A0A087YCE5_POEFO Loading...

Multiple inositol polyphosphate phosphatase 1

AlphaFold DB , UniProt , Accession A0A087YCE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	31.4	Very low	245 Å²	245	170.5 Å²	170.5	100%	1.207	87%	0.871	S	S	*	*				0	86.8	0	-82.7	168.2	69.7	0	0	107.6
2	T	28.9	Very low	31.4	Very low	139 Å²	139	166.2 Å²	166.2	85%	0.853	86%	0.859	S	S	*	*			trans	-109	114.4	-169.8	28.7	0	0	0	0	108.8
3	S	31.3	Very low	31.2	Very low	122 Å²	122	161.2 Å²	161.2	85%	0.853	86%	0.858	S	S	*	*			trans	-91.2	120.7	176.2	172.3	0	0	0	0	109.3
4	F	31.4	Very low	31.6	Very low	201 Å²	201	160.6 Å²	160.6	88%	0.882	85%	0.852	S	S	*	*			trans	-114.1	127.6	175.6	-120.9	-93.4	0	0	0	109.3
5	L	34.1	Very low	31.7	Very low	169 Å²	169	158.9 Å²	158.9	89%	0.885	85%	0.851	S	S	*	*			trans	-63.3	135.4	166.3	-87.5	99.4	0	0	0	109.9
6	C	29.2	Very low	31.6	Very low	124 Å²	124	153.4 Å²	153.4	84%	0.838	84%	0.844	S	S	*	*			trans	-138.2	130.8	161.1	-156.3	0	0	0	0	111.3
7	K	28.5	Very low	31.9	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.1	178.3	-70.4	169.8	172.5	177.1	0	110.3
8	I	32.5	Very low	31.9	Very low	150 Å²	150	147.7 Å²	147.7	77%	0.769	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.2	117	171.5	-66.9	173.3	0	0	0	108.7	F10	I8-F10 HydrophobicContact CG2-CE2 4.48Å
9	L	30.3	Very low	32.1	Very low	144 Å²	144	150.6 Å²	150.6	75%	0.754	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.5	123.4	167.8	-86	145.1	0	0	0	109.2
10	F	27.8	Very low	32.4	Very low	196 Å²	196	148 Å²	148	86%	0.86	82%	0.818	S	S	*	*			trans	-88.8	115.1	163.4	-87.1	-87.9	0	0	0	108.8	I8	I8-F10 HydrophobicContact CG2-CE2 4.48Å
11	F	30.1	Very low	32.7	Very low	186 Å²	186	148.3 Å²	148.3	82%	0.816	81%	0.811	S	S	*	*			trans	-95.3	132.8	166.4	-101.7	-87	0	0	0	110.1
12	T	31.7	Very low	32.5	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	80%	0.798	S	S	*	*			trans	-64.6	144.6	177.7	38.8	0	0	0	0	114.2
13	A	28.5	Very low	33	Very low	102 Å²	102	148.1 Å²	148.1	84%	0.843	79%	0.791	S	S	*	*			trans	-124.5	98.2	153.5	0	0	0	0	0	108.6
14	I	36.6	Very low	33.4	Very low	152 Å²	152	150.5 Å²	150.5	78%	0.779	80%	0.795	S	S	*	*			trans	-85.6	117.2	168.5	-64.2	173.8	0	0	0	106.3	G16	I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.13Å
15	T	33.3	Very low	33.6	Very low	135 Å²	135	143.7 Å²	143.7	83%	0.828	78%	0.775	S	S	*	*			trans	-68.7	103.6	172.8	48.6	0	0	0	0	109.2	S17	T15-S17 PolarHBondContact O-N 3.21Å
16	G	30.2	Very low	33.7	Very low	72 Å²	72	138.4 Å²	138.4	74%	0.742	75%	0.753	S	S	*	*			trans	-69.9	121.2	173.7	0	0	0	0	0	111.2	I14 S18	I14-G16 PolarHBondContact O-N 3.41Å; I14-G16 VanDerWaalsContact O-N 3.13Å; G16-S18 PolarHBondContact O-N 2.98Å
17	S	36.7	Very low	34.1	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	76%	0.756	S	S	*	*			trans	-63.4	120.4	162.1	56.8	0	0	0	0	108.6	T15 W19	T15-S17 PolarHBondContact O-N 3.21Å; S17-W19 PolarHBondContact O-N 3.36Å
18	S	32	Very low	35.1	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	76%	0.757	S	S	*	*			trans	-66.4	100	173.2	-165.5	0	0	0	0	109	G16 C20	G16-S18 PolarHBondContact O-N 2.98Å; S18-C20 PolarHBondContact O-N 3.01Å
19	W	36.5	Very low	36.5	Very low	204 Å²	204	137.7 Å²	137.7	77%	0.773	75%	0.749	S	S	*	*			trans	-77.9	106.1	165.2	-84.3	13.4	0	0	0	107.8	S17 F21	S17-W19 PolarHBondContact O-N 3.36Å; W19-F21 HydrophobicContact CB-CD2 4.22Å; W19-F21 HydrophobicContact CD2-CE2 4.36Å; W19-F21 HydrophobicContact CE3-CD2 4.17Å; W19-F21 AromaticContact CE3-CE2 3.89Å; W19-F21 HydrophobicContact CE3-CE2 3.89Å; W19-F21 HydrophobicContact CZ3-CE2 4.44Å; W19-F21 PolarHBondContact O-N 3.2Å
20	C	38.1	Very low	38.7	Very low	97 Å²	97	134.1 Å²	134.1	66%	0.655	73%	0.731	S	S	*	*			trans	-72.7	78.5	170.8	-69.4	0	0	0	0	110.5	S18	S18-C20 PolarHBondContact O-N 3.01Å
21	F	38.6	Very low	41.4	Very low	156 Å²	156	129.5 Å²	129.5	68%	0.684	72%	0.72	S	S	*	*			trans	-103	93.2	157.6	-76.6	-77.6	0	0	0	108.4	W19 N23	W19-F21 HydrophobicContact CB-CD2 4.22Å; W19-F21 HydrophobicContact CD2-CE2 4.36Å; W19-F21 HydrophobicContact CE3-CD2 4.17Å; W19-F21 AromaticContact CE3-CE2 3.89Å; W19-F21 HydrophobicContact CE3-CE2 3.89Å; W19-F21 HydrophobicContact CZ3-CE2 4.44Å; W19-F21 PolarHBondContact O-N 3.2Å; F21-N23 PolarHBondContact O-N 3.5Å
22	R	35.9	Very low	44.2	Very low	247 Å²	247	124.4 Å²	124.4	93%	0.932	70%	0.701	S	S	*	*			trans	-85	97.1	152.9	-84.9	-170.5	178.7	-163.4	1.4	107	D24	R22-D24 PolarHBondContact O-N 2.93Å
23	N	40.8	Very low	47.2	Very low	133 Å²	133	121 Å²	121	71%	0.711	68%	0.679	S	S	*	*			trans	-73.3	93.3	164.1	-94.1	-5.1	0	0	0	108.4	F21	F21-N23 PolarHBondContact O-N 3.5Å
24	D	38	Very low	50.3	Low	172 Å²	172	116.4 Å²	116.4	92%	0.92	64%	0.64	S	S	*	*			trans	-105	75	143.3	-90.8	-33.4	0	0	0	106	R22	R22-D24 PolarHBondContact O-N 2.93Å
25	A	37	Very low	53.1	Low	58 Å²	58	113.4 Å²	113.4	48%	0.479	63%	0.628	S	S	.	*			trans	-125.6	118	170.1	0	0	0	0	0	106.9
26	S	35.4	Very low	56.2	Low	58 Å²	58	107 Å²	107	41%	0.406	59%	0.589	S	S	.	*			trans	-58.1	145.3	163.5	73.7	0	0	0	0	107.7	E28 E29	S26-E28 PolarHBondContact O-N 3.48Å; S26-E29 PolarHBondContact O-N 3.25Å
27	P	37.8	Very low	59.3	Low	141 Å²	141	103.7 Å²	103.7	92%	0.916	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-2.4	-176.3	-22.3	32.2	0	0	0	115.5
28	E	49.5	Very low	62.1	Low	187 Å²	187	104 Å²	104	87%	0.874	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-9.9	-176.1	-65.1	-167.1	158.2	0	0	114.5	S26	S26-E28 PolarHBondContact O-N 3.48Å
29	E	61.1	Low	65.3	Low	129 Å²	129	99.4 Å²	99.4	60%	0.603	51%	0.511	S	S	*	.			trans	-93.6	115.2	-176.5	-75.5	-178.4	-172.3	0	0	112.2	S26 P31	S26-E29 PolarHBondContact O-N 3.25Å; E29-P31 WeakPolarHBondContact O-CD 3.5Å
30	N	77.6	Confident	68.2	Low	70 Å²	70	89.8 Å²	89.8	37%	0.374	47%	0.474	S	S	.	.			trans	-63	114.9	171.2	179.2	-13.1	0	0	0	109	N32 I33	N30-N32 PolarHBondContact O-N 3.39Å; N30-N32 WeakPolarHBondContact OD1-CB 3.11Å; N30-N32 PolarHBondContact OD1-N 2.94Å; N30-N32 VanDerWaalsContact OD1-N 3.08Å; N30-I33 HydrophobicContact CB-CD1 3.91Å; N30-I33 HydrophobicContact CB-CG1 4.01Å; N30-I33 PolarHBondContact O-N 3.26Å
31	P	84.2	Confident	71	Confident	99 Å²	99	85.1 Å²	85.1	64%	0.643	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	-172.5	26.4	-35.7	0	0	0	113.2	E29 I33 N279	E29-P31 WeakPolarHBondContact O-CD 3.5Å; P31-I33 VanDerWaalsContact C-N 3.34Å; P31-N279 VanDerWaalsContact O-CB 3.29Å; P31-N279 WeakPolarHBondContact O-CB 3.5Å; P31-N279 PolarHBondContact O-ND2 2.83Å; P31-N279 VanDerWaalsContact O-ND2 3.14Å
32	N	89.4	Confident	73.8	Confident	78 Å²	78	78.3 Å²	78.3	42%	0.417	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.8	177.7	-62.8	-47.7	0	0	0	113.9	N30 P34 F273 V278 N279	N30-N32 PolarHBondContact O-N 3.39Å; N30-N32 WeakPolarHBondContact OD1-CB 3.11Å; N30-N32 PolarHBondContact OD1-N 2.94Å; N30-N32 VanDerWaalsContact OD1-N 3.08Å; N32-P34 WeakPolarHBondContact O-CD 3.33Å; N32-F273 WeakPolarHBondContact O-CD2 3.3Å; N32-F273 WeakPolarHBondContact O-CE2 3.5Å; N32-V278 CarbonylContact O-C 3.47Å; N32-N279 PolarHBondContact O-N 2.65Å
33	I	93	Very high	76.7	Confident	49 Å²	49	67.2 Å²	67.2	25%	0.251	37%	0.373	S	S	.	.	S	Bend	trans	-96.4	114.9	176.6	-58.8	-179.4	0	0	0	108.7	N30 P31 A37 I54 F273	N30-I33 HydrophobicContact CB-CD1 3.91Å; N30-I33 HydrophobicContact CB-CG1 4.01Å; N30-I33 PolarHBondContact O-N 3.26Å; P31-I33 VanDerWaalsContact C-N 3.34Å; I33-A37 HydrophobicContact CG2-CB 3.79Å; I33-I54 HydrophobicContact CD1-CD1 4.29Å; I33-F273 HydrophobicContact CB-CE2 4.29Å; I33-F273 HydrophobicContact CB-CZ 4.32Å; I33-F273 HydrophobicContact CG1-CE2 4.1Å; I33-F273 HydrophobicContact CG1-CZ 4.15Å; I33-F273 HydrophobicContact CG2-CE2 4.38Å; I33-F273 HydrophobicContact CG2-CZ 3.96Å
34	P	95.3	Very high	79.4	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.026	34%	0.341	C	S	.	.			trans	-60.3	142.7	173.6	-21.3	31.2	0	0	0	111.3	N32 I36 A37 F40 F273 N279 C283	N32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-I36 HydrophobicContact CB-CG1 4.16Å; P34-I36 PolarHBondContact O-N 3.14Å; P34-A37 WeakPolarHBondContact O-CB 3.28Å; P34-A37 PolarHBondContact O-N 3.24Å; P34-F40 HydrophobicContact CB-CZ 4.38Å; P34-F40 HydrophobicContact CG-CZ 4.38Å; P34-F273 VanDerWaalsContact CD-CE2 3.4Å; P34-F273 HydrophobicContact CG-CB 4.17Å; P34-F273 HydrophobicContact CG-CD2 3.98Å; P34-F273 HydrophobicContact CG-CG 4.01Å; P34-N279 HydrophobicContact CG-CB 4.38Å; P34-C283 HydrophobicContact CB-CB 4.12Å; P34-C283 HydrophobicContact CG-CB 4.36Å
35	V	95.1	Very high	82.2	Confident	89 Å²	89	53.5 Å²	53.5	54%	0.539	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.6	174.6	-59.4	0	0	0	0	113
36	I	96.9	Very high	85.1	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.3	177.8	62.3	164.8	0	0	0	114.8	P34 K38 Y39 F40 F266 F286 D287	P34-I36 HydrophobicContact CB-CG1 4.16Å; P34-I36 PolarHBondContact O-N 3.14Å; I36-K38 VanDerWaalsContact C-N 3.26Å; I36-K38 PolarHBondContact O-N 3.44Å; I36-K38 VanDerWaalsContact O-N 3.17Å; I36-Y39 HydrophobicContact CB-CD2 4.2Å; I36-Y39 HydrophobicContact CG2-CD2 4.48Å; I36-Y39 WeakPolarHBondContact O-CB 3.39Å; I36-Y39 PolarHBondContact O-N 3.48Å; I36-F40 HydrophobicContact CD1-CE1 3.58Å; I36-F40 HydrophobicContact CD1-CZ 4.1Å; I36-F40 HydrophobicContact CG1-CE1 3.76Å; I36-F40 HydrophobicContact CG1-CZ 3.85Å; I36-F266 HydrophobicContact CD1-CD2 4.05Å; I36-F266 HydrophobicContact CD1-CE2 3.83Å; I36-F286 HydrophobicContact CD1-CB 3.79Å; I36-F286 HydrophobicContact CD1-CD2 4.21Å; I36-F286 HydrophobicContact CD1-CG 4.1Å; I36-F286 HydrophobicContact CG2-CB 4.26Å; I36-D287 WeakPolarHBondContact CG2-O 3.41Å
37	A	96.6	Very high	88	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-55.2	-38.3	-172.3	0	0	0	0	0	114.2	I33 P34 Y39 F40 F273	I33-A37 HydrophobicContact CG2-CB 3.79Å; P34-A37 WeakPolarHBondContact O-CB 3.28Å; P34-A37 PolarHBondContact O-N 3.24Å; A37-Y39 PolarHBondContact O-N 3.39Å; A37-F40 HydrophobicContact CB-CE2 4.26Å; A37-F40 VanDerWaalsContact O-CD2 3.28Å; A37-F40 WeakPolarHBondContact O-CD2 3.5Å; A37-F273 HydrophobicContact CB-CD1 4.31Å; A37-F273 HydrophobicContact CB-CE1 3.66Å; A37-F273 HydrophobicContact CB-CZ 4.03Å
38	K	95.8	Very high	90.7	Very high	101 Å²	101	44.2 Å²	44.2	44%	0.439	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-69.4	-8.9	178.2	59.8	179.4	163.7	167.1	0	114.7	I36 E288 S387	I36-K38 VanDerWaalsContact C-N 3.26Å; I36-K38 PolarHBondContact O-N 3.44Å; I36-K38 VanDerWaalsContact O-N 3.17Å; K38-E288 WeakPolarHBondContact CE-OE1 3.31Å; K38-E288 IonicContact NZ-OE1 2.7Å; K38-E288 PolarHBondContact NZ-OE1 3Å; K38-S387 VanDerWaalsContact O-CB 3.22Å; K38-S387 WeakPolarHBondContact O-CB 3.43Å; K38-S387 PolarHBondContact O-OG 2.73Å
39	Y	97.8	Very high	92.9	Very high	12 Å²	12	37 Å²	37	5%	0.047	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-107.1	2.1	-172.7	-60.6	-60.5	0	0	0	114.5	I36 A37 G41 F266 E288 G291 Q292 E295	I36-Y39 HydrophobicContact CB-CD2 4.2Å; I36-Y39 HydrophobicContact CG2-CD2 4.48Å; I36-Y39 WeakPolarHBondContact O-CB 3.39Å; I36-Y39 PolarHBondContact O-N 3.48Å; A37-Y39 PolarHBondContact O-N 3.39Å; Y39-G41 PolarHBondContact O-N 3.38Å; Y39-F266 WeakPolarHBondContact O-CZ 3.23Å; Y39-E288 HydrophobicContact CE2-CG 3.84Å; Y39-E288 PolarHBondContact OH-OE1 3.05Å; Y39-G291 WeakPolarHBondContact CB-O 3.2Å; Y39-Q292 HydrophobicContact CD1-CG 4.27Å; Y39-Q292 HydrophobicContact CE1-CG 3.59Å; Y39-Q292 HydrophobicContact CE2-CG 4.29Å; Y39-Q292 PolarHBondContact OH-NE2 3.38Å; Y39-E295 HydrophobicContact CD1-CB 4.1Å; Y39-E295 HydrophobicContact CD1-CG 4.37Å
