-Y477 VanDerWaalsContact C-N 3.34Å; A475-Y477 PolarHBondContact O-N 3.21Å; Y477-E479 PolarHBondContact O-N 2.97Å; Y477-S480 WeakPolarHBondContact O-CB 3.44Å; Y477-S480 PolarHBondContact O-N 2.99Å; Y477-R481 HydrophobicContact CD1-CG 4.26Å; Y477-R481 HydrophobicContact CD2-CG 4.48Å; Y477-R481 HydrophobicContact CE1-CG 3.83Å; Y477-R481 HydrophobicContact CE2-CG 4.07Å; Y477-R481 WeakPolarHBondContact O-CG 3.14Å; Y477-R481 PolarHBondContact O-N 3.4Å
478	C	96.3	Very high	93.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-44.9	177.2	-169.6	0	0	0	0	111.8	C414 T448 L451 K474 A475 S480 R481 R482	C414-C478 PolarHBondContact SG-SG 2.69Å; T448-C478 PolarHBondContact OG1-SG 3.2Å; T448-C478 VanDerWaalsContact OG1-SG 3.35Å; L451-C478 HydrophobicContact CD2-CB 4.36Å; K474-C478 VanDerWaalsContact O-CB 3.26Å; K474-C478 WeakPolarHBondContact O-CB 3.4Å; K474-C478 PolarHBondContact O-N 2.88Å; A475-C478 PolarHBondContact O-N 3.16Å; C478-S480 PolarHBondContact O-N 3.12Å; C478-R481 PolarHBondContact O-N 3.31Å; C478-R482 PolarHBondContact O-N 2.9Å
479	E	96.9	Very high	94.6	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-41.1	174.7	-177.3	164.8	-157.7	0	0	112.2	I410 R413 A475 R476 Y477 R482 N483	I410-E479 HydrophobicContact CG2-CB 4.13Å; R413-E479 IonicContact CZ-OE1 3.88Å; R413-E479 IonicContact NH1-OE1 3.45Å; R413-E479 PolarHBondContact NH1-OE1 3.42Å; R413-E479 IonicContact NH2-OE1 2.66Å; R413-E479 PolarHBondContact NH2-OE1 2.92Å; R413-E479 IonicContact NH2-OE2 3.65Å; R413-E479 PolarHBondContact NH2-OE2 3.19Å; A475-E479 WeakPolarHBondContact O-CB 3.3Å; A475-E479 PolarHBondContact O-N 3.45Å; R476-E479 PolarHBondContact O-N 2.9Å; Y477-E479 PolarHBondContact O-N 2.97Å; E479-R482 WeakPolarHBondContact O-CB 3.31Å; E479-R482 PolarHBondContact O-N 3.09Å; E479-N483 VanDerWaalsContact O-CG 3.29Å; E479-N483 PolarHBondContact O-N 2.94Å; E479-N483 PolarHBondContact O-OD1 3.04Å
480	S	97.9	Very high	95.2	Very high	60 Å²	60	48.2 Å²	48.2	42%	0.42	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-46.4	174.3	174.2	0	0	0	0	111.9	R476 Y477 C478 R482 N483 V484	R476-S480 WeakPolarHBondContact O-CB 3.4Å; R476-S480 PolarHBondContact O-N 3.32Å; Y477-S480 WeakPolarHBondContact O-CB 3.44Å; Y477-S480 PolarHBondContact O-N 2.99Å; C478-S480 PolarHBondContact O-N 3.12Å; S480-R482 VanDerWaalsContact C-N 3.27Å; S480-R482 PolarHBondContact O-N 3.38Å; S480-N483 PolarHBondContact O-N 3.22Å; S480-N483 VanDerWaalsContact O-N 3.16Å; S480-V484 WeakPolarHBondContact O-CG2 3.33Å; S480-V484 PolarHBondContact O-N 3.47Å