40	F	98	Very high	94.5	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.167	C	C	.	.			trans	-68.9	9.9	-173.4	-67.3	-39.2	0	0	0	115.9	P34 I36 A37 T42 K43 F266 C269 A270 F273	P34-F40 HydrophobicContact CB-CZ 4.38Å; P34-F40 HydrophobicContact CG-CZ 4.38Å; I36-F40 HydrophobicContact CD1-CE1 3.58Å; I36-F40 HydrophobicContact CD1-CZ 4.1Å; I36-F40 HydrophobicContact CG1-CE1 3.76Å; I36-F40 HydrophobicContact CG1-CZ 3.85Å; A37-F40 HydrophobicContact CB-CE2 4.26Å; A37-F40 VanDerWaalsContact O-CD2 3.28Å; A37-F40 WeakPolarHBondContact O-CD2 3.5Å; F40-T42 PolarHBondContact O-N 3.14Å; F40-K43 HydrophobicContact CB-CB 4.45Å; F40-K43 WeakPolarHBondContact O-CB 3.32Å; F40-K43 PolarHBondContact O-N 3.45Å; F40-F266 HydrophobicContact CD1-CD1 4.41Å; F40-F266 AromaticContact CD1-CE1 3.74Å; F40-F266 HydrophobicContact CD1-CE1 3.74Å; F40-F266 HydrophobicContact CD1-CE2 4.05Å; F40-F266 AromaticContact CD1-CZ 3.54Å; F40-F266 HydrophobicContact CD1-CZ 3.54Å; F40-F266 HydrophobicContact CE1-CE2 4.21Å; F40-F266 HydrophobicContact CE1-CZ 4.16Å; F40-C269 HydrophobicContact CE1-CB 4.45Å; F40-C269 WeakPolarHBondContact CZ-SG 2.98Å; F40-A270 HydrophobicContact CB-CB 4.02Å; F40-A270 HydrophobicContact CD1-CB 3.44Å; F40-A270 VanDerWaalsContact CD1-CB 3.44Å; F40-A270 HydrophobicContact CD2-CB 4Å; F40-A270 HydrophobicContact CE1-CB 3.82Å; F40-A270 HydrophobicContact CE2-CB 4.32Å; F40-A270 HydrophobicContact CG-CB 3.57Å; F40-A270 HydrophobicContact CZ-CB 4.27Å; F40-F273 HydrophobicContact CD2-CD1 4.19Å; F40-F273 HydrophobicContact CE2-CB 4.16Å; F40-F273 AromaticContact CE2-CD1 3.69Å; F40-F273 HydrophobicContact CE2-CD1 3.69Å; F40-F273 HydrophobicContact CE2-CE1 4.47Å; F40-F273 HydrophobicContact CE2-CG 4.23Å
41	G	96.6	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	50.2	-133.7	-176.9	0	0	0	0	0	110.9	Y39 K43 G44 S387	Y39-G41 PolarHBondContact O-N 3.38Å; G41-K43 PolarHBondContact O-N 2.82Å; G41-G44 PolarHBondContact O-N 3.13Å; G41-S387 WeakPolarHBondContact O-CA 3.25Å
42	T	97.4	Very high	95.8	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.08	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-66.9	1.7	177.6	67.6	0	0	0	0	115.7	F40 R82 Q302 A352 L390	F40-T42 PolarHBondContact O-N 3.14Å; T42-R82 VanDerWaalsContact O-CZ 3.25Å; T42-R82 PolarHBondContact O-NH1 2.65Å; T42-R82 PolarHBondContact O-NH2 2.95Å; T42-Q302 HydrophobicContact CG2-CG 4.32Å; T42-A352 HydrophobicContact CG2-CB 4.46Å; T42-L390 WeakPolarHBondContact CA-O 3.45Å; T42-L390 HydrophobicContact CG2-CB 4.14Å; T42-L390 HydrophobicContact CG2-CD1 4.24Å
43	K	98.1	Very high	96.1	Very high	14 Å²	14	27 Å²	27	6%	0.061	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-105.1	2.7	179.1	-50.5	-57.6	171.4	-120.2	0	113.1	F40 G41 Y267 A270 Y271	F40-K43 HydrophobicContact CB-CB 4.45Å; F40-K43 WeakPolarHBondContact O-CB 3.32Å; F40-K43 PolarHBondContact O-N 3.45Å; G41-K43 PolarHBondContact O-N 2.82Å; K43-Y267 HydrophobicContact CG-CD1 4.19Å; K43-Y267 HydrophobicContact CG-CE1 3.93Å; K43-A270 HydrophobicContact CB-CB 4.03Å; K43-Y271 HydrophobicContact CD-CE1 4.34Å; K43-Y271 HydrophobicContact CD-CE2 4.48Å
44	G	96.9	Very high	96.1	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	-69.2	155.4	175.6	0	0	0	0	0	113.6	G41 Y392	G41-G44 PolarHBondContact O-N 3.13Å; G44-Y392 WeakPolarHBondContact O-CD2 3.43Å; G44-Y392 PolarHBondContact O-N 3.1Å
45	R	96.5	Very high	96.1	Very high	13 Å²	13	39.9 Å²	39.9	5%	0.049	19%	0.19	C	C	.	.			trans	-74.2	157	170	-60	-170.9	-58	169.7	7.4	110.6	E47 E48 F273 A274 T277 P391	R45-E47 VanDerWaalsContact C-N 3.27Å; R45-E47 WeakPolarHBondContact CB-OE2 3.17Å; R45-E47 PolarHBondContact O-N 2.82Å; R45-E48 HydrophobicContact CB-CG 4.23Å; R45-E48 IonicContact CZ-OE1 3.46Å; R45-E48 IonicContact NE-OE1 3.07Å; R45-E48 PolarHBondContact NE-OE1 3.08Å; R45-E48 IonicContact NH2-OE1 2.7Å; R45-E48 PolarHBondContact NH2-OE1 3.46Å; R45-E48 PolarHBondContact O-N 2.61Å; R45-F273 HydrophobicContact CG-CD1 4.33Å; R45-F273 HydrophobicContact CG-CE1 4.28Å; R45-F273 VanDerWaalsContact NE-CE1 3.27Å; R45-A274 HydrophobicContact CG-CB 3.99Å; R45-T277 PolarHBondContact NH1-OG1 2.8Å; R45-P391 WeakPolarHBondContact O-CB 3.34Å
46	Y	97.6	Very high	96.2	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.02	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-68.2	-28.7	178.2	-165.4	-101.1	0	0	0	112.5	E48 V49 N50 L53 P391 Y392 A393 N395 N415 E416	Y46-E48 PolarHBondContact O-N 2.83Å; Y46-V49 HydrophobicContact CD2-CG2 4.29Å; Y46-V49 HydrophobicContact CE2-CG2 4.4Å; Y46-V49 WeakPolarHBondContact O-CG2 3.42Å; Y46-V49 PolarHBondContact O-N 3.22Å; Y46-N50 HydrophobicContact CE1-CB 4.48Å; Y46-N50 VanDerWaalsContact CE1-ND2 3.29Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.18Å; Y46-N50 PolarHBondContact O-N 2.85Å; Y46-L53 HydrophobicContact CD1-CD1 3.75Å; Y46-L53 HydrophobicContact CE1-CD1 3.88Å; Y46-P391 HydrophobicContact CD2-CG 3.94Å; Y46-Y392 WeakPolarHBondContact CB-O 3.22Å; Y46-Y392 VanDerWaalsContact CD2-O 3.27Å; Y46-Y392 WeakPolarHBondContact CD2-O 3.32Å; Y46-A393 HydrophobicContact CD2-CB 4.27Å; Y46-A393 WeakPolarHBondContact CE2-O 3.46Å; Y46-N395 PolarHBondContact OH-ND2 3.48Å; Y46-N415 HydrophobicContact CE2-CB 4.03Å; Y46-N415 VanDerWaalsContact OH-CA 3.3Å; Y46-N415 WeakPolarHBondContact OH-CA 3.49Å; Y46-N415 PolarHBondContact OH-O 2.86Å; Y46-E416 WeakPolarHBondContact CE1-OE2 3.49Å; Y46-E416 WeakPolarHBondContact OH-CG 3.36Å; Y46-E416 PolarHBondContact OH-OE2 2.91Å
47	E	95.9	Very high	96.2	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.061	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65	-24.7	177.2	-65.1	85.3	167.6	0	0	113.1	R45 V49 N50 P51 L53 I54 I57 K136	R45-E47 VanDerWaalsContact C-N 3.27Å; R45-E47 WeakPolarHBondContact CB-OE2 3.17Å; R45-E47 PolarHBondContact O-N 2.82Å; E47-V49 PolarHBondContact O-N 2.88Å; E47-N50 CarbonylContact O-C 3.58Å; E47-N50 PolarHBondContact O-N 2.74Å; E47-P51 WeakPolarHBondContact O-CA 3.34Å; E47-P51 VanDerWaalsContact O-N 3.08Å; E47-L53 HydrophobicContact CG-CB 4.09Å; E47-I54 HydrophobicContact CB-CG1 3.91Å; E47-I54 HydrophobicContact CG-CG1 4.34Å; E47-I57 HydrophobicContact CG-CD1 4.34Å; E47-I57 WeakPolarHBondContact OE1-CD1 3.32Å; E47-K136 IonicContact OE1-NZ 3.61Å; E47-K136 PolarHBondContact OE1-NZ 2.72Å; E47-K136 IonicContact OE2-NZ 2.58Å
48	E	94.5	Very high	96.3	Very high	44 Å²	44	44 Å²	44	21%	0.206	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-71.8	-22.1	179.3	-50.9	-50.3	129.5	0	0	112.2	R45 Y46 F273	R45-E48 HydrophobicContact CB-CG 4.23Å; R45-E48 IonicContact CZ-OE1 3.46Å; R45-E48 IonicContact NE-OE1 3.07Å; R45-E48 PolarHBondContact NE-OE1 3.08Å; R45-E48 IonicContact NH2-OE1 2.7Å; R45-E48 PolarHBondContact NH2-OE1 3.46Å; R45-E48 PolarHBondContact O-N 2.61Å; Y46-E48 PolarHBondContact O-N 2.83Å; E48-F273 HydrophobicContact CG-CE1 4.3Å; E48-F273 WeakPolarHBondContact OE1-CE1 3.44Å; E48-F273 WeakPolarHBondContact OE1-CZ 3.32Å
49	V	95.7	Very high	96.4	Very high	35 Å²	35	40.2 Å²	40.2	21%	0.212	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-17.2	172.3	-55.2	0	0	0	0	112.6	Y46 E47 S387 P391 N415	Y46-V49 HydrophobicContact CD2-CG2 4.29Å; Y46-V49 HydrophobicContact CE2-CG2 4.4Å; Y46-V49 WeakPolarHBondContact O-CG2 3.42Å; Y46-V49 PolarHBondContact O-N 3.22Å; E47-V49 PolarHBondContact O-N 2.88Å; V49-S387 WeakPolarHBondContact CG1-O 3.35Å; V49-P391 HydrophobicContact CB-CG 4.44Å; V49-P391 HydrophobicContact CG1-CB 4.37Å; V49-P391 HydrophobicContact CG1-CG 3.84Å; V49-P391 HydrophobicContact CG2-CG 3.68Å; V49-N415 HydrophobicContact CG2-CB 4.15Å
50	N	96	Very high	96.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	S	Bend	trans	-131.2	72.2	176.6	-75.8	-70.4	0	0	0	110.5	Y46 E47 Y52 L53 N415 Q417	Y46-N50 HydrophobicContact CE1-CB 4.48Å; Y46-N50 VanDerWaalsContact CE1-ND2 3.29Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.18Å; Y46-N50 PolarHBondContact O-N 2.85Å; E47-N50 CarbonylContact O-C 3.58Å; E47-N50 PolarHBondContact O-N 2.74Å; N50-Y52 HydrophobicContact CB-CD1 4.36Å; N50-Y52 HydrophobicContact CB-CE1 3.68Å; N50-Y52 PolarHBondContact O-N 2.56Å; N50-Y52 VanDerWaalsContact O-N 3.08Å; N50-Y52 VanDerWaalsContact OD1-CE1 3.23Å; N50-Y52 WeakPolarHBondContact OD1-CE1 3.37Å; N50-Y52 PolarHBondContact OD1-OH 2.87Å; N50-L53 HydrophobicContact CB-CD1 3.56Å; N50-L53 HydrophobicContact CB-CG 3.85Å; N50-L53 VanDerWaalsContact O-CB 3.27Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 WeakPolarHBondContact O-CG 3.49Å; N50-L53 PolarHBondContact O-N 2.82Å; N50-N415 PolarHBondContact ND2-O 3.36Å; N50-Q417 PolarHBondContact OD1-NE2 3.32Å
51	P	94.3	Very high	95.9	Very high	79 Å²	79	46 Å²	46	51%	0.513	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-62	-24.6	-168.9	-26.6	36.2	0	0	0	115.1	E47 L53 I54	E47-P51 WeakPolarHBondContact O-CA 3.34Å; E47-P51 VanDerWaalsContact O-N 3.08Å; P51-L53 PolarHBondContact O-N 3.11Å; P51-I54 WeakPolarHBondContact O-CB 3.37Å; P51-I54 WeakPolarHBondContact O-CG1 3.32Å; P51-I54 PolarHBondContact O-N 2.99Å; P51-I54 VanDerWaalsContact O-N 3.12Å
52	Y	94.1	Very high	95.5	Very high	83 Å²	83	51.4 Å²	51.4	33%	0.325	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.5	-23	175.8	61.6	-90.8	0	0	0	112.7	N50 I54 R55 N56 A59 Q417	N50-Y52 HydrophobicContact CB-CD1 4.36Å; N50-Y52 HydrophobicContact CB-CE1 3.68Å; N50-Y52 PolarHBondContact O-N 2.56Å; N50-Y52 VanDerWaalsContact O-N 3.08Å; N50-Y52 VanDerWaalsContact OD1-CE1 3.23Å; N50-Y52 WeakPolarHBondContact OD1-CE1 3.37Å; N50-Y52 PolarHBondContact OD1-OH 2.87Å; Y52-I54 PolarHBondContact O-N 3.41Å; Y52-R55 PolarHBondContact O-N 3.22Å; Y52-N56 PolarHBondContact O-N 3.44Å; Y52-A59 HydrophobicContact CD2-CB 3.91Å; Y52-A59 HydrophobicContact CE2-CB 4.22Å; Y52-Q417 PolarHBondContact OH-NE2 2.88Å
53	L	96.3	Very high	95	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68.7	-19.9	177.1	-63.3	-178.3	0	0	0	113.4	Y46 E47 N50 P51 R55 N56 I57	Y46-L53 HydrophobicContact CD1-CD1 3.75Å; Y46-L53 HydrophobicContact CE1-CD1 3.88Å; E47-L53 HydrophobicContact CG-CB 4.09Å; N50-L53 HydrophobicContact CB-CD1 3.56Å; N50-L53 HydrophobicContact CB-CG 3.85Å; N50-L53 VanDerWaalsContact O-CB 3.27Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 WeakPolarHBondContact O-CG 3.49Å; N50-L53 PolarHBondContact O-N 2.82Å; P51-L53 PolarHBondContact O-N 3.11Å; L53-R55 PolarHBondContact O-N 2.85Å; L53-N56 WeakPolarHBondContact CA-O 3.33Å; L53-N56 CarbonylContact O-C 3.51Å; L53-I57 HydrophobicContact CB-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CA 3.06Å; L53-I57 PolarHBondContact O-N 3.36Å