481	R	97.9	Very high	95.8	Very high	37 Å²	37	47 Å²	47	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-36.2	176.1	-70.5	-46.9	-49	-170.3	-4.4	112.6	N440 D443 L444 Y477 C478 L485	N440-R481 PolarHBondContact OD1-NH2 3.4Å; D443-R481 VanDerWaalsContact CB-CZ 3.47Å; D443-R481 VanDerWaalsContact CB-NH2 3.3Å; D443-R481 IonicContact OD2-CZ 3.77Å; D443-R481 IonicContact OD2-NE 3.49Å; D443-R481 IonicContact OD2-NH1 2.87Å; D443-R481 IonicContact OD2-NH2 3.85Å; D443-R481 PolarHBondContact OD2-NH2 3.36Å; L444-R481 HydrophobicContact CB-CB 4.32Å; L444-R481 HydrophobicContact CD1-CB 4.21Å; Y477-R481 HydrophobicContact CD1-CG 4.26Å; Y477-R481 HydrophobicContact CD2-CG 4.48Å; Y477-R481 HydrophobicContact CE1-CG 3.83Å; Y477-R481 HydrophobicContact CE2-CG 4.07Å; Y477-R481 WeakPolarHBondContact O-CG 3.14Å; Y477-R481 PolarHBondContact O-N 3.4Å; C478-R481 PolarHBondContact O-N 3.31Å; R481-L485 WeakPolarHBondContact O-CB 3.33Å; R481-L485 PolarHBondContact O-N 3.36Å; R481-L485 VanDerWaalsContact O-N 3.12Å
482	R	98.4	Very high	96.3	Very high	18 Å²	18	47 Å²	47	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-47.6	174.1	-177.7	-168.4	164.6	-89.6	-4.1	110.7	T417 L444 C478 E479 S480 L485 L486	T417-R482 HydrophobicContact CG2-CG 4.01Å; T417-R482 PolarHBondContact OG1-NE 3.49Å; L444-R482 HydrophobicContact CD1-CB 3.82Å; L444-R482 HydrophobicContact CD2-CB 4.26Å; L444-R482 HydrophobicContact CD2-CG 4.41Å; C478-R482 PolarHBondContact O-N 2.9Å; E479-R482 WeakPolarHBondContact O-CB 3.31Å; E479-R482 PolarHBondContact O-N 3.09Å; S480-R482 VanDerWaalsContact C-N 3.27Å; S480-R482 PolarHBondContact O-N 3.38Å; R482-L485 PolarHBondContact O-N 3.33Å; R482-L486 HydrophobicContact CG-CD1 4.07Å; R482-L486 VanDerWaalsContact NH2-CD1 3.32Å; R482-L486 WeakPolarHBondContact O-CG 3.3Å; R482-L486 PolarHBondContact O-N 2.98Å
483	N	98.1	Very high	96.6	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-46.6	-178.9	-64	-11.3	0	0	0	111.2	E479 S480 L485 L486 D487	E479-N483 VanDerWaalsContact O-CG 3.29Å; E479-N483 PolarHBondContact O-N 2.94Å; E479-N483 PolarHBondContact O-OD1 3.04Å; S480-N483 PolarHBondContact O-N 3.22Å; S480-N483 VanDerWaalsContact O-N 3.16Å; N483-L485 PolarHBondContact O-N 3.3Å; N483-L486 PolarHBondContact O-N 2.92Å; N483-D487 WeakPolarHBondContact O-CB 3.38Å; N483-D487 PolarHBondContact O-N 2.9Å
484	V	98.3	Very high	96.8	Very high	56 Å²	56	48.7 Å²	48.7	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-55.1	-40	175.4	171.6	0	0	0	0	112.4	S480 H488	S480-V484 WeakPolarHBondContact O-CG2 3.33Å; S480-V484 PolarHBondContact O-N 3.47Å; V484-H488 WeakPolarHBondContact O-CB 3.28Å; V484-H488 PolarHBondContact O-N 3.11Å
485	L	98.4	Very high	96.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-48.7	175.7	-176.3	154.9	0	0	0	111.5	P260 T421 F437 N440 Q441 L444 R481 R482 N483 V489	P260-L485 HydrophobicContact CG-CD2 4.4Å; T421-L485 HydrophobicContact CG2-CD1 3.92Å; T421-L485 HydrophobicContact CG2-CD2 3.71Å; F437-L485 HydrophobicContact CD2-CD2 4.47Å; F437-L485 HydrophobicContact CD2-CG 4.42Å; F437-L485 HydrophobicContact CE2-CD1 4.47Å; F437-L485 HydrophobicContact CE2-CD2 4.08Å; F437-L485 