54	I	93.5	Very high	94.5	Very high	85 Å²	85	55.7 Å²	55.7	44%	0.436	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-62.5	-36.2	174.2	-61.2	174.1	0	0	0	110.5	I33 E47 P51 Y52	I33-I54 HydrophobicContact CD1-CD1 4.29Å; E47-I54 HydrophobicContact CB-CG1 3.91Å; E47-I54 HydrophobicContact CG-CG1 4.34Å; P51-I54 WeakPolarHBondContact O-CB 3.37Å; P51-I54 WeakPolarHBondContact O-CG1 3.32Å; P51-I54 PolarHBondContact O-N 2.99Å; P51-I54 VanDerWaalsContact O-N 3.12Å; Y52-I54 PolarHBondContact O-N 3.41Å
55	R	94.2	Very high	94	Very high	238 Å²	238	55.9 Å²	55.9	90%	0.898	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-36.6	179.3	-63.5	-177.1	-176.9	174.3	0.9	112.2	Y52 L53	Y52-R55 PolarHBondContact O-N 3.22Å; L53-R55 PolarHBondContact O-N 2.85Å
56	N	97.2	Very high	93.5	Very high	87 Å²	87	62.1 Å²	62.1	47%	0.465	31%	0.311	S	S	.	.			trans	-145.9	98.6	178.7	179.4	-2.6	0	0	0	110.4	Y52 L53 L58 A59	Y52-N56 PolarHBondContact O-N 3.44Å; L53-N56 WeakPolarHBondContact CA-O 3.33Å; L53-N56 CarbonylContact O-C 3.51Å; N56-L58 PolarHBondContact O-N 3.04Å; N56-L58 VanDerWaalsContact O-N 3.07Å; N56-L58 PolarHBondContact OD1-N 3.5Å; N56-A59 HydrophobicContact CB-CB 3.92Å; N56-A59 VanDerWaalsContact O-CB 3.23Å; N56-A59 WeakPolarHBondContact O-CB 3.43Å; N56-A59 PolarHBondContact O-N 2.9Å; N56-A59 PolarHBondContact OD1-N 2.57Å
57	I	97.6	Very high	92.9	Very high	45 Å²	45	64.7 Å²	64.7	23%	0.231	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.9	-173.9	-163.7	55.6	0	0	0	114.2	E47 L53 H143 R147	E47-I57 HydrophobicContact CG-CD1 4.34Å; E47-I57 WeakPolarHBondContact OE1-CD1 3.32Å; L53-I57 HydrophobicContact CB-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CA 3.06Å; L53-I57 PolarHBondContact O-N 3.36Å; I57-H143 HydrophobicContact CG1-CB 4.21Å; I57-H143 VanDerWaalsContact CG1-ND1 3.3Å; I57-H143 WeakPolarHBondContact CG1-ND1 3.4Å; I57-R147 WeakPolarHBondContact O-CD 3.36Å; I57-R147 PolarHBondContact O-NH1 2.93Å
58	L	98	Very high	92.4	Very high	49 Å²	49	67.2 Å²	67.2	26%	0.257	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	12.1	178.3	-58.5	-175.8	0	0	0	113	N56 H143 V146 K150	N56-L58 PolarHBondContact O-N 3.04Å; N56-L58 VanDerWaalsContact O-N 3.07Å; N56-L58 PolarHBondContact OD1-N 3.5Å; L58-H143 HydrophobicContact CD2-CB 3.96Å; L58-V146 HydrophobicContact CB-CG1 4.41Å; L58-V146 HydrophobicContact CD1-CG1 3.95Å; L58-V146 HydrophobicContact CD2-CB 3.91Å; L58-V146 HydrophobicContact CD2-CG1 3.55Å; L58-V146 HydrophobicContact CG-CG1 4.18Å; L58-K150 PolarHBondContact O-NZ 3.15Å
59	A	97.3	Very high	91.9	Very high	21 Å²	21	66.5 Å²	66.5	17%	0.174	35%	0.346	C	S	.	.			trans	-67.1	140	177	0	0	0	0	0	111.1	Y52 N56 R147	Y52-A59 HydrophobicContact CD2-CB 3.91Å; Y52-A59 HydrophobicContact CE2-CB 4.22Å; N56-A59 HydrophobicContact CB-CB 3.92Å; N56-A59 VanDerWaalsContact O-CB 3.23Å; N56-A59 WeakPolarHBondContact O-CB 3.43Å; N56-A59 PolarHBondContact O-N 2.9Å; N56-A59 PolarHBondContact OD1-N 2.57Å; A59-R147 VanDerWaalsContact O-CD 3.29Å; A59-R147 WeakPolarHBondContact O-CD 3.18Å
60	V	96.1	Very high	91.5	Very high	48 Å²	48	70.6 Å²	70.6	29%	0.291	37%	0.373	S	S	.	.			trans	-134.1	146.3	172.8	-61.8	0	0	0	0	109.1	R147 K150 L151	V60-R147 HydrophobicContact CG1-CB 3.7Å; V60-R147 HydrophobicContact CG1-CG 3.93Å; V60-R147 WeakPolarHBondContact CG1-O 3.35Å; V60-K150 HydrophobicContact CG1-CB 4.01Å; V60-K150 HydrophobicContact CG2-CB 3.82Å; V60-L151 HydrophobicContact CG1-CB 4.49Å
61	N	90.4	Very high	91.2	Very high	86 Å²	86	76.3 Å²	76.3	46%	0.46	40%	0.4	S	S	.	.			trans	-113.3	87.2	175.8	-175	2.5	0	0	0	110.4	S63 S64	N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 2.89Å; N61-S63 PolarHBondContact OD1-N 2.66Å; N61-S63 PolarHBondContact OD1-OG 2.77Å; N61-S64 WeakPolarHBondContact O-CB 3.43Å; N61-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-OG 3.06Å
62	R	88.4	Confident	91.1	Very high	113 Å²	113	72.9 Å²	72.9	43%	0.426	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63.2	-30.3	179.2	-94.2	177.2	156.2	-123.7	-42.4	113.7	S64 L65 E74 K150 L151	R62-S64 PolarHBondContact O-N 2.84Å; R62-L65 WeakPolarHBondContact O-CB 3.45Å; R62-L65 PolarHBondContact O-N 3.25Å; R62-E74 IonicContact NH2-OE1 2.78Å; R62-K150 PolarHBondContact NE-O 2.85Å; R62-L151 HydrophobicContact CG-CD1 3.79Å; R62-L151 VanDerWaalsContact CZ-O 3.3Å; R62-L151 PolarHBondContact NE-O 3.46Å; R62-L151 PolarHBondContact NH2-O 3.29Å
63	S	87.4	Confident	91.1	Very high	93 Å²	93	75.9 Å²	75.9	65%	0.65	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15	179.5	65	0	0	0	0	112.8	N61 L65 Q66	N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 2.89Å; N61-S63 PolarHBondContact OD1-N 2.66Å; N61-S63 PolarHBondContact OD1-OG 2.77Å; S63-L65 VanDerWaalsContact C-N 3.28Å; S63-L65 PolarHBondContact O-N 3.28Å; S63-Q66 VanDerWaalsContact O-CG 3.24Å; S63-Q66 WeakPolarHBondContact O-CG 3.41Å
64	S	86.4	Confident	91	Very high	24 Å²	24	77 Å²	77	17%	0.168	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-67.3	-27.1	173.4	69.9	0	0	0	0	113.1	N61 R62 Q66 P418	N61-S64 WeakPolarHBondContact O-CB 3.43Å; N61-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-OG 3.06Å; R62-S64 PolarHBondContact O-N 2.84Å; S64-Q66 PolarHBondContact O-N 2.79Å; S64-P418 WeakPolarHBondContact O-CG 3.37Å
65	L	86.9	Confident	91.1	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.047	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-66	-23.9	-177.9	-62.4	177.8	0	0	0	113.4	R62 S63 P67 L151 F152 L413 P418	R62-L65 WeakPolarHBondContact O-CB 3.45Å; R62-L65 PolarHBondContact O-N 3.25Å; S63-L65 VanDerWaalsContact C-N 3.28Å; S63-L65 PolarHBondContact O-N 3.28Å; L65-P67 VanDerWaalsContact O-N 3.16Å; L65-L151 HydrophobicContact CD1-CD1 3.83Å; L65-L151 HydrophobicContact CD1-CG 4.2Å; L65-L151 HydrophobicContact CD2-CD1 4.36Å; L65-L151 HydrophobicContact CD2-CD2 4.49Å; L65-L151 HydrophobicContact CG-CD1 4.11Å; L65-F152 HydrophobicContact CD1-CD1 4.31Å; L65-F152 HydrophobicContact CD1-CE1 3.62Å; L65-F152 HydrophobicContact CD1-CZ 4.25Å; L65-F152 HydrophobicContact CD2-CE1 4.06Å; L65-F152 HydrophobicContact CD2-CZ 3.99Å; L65-L413 HydrophobicContact CD2-CD1 4.44Å; L65-L413 HydrophobicContact CD2-CD2 3.83Å; L65-P418 HydrophobicContact CD2-CG 4.49Å
66	Q	85.1	Confident	91.3	Very high	143 Å²	143	62.2 Å²	62.2	67%	0.668	33%	0.333	S	S	*	.			trans	37.8	56.8	176	-62.5	-173.5	-24.2	0	0	114.4	S63 S64	S63-Q66 VanDerWaalsContact O-CG 3.24Å; S63-Q66 WeakPolarHBondContact O-CG 3.41Å; S64-Q66 PolarHBondContact O-N 2.79Å
67	P	85.3	Confident	91.4	Very high	60 Å²	60	58.1 Å²	58.1	39%	0.39	31%	0.311	S	S	.	.			trans	-59.9	142.1	176.1	26.8	-33.9	0	0	0	109.7	L65 S69 C72 M431	L65-P67 VanDerWaalsContact O-N 3.16Å; P67-S69 PolarHBondContact O-N 3.12Å; P67-S69 VanDerWaalsContact O-N 3.09Å; P67-C72 HydrophobicContact CB-CB 3.93Å; P67-M431 HydrophobicContact CB-CE 4.11Å
68	P	85.3	Confident	91.4	Very high	66 Å²	66	56 Å²	56	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-65.7	-17.6	-174.2	23.9	-32.8	0	0	0	113.3
69	S	85.4	Confident	91.5	Very high	29 Å²	29	53.6 Å²	53.6	20%	0.203	29%	0.288	C	S	.	.	S	Bend	trans	-151.2	154.9	175.1	62	0	0	0	0	112.5	P67 Q71 C72	P67-S69 PolarHBondContact O-N 3.12Å; P67-S69 VanDerWaalsContact O-N 3.09Å; S69-Q71 PolarHBondContact O-N 2.63Å; S69-Q71 VanDerWaalsContact O-N 3.14Å; S69-Q71 WeakPolarHBondContact OG-CG 3.31Å; S69-C72 PolarHBondContact O-N 3.01Å; S69-C72 PolarHBondContact O-SG 3.11Å; S69-C72 VanDerWaalsContact O-SG 3.38Å; S69-C72 PolarHBondContact OG-SG 3.42Å
70	P	86.2	Confident	91.6	Very high	120 Å²	120	52.7 Å²	52.7	78%	0.779	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.2	177.3	-22.4	33.7	0	0	0	114.8	R73	P70-R73 PolarHBondContact O-NH1 3.47Å; P70-R73 PolarHBondContact O-NH2 3.42Å; P70-R73 VanDerWaalsContact O-NH2 3.17Å
71	Q	89.2	Confident	91.7	Very high	121 Å²	121	50.5 Å²	50.5	57%	0.565	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.2	178.6	65.4	-162.4	26.4	0	0	113.1	S69 R73 C403	S69-Q71 PolarHBondContact O-N 2.63Å; S69-Q71 VanDerWaalsContact O-N 3.14Å; S69-Q71 WeakPolarHBondContact OG-CG 3.31Å; Q71-R73 PolarHBondContact O-N 3.09Å; Q71-C403 WeakPolarHBondContact CG-O 3.37Å; Q71-C403 PolarHBondContact NE2-O 3.16Å
72	C	93.1	Very high	92.1	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.054	25%	0.245	C	C	.	.			trans	-60.2	129	176.1	-61.4	0	0	0	0	111.6	P67 S69 F401 D402 C403	P67-C72 HydrophobicContact CB-CB 3.93Å; S69-C72 PolarHBondContact O-N 3.01Å; S69-C72 PolarHBondContact O-SG 3.11Å; S69-C72 VanDerWaalsContact O-SG 3.38Å; S69-C72 PolarHBondContact OG-SG 3.42Å; C72-F401 HydrophobicContact CB-CB 4.44Å; C72-F401 HydrophobicContact CB-CD1 4.1Å; C72-D402 CarbonylContact C-O 3.59Å; C72-D402 VanDerWaalsContact CA-O 3.24Å; C72-D402 WeakPolarHBondContact CA-O 3.25Å; C72-C403 HydrophobicContact CB-CB 4.18Å; C72-C403 WeakPolarHBondContact CB-SG 3.48Å; C72-C403 WeakPolarHBondContact SG-CB 3.26Å; C72-C403 CovalentContact SG-SG 2.04Å; C72-C403 PolarHBondContact SG-SG 3.2Å
73	R	93.5	Very high	92.6	Very high	145 Å²	145	41.3 Å²	41.3	55%	0.547	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.6	178.4	-62.5	-65.3	173.1	-99.1	-3	110.7	P70 Q71 I75 F401 D402	P70-R73 PolarHBondContact O-NH1 3.47Å; P70-R73 PolarHBondContact O-NH2 3.42Å; P70-R73 VanDerWaalsContact O-NH2 3.17Å; Q71-R73 PolarHBondContact O-N 3.09Å; R73-I75 PolarHBondContact O-N 3.38Å; R73-F401 CarbonylContact O-C 3.47Å; R73-F401 VanDerWaalsContact O-CA 3.24Å; R73-F401 WeakPolarHBondContact O-CA 3.41Å; R73-D402 PolarHBondContact N-O 3.21Å; R73-D402 PolarHBondContact O-N 3.32Å
74	E	95.3	Very high	93.1	Very high	26 Å²	26	36.9 Å²	36.9	12%	0.121	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.2	176.2	-55.4	83.9	167.9	0	0	110.6	R62 F152 T154 I155 V399 L400 F401	R62-E74 IonicContact NH2-OE1 2.78Å; E74-F152 HydrophobicContact CG-CD1 3.97Å; E74-T154 VanDerWaalsContact CD-OG1 3.32Å; E74-T154 PolarHBondContact OE2-OG1 3.46Å; E74-I155 HydrophobicContact CB-CB 4.23Å; E74-I155 HydrophobicContact CB-CD1 4.17Å; E74-I155 HydrophobicContact CB-CG2 4.38Å; E74-V399 HydrophobicContact CB-CG1 4.23Å; E74-V399 HydrophobicContact CG-CG1 3.9Å; E74-L400 WeakPolarHBondContact CA-O 3.22Å; E74-F401 HydrophobicContact CG-CD1 4.16Å; E74-F401 HydrophobicContact CG-CE1 3.54Å; E74-F401 HydrophobicContact CG-CZ 3.83Å
75	I	95.6	Very high	93.7	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-33.2	177.9	62.4	172.6	0	0	0	112.7	R73 I155 V332 H335 L400 D402 I408	R73-I75 PolarHBondContact O-N 3.38Å; I75-I155 VanDerWaalsContact C-CD1 3.5Å; I75-V332 HydrophobicContact CD1-CG2 4.45Å; I75-H335 HydrophobicContact CD1-CB 4.41Å; I75-L400 HydrophobicContact CD1-CB 3.95Å; I75-L400 HydrophobicContact CG1-CB 3.48Å; I75-L400 VanDerWaalsContact CG1-CB 3.48Å; I75-L400 PolarHBondContact N-O 2.93Å; I75-D402 HydrophobicContact CG2-CB 3.82Å; I75-I408 HydrophobicContact CD1-CD1 4.24Å
76	H	98.2	Very high	94.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	146.4	178.9	175.5	86.3	0	0	0	111.1	T78 I155 A331 E343 A344 L400	H76-T78 PolarHBondContact NE2-OG1 2.95Å; H76-I155 VanDerWaalsContact CA-CD1 3.4Å; H76-I155 VanDerWaalsContact N-CD1 3.34Å; H76-A331 HydrophobicContact CB-CB 3.51Å; H76-E343 PolarHBondContact CE1-O 2.57Å; H76-E343 PolarHBondContact ND1-O 3.26Å; H76-A344 CarbonylContact C-O 3.6Å; H76-A344 WeakPolarHBondContact CA-O 3.43Å; H76-L400 HydrophobicContact CB-CB 4.27Å; H76-L400 HydrophobicContact CB-CD1 4.07Å; H76-L400 PolarHBondContact O-N 3.01Å
77	L	98.6	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.5	175.9	-174.9	151.5	0	0	0	110.7	A79 F152 I155 I156 A344 V345 T346 V397 L398 V399	L77-A79 HydrophobicContact CD2-CB 3.99Å; L77-F152 HydrophobicContact CD1-CB 4.23Å; L77-F152 HydrophobicContact CD1-CD2 3.42Å; L77-F152 VanDerWaalsContact CD1-CD2 3.42Å; L77-F152 HydrophobicContact CD1-CE2 3.84Å; L77-F152 HydrophobicContact CD1-CG 3.85Å; L77-I155 HydrophobicContact CB-CD1 4.18Å; L77-I155 HydrophobicContact CB-CG2 4.17Å; L77-I155 HydrophobicContact CD1-CG2 4.16Å; L77-I156 HydrophobicContact CD1-CD1 4.1Å; L77-I156 HydrophobicContact CD2-CD1 4.36Å; L77-A344 PolarHBondContact N-O 3.26Å; L77-V345 HydrophobicContact CB-CG2 4.41Å; L77-V345 HydrophobicContact CD2-CG1 3.88Å; L77-V345 CarbonylContact O-C 3.51Å; L77-V345 VanDerWaalsContact O-CA 3.25Å; L77-V345 WeakPolarHBondContact O-CA 3.36Å; L77-T346 PolarHBondContact O-N 2.89Å; L77-V397 HydrophobicContact CD1-CG1 3.91Å; L77-V397 HydrophobicContact CD2-CG1 3.98Å; L77-V397 HydrophobicContact CG-CG1 3.83Å; L77-L398 WeakPolarHBondContact CA-O 3.3Å; L77-V399 HydrophobicContact CD1-CG2 3.78Å; L77-V399 HydrophobicContact CG-CG2 4.04Å
78	T	98.7	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.4	166.7	-72.2	0	0	0	0	109.8	H76 I80 V324 T346 V397 L398	H76-T78 PolarHBondContact NE2-OG1 2.95Å; T78-I80 HydrophobicContact CG2-CD1 3.93Å; T78-I80 HydrophobicContact CG2-CG1 4.28Å; T78-V324 HydrophobicContact CG2-CG2 4.27Å; T78-T346 CarbonylContact C-O 3.16Å; T78-T346 WeakPolarHBondContact CA-O 3.42Å; T78-V397 CarbonylContact O-C 3.56Å; T78-V397 WeakPolarHBondContact O-CA 3.02Å; T78-L398 PolarHBondContact N-O 3.38Å; T78-L398 PolarHBondContact O-N 3.04Å
79	A	98.9	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.5	176.2	0	0	0	0	0	110.4	L77 I81 L148 T346 Q348 V397	L77-A79 HydrophobicContact CD2-CB 3.99Å; A79-I81 HydrophobicContact CB-CD1 4.11Å; A79-I81 HydrophobicContact CB-CG1 4.14Å; A79-L148 HydrophobicContact CB-CD1 4.45Å; A79-T346 PolarHBondContact N-O 3.11Å; A79-Q348 PolarHBondContact O-N 3.41Å; A79-V397 HydrophobicContact CB-CG2 4.09Å
80	I	98.9	Very high	96.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.2	171.8	-54.4	107.4	0	0	0	108.4	T78 L320 V324 Q348 L355 L358 N395 L396	T78-I80 HydrophobicContact CG2-CD1 3.93Å; T78-I80 HydrophobicContact CG2-CG1 4.28Å; I80-L320 HydrophobicContact CG2-CD2 4.32Å; I80-V324 HydrophobicContact CD1-CG2 3.9Å; I80-Q348 CarbonylContact C-O 3.51Å; I80-Q348 WeakPolarHBondContact CA-O 3.33Å; I80-L355 HydrophobicContact CB-CD1 4.47Å; I80-L355 HydrophobicContact CG2-CD1 4.22Å; I80-L358 HydrophobicContact CD1-CD2 3.96Å; I80-L358 HydrophobicContact CG1-CD2 4.39Å; I80-N395 CarbonylContact O-C 3.52Å; I80-N395 VanDerWaalsContact O-CA 3.26Å; I80-N395 WeakPolarHBondContact O-CA 3.4Å; I80-L396 HydrophobicContact CD1-CD2 4.22Å; I80-L396 HydrophobicContact CD1-CG 4.43Å; I80-L396 PolarHBondContact N-O 2.98Å; I80-L396 PolarHBondContact O-N 3.1Å
81	I	98.9	Very high	97.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132	-165.8	-54.6	176.5	0	0	0	109.9	A79 L141 L144 F183 V347 Q348 V349 G350 N395	A79-I81 HydrophobicContact CB-CD1 4.11Å; A79-I81 HydrophobicContact CB-CG1 4.14Å; I81-L141 HydrophobicContact CG2-CD1 3.7Å; I81-L144 HydrophobicContact CD1-CD2 3.94Å; I81-L144 HydrophobicContact CG1-CD2 4.37Å; I81-L144 HydrophobicContact CG2-CD2 3.82Å; I81-F183 HydrophobicContact CD1-CD2 3.95Å; I81-F183 HydrophobicContact CD1-CE2 3.68Å; I81-V347 HydrophobicContact CD1-CG1 3.81Å; I81-Q348 PolarHBondContact N-O 2.91Å; I81-V349 HydrophobicContact CB-CG2 4.42Å; I81-V349 CarbonylContact O-C 3.57Å; I81-V349 VanDerWaalsContact O-CA 3.29Å; I81-V349 WeakPolarHBondContact O-CA 3.39Å; I81-G350 PolarHBondContact O-N 3.09Å; I81-N395 HydrophobicContact CG1-CB 4.07Å
82	R	98.9	Very high	97.7	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.011	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.2	166.3	179.7	-176.4	175.9	-157.5	0.1	109.7	T42 L390 P391 A393 A394	T42-R82 VanDerWaalsContact O-CZ 3.25Å; T42-R82 PolarHBondContact O-NH1 2.65Å; T42-R82 PolarHBondContact O-NH2 2.95Å; R82-L390 PolarHBondContact NH1-O 2.93Å; R82-P391 WeakPolarHBondContact CD-O 2.97Å; R82-P391 PolarHBondContact NH1-O 3.16Å; R82-A393 WeakPolarHBondContact O-CA 3.23Å; R82-A394 HydrophobicContact CB-CB 4.28Å; R82-A394 WeakPolarHBondContact CB-O 3.13Å; R82-A394 PolarHBondContact N-O 3.38Å
83	H	98.9	Very high	98	Very high	3 Å²	3	24 Å²	24	1%	0.014	11%	0.106	C	C	.	.			trans	-49.1	156.5	171.1	69.5	72.6	0	0	0	113.9	R86 R175 S179 G350 H351 Y392 A393	H83-R86 PolarHBondContact CE1-NE 3.21Å; H83-R175 HydrophobicContact CB-CG 4.43Å; H83-S179 WeakPolarHBondContact CA-OG 2.93Å; H83-S179 WeakPolarHBondContact CB-OG 3.29Å; H83-G350 PolarHBondContact N-O 2.98Å; H83-H351 AromaticContact CD2-ND1 3.58Å; H83-Y392 AromaticContact CE1-CE1 3.93Å; H83-A393 PolarHBondContact O-N 2.89Å; H83-A393 VanDerWaalsContact O-N 3.15Å
84	G	98.8	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.			trans	-73.7	-175.5	-179.7	0	0	0	0	0	113.6	R86 L141 S179 Y392	G84-R86 PolarHBondContact O-N 2.93Å; G84-L141 VanDerWaalsContact N-CD2 3.26Å; G84-S179 PolarHBondContact N-OG 2.97Å; G84-Y392 WeakPolarHBondContact O-CD1 3.21Å
85	T	98.8	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.			trans	-54.8	137.2	177.8	-57.9	0	0	0	0	111.7	L133 V134 K136 G137 D140 A274 I275 Y392	T85-L133 VanDerWaalsContact O-CD1 3.31Å; T85-L133 WeakPolarHBondContact O-CD1 3.32Å; T85-V134 HydrophobicContact CG2-CG2 3.7Å; T85-V134 WeakPolarHBondContact O-CG2 3.4Å; T85-V134 PolarHBondContact O-N 2.94Å; T85-V134 VanDerWaalsContact O-N 3.1Å; T85-K136 HydrophobicContact CG2-CB 4.49Å; T85-K136 HydrophobicContact CG2-CG 4.34Å; T85-G137 VanDerWaalsContact N-CA 3.31Å; T85-G137 WeakPolarHBondContact O-CA 3.33Å; T85-D140 VanDerWaalsContact CB-OD2 3.27Å; T85-D140 WeakPolarHBondContact CB-OD2 3.37Å; T85-D140 PolarHBondContact N-OD2 2.03Å; T85-D140 PolarHBondContact OG1-OD2 2.92Å; T85-A274 HydrophobicContact CG2-CB 4.02Å; T85-I275 HydrophobicContact CG2-CG1 4.07Å; T85-Y392 HydrophobicContact CG2-CD2 3.97Å; T85-Y392 HydrophobicContact CG2-CE2 4.05Å; T85-Y392 WeakPolarHBondContact OG1-CD2 3.46Å
86	R	98.5	Very high	98.5	Very high	18 Å²	18	21.3 Å²	21.3	7%	0.068	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-141	163.5	-175.5	59.1	162.2	-178.8	73.4	-3.5	112	H83 G84 G131 R132 Y271 Y392	H83-R86 PolarHBondContact CE1-NE 3.21Å; G84-R86 PolarHBondContact O-N 2.93Å; R86-G131 WeakPolarHBondContact CD-O 3.42Å; R86-R132 WeakPolarHBondContact CA-O 2.89Å; R86-R132 VanDerWaalsContact CB-O 3.29Å; R86-R132 WeakPolarHBondContact CB-O 3.38Å; R86-Y271 PolarHBondContact NH1-OH 2.93Å; R86-Y271 VanDerWaalsContact NH1-OH 3.15Å; R86-Y392 HydrophobicContact CG-CE1 3.74Å
87	Y	98.6	Very high	98.5	Very high	56 Å²	56	23.5 Å²	23.5	22%	0.22	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-61.5	163.2	167.5	-70.4	-58.2	0	0	0	112	W124 Y125 M129 G131 R132 V134 I275	Y87-W124 HydrophobicContact CD1-CH2 4.29Å; Y87-W124 HydrophobicContact CD1-CZ3 4.27Å; Y87-W124 AromaticContact CE1-CH2 3.72Å; Y87-W124 HydrophobicContact CE1-CH2 3.72Å; Y87-W124 AromaticContact CE1-CZ3 3.54Å; Y87-W124 HydrophobicContact CE1-CZ3 3.54Å; Y87-Y125 HydrophobicContact CD1-CD1 4.37Å; Y87-Y125 HydrophobicContact CD1-CE1 4.11Å; Y87-M129 HydrophobicContact CD1-SD 3.72Å; Y87-M129 HydrophobicContact CD2-CB 3.99Å; Y87-M129 HydrophobicContact CD2-CG 4.19Å; Y87-M129 HydrophobicContact CD2-SD 4.3Å; Y87-M129 HydrophobicContact CE1-SD 4Å; Y87-M129 HydrophobicContact CG-CB 3.89Å; Y87-M129 HydrophobicContact CG-CG 4.21Å; Y87-M129 HydrophobicContact CG-SD 3.91Å; Y87-G131 WeakPolarHBondContact O-CA 3.37Å; Y87-R132 HydrophobicContact CD2-CB 4.19Å; Y87-R132 PolarHBondContact N-O 3.38Å; Y87-V134 HydrophobicContact CD1-CG1 3.66Å; Y87-V134 HydrophobicContact CD2-CG1 3.63Å; Y87-V134 HydrophobicContact CE1-CG1 3.54Å; Y87-V134 HydrophobicContact CE2-CG1 3.58Å; Y87-V134 HydrophobicContact CG-CG1 3.68Å; Y87-I275 HydrophobicContact CD1-CD1 3.76Å; Y87-I275 HydrophobicContact CE1-CD1 4.15Å; Y87-I275 HydrophobicContact CE1-CG2 4.45Å
88	P	98.2	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-60.4	155.5	168.7	-14.4	26	0	0	0	112.1	N92 V93 M96 Y125 G131 Y271	P88-N92 HydrophobicContact CB-CB 4.13Å; P88-V93 HydrophobicContact CB-CG2 3.88Å; P88-V93 HydrophobicContact CG-CG2 4.4Å; P88-M96 HydrophobicContact CB-CE 3.78Å; P88-M96 HydrophobicContact CG-CE 3.8Å; P88-M96 HydrophobicContact CG-SD 4.21Å; P88-Y125 HydrophobicContact CG-CD1 3.78Å; P88-Y125 HydrophobicContact CG-CE1 3.8Å; P88-Y125 HydrophobicContact CG-CG 4.22Å; P88-G131 PolarHBondContact O-N 3.47Å; P88-Y271 HydrophobicContact CB-CD2 4.11Å; P88-Y271 HydrophobicContact CB-CE1 4.19Å; P88-Y271 HydrophobicContact CB-CE2 3.75Å; P88-Y271 HydrophobicContact CG-CD1 3.93Å; P88-Y271 HydrophobicContact CG-CD2 3.66Å; P88-Y271 HydrophobicContact CG-CE1 4.06Å; P88-Y271 HydrophobicContact CG-CE2 3.84Å; P88-Y271 HydrophobicContact CG-CG 3.73Å
89	T	97.9	Very high	98.5	Very high	34 Å²	34	30.1 Å²	30.1	21%	0.209	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-75.7	159.3	170.6	55.7	0	0	0	0	110.2	K91 N92 V93 D130	T89-K91 PolarHBondContact O-N 3.32Å; T89-K91 VanDerWaalsContact O-N 3.16Å; T89-N92 PolarHBondContact O-N 2.03Å; T89-V93 WeakPolarHBondContact O-CG2 3.24Å; T89-V93 PolarHBondContact O-N 2.87Å; T89-D130 WeakPolarHBondContact CA-OD1 3.38Å
90	T	98	Very high	98.5	Very high	34 Å²	34	32.1 Å²	32.1	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-51.6	-42	177.6	-56	0	0	0	0	112.4	N92 V93 K94 E127 D130	T90-N92 VanDerWaalsContact C-N 3.32Å; T90-N92 PolarHBondContact O-N 2.91Å; T90-V93 PolarHBondContact O-N 3.17Å; T90-K94 HydrophobicContact CG2-CD 4.46Å; T90-K94 WeakPolarHBondContact O-CG 3.38Å; T90-K94 PolarHBondContact O-N 2.85Å; T90-E127 HydrophobicContact CG2-CB 3.92Å; T90-E127 HydrophobicContact CG2-CG 4.01Å; T90-E127 WeakPolarHBondContact CG2-OE2 3.25Å; T90-E127 PolarHBondContact OG1-O 2.93Å; T90-D130 PolarHBondContact N-OD1 2.74Å; T90-D130 WeakPolarHBondContact OG1-CB 3.2Å; T90-D130 VanDerWaalsContact OG1-CG 3.27Å; T90-D130 PolarHBondContact OG1-OD1 3.46Å
91	K	97.3	Very high	98.4	Very high	148 Å²	148	38.9 Å²	38.9	64%	0.643	17%	0.174	S	C	*	.	H	α-helix	trans	-57.1	-43.7	176.3	-177.9	176.7	178.9	175	0	112.1	T89 K95	T89-K91 PolarHBondContact O-N 3.32Å; T89-K91 VanDerWaalsContact O-N 3.16Å; K91-K95 PolarHBondContact O-N 2.62Å
92	N	98	Very high	98.4	Very high	19 Å²	19	40 Å²	40	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-74.5	-39.5	-179.5	-72.4	9.2	0	0	0	111.4	P88 T89 T90 K94 K95 M96 Y267	P88-N92 HydrophobicContact CB-CB 4.13Å; T89-N92 PolarHBondContact O-N 2.03Å; T90-N92 VanDerWaalsContact C-N 3.32Å; T90-N92 PolarHBondContact O-N 2.91Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 3.45Å; N92-K95 PolarHBondContact O-N 3.21Å; N92-K95 VanDerWaalsContact O-N 3.14Å; N92-M96 HydrophobicContact CB-CE 4.03Å; N92-M96 WeakPolarHBondContact O-CG 3.14Å; N92-M96 PolarHBondContact O-N 3.21Å; N92-Y267 WeakPolarHBondContact ND2-CD2 3.1Å; N92-Y267 VanDerWaalsContact ND2-CE2 3.32Å; N92-Y267 WeakPolarHBondContact ND2-CE2 3.37Å