HydrophobicContact CE2-CG 4.34Å; N440-L485 HydrophobicContact CB-CB 4.13Å; N440-L485 HydrophobicContact CB-CD1 4.41Å; N440-L485 HydrophobicContact CB-CG 4.26Å; Q441-L485 VanDerWaalsContact CA-CD1 3.47Å; Q441-L485 HydrophobicContact CB-CD1 3.98Å; L444-L485 HydrophobicContact CB-CD1 4.39Å; L444-L485 HydrophobicContact CD2-CD1 3.99Å; R481-L485 WeakPolarHBondContact O-CB 3.33Å; R481-L485 PolarHBondContact O-N 3.36Å; R481-L485 VanDerWaalsContact O-N 3.12Å; R482-L485 PolarHBondContact O-N 3.33Å; N483-L485 PolarHBondContact O-N 3.3Å; L485-V489 HydrophobicContact CD2-CG2 4.38Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.92Å
486	L	98	Very high	96.9	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-46	-176.9	-67.6	176.5	0	0	0	111.7	D259 P260 T417 R482 N483 H488 V489 H490	D259-L486 HydrophobicContact CB-CD2 4.16Å; D259-L486 WeakPolarHBondContact OD2-CD1 3.26Å; P260-L486 HydrophobicContact CB-CD2 3.88Å; P260-L486 HydrophobicContact CG-CD2 4.33Å; T417-L486 HydrophobicContact CG2-CD1 4.26Å; T417-L486 HydrophobicContact CG2-CD2 3.81Å; T417-L486 HydrophobicContact CG2-CG 4.2Å; R482-L486 HydrophobicContact CG-CD1 4.07Å; R482-L486 VanDerWaalsContact NH2-CD1 3.32Å; R482-L486 WeakPolarHBondContact O-CG 3.3Å; R482-L486 PolarHBondContact O-N 2.98Å; N483-L486 PolarHBondContact O-N 2.92Å; L486-H488 VanDerWaalsContact C-N 3.26Å; L486-H488 PolarHBondContact O-N 2.64Å; L486-V489 CarbonylContact O-C 3.57Å; L486-V489 WeakPolarHBondContact O-CA 3.38Å; L486-V489 PolarHBondContact O-N 3.15Å; L486-H490 PolarHBondContact O-CD2 2.95Å; L486-H490 VanDerWaalsContact O-CG 3.29Å; L486-H490 PolarHBondContact O-N 3.1Å
487	D	98.1	Very high	96.7	Very high	96 Å²	96	50.7 Å²	50.7	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-55.6	-43.4	177.9	-63.6	-19.3	0	0	0	110.9	N483 V489 H490 E491	N483-D487 WeakPolarHBondContact O-CB 3.38Å; N483-D487 PolarHBondContact O-N 2.9Å; D487-V489 PolarHBondContact O-N 3.36Å; D487-H490 PolarHBondContact O-N 3.48Å; D487-E491 WeakPolarHBondContact O-CB 2.93Å; D487-E491 PolarHBondContact O-N 2.82Å
488	H	98.3	Very high	96.7	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-37.7	175.9	178.1	-112.2	0	0	0	112.7	H433 V484 L486 G492 W498	H433-H488 AromaticContact ND1-NE2 3.46Å; H433-H488 PolarHBondContact ND1-NE2 3.47Å; H433-H488 PolarHBondContact O-CE1 3.12Å; V484-H488 WeakPolarHBondContact O-CB 3.28Å; V484-H488 PolarHBondContact O-N 3.11Å; L486-H488 VanDerWaalsContact C-N 3.26Å; L486-H488 PolarHBondContact O-N 2.64Å; H488-G492 PolarHBondContact O-N 2.62Å; H488-G492 VanDerWaalsContact O-N 3.12Å; H488-W498 AromaticContact CE1-CH2 3.65Å