93	V	98.6	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-45.1	174.9	175.3	0	0	0	0	110.7	P88 T89 T90 K95 M96 Q97 Y125 E127	P88-V93 HydrophobicContact CB-CG2 3.88Å; P88-V93 HydrophobicContact CG-CG2 4.4Å; T89-V93 WeakPolarHBondContact O-CG2 3.24Å; T89-V93 PolarHBondContact O-N 2.87Å; T90-V93 PolarHBondContact O-N 3.17Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.18Å; V93-M96 PolarHBondContact O-N 2.92Å; V93-Q97 HydrophobicContact CG1-CG 4.18Å; V93-Q97 WeakPolarHBondContact O-CB 3.45Å; V93-Q97 WeakPolarHBondContact O-CG 3.19Å; V93-Q97 PolarHBondContact O-N 2.75Å; V93-Y125 WeakPolarHBondContact CG1-O 3.15Å; V93-E127 HydrophobicContact CG1-CG 4.25Å
94	K	98.4	Very high	98.3	Very high	97 Å²	97	43 Å²	43	42%	0.422	19%	0.194	S	C	.	.	H	α-helix	trans	-58.1	-42.5	176.5	-73.1	179.4	-179.4	179.6	0	113	T90 N92 Q97 K98 E127	T90-K94 HydrophobicContact CG2-CD 4.46Å; T90-K94 WeakPolarHBondContact O-CG 3.38Å; T90-K94 PolarHBondContact O-N 2.85Å; N92-K94 VanDerWaalsContact C-N 3.29Å; N92-K94 PolarHBondContact O-N 3.45Å; K94-Q97 PolarHBondContact O-N 3.17Å; K94-K98 WeakPolarHBondContact O-CG 3.17Å; K94-K98 PolarHBondContact O-N 3.3Å; K94-K98 VanDerWaalsContact O-N 3.15Å; K94-E127 WeakPolarHBondContact CE-OE1 3.33Å; K94-E127 WeakPolarHBondContact CE-OE2 3.1Å; K94-E127 HydrophobicContact CG-CG 4.48Å; K94-E127 IonicContact NZ-OE2 3.64Å; K94-E127 PolarHBondContact NZ-OE2 3.14Å
95	K	98.3	Very high	98.3	Very high	31 Å²	31	46.3 Å²	46.3	14%	0.135	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-46	175.9	-69.9	-175.3	175.2	-165.5	0	111.4	K91 N92 V93 Q97 K98 L99 D260 E263 A264	K91-K95 PolarHBondContact O-N 2.62Å; N92-K95 PolarHBondContact O-N 3.21Å; N92-K95 VanDerWaalsContact O-N 3.14Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.18Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.31Å; K95-K98 WeakPolarHBondContact O-CB 3.21Å; K95-K98 PolarHBondContact O-N 2.96Å; K95-L99 PolarHBondContact O-N 3.3Å; K95-L99 VanDerWaalsContact O-N 3.1Å; K95-D260 WeakPolarHBondContact CE-OD1 3.38Å; K95-D260 VanDerWaalsContact CE-OD2 3.3Å; K95-D260 WeakPolarHBondContact CE-OD2 3.27Å; K95-D260 VanDerWaalsContact NZ-CG 3.29Å; K95-D260 IonicContact NZ-OD1 2.75Å; K95-D260 PolarHBondContact NZ-OD1 2.79Å; K95-D260 IonicContact NZ-OD2 3.26Å; K95-D260 PolarHBondContact NZ-OD2 2.87Å; K95-E263 IonicContact NZ-OE2 2.99Å; K95-E263 PolarHBondContact NZ-OE2 3.49Å; K95-A264 HydrophobicContact CB-CB 4.09Å
96	M	98.7	Very high	98.2	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-40.5	176.5	-63.4	177.3	-158.4	0	0	112.1	P88 N92 V93 K98 L99 Y100 M123 Y125 A264 L268 Y271	P88-M96 HydrophobicContact CB-CE 3.78Å; P88-M96 HydrophobicContact CG-CE 3.8Å; P88-M96 HydrophobicContact CG-SD 4.21Å; N92-M96 HydrophobicContact CB-CE 4.03Å; N92-M96 WeakPolarHBondContact O-CG 3.14Å; N92-M96 PolarHBondContact O-N 3.21Å; V93-M96 PolarHBondContact O-N 2.92Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.93Å; M96-L99 PolarHBondContact O-N 3.41Å; M96-Y100 WeakPolarHBondContact O-CB 3.36Å; M96-Y100 PolarHBondContact O-N 2.81Å; M96-M123 HydrophobicContact CB-CE 3.6Å; M96-M123 WeakPolarHBondContact O-CE 3.32Å; M96-Y125 HydrophobicContact SD-CD2 4.25Å; M96-A264 HydrophobicContact CG-CB 4.37Å; M96-L268 HydrophobicContact CB-CD1 4.27Å; M96-L268 HydrophobicContact CB-CD2 4.06Å; M96-L268 HydrophobicContact CB-CG 4.1Å; M96-L268 HydrophobicContact CG-CD1 4.42Å; M96-L268 HydrophobicContact CG-CD2 4.03Å; M96-L268 HydrophobicContact CG-CG 3.83Å; M96-L268 HydrophobicContact SD-CD2 3.6Å; M96-L268 VanDerWaalsContact SD-CD2 3.6Å; M96-L268 HydrophobicContact SD-CG 3.88Å; M96-Y271 HydrophobicContact CE-CD2 3.59Å; M96-Y271 HydrophobicContact CE-CE2 3.71Å
97	Q	98.6	Very high	98	Very high	46 Å²	46	47.7 Å²	47.7	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-37.1	179.1	-75.8	175.3	-10.1	0	0	111.7	V93 K94 K95 Y100 K101 M123 Y125	V93-Q97 HydrophobicContact CG1-CG 4.18Å; V93-Q97 WeakPolarHBondContact O-CB 3.45Å; V93-Q97 WeakPolarHBondContact O-CG 3.19Å; V93-Q97 PolarHBondContact O-N 2.75Å; K94-Q97 PolarHBondContact O-N 3.17Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 3.31Å; Q97-Y100 PolarHBondContact O-N 2.88Å; Q97-K101 WeakPolarHBondContact O-CB 3.24Å; Q97-K101 VanDerWaalsContact O-CG 3.28Å; Q97-K101 WeakPolarHBondContact O-CG 3.37Å; Q97-K101 PolarHBondContact O-N 3.35Å; Q97-M123 VanDerWaalsContact CA-CE 3.5Å; Q97-M123 HydrophobicContact CB-CE 4.3Å; Q97-M123 HydrophobicContact CG-CE 3.87Å; Q97-M123 HydrophobicContact CG-CG 3.92Å; Q97-M123 HydrophobicContact CG-SD 4.32Å; Q97-Y125 PolarHBondContact NE2-O 2.92Å
98	K	98.4	Very high	97.8	Very high	138 Å²	138	51.7 Å²	51.7	60%	0.6	24%	0.244	S	C	*	.	H	α-helix	trans	-62.9	-47.8	173.8	-71.3	176.7	-179.5	-173.1	0	111.4	K94 K95 M96 K101 L102 M261	K94-K98 WeakPolarHBondContact O-CG 3.17Å; K94-K98 PolarHBondContact O-N 3.3Å; K94-K98 VanDerWaalsContact O-N 3.15Å; K95-K98 WeakPolarHBondContact O-CB 3.21Å; K95-K98 PolarHBondContact O-N 2.96Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.93Å; K98-K101 PolarHBondContact O-N 3Å; K98-L102 PolarHBondContact O-N 3.32Å; K98-M261 HydrophobicContact CB-CE 4.08Å; K98-M261 HydrophobicContact CB-SD 4.39Å
99	L	98.6	Very high	97.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-48.4	175.2	171.4	67.7	0	0	0	111.4	K95 M96 K101 L102 V103 M261 A264 A265 L268 W282	K95-L99 PolarHBondContact O-N 3.3Å; K95-L99 VanDerWaalsContact O-N 3.1Å; M96-L99 PolarHBondContact O-N 3.41Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-K101 PolarHBondContact O-N 2.96Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; L99-L102 PolarHBondContact O-N 2.87Å; L99-L102 VanDerWaalsContact O-N 3.11Å; L99-V103 HydrophobicContact CD1-CG2 4.03Å; L99-V103 HydrophobicContact CG-CG2 4.41Å; L99-V103 WeakPolarHBondContact O-CG2 3.14Å; L99-V103 PolarHBondContact O-N 3.35Å; L99-M261 HydrophobicContact CB-SD 4.02Å; L99-M261 HydrophobicContact CD1-CB 4.3Å; L99-A264 HydrophobicContact CB-CB 4.12Å; L99-A264 HydrophobicContact CD2-CB 4.03Å; L99-A265 HydrophobicContact CD2-CB 3.49Å; L99-A265 VanDerWaalsContact CD2-CB 3.49Å; L99-A265 VanDerWaalsContact CD2-N 3.28Å; L99-L268 HydrophobicContact CD2-CD1 3.98Å; L99-W282 HydrophobicContact CD2-CE3 4.18Å; L99-W282 HydrophobicContact CD2-CZ3 3.77Å; L99-W282 HydrophobicContact CG-CH2 4.41Å; L99-W282 HydrophobicContact CG-CZ3 3.97Å
100	Y	98.4	Very high	97.1	Very high	43 Å²	43	61.3 Å²	61.3	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-58.4	-44.6	-179.6	178.2	-115.9	0	0	0	112.1	M96 Q97 L102 V103 Q104 W121 M123 W282	M96-Y100 WeakPolarHBondContact O-CB 3.36Å; M96-Y100 PolarHBondContact O-N 2.81Å; Q97-Y100 PolarHBondContact O-N 2.88Å; Y100-L102 VanDerWaalsContact C-N 3.33Å; Y100-L102 PolarHBondContact O-N 3.36Å; Y100-V103 PolarHBondContact O-N 3.3Å; Y100-Q104 HydrophobicContact CD1-CG 4.28Å; Y100-Q104 HydrophobicContact CD2-CG 3.94Å; Y100-Q104 HydrophobicContact CE1-CG 3.97Å; Y100-Q104 HydrophobicContact CE2-CG 3.61Å; Y100-Q104 HydrophobicContact CG-CG 4.31Å; Y100-Q104 WeakPolarHBondContact O-CB 3.37Å; Y100-Q104 VanDerWaalsContact O-CG 3.27Å; Y100-Q104 WeakPolarHBondContact O-CG 3.39Å; Y100-Q104 PolarHBondContact O-N 3.23Å; Y100-Q104 PolarHBondContact OH-NE2 2.78Å; Y100-W121 AromaticContact CD2-CE3 3.85Å; Y100-W121 HydrophobicContact CD2-CE3 3.85Å; Y100-W121 AromaticContact CD2-CZ3 3.52Å; Y100-W121 HydrophobicContact CD2-CZ3 3.52Å; Y100-W121 AromaticContact CE2-CE3 3.49Å; Y100-W121 HydrophobicContact CE2-CE3 3.49Å; Y100-W121 VanDerWaalsContact CE2-CE3 3.49Å; Y100-W121 AromaticContact CE2-CZ3 3.58Å; Y100-W121 HydrophobicContact CE2-CZ3 3.58Å; Y100-W121 HydrophobicContact CG-CZ3 4.08Å; Y100-W121 PolarHBondContact OH-O 3.06Å; Y100-W121 VanDerWaalsContact OH-O 3.1Å; Y100-M123 HydrophobicContact CD1-CB 3.51Å; Y100-M123 HydrophobicContact CD1-CG 4.34Å; Y100-M123 HydrophobicContact CE1-CB 3.6Å; Y100-M123 HydrophobicContact CG-CB 4.07Å; Y100-M123 HydrophobicContact CG-CE 4.35Å; Y100-W282 HydrophobicContact CD2-CH2 4.2Å; Y100-W282 AromaticContact CD2-CZ2 3.81Å; Y100-W282 HydrophobicContact CD2-CZ2 3.81Å
101	K	98.4	Very high	96.9	Very high	143 Å²	143	64 Å²	64	62%	0.622	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-39.4	175.3	-73.2	174.9	-178.2	-177.5	0	112.4	Q97 K98 L99 S105	Q97-K101 WeakPolarHBondContact O-CB 3.24Å; Q97-K101 VanDerWaalsContact O-CG 3.28Å; Q97-K101 WeakPolarHBondContact O-CG 3.37Å; Q97-K101 PolarHBondContact O-N 3.35Å; K98-K101 PolarHBondContact O-N 3Å; L99-K101 VanDerWaalsContact C-N 3.33Å; L99-K101 PolarHBondContact O-N 2.96Å; K101-S105 WeakPolarHBondContact O-CB 3.2Å; K101-S105 PolarHBondContact O-N 3.26Å; K101-S105 PolarHBondContact O-OG 3.46Å
102	L	98.3	Very high	96.8	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-49.5	174.9	174.9	66.4	0	0	0	110.8	K98 L99 Y100 S105 S106 L256 I257	K98-L102 PolarHBondContact O-N 3.32Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; L99-L102 PolarHBondContact O-N 2.87Å; L99-L102 VanDerWaalsContact O-N 3.11Å; Y100-L102 VanDerWaalsContact C-N 3.33Å; Y100-L102 PolarHBondContact O-N 3.36Å; L102-S105 PolarHBondContact O-N 2.75Å; L102-S105 PolarHBondContact O-OG 3.39Å; L102-S105 VanDerWaalsContact O-OG 3.1Å; L102-S106 VanDerWaalsContact O-CB 3.31Å; L102-S106 WeakPolarHBondContact O-CB 3.29Å; L102-S106 PolarHBondContact O-N 3.13Å; L102-L256 HydrophobicContact CD1-CB 4.21Å; L102-L256 HydrophobicContact CD1-CD1 4.06Å; L102-L256 HydrophobicContact CD2-CB 4.18Å; L102-I257 HydrophobicContact CD2-CD1 3.82Å
103	V	98.2	Very high	96.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-48.7	179.9	174.6	0	0	0	0	110.9	L99 Y100 S105 S106 A107 L114 I117 L118 L250 W282	L99-V103 HydrophobicContact CD1-CG2 4.03Å; L99-V103 HydrophobicContact CG-CG2 4.41Å; L99-V103 WeakPolarHBondContact O-CG2 3.14Å; L99-V103 PolarHBondContact O-N 3.35Å; Y100-V103 PolarHBondContact O-N 3.3Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.4Å; V103-S106 PolarHBondContact O-N 3.45Å; V103-A107 HydrophobicContact CB-CB 4.36Å; V103-A107 HydrophobicContact CG1-CB 3.83Å; V103-A107 WeakPolarHBondContact O-CB 3.45Å; V103-A107 PolarHBondContact O-N 3.23Å; V103-L114 HydrophobicContact CG1-CD1 4.04Å; V103-I117 HydrophobicContact CG1-CG2 3.76Å; V103-L118 HydrophobicContact CG1-CD2 4.22Å; V103-L250 HydrophobicContact CG1-CD2 4.18Å; V103-L250 HydrophobicContact CG2-CD1 3.99Å; V103-L250 HydrophobicContact CG2-CD2 3.93Å; V103-W282 HydrophobicContact CB-CH2 4.2Å; V103-W282 HydrophobicContact CG1-CH2 4.37Å; V103-W282 HydrophobicContact CG2-CH2 3.98Å; V103-W282 HydrophobicContact CG2-CZ3 3.96Å
104	Q	97.8	Very high	96.6	Very high	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-38.5	179.3	-76.3	-74.5	-29.6	0	0	113.4	Y100 I117 L118	Y100-Q104 HydrophobicContact CD1-CG 4.28Å; Y100-Q104 HydrophobicContact CD2-CG 3.94Å; Y100-Q104 HydrophobicContact CE1-CG 3.97Å; Y100-Q104 HydrophobicContact CE2-CG 3.61Å; Y100-Q104 HydrophobicContact CG-CG 4.31Å; Y100-Q104 WeakPolarHBondContact O-CB 3.37Å; Y100-Q104 VanDerWaalsContact O-CG 3.27Å; Y100-Q104 WeakPolarHBondContact O-CG 3.39Å; Y100-Q104 PolarHBondContact O-N 3.23Å; Y100-Q104 PolarHBondContact OH-NE2 2.78Å; Q104-I117 PolarHBondContact NE2-O 3.27Å; Q104-L118 PolarHBondContact NE2-O 3.07Å
105	S	97.3	Very high	96.6	Very high	70 Å²	70	61.7 Å²	61.7	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-82.6	-38.5	-178.3	56.8	0	0	0	0	113.2	K101 L102 V103 R108	K101-S105 WeakPolarHBondContact O-CB 3.2Å; K101-S105 PolarHBondContact O-N 3.26Å; K101-S105 PolarHBondContact O-OG 3.46Å; L102-S105 PolarHBondContact O-N 2.75Å; L102-S105 PolarHBondContact O-OG 3.39Å; L102-S105 VanDerWaalsContact O-OG 3.1Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.4Å; S105-R108 PolarHBondContact O-NH1 3.2Å; S105-R108 VanDerWaalsContact O-NH1 3.1Å; S105-R108 PolarHBondContact O-NH2 3.4Å; S105-R108 VanDerWaalsContact O-NH2 3.16Å
106	S	96.8	Very high	96.5	Very high	47 Å²	47	63.8 Å²	63.8	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-121.1	-25.6	-159.2	-54.2	0	0	0	0	114.3	L102 V103	L102-S106 VanDerWaalsContact O-CB 3.31Å; L102-S106 WeakPolarHBondContact O-CB 3.29Å; L102-S106 PolarHBondContact O-N 3.13Å; V103-S106 PolarHBondContact O-N 3.45Å
107	A	96	Very high	96.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.32	C	S	.	.			trans	-70.8	144.8	-177.6	0	0	0	0	0	111.5	V103 L114 L250 V252	V103-A107 HydrophobicContact CB-CB 4.36Å; V103-A107 HydrophobicContact CG1-CB 3.83Å; V103-A107 WeakPolarHBondContact O-CB 3.45Å; V103-A107 PolarHBondContact O-N 3.23Å; A107-L114 HydrophobicContact CB-CD1 4.15Å; A107-L250 WeakPolarHBondContact CA-O 3.45Å; A107-L250 HydrophobicContact CB-CB 4.25Å; A107-L250 HydrophobicContact CB-CD2 4.2Å; A107-L250 VanDerWaalsContact CB-O 3.3Å; A107-L250 WeakPolarHBondContact CB-O 3.48Å; A107-V252 HydrophobicContact CB-CG1 4.31Å
108	R	93.8	Very high	96.4	Very high	140 Å²	140	63.9 Å²	63.9	53%	0.528	32%	0.322	S	S	.	.			trans	-140.9	133.7	-179.5	-60.8	-66.2	179.8	-89.9	-3.2	109.5	S105 L250 N251	S105-R108 PolarHBondContact O-NH1 3.2Å; S105-R108 VanDerWaalsContact O-NH1 3.1Å; S105-R108 PolarHBondContact O-NH2 3.4Å; S105-R108 VanDerWaalsContact O-NH2 3.16Å; R108-L250 PolarHBondContact N-O 3.09Å; R108-L250 VanDerWaalsContact N-O 3.14Å; R108-N251 HydrophobicContact CB-CB 4.42Å; R108-N251 WeakPolarHBondContact O-CB 3.31Å
109	G	90.8	Very high	96.3	Very high	42 Å²	42	61.3 Å²	61.3	43%	0.433	32%	0.318	S	S	.	.			trans	168.6	164	176.1	0	0	0	0	0	111.5
110	E	90.3	Very high	96.1	Very high	193 Å²	193	67.7 Å²	67.7	90%	0.902	35%	0.348	S	S	*	.			trans	-105.4	-1.3	-177.1	-61.8	-176.3	173	0	0	112.7	C112	E110-C112 PolarHBondContact O-N 3.19Å
111	D	94.8	Very high	96.1	Very high	91 Å²	91	66.6 Å²	66.6	49%	0.487	34%	0.344	S	S	.	.			trans	-59.2	134.9	177.4	-71.9	-59.8	0	0	0	111.4	W113 L114 H115	D111-W113 VanDerWaalsContact C-N 3.26Å; D111-W113 HydrophobicContact CB-CG 4.42Å; D111-W113 VanDerWaalsContact CB-NE1 3.3Å; D111-W113 PolarHBondContact O-N 3.43Å; D111-L114 HydrophobicContact CB-CB 4.38Å; D111-L114 PolarHBondContact O-N 2.96Å; D111-H115 PolarHBondContact O-N 3.3Å
112	C	94.6	Very high	96	Very high	82 Å²	82	64.1 Å²	64.1	55%	0.554	34%	0.34	S	S	*	.	H	α-helix	trans	-56.2	-39.2	-176.2	-65.2	0	0	0	0	113	E110 H115 E116	E110-C112 PolarHBondContact O-N 3.19Å; C112-H115 PolarHBondContact O-N 3.28Å; C112-E116 WeakPolarHBondContact O-CB 3.47Å; C112-E116 PolarHBondContact O-N 2.79Å
113	W	95.7	Very high	95.9	Very high	35 Å²	35	64.6 Å²	64.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-36.2	179.5	67.6	-94.1	0	0	0	112.4	D111 I117 R249 L250 P281 R284 L285	D111-W113 VanDerWaalsContact C-N 3.26Å; D111-W113 HydrophobicContact CB-CG 4.42Å; D111-W113 VanDerWaalsContact CB-NE1 3.3Å; D111-W113 PolarHBondContact O-N 3.43Å; W113-I117 HydrophobicContact CE3-CD1 3.75Å; W113-I117 HydrophobicContact CZ3-CD1 3.85Å; W113-I117 WeakPolarHBondContact O-CG1 3.17Å; W113-I117 PolarHBondContact O-N 2.76Å; W113-I117 VanDerWaalsContact O-N 3.13Å; W113-R249 HydrophobicContact CH2-CB 4.33Å; W113-R249 HydrophobicContact CZ2-CB 4.17Å; W113-L250 HydrophobicContact CH2-CD2 3.99Å; W113-L250 HydrophobicContact CZ3-CD2 4.2Å; W113-P281 HydrophobicContact CB-CB 4.25Å; W113-P281 WeakPolarHBondContact O-CB 3.39Å; W113-R284 HydrophobicContact CB-CB 3.83Å; W113-R284 HydrophobicContact CB-CG 3.68Å; W113-R284 HydrophobicContact CD2-CB 3.79Å; W113-R284 HydrophobicContact CE3-CB 4.24Å; W113-R284 HydrophobicContact CG-CB 3.56Å; W113-R284 HydrophobicContact CG-CG 3.97Å; W113-L285 HydrophobicContact CH2-CD2 3.4Å; W113-L285 VanDerWaalsContact CH2-CD2 3.4Å; W113-L285 HydrophobicContact CH2-CG 4.29Å; W113-L285 HydrophobicContact CZ2-CD2 4.34Å; W113-L285 HydrophobicContact CZ3-CD2 3.58Å; W113-L285 HydrophobicContact CZ3-CG 4.01Å
114	L	97.3	Very high	95.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-73.8	-41.1	177.3	179.6	58	0	0	0	109.9	V103 A107 D111 E116 I117 L118 L250	V103-L114 HydrophobicContact CG1-CD1 4.04Å; A107-L114 HydrophobicContact CB-CD1 4.15Å; D111-L114 HydrophobicContact CB-CB 4.38Å; D111-L114 PolarHBondContact O-N 2.96Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.08Å; L114-I117 PolarHBondContact O-N 2.99Å; L114-I117 VanDerWaalsContact O-N 3.13Å; L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.23Å; L114-L118 HydrophobicContact CG-CD1 4.03Å; L114-L118 HydrophobicContact CG-CG 4.42Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.22Å; L114-L250 HydrophobicContact CD1-CD2 3.97Å
115	H	96.8	Very high	95.8	Very high	98 Å²	98	64.2 Å²	64.2	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-56.4	-45.3	173	-174.3	81.9	0	0	0	111.2	D111 C112 I117 L118 T119	D111-H115 PolarHBondContact O-N 3.3Å; C112-H115 PolarHBondContact O-N 3.28Å; H115-I117 PolarHBondContact O-N 2.58Å; H115-L118 PolarHBondContact O-N 2.85Å; H115-L118 VanDerWaalsContact O-N 3.13Å; H115-T119 PolarHBondContact CD2-OG1 2.82Å; H115-T119 VanDerWaalsContact CE1-CG2 3.49Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.2Å; H115-T119 PolarHBondContact NE2-OG1 2.82Å; H115-T119 VanDerWaalsContact NE2-OG1 3.14Å; H115-T119 PolarHBondContact O-N 2.81Å; H115-T119 PolarHBondContact O-OG1 2.84Å
116	E	96.6	Very high	95.8	Very high	75 Å²	75	63.7 Å²	63.7	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-57.3	-45.9	174.2	-172	-173.4	152.1	0	0	111.8	C112 L114 L118 Q120 W121 P281	C112-E116 WeakPolarHBondContact O-CB 3.47Å; C112-E116 PolarHBondContact O-N 2.79Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.08Å; E116-L118 VanDerWaalsContact C-N 3.27Å; E116-L118 PolarHBondContact O-N 3.17Å; E116-Q120 HydrophobicContact CG-CB 4.17Å; E116-Q120 CarbonylContact O-C 3.59Å; E116-Q120 WeakPolarHBondContact O-CA 3.37Å; E116-Q120 PolarHBondContact O-N 2.86Å; E116-W121 PolarHBondContact O-N 2.87Å; E116-P281 HydrophobicContact CB-CB 4.37Å; E116-P281 HydrophobicContact CG-CB 4.44Å; E116-P281 HydrophobicContact CG-CG 4.18Å; E116-P281 WeakPolarHBondContact OE1-CD 3.46Å; E116-P281 WeakPolarHBondContact OE1-CG 3.48Å
117	I	97.3	Very high	95.8	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-38.4	176.2	-69.5	169.1	0	0	0	112	V103 Q104 W113 L114 H115 P281 W282	V103-I117 HydrophobicContact CG1-CG2 3.76Å; Q104-I117 PolarHBondContact NE2-O 3.27Å; W113-I117 HydrophobicContact CE3-CD1 3.75Å; W113-I117 HydrophobicContact CZ3-CD1 3.85Å; W113-I117 WeakPolarHBondContact O-CG1 3.17Å; W113-I117 PolarHBondContact O-N 2.76Å; W113-I117 VanDerWaalsContact O-N 3.13Å; L114-I117 PolarHBondContact O-N 2.99Å; L114-I117 VanDerWaalsContact O-N 3.13Å; H115-I117 PolarHBondContact O-N 2.58Å; I117-P281 HydrophobicContact CD1-CB 4.14Å; I117-P281 HydrophobicContact CD1-CG 4.44Å; I117-P281 HydrophobicContact CG1-CB 3.77Å; I117-P281 HydrophobicContact CG1-CG 3.71Å; I117-W282 HydrophobicContact CD1-CD2 3.88Å; I117-W282 HydrophobicContact CD1-CE3 4Å; I117-W282 HydrophobicContact CD1-CG 4.34Å; I117-W282 HydrophobicContact CD1-CH2 4.44Å; I117-W282 HydrophobicContact CD1-CZ2 4.33Å; I117-W282 HydrophobicContact CD1-CZ3 4.28Å; I117-W282 HydrophobicContact CG1-CD2 4.4Å; I117-W282 HydrophobicContact CG1-CZ2 4.33Å; I117-W282 HydrophobicContact CG2-CH2 3.72Å; I117-W282 HydrophobicContact CG2-CZ2 3.5Å
118	L	97.2	Very high	95.8	Very high	49 Å²	49	69.6 Å²	69.6	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-78.6	-37.4	-175.2	-69.1	175.3	0	0	0	113	V103 Q104 L114 H115 E116	V103-L118 HydrophobicContact CG1-CD2 4.22Å; Q104-L118 PolarHBondContact NE2-O 3.07Å; L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.23Å; L114-L118 HydrophobicContact CG-CD1 4.03Å; L114-L118 HydrophobicContact CG-CG 4.42Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 3.22Å; H115-L118 PolarHBondContact O-N 2.85Å; H115-L118 VanDerWaalsContact O-N 3.13Å; E116-L118 VanDerWaalsContact C-N 3.27Å; E116-L118 PolarHBondContact O-N 3.17Å
119	T	96.3	Very high	95.9	Very high	84 Å²	84	64 Å²	64	52%	0.515	34%	0.338	S	S	.	.	H	α-helix	trans	-113	-23.8	-169	65.7	0	0	0	0	115	H115	H115-T119 PolarHBondContact CD2-OG1 2.82Å; H115-T119 VanDerWaalsContact CE1-CG2 3.49Å; H115-T119 WeakPolarHBondContact CE1-CG2 3.2Å; H115-T119 PolarHBondContact NE2-OG1 2.82Å; H115-T119 VanDerWaalsContact NE2-OG1 3.14Å; H115-T119 PolarHBondContact O-N 2.81Å; H115-T119 PolarHBondContact O-OG1 2.84Å
120	Q	96.2	Very high	96.2	Very high	136 Å²	136	65.3 Å²	65.3	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-41.8	-172.1	-60.2	178.7	16.6	0	0	112.7	E116	E116-Q120 HydrophobicContact CG-CB 4.17Å; E116-Q120 CarbonylContact O-C 3.59Å; E116-Q120 WeakPolarHBondContact O-CA 3.37Å; E116-Q120 PolarHBondContact O-N 2.86Å
121	W	97.1	Very high	96.5	Very high	20 Å²	20	56.1 Å²	56.1	8%	0.076	29%	0.292	C	S	.	.			trans	-76.1	128.6	-177.8	-166.6	97.2	0	0	0	111.2	Y100 E116 M123 L268 E272 W282	Y100-W121 AromaticContact CD2-CE3 3.85Å; Y100-W121 HydrophobicContact CD2-CE3 3.85Å; Y100-W121 AromaticContact CD2-CZ3 3.52Å; Y100-W121 HydrophobicContact CD2-CZ3 3.52Å; Y100-W121 AromaticContact CE2-CE3 3.49Å; Y100-W121 HydrophobicContact CE2-CE3 3.49Å; Y100-W121 VanDerWaalsContact CE2-CE3 3.49Å; Y100-W121 AromaticContact CE2-CZ3 3.58Å; Y100-W121 HydrophobicContact CE2-CZ3 3.58Å; Y100-W121 HydrophobicContact CG-CZ3 4.08Å; Y100-W121 PolarHBondContact OH-O 3.06Å; Y100-W121 VanDerWaalsContact OH-O 3.1Å; E116-W121 PolarHBondContact O-N 2.87Å; W121-M123 HydrophobicContact CH2-CB 4.3Å; W121-M123 HydrophobicContact CH2-CE 4.24Å; W121-M123 HydrophobicContact CH2-SD 3.79Å; W121-M123 HydrophobicContact CZ3-CB 3.94Å; W121-M123 HydrophobicContact CZ3-SD 4.3Å; W121-L268 HydrophobicContact CH2-CD2 3.75Å; W121-L268 HydrophobicContact CZ2-CD2 3.87Å; W121-E272 VanDerWaalsContact NE1-CD 3.33Å; W121-E272 PolarHBondContact NE1-OE1 2.93Å; W121-E272 PolarHBondContact NE1-OE2 2.95Å; W121-W282 AromaticContact CD2-NE1 3.38Å; W121-W282 AromaticContact CE2-CD1 3.82Å; W121-W282 AromaticContact CE2-NE1 3.22Å; W121-W282 HydrophobicContact CE3-CZ2 4.06Å; W121-W282 AromaticContact CE3-NE1 3.66Å; W121-W282 AromaticContact CG-NE1 3.98Å; W121-W282 HydrophobicContact CH2-CZ2 4.43Å; W121-W282 AromaticContact CH2-NE1 3.69Å; W121-W282 AromaticContact CZ2-NE1 3.41Å; W121-W282 AromaticContact CZ3-CZ2 3.97Å; W121-W282 HydrophobicContact CZ3-CZ2 3.97Å; W121-W282 AromaticContact CZ3-NE1 3.81Å; W121-W282 AromaticContact NE1-CD1 3.87Å; W121-W282 AromaticContact NE1-NE1 3.68Å