489	V	97.7	Very high	96.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-40.5	176	-179.1	0	0	0	0	111.4	P260 F424 F437 L485 L486 D487 G492 Y493 W498	P260-V489 HydrophobicContact CB-CB 4.05Å; P260-V489 HydrophobicContact CB-CG1 3.74Å; P260-V489 HydrophobicContact CB-CG2 4.21Å; F424-V489 HydrophobicContact CE1-CG1 4.25Å; F424-V489 HydrophobicContact CE1-CG2 4.15Å; F424-V489 HydrophobicContact CE2-CG1 3.91Å; F424-V489 HydrophobicContact CZ-CG1 3.74Å; F424-V489 HydrophobicContact CZ-CG2 4.37Å; F437-V489 HydrophobicContact CD2-CG2 3.57Å; F437-V489 HydrophobicContact CE2-CG2 3.96Å; L485-V489 HydrophobicContact CD2-CG2 4.38Å; L485-V489 WeakPolarHBondContact O-CG2 3.45Å; L485-V489 PolarHBondContact O-N 2.92Å; L486-V489 CarbonylContact O-C 3.57Å; L486-V489 WeakPolarHBondContact O-CA 3.38Å; L486-V489 PolarHBondContact O-N 3.15Å; D487-V489 PolarHBondContact O-N 3.36Å; V489-G492 CarbonylContact O-C 3.54Å; V489-G492 PolarHBondContact O-N 3.15Å; V489-Y493 HydrophobicContact CG1-CD2 4.18Å; V489-Y493 HydrophobicContact CG1-CE2 3.65Å; V489-Y493 PolarHBondContact O-N 3.4Å; V489-W498 HydrophobicContact CB-CZ2 4.48Å; V489-W498 HydrophobicContact CG2-CZ2 4.35Å; V489-W498 PolarHBondContact O-NE1 3.44Å
490	H	96.8	Very high	95.8	Very high	57 Å²	57	55.2 Å²	55.2	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-46	177.2	-64.2	170	0	0	0	111.6	D259 L486 D487 G492 Y493 D494	D259-H490 IonicContact OD1-CD2 3.14Å; D259-H490 IonicContact OD1-CE1 3.92Å; D259-H490 IonicContact OD1-NE2 3.51Å; D259-H490 PolarHBondContact OD1-NE2 2.84Å; D259-H490 IonicContact OD2-CE1 2.69Å; D259-H490 PolarHBondContact OD2-CE1 2.86Å; D259-H490 IonicContact OD2-NE2 3.16Å; D259-H490 PolarHBondContact OD2-NE2 2.9Å; L486-H490 PolarHBondContact O-CD2 2.95Å; L486-H490 VanDerWaalsContact O-CG 3.29Å; L486-H490 PolarHBondContact O-N 3.1Å; D487-H490 PolarHBondContact O-N 3.48Å; H490-G492 PolarHBondContact O-N 3.09Å; H490-Y493 WeakPolarHBondContact O-CA 3.23Å; H490-Y493 WeakPolarHBondContact O-CB 3.49Å; H490-Y493 PolarHBondContact O-N 3.3Å; H490-D494 PolarHBondContact O-N 3Å
491	E	96.9	Very high	94.9	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-55.2	-41.4	172	-177.9	-175.1	-177	0	0	111.1	D487 Y493 D494 K495 F497	D487-E491 WeakPolarHBondContact O-CB 2.93Å; D487-E491 PolarHBondContact O-N 2.82Å; E491-Y493 VanDerWaalsContact C-N 3.31Å; E491-Y493 PolarHBondContact O-N 3.22Å; E491-D494 PolarHBondContact O-N 3.5Å; E491-K495 HydrophobicContact CG-CD 3.93Å; E491-K495 HydrophobicContact CG-CG 4.47Å; E491-K495 WeakPolarHBondContact O-CB 2.95Å; E491-K495 PolarHBondContact O-N 3.26Å; E491-K495 WeakPolarHBondContact OE1-CE 3.47Å; E491-K495 IonicContact OE1-NZ 3.46Å; E491-K495 PolarHBondContact OE1-NZ 3.1Å; E491-F497 HydrophobicContact CG-CE2 4.33Å
492	G	96.6	Very high	93.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-24.3	176.6	0	0	0	0	0	114.7	H488 V489 H490 G496 F497 W498	H488-G492 PolarHBondContact O-N 2.62Å; H488-G492 VanDerWaalsContact O-N 3.12Å; V489-G492 CarbonylContact O-C 3.54Å; V489-G492 PolarHBondContact O-N 3.15Å; H490-G492 PolarHBondContact O-N 3.09Å; G492-G496 CarbonylContact O-C 3.58Å; G492-G496 WeakPolarHBondContact O-CA 3.3Å; G492-G496 PolarHBondContact O-N 3.32Å; G492-F497 PolarHBondContact O-N 2.86Å; G492-W498 VanDerWaalsContact CA-NE1 3.29Å
493	Y	95.3	Very high	91.6	Very high	45 Å²	45	60.6 Å²	60.6	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-42.5	168.3	-73.5	-43.4	0	0	0	111.5	P260 R262 F424 V489 H490 E491 W498	P260-Y493 PolarHBondContact O-OH 3.14Å; R262-Y493 HydrophobicContact CG-CE1 4.03Å; R262-Y493 HydrophobicContact CG-CE2 4.41Å; R262-Y493 VanDerWaalsContact NE-CD1 3.26Å; F424-Y493 WeakPolarHBondContact CD2-OH 3.25Å; F424-Y493 HydrophobicContact CE2-CE1 4.24Å; F424-Y493 AromaticContact CE2-CZ 3.96Å; F424-Y493 WeakPolarHBondContact CE2-OH 3.3Å; V489-Y493 HydrophobicContact CG1-CD2 4.18Å; V489-Y493 HydrophobicContact CG1-CE2 3.65Å; V489-Y493 PolarHBondContact O-N 3.4Å; H490-Y493 WeakPolarHBondContact O-CA 3.23Å; H490-Y493 WeakPolarHBondContact O-CB 3.49Å; H490-Y493 PolarHBondContact O-N 3.3Å; E491-Y493 VanDerWaalsContact C-N 3.31Å; E491-Y493 PolarHBondContact O-N 3.22Å; Y493-W498 AromaticContact CD1-CD1 3.46Å; Y493-W498 VanDerWaalsContact CD1-CD1 3.46Å; Y493-W498 HydrophobicContact CD1-CG 4.49Å; Y493-W498 AromaticContact CE1-CD1 3.67Å; Y493-W498 HydrophobicContact CE1-CG 4.48Å
494	D	95.1	Very high	89.5	Confident	117 Å²	117	60.4 Å²	60.4	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-66.1	-39.4	-180	-67.3	-15	0	0	0	111.7	R38 H490 E491	R38-D494 IonicContact NH2-OD2 2.7Å; H490-D494 PolarHBondContact O-N 3Å; E491-D494 PolarHBondContact O-N 3.5Å
495	K	95.5	Very high	89	Confident	131 Å²	131	60.7 Å²	60.7	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-93.3	-4.8	-178.1	-64.4	-177.3	178.1	176.2	0	114.5	E491 F497	E491-K495 HydrophobicContact CG-CD 3.93Å; E491-K495 HydrophobicContact CG-CG 4.47Å; E491-K495 WeakPolarHBondContact O-CB 2.95Å; E491-K495 PolarHBondContact O-N 3.26Å; E491-K495 WeakPolarHBondContact OE1-CE 3.47Å; E491-K495 IonicContact OE1-NZ 3.46Å; E491-K495 PolarHBondContact OE1-NZ 3.1Å; K495-F497 HydrophobicContact CB-CD1 3.87Å; K495-F497 HydrophobicContact CB-CD2 4.47Å; K495-F497 HydrophobicContact CB-CE1 3.4Å; K495-F497 HydrophobicContact CB-CE2 4.03Å; K495-F497 HydrophobicContact CB-CG 4.39Å; K495-F497 HydrophobicContact CB-CZ 3.5Å; K495-F497 VanDerWaalsContact CB-CZ 3.5Å; K495-F497 HydrophobicContact CD-CE1 3.96Å; K495-F497 HydrophobicContact CD-CE2 3.93Å; K495-F497 HydrophobicContact CD-CZ 3.29Å; K495-F497 HydrophobicContact CG-CE1 4.32Å; K495-F497 HydrophobicContact CG-CZ 4.01Å
496	G	93.8	Very high	88.5	Confident	62 Å²	62	63.8 Å²	63.8	64%	0.639	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	35.3	178.3	0	0	0	0	0	114.8	G492 W498	G492-G496 CarbonylContact O-C 3.58Å; G492-G496 WeakPolarHBondContact O-CA 3.3Å; G492-G496 PolarHBondContact O-N 3.32Å; G496-W498 VanDerWaalsContact C-N 3.33Å