122	T	96.2	Very high	96.6	Very high	90 Å²	90	56.7 Å²	56.7	55%	0.552	29%	0.287	S	S	*	.			trans	-112.1	143.5	177.7	60.4	0	0	0	0	111.3	W124	T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 VanDerWaalsContact O-CD1 3.3Å; T122-W124 PolarHBondContact O-N 2.73Å
123	M	96.9	Very high	96.8	Very high	36 Å²	36	53.7 Å²	53.7	18%	0.177	27%	0.265	C	S	.	.			trans	-70.6	85.5	170.4	-179.4	57.4	95.5	0	0	111.2	M96 Q97 Y100 W121 Y125 L268	M96-M123 HydrophobicContact CB-CE 3.6Å; M96-M123 WeakPolarHBondContact O-CE 3.32Å; Q97-M123 VanDerWaalsContact CA-CE 3.5Å; Q97-M123 HydrophobicContact CB-CE 4.3Å; Q97-M123 HydrophobicContact CG-CE 3.87Å; Q97-M123 HydrophobicContact CG-CG 3.92Å; Q97-M123 HydrophobicContact CG-SD 4.32Å; Y100-M123 HydrophobicContact CD1-CB 3.51Å; Y100-M123 HydrophobicContact CD1-CG 4.34Å; Y100-M123 HydrophobicContact CE1-CB 3.6Å; Y100-M123 HydrophobicContact CG-CB 4.07Å; Y100-M123 HydrophobicContact CG-CE 4.35Å; W121-M123 HydrophobicContact CH2-CB 4.3Å; W121-M123 HydrophobicContact CH2-CE 4.24Å; W121-M123 HydrophobicContact CH2-SD 3.79Å; W121-M123 HydrophobicContact CZ3-CB 3.94Å; W121-M123 HydrophobicContact CZ3-SD 4.3Å; M123-Y125 HydrophobicContact SD-CD2 4.19Å; M123-L268 HydrophobicContact CE-CD2 4.44Å
124	W	95.4	Very high	97	Very high	60 Å²	60	52.3 Å²	52.3	23%	0.227	26%	0.261	C	S	.	.			trans	-87	-9.6	-178.7	66.5	-86.5	0	0	0	113.1	Y87 T122 T126 M129 E272 I275 K276	Y87-W124 HydrophobicContact CD1-CH2 4.29Å; Y87-W124 HydrophobicContact CD1-CZ3 4.27Å; Y87-W124 AromaticContact CE1-CH2 3.72Å; Y87-W124 HydrophobicContact CE1-CH2 3.72Å; Y87-W124 AromaticContact CE1-CZ3 3.54Å; Y87-W124 HydrophobicContact CE1-CZ3 3.54Å; T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 VanDerWaalsContact O-CD1 3.3Å; T122-W124 PolarHBondContact O-N 2.73Å; W124-T126 PolarHBondContact O-N 2.79Å; W124-M129 HydrophobicContact CE3-CE 3.94Å; W124-M129 HydrophobicContact CZ3-CE 4.1Å; W124-M129 HydrophobicContact CZ3-SD 4.42Å; W124-M129 WeakPolarHBondContact O-CE 3.41Å; W124-E272 PolarHBondContact NE1-OE1 2.8Å; W124-E272 VanDerWaalsContact NE1-OE1 3.14Å; W124-I275 HydrophobicContact CH2-CG2 4.38Å; W124-K276 HydrophobicContact CZ2-CD 4.36Å
125	Y	97.6	Very high	97	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.289	C	S	.	.			trans	-75	120	172.8	-66	-66.1	0	0	0	111	Y87 P88 V93 M96 Q97 M123 M129 L268 Y271 E272 I275	Y87-Y125 HydrophobicContact CD1-CD1 4.37Å; Y87-Y125 HydrophobicContact CD1-CE1 4.11Å; P88-Y125 HydrophobicContact CG-CD1 3.78Å; P88-Y125 HydrophobicContact CG-CE1 3.8Å; P88-Y125 HydrophobicContact CG-CG 4.22Å; V93-Y125 WeakPolarHBondContact CG1-O 3.15Å; M96-Y125 HydrophobicContact SD-CD2 4.25Å; Q97-Y125 PolarHBondContact NE2-O 2.92Å; M123-Y125 HydrophobicContact SD-CD2 4.19Å; Y125-M129 HydrophobicContact CD1-SD 3.98Å; Y125-L268 HydrophobicContact CD2-CD2 4Å; Y125-L268 HydrophobicContact CE2-CD2 3.95Å; Y125-Y271 WeakPolarHBondContact OH-CB 3.42Å; Y125-E272 HydrophobicContact CE2-CG 4.3Å; Y125-E272 PolarHBondContact OH-N 2.85Å; Y125-I275 HydrophobicContact CE1-CD1 4.05Å
126	T	97.3	Very high	97.1	Very high	58 Å²	58	55.3 Å²	55.3	36%	0.356	28%	0.275	S	S	.	.			trans	-110.7	153.3	177.8	57.4	0	0	0	0	111	W124 D128 M129	W124-T126 PolarHBondContact O-N 2.79Å; T126-D128 WeakPolarHBondContact CB-OD1 3.28Å; T126-D128 PolarHBondContact O-N 3.44Å; T126-D128 PolarHBondContact OG1-OD1 2.87Å; T126-M129 WeakPolarHBondContact O-CB 3.49Å; T126-M129 PolarHBondContact O-N 3.36Å; T126-M129 WeakPolarHBondContact OG1-CG 3.29Å
127	E	96.8	Very high	97.2	Very high	76 Å²	76	51.8 Å²	51.8	36%	0.355	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29.9	-174.9	-69.7	-169.8	-155.1	0	0	113.2	T90 V93 K94 M129 D130	T90-E127 HydrophobicContact CG2-CB 3.92Å; T90-E127 HydrophobicContact CG2-CG 4.01Å; T90-E127 WeakPolarHBondContact CG2-OE2 3.25Å; T90-E127 PolarHBondContact OG1-O 2.93Å; V93-E127 HydrophobicContact CG1-CG 4.25Å; K94-E127 WeakPolarHBondContact CE-OE1 3.33Å; K94-E127 WeakPolarHBondContact CE-OE2 3.1Å; K94-E127 HydrophobicContact CG-CG 4.48Å; K94-E127 IonicContact NZ-OE2 3.64Å; K94-E127 PolarHBondContact NZ-OE2 3.14Å; E127-M129 PolarHBondContact O-N 3.04Å; E127-D130 PolarHBondContact O-N 3.47Å
128	D	96.4	Very high	97.2	Very high	96 Å²	96	53.2 Å²	53.2	51%	0.513	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-69	-20.2	180	70.2	-69	0	0	0	112.4	T126 D130 R132	T126-D128 WeakPolarHBondContact CB-OD1 3.28Å; T126-D128 PolarHBondContact O-N 3.44Å; T126-D128 PolarHBondContact OG1-OD1 2.87Å; D128-D130 PolarHBondContact O-N 3.39Å; D128-R132 PolarHBondContact O-NH1 3.31Å; D128-R132 PolarHBondContact O-NH2 3.48Å; D128-R132 IonicContact OD2-CZ 2.65Å; D128-R132 IonicContact OD2-NH1 3.23Å; D128-R132 PolarHBondContact OD2-NH1 3.32Å; D128-R132 IonicContact OD2-NH2 3.1Å; D128-R132 PolarHBondContact OD2-NH2 2.99Å
129	M	96.3	Very high	97.3	Very high	23 Å²	23	53.5 Å²	53.5	11%	0.113	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.7	174.6	-66.7	-178.5	179.3	0	0	113.1	Y87 W124 Y125 T126 E127 G131 R132	Y87-M129 HydrophobicContact CD1-SD 3.72Å; Y87-M129 HydrophobicContact CD2-CB 3.99Å; Y87-M129 HydrophobicContact CD2-CG 4.19Å; Y87-M129 HydrophobicContact CD2-SD 4.3Å; Y87-M129 HydrophobicContact CE1-SD 4Å; Y87-M129 HydrophobicContact CG-CB 3.89Å; Y87-M129 HydrophobicContact CG-CG 4.21Å; Y87-M129 HydrophobicContact CG-SD 3.91Å; W124-M129 HydrophobicContact CE3-CE 3.94Å; W124-M129 HydrophobicContact CZ3-CE 4.1Å; W124-M129 HydrophobicContact CZ3-SD 4.42Å; W124-M129 WeakPolarHBondContact O-CE 3.41Å; Y125-M129 HydrophobicContact CD1-SD 3.98Å; T126-M129 WeakPolarHBondContact O-CB 3.49Å; T126-M129 PolarHBondContact O-N 3.36Å; T126-M129 WeakPolarHBondContact OG1-CG 3.29Å; E127-M129 PolarHBondContact O-N 3.04Å; M129-G131 VanDerWaalsContact C-N 3.34Å; M129-G131 PolarHBondContact O-N 3.39Å; M129-R132 VanDerWaalsContact O-CB 3.28Å; M129-R132 WeakPolarHBondContact O-CB 3.4Å; M129-R132 VanDerWaalsContact O-CG 3.31Å; M129-R132 WeakPolarHBondContact O-CG 3.29Å; M129-R132 PolarHBondContact O-N 2.9Å
130	D	96.3	Very high	97.4	Very high	69 Å²	69	49.8 Å²	49.8	37%	0.369	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	6.4	68.3	178.2	-165.6	32.9	0	0	0	117.2	T89 T90 E127 D128 R132 H174	T89-D130 WeakPolarHBondContact CA-OD1 3.38Å; T90-D130 PolarHBondContact N-OD1 2.74Å; T90-D130 WeakPolarHBondContact OG1-CB 3.2Å; T90-D130 VanDerWaalsContact OG1-CG 3.27Å; T90-D130 PolarHBondContact OG1-OD1 3.46Å; E127-D130 PolarHBondContact O-N 3.47Å; D128-D130 PolarHBondContact O-N 3.39Å; D130-R132 PolarHBondContact O-N 3.41Å; D130-R132 VanDerWaalsContact O-N 3.16Å; D130-H174 PolarHBondContact O-CE1 2.77Å; D130-H174 PolarHBondContact O-NE2 2.88Å
131	G	97.1	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	18.7	176	0	0	0	0	0	116	R86 Y87 P88 M129 R175	R86-G131 WeakPolarHBondContact CD-O 3.42Å; Y87-G131 WeakPolarHBondContact O-CA 3.37Å; P88-G131 PolarHBondContact O-N 3.47Å; M129-G131 VanDerWaalsContact C-N 3.34Å; M129-G131 PolarHBondContact O-N 3.39Å; G131-R175 WeakPolarHBondContact O-CB 3.29Å; G131-R175 WeakPolarHBondContact O-CD 3.47Å
132	R	98.3	Very high	97.7	Very high	102 Å²	102	43.9 Å²	43.9	39%	0.385	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-58.1	139.9	169.5	-69.8	-170.6	-66.6	-124.1	6.9	110.3	R86 Y87 D128 M129 D130 H174	R86-R132 WeakPolarHBondContact CA-O 2.89Å; R86-R132 VanDerWaalsContact CB-O 3.29Å; R86-R132 WeakPolarHBondContact CB-O 3.38Å; Y87-R132 HydrophobicContact CD2-CB 4.19Å; Y87-R132 PolarHBondContact N-O 3.38Å; D128-R132 PolarHBondContact O-NH1 3.31Å; D128-R132 PolarHBondContact O-NH2 3.48Å; D128-R132 IonicContact OD2-CZ 2.65Å; D128-R132 IonicContact OD2-NH1 3.23Å; D128-R132 PolarHBondContact OD2-NH1 3.32Å; D128-R132 IonicContact OD2-NH2 3.1Å; D128-R132 PolarHBondContact OD2-NH2 2.99Å; M129-R132 VanDerWaalsContact O-CB 3.28Å; M129-R132 WeakPolarHBondContact O-CB 3.4Å; M129-R132 VanDerWaalsContact O-CG 3.31Å; M129-R132 WeakPolarHBondContact O-CG 3.29Å; M129-R132 PolarHBondContact O-N 2.9Å; D130-R132 PolarHBondContact O-N 3.41Å; D130-R132 VanDerWaalsContact O-N 3.16Å; R132-H174 VanDerWaalsContact CA-NE2 3.35Å; R132-H174 WeakPolarHBondContact CA-NE2 3.36Å; R132-H174 WeakPolarHBondContact CG-NE2 3.3Å; R132-H174 PolarHBondContact N-NE2 2.85Å
133	L	98.5	Very high	97.8	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.099	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-61.3	134.6	175.8	-161.4	74.9	0	0	0	108.9	T85 V138 N178 S179	T85-L133 VanDerWaalsContact O-CD1 3.31Å; T85-L133 WeakPolarHBondContact O-CD1 3.32Å; L133-V138 HydrophobicContact CD2-CG2 3.92Å; L133-N178 HydrophobicContact CB-CB 4.23Å; L133-N178 HydrophobicContact CD2-CB 3.72Å; L133-S179 WeakPolarHBondContact CD1-OG 3.32Å
134	V	98.5	Very high	97.9	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-93.9	169.6	175	-56.1	0	0	0	0	110.3	T85 Y87 K136 G137 V138 I275	T85-V134 HydrophobicContact CG2-CG2 3.7Å; T85-V134 WeakPolarHBondContact O-CG2 3.4Å; T85-V134 PolarHBondContact O-N 2.94Å; T85-V134 VanDerWaalsContact O-N 3.1Å; Y87-V134 HydrophobicContact CD1-CG1 3.66Å; Y87-V134 HydrophobicContact CD2-CG1 3.63Å; Y87-V134 HydrophobicContact CE1-CG1 3.54Å; Y87-V134 HydrophobicContact CE2-CG1 3.58Å; Y87-V134 HydrophobicContact CG-CG1 3.68Å; V134-K136 VanDerWaalsContact C-N 3.26Å; V134-K136 HydrophobicContact CG2-CB 3.87Å; V134-K136 PolarHBondContact O-N 2.99Å; V134-G137 WeakPolarHBondContact O-CA 3.3Å; V134-G137 PolarHBondContact O-N 2.91Å; V134-V138 PolarHBondContact O-N 3Å; V134-V138 VanDerWaalsContact O-N 3.09Å; V134-I275 HydrophobicContact CB-CG2 4.33Å; V134-I275 HydrophobicContact CG1-CD1 4.21Å; V134-I275 HydrophobicContact CG1-CG1 4.14Å; V134-I275 HydrophobicContact CG1-CG2 4.17Å; V134-I275 HydrophobicContact CG2-CG1 4.17Å; V134-I275 HydrophobicContact CG2-CG2 4.26Å
135	Q	98.3	Very high	98	Very high	128 Å²	128	36.9 Å²	36.9	60%	0.598	18%	0.18	S	C	*	.	H	α-helix	trans	-55.1	-42.9	176.3	-171.9	60.7	30.6	0	0	112	G137 V138 E139	Q135-G137 PolarHBondContact O-N 3.15Å; Q135-V138 WeakPolarHBondContact O-CA 3.3Å; Q135-V138 VanDerWaalsContact O-CB 3.3Å; Q135-V138 WeakPolarHBondContact O-CB 3.39Å; Q135-V138 PolarHBondContact O-N 2.96Å; Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 PolarHBondContact O-N 3.05Å
136	K	98	Very high	98.1	Very high	34 Å²	34	37.6 Å²	37.6	15%	0.148	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-38.7	173.1	179.2	56.8	172.7	130.1	0	112.6	E47 T85 V134 E139 D140 A274	E47-K136 IonicContact OE1-NZ 3.61Å; E47-K136 PolarHBondContact OE1-NZ 2.72Å; E47-K136 IonicContact OE2-NZ 2.58Å; T85-K136 HydrophobicContact CG2-CB 4.49Å; T85-K136 HydrophobicContact CG2-CG 4.34Å; V134-K136 VanDerWaalsContact C-N 3.26Å; V134-K136 HydrophobicContact CG2-CB 3.87Å; V134-K136 PolarHBondContact O-N 2.99Å; K136-E139 PolarHBondContact O-N 3.49Å; K136-D140 WeakPolarHBondContact CE-OD1 3.27Å; K136-D140 IonicContact NZ-OD1 3.26Å; K136-D140 PolarHBondContact NZ-OD1 2.85Å; K136-D140 PolarHBondContact O-N 3.16Å; K136-A274 WeakPolarHBondContact CG-O 3.47Å