497	F	91.4	Very high	88	Confident	48 Å²	48	67.1 Å²	67.1	21%	0.211	35%	0.35	C	S	.	.			trans	-73.8	-22.4	179.4	-60.2	-24.5	0	0	0	114	N431 H433 E491 G492 K495	N431-F497 PolarHBondContact ND2-O 3.07Å; H433-F497 HydrophobicContact CB-CB 4.29Å; H433-F497 HydrophobicContact CB-CD2 4.44Å; H433-F497 AromaticContact CD2-CD1 3.95Å; H433-F497 AromaticContact CD2-CD2 3.67Å; H433-F497 AromaticContact CD2-CG 3.54Å; H433-F497 AromaticContact CE1-CD2 3.41Å; H433-F497 VanDerWaalsContact CE1-CD2 3.41Å; H433-F497 WeakPolarHBondContact CE1-CD2 3.23Å; H433-F497 AromaticContact CE1-CE2 3.24Å; H433-F497 WeakPolarHBondContact CE1-CE2 3.49Å; H433-F497 AromaticContact CE1-CZ 3.62Å; H433-F497 AromaticContact CG-CD2 3.61Å; H433-F497 AromaticContact CG-CG 3.88Å; H433-F497 AromaticContact ND1-CD2 3.45Å; H433-F497 WeakPolarHBondContact ND1-CD2 3.45Å; H433-F497 AromaticContact ND1-CE2 3.67Å; H433-F497 AromaticContact NE2-CD1 3.76Å; H433-F497 AromaticContact NE2-CD2 3.58Å; H433-F497 AromaticContact NE2-CE1 3.75Å; H433-F497 AromaticContact NE2-CE2 3.62Å; H433-F497 AromaticContact NE2-CG 3.67Å; H433-F497 AromaticContact NE2-CZ 3.67Å; E491-F497 HydrophobicContact CG-CE2 4.33Å; G492-F497 PolarHBondContact O-N 2.86Å; K495-F497 HydrophobicContact CB-CD1 3.87Å; K495-F497 HydrophobicContact CB-CD2 4.47Å; K495-F497 HydrophobicContact CB-CE1 3.4Å; K495-F497 HydrophobicContact CB-CE2 4.03Å; K495-F497 HydrophobicContact CB-CG 4.39Å; K495-F497 HydrophobicContact CB-CZ 3.5Å; K495-F497 VanDerWaalsContact CB-CZ 3.5Å; K495-F497 HydrophobicContact CD-CE1 3.96Å; K495-F497 HydrophobicContact CD-CE2 3.93Å; K495-F497 HydrophobicContact CD-CZ 3.29Å; K495-F497 HydrophobicContact CG-CE1 4.32Å; K495-F497 HydrophobicContact CG-CZ 4.01Å
498	W	94.2	Very high	87.4	Confident	37 Å²	37	65.4 Å²	65.4	14%	0.14	34%	0.34	C	S	.	.			trans	-94.7	106.4	-168.3	-50.5	126.4	0	0	0	112	F424 L428 H433 F437 H488 V489 G492 Y493 G496	F424-W498 HydrophobicContact CE2-CG 4.38Å; F424-W498 AromaticContact CZ-CD2 3.85Å; F424-W498 HydrophobicContact CZ-CD2 3.85Å; F424-W498 AromaticContact CZ-CE2 3.99Å; F424-W498 HydrophobicContact CZ-CE3 4.26Å; F424-W498 HydrophobicContact CZ-CG 4.06Å; L428-W498 HydrophobicContact CD1-CB 4.07Å; L428-W498 HydrophobicContact CD1-CD2 4.05Å; L428-W498 HydrophobicContact CD1-CE3 3.46Å; L428-W498 VanDerWaalsContact CD1-CE3 3.46Å; L428-W498 HydrophobicContact CD1-CG 4.33Å; L428-W498 HydrophobicContact CD1-CZ3 4.18Å; L428-W498 HydrophobicContact CD2-CE3 4.22Å; L428-W498 HydrophobicContact CD2-CZ3 4.1Å; L428-W498 HydrophobicContact CG-CE3 4.36Å; H433-W498 HydrophobicContact CB-CE3 4.33Å; H433-W498 HydrophobicContact CB-CH2 3.54Å; H433-W498 HydrophobicContact CB-CZ2 4.47Å; H433-W498 HydrophobicContact CB-CZ3 3.45Å; H433-W498 VanDerWaalsContact CB-CZ3 3.45Å; F437-W498 HydrophobicContact CB-CH2 4.18Å; H488-W498 AromaticContact CE1-CH2 3.65Å; V489-W498 HydrophobicContact CB-CZ2 4.48Å; V489-W498 HydrophobicContact CG2-CZ2 4.35Å; V489-W498 PolarHBondContact O-NE1 3.44Å; G492-W498 VanDerWaalsContact CA-NE1 3.29Å; Y493-W498 AromaticContact CD1-CD1 3.46Å; Y493-W498 VanDerWaalsContact CD1-CD1 3.46Å; Y493-W498 HydrophobicContact CD1-CG 4.49Å; Y493-W498 AromaticContact CE1-CD1 3.67Å; Y493-W498 HydrophobicContact CE1-CG 4.48Å; G496-W498 VanDerWaalsContact C-N 3.33Å
499	E	90.6	Very high	86.8	Confident	106 Å²	106	68.2 Å²	68.2	50%	0.495	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-92.7	147.5	169.3	-69.2	179	-159	0	0	110.8	K429	K429-E499 HydrophobicContact CB-CB 3.98Å; K429-E499 WeakPolarHBondContact CB-O 3.37Å; K429-E499 HydrophobicContact CD-CB 4.07Å; K429-E499 WeakPolarHBondContact CD-OE2 3.15Å; K429-E499 WeakPolarHBondContact CE-OE2 3.47Å; K429-E499 PolarHBondContact N-O 3.23Å; K429-E499 IonicContact NZ-OE2 3.32Å; K429-E499 PolarHBondContact NZ-OE2 3.39Å
500	Q	85.2	Confident	86	Confident	120 Å²	120	72.7 Å²	72.7	56%	0.561	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-81.6	142.3	174.6	-66.4	-171.4	-1.6	0	0	111.2	F427	F427-Q500 CarbonylContact O-C 3.43Å; F427-Q500 VanDerWaalsContact O-CA 3.28Å; F427-Q500 WeakPolarHBondContact O-CA 3.39Å
501	S	79.1	Confident	85.3	Confident	17 Å²	17	73.9 Å²	73.9	12%	0.119	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-73.5	133.7	175.2	-179.5	0	0	0	0	111.1	F427 I503 C504	F427-S501 PolarHBondContact O-N 3.18Å; S501-I503 PolarHBondContact O-N 2.98Å; S501-I503 VanDerWaalsContact O-N 3.08Å; S501-I503 PolarHBondContact OG-N 3.28Å; S501-C504 PolarHBondContact O-N 2.68Å
502	D	66.4	Low	84.4	Confident	149 Å²	149	73.2 Å²	73.2	80%	0.797	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.3	178.6	-56.6	-46.1	0	0	0	113.4
503	I	59.9	Low	83.3	Confident	63 Å²	63	79.3 Å²	79.3	32%	0.323	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.4	-173.8	-53.2	173.7	0	0	0	111.6	S356 S501	S356-I503 VanDerWaalsContact CB-CG2 3.48Å; S356-I503 PolarHBondContact OG-O 3.45Å; S501-I503 PolarHBondContact O-N 2.98Å; S501-I503 VanDerWaalsContact O-N 3.08Å; S501-I503 PolarHBondContact OG-N 3.28Å
504	C	53.6	Low	82.3	Confident	57 Å²	57	82.5 Å²	82.5	39%	0.385	44%	0.442	S	S	.	.			trans	-87.9	0	-167	-73.9	0	0	0	0	116	K272 Y426 F427 S501	K272-C504 WeakPolarHBondContact CE-OXT 3.42Å; K272-C504 PolarHBondContact NZ-OXT 3.23Å; Y426-C504 HydrophobicContact CE1-CB 4Å; Y426-C504 WeakPolarHBondContact CE1-SG 3.48Å; Y426-C504 PolarHBondContact O-SG 3.08Å; Y426-C504 VanDerWaalsContact O-SG 3.38Å; Y426-C504 PolarHBondContact OH-OXT 3.47Å; F427-C504 HydrophobicContact CD1-CB 3.76Å; F427-C504 HydrophobicContact CE1-CB 4.09Å; S501-C504 PolarHBondContact O-N 2.68Å

Retrieved 504 of 504 residues in 103.3 ms (Link to these results)

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