137	G	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-29.3	175.7	0	0	0	0	0	114.4	T85 V134 Q135 D140 L141	T85-G137 VanDerWaalsContact N-CA 3.31Å; T85-G137 WeakPolarHBondContact O-CA 3.33Å; V134-G137 WeakPolarHBondContact O-CA 3.3Å; V134-G137 PolarHBondContact O-N 2.91Å; Q135-G137 PolarHBondContact O-N 3.15Å; G137-D140 WeakPolarHBondContact CA-OD2 3.14Å; G137-L141 VanDerWaalsContact O-CD2 3.32Å; G137-L141 WeakPolarHBondContact O-CD2 3.48Å
138	V	98.9	Very high	98.3	Very high	30 Å²	30	31.5 Å²	31.5	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-50.6	169.3	173.3	0	0	0	0	109.3	L133 V134 Q135 D140 L141 K142 S182	L133-V138 HydrophobicContact CD2-CG2 3.92Å; V134-V138 PolarHBondContact O-N 3Å; V134-V138 VanDerWaalsContact O-N 3.09Å; Q135-V138 WeakPolarHBondContact O-CA 3.3Å; Q135-V138 VanDerWaalsContact O-CB 3.3Å; Q135-V138 WeakPolarHBondContact O-CB 3.39Å; Q135-V138 PolarHBondContact O-N 2.96Å; V138-D140 VanDerWaalsContact C-N 3.34Å; V138-D140 PolarHBondContact O-N 3.05Å; V138-L141 PolarHBondContact O-N 2.92Å; V138-K142 HydrophobicContact CG1-CD 4.13Å; V138-K142 HydrophobicContact CG1-CG 4.46Å; V138-K142 PolarHBondContact O-N 2.98Å; V138-S182 WeakPolarHBondContact O-CB 3.24Å
139	E	98.8	Very high	98.4	Very high	55 Å²	55	27.2 Å²	27.2	26%	0.257	13%	0.129	S	C	.	.	H	α-helix	trans	-62.5	-38.4	178.7	-60.2	-46.2	131.8	0	0	112.6	Q135 K136 L141 K142 H143	Q135-E139 PolarHBondContact NE2-OE1 2.93Å; Q135-E139 PolarHBondContact O-N 3.05Å; K136-E139 PolarHBondContact O-N 3.49Å; E139-L141 PolarHBondContact O-N 3.11Å; E139-K142 PolarHBondContact O-N 2.93Å; E139-H143 VanDerWaalsContact O-CB 3.31Å; E139-H143 WeakPolarHBondContact O-CB 3.46Å; E139-H143 PolarHBondContact O-N 3.07Å; E139-H143 PolarHBondContact O-ND1 3.18Å; E139-H143 IonicContact OE2-CE1 2.75Å; E139-H143 IonicContact OE2-NE2 3.44Å
140	D	98.8	Very high	98.4	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	14%	0.142	C	C	.	.	H	α-helix	trans	-52.6	-45.4	177.1	-67.9	-24.7	0	0	0	111.1	T85 K136 G137 V138 L144 A393	T85-D140 VanDerWaalsContact CB-OD2 3.27Å; T85-D140 WeakPolarHBondContact CB-OD2 3.37Å; T85-D140 PolarHBondContact N-OD2 2.03Å; T85-D140 PolarHBondContact OG1-OD2 2.92Å; K136-D140 WeakPolarHBondContact CE-OD1 3.27Å; K136-D140 IonicContact NZ-OD1 3.26Å; K136-D140 PolarHBondContact NZ-OD1 2.85Å; K136-D140 PolarHBondContact O-N 3.16Å; G137-D140 WeakPolarHBondContact CA-OD2 3.14Å; V138-D140 VanDerWaalsContact C-N 3.34Å; V138-D140 PolarHBondContact O-N 3.05Å; D140-L144 VanDerWaalsContact O-CB 3.3Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 PolarHBondContact O-N 2.83Å; D140-A393 HydrophobicContact CB-CB 3.93Å
141	L	98.9	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-83.4	-34.5	-176	-83.2	-56.1	0	0	0	113	I81 G84 G137 V138 E139 L144 A145 F183 A393	I81-L141 HydrophobicContact CG2-CD1 3.7Å; G84-L141 VanDerWaalsContact N-CD2 3.26Å; G137-L141 VanDerWaalsContact O-CD2 3.32Å; G137-L141 WeakPolarHBondContact O-CD2 3.48Å; V138-L141 PolarHBondContact O-N 2.92Å; E139-L141 PolarHBondContact O-N 3.11Å; L141-L144 HydrophobicContact CD1-CD2 4.16Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.06Å; L141-F183 HydrophobicContact CB-CB 4.36Å; L141-F183 HydrophobicContact CD1-CD2 4.36Å; L141-A393 HydrophobicContact CD2-CB 4.24Å
142	K	98.9	Very high	98.5	Very high	32 Å²	32	27.4 Å²	27.4	14%	0.139	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-50.8	171	-76.6	-176.3	169.1	-159.7	0	110.7	V138 E139 L144 A145 V146 S182 A185 E189	V138-K142 HydrophobicContact CG1-CD 4.13Å; V138-K142 HydrophobicContact CG1-CG 4.46Å; V138-K142 PolarHBondContact O-N 2.98Å; E139-K142 PolarHBondContact O-N 2.93Å; K142-L144 PolarHBondContact O-N 3.43Å; K142-A145 WeakPolarHBondContact O-CB 3.49Å; K142-A145 PolarHBondContact O-N 3.17Å; K142-V146 WeakPolarHBondContact O-CG2 3.21Å; K142-V146 PolarHBondContact O-N 3.39Å; K142-S182 WeakPolarHBondContact CG-O 3.22Å; K142-A185 HydrophobicContact CG-CB 4.49Å; K142-E189 WeakPolarHBondContact CE-OE1 3.27Å; K142-E189 WeakPolarHBondContact CE-OE2 3.31Å; K142-E189 IonicContact NZ-OE1 2.98Å; K142-E189 PolarHBondContact NZ-OE1 2.95Å; K142-E189 IonicContact NZ-OE2 2.65Å; K142-E189 PolarHBondContact NZ-OE2 3.13Å
143	H	98.9	Very high	98.3	Very high	40 Å²	40	25.2 Å²	25.2	19%	0.185	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-39.2	179.7	-62.7	144.9	0	0	0	112.1	I57 L58 E139 A145 V146 R147	I57-H143 HydrophobicContact CG1-CB 4.21Å; I57-H143 VanDerWaalsContact CG1-ND1 3.3Å; I57-H143 WeakPolarHBondContact CG1-ND1 3.4Å; L58-H143 HydrophobicContact CD2-CB 3.96Å; E139-H143 VanDerWaalsContact O-CB 3.31Å; E139-H143 WeakPolarHBondContact O-CB 3.46Å; E139-H143 PolarHBondContact O-N 3.07Å; E139-H143 PolarHBondContact O-ND1 3.18Å; E139-H143 IonicContact OE2-CE1 2.75Å; E139-H143 IonicContact OE2-NE2 3.44Å; H143-A145 PolarHBondContact O-N 3.26Å; H143-V146 PolarHBondContact O-N 2.94Å; H143-R147 WeakPolarHBondContact O-CB 3.28Å; H143-R147 WeakPolarHBondContact O-CG 3.38Å; H143-R147 PolarHBondContact O-N 3.27Å
144	L	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174.3	-180	61.1	0	0	0	111.6	I81 D140 L141 K142 V146 R147 L148 F183 E416	I81-L144 HydrophobicContact CD1-CD2 3.94Å; I81-L144 HydrophobicContact CG1-CD2 4.37Å; I81-L144 HydrophobicContact CG2-CD2 3.82Å; D140-L144 VanDerWaalsContact O-CB 3.3Å; D140-L144 WeakPolarHBondContact O-CB 3.47Å; D140-L144 PolarHBondContact O-N 2.83Å; L141-L144 HydrophobicContact CD1-CD2 4.16Å; L141-L144 PolarHBondContact O-N 3.37Å; K142-L144 PolarHBondContact O-N 3.43Å; L144-V146 VanDerWaalsContact C-N 3.31Å; L144-V146 PolarHBondContact O-N 3.46Å; L144-R147 PolarHBondContact O-N 2.7Å; L144-L148 HydrophobicContact CD1-CD1 4.2Å; L144-L148 HydrophobicContact CD1-CD2 4.46Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CG-CD1 4.22Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.07Å; L144-F183 HydrophobicContact CG-CE2 4.29Å; L144-E416 HydrophobicContact CD1-CG 4Å; L144-E416 WeakPolarHBondContact CD1-OE2 3.48Å
145	A	98.9	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-45	176.2	0	0	0	0	0	111.9	L141 K142 H143 L148 S149 F183 L187	L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.06Å; K142-A145 WeakPolarHBondContact O-CB 3.49Å; K142-A145 PolarHBondContact O-N 3.17Å; H143-A145 PolarHBondContact O-N 3.26Å; A145-L148 PolarHBondContact O-N 3.25Å; A145-S149 WeakPolarHBondContact O-CB 3.25Å; A145-S149 PolarHBondContact O-N 3.34Å; A145-F183 VanDerWaalsContact CA-CE2 3.47Å; A145-F183 HydrophobicContact CB-CB 4.44Å; A145-F183 HydrophobicContact CB-CD1 3.71Å; A145-F183 HydrophobicContact CB-CD2 3.66Å; A145-F183 HydrophobicContact CB-CE1 3.74Å; A145-F183 HydrophobicContact CB-CE2 3.7Å; A145-F183 HydrophobicContact CB-CG 3.67Å; A145-F183 HydrophobicContact CB-CZ 3.75Å; A145-F183 WeakPolarHBondContact CB-O 3.4Å; A145-L187 HydrophobicContact CB-CD2 3.93Å; A145-L187 HydrophobicContact CB-CG 4.02Å
146	V	98.9	Very high	98	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.097	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-46.1	177.3	167	0	0	0	0	111.8	L58 K142 H143 L144 S149 K150 M190	L58-V146 HydrophobicContact CB-CG1 4.41Å; L58-V146 HydrophobicContact CD1-CG1 3.95Å; L58-V146 HydrophobicContact CD2-CB 3.91Å; L58-V146 HydrophobicContact CD2-CG1 3.55Å; L58-V146 HydrophobicContact CG-CG1 4.18Å; K142-V146 WeakPolarHBondContact O-CG2 3.21Å; K142-V146 PolarHBondContact O-N 3.39Å; H143-V146 PolarHBondContact O-N 2.94Å; L144-V146 VanDerWaalsContact C-N 3.31Å; L144-V146 PolarHBondContact O-N 3.46Å; V146-S149 PolarHBondContact O-N 3.22Å; V146-K150 HydrophobicContact CG1-CD 4.28Å; V146-K150 WeakPolarHBondContact O-CG 3.03Å; V146-K150 PolarHBondContact O-N 3.31Å; V146-M190 HydrophobicContact CB-CE 3.52Å; V146-M190 HydrophobicContact CG1-CE 3.39Å; V146-M190 HydrophobicContact CG2-CE 3.48Å; V146-M190 VanDerWaalsContact CG2-CE 3.48Å
147	R	98.8	Very high	98	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-43.9	179.5	-72.8	-167.4	-52.9	-86.2	-3.1	111.7	I57 A59 V60 H143 L144 S149 K150 L151 E416	I57-R147 WeakPolarHBondContact O-CD 3.36Å; I57-R147 PolarHBondContact O-NH1 2.93Å; A59-R147 VanDerWaalsContact O-CD 3.29Å; A59-R147 WeakPolarHBondContact O-CD 3.18Å; V60-R147 HydrophobicContact CG1-CB 3.7Å; V60-R147 HydrophobicContact CG1-CG 3.93Å; V60-R147 WeakPolarHBondContact CG1-O 3.35Å; H143-R147 WeakPolarHBondContact O-CB 3.28Å; H143-R147 WeakPolarHBondContact O-CG 3.38Å; H143-R147 PolarHBondContact O-N 3.27Å; L144-R147 PolarHBondContact O-N 2.7Å; R147-S149 VanDerWaalsContact C-N 3.3Å; R147-S149 PolarHBondContact O-N 3.19Å; R147-K150 PolarHBondContact O-N 2.82Å; R147-K150 VanDerWaalsContact O-N 3.17Å; R147-L151 VanDerWaalsContact O-CB 3.32Å; R147-L151 WeakPolarHBondContact O-CB 3.44Å; R147-L151 PolarHBondContact O-N 3.47Å; R147-E416 WeakPolarHBondContact CB-OE1 3.35Å; R147-E416 WeakPolarHBondContact CD-OE1 3.17Å; R147-E416 IonicContact CZ-OE1 2.87Å; R147-E416 IonicContact CZ-OE2 3.51Å; R147-E416 IonicContact NE-OE1 3.44Å; R147-E416 PolarHBondContact NE-OE1 3.32Å; R147-E416 IonicContact NE-OE2 2.78Å; R147-E416 PolarHBondContact NE-OE2 2.92Å; R147-E416 VanDerWaalsContact NE-OE2 3.09Å; R147-E416 IonicContact NH2-OE1 3.23Å; R147-E416 IonicContact NH2-OE2 3.78Å; R147-E416 PolarHBondContact NH2-OE2 3.47Å
148	L	98.6	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-38.4	175.6	-67.4	-177.7	0	0	0	111.8	A79 L144 A145 L151 F152 I156 F183 V397 E416	A79-L148 HydrophobicContact CB-CD1 4.45Å; L144-L148 HydrophobicContact CD1-CD1 4.2Å; L144-L148 HydrophobicContact CD1-CD2 4.46Å; L144-L148 HydrophobicContact CD1-CG 4.02Å; L144-L148 HydrophobicContact CG-CD1 4.22Å; L144-L148 HydrophobicContact CG-CG 4.4Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.07Å; A145-L148 PolarHBondContact O-N 3.25Å; L148-L151 PolarHBondContact O-N 2.94Å; L148-F152 HydrophobicContact CD2-CE2 4.38Å; L148-F152 PolarHBondContact O-N 3.36Å; L148-I156 HydrophobicContact CB-CD1 3.62Å; L148-F183 HydrophobicContact CD1-CE2 4.05Å; L148-F183 HydrophobicContact CD1-CZ 4.13Å; L148-V397 HydrophobicContact CD1-CG2 4.43Å; L148-V397 HydrophobicContact CD2-CG2 4.14Å; L148-E416 HydrophobicContact CD2-CG 4.24Å
149	S	98.5	Very high	97.9	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-42.7	172.6	-178	0	0	0	0	112.8	A145 V146 R147 L151 F152 P153 I156 W191	A145-S149 WeakPolarHBondContact O-CB 3.25Å; A145-S149 PolarHBondContact O-N 3.34Å; V146-S149 PolarHBondContact O-N 3.22Å; R147-S149 VanDerWaalsContact C-N 3.3Å; R147-S149 PolarHBondContact O-N 3.19Å; S149-L151 VanDerWaalsContact C-N 3.34Å; S149-L151 PolarHBondContact O-N 3.36Å; S149-F152 CarbonylContact O-C 3.56Å; S149-F152 VanDerWaalsContact O-C 3.28Å; S149-F152 PolarHBondContact O-N 3.38Å; S149-P153 WeakPolarHBondContact O-CA 3.48Å; S149-P153 WeakPolarHBondContact O-CB 3.37Å; S149-I156 PolarHBondContact OG-O 3.47Å; S149-W191 WeakPolarHBondContact OG-CZ2 3.39Å
150	K	97.6	Very high	97.9	Very high	91 Å²	91	29.6 Å²	29.6	40%	0.396	15%	0.149	S	C	.	.	H	α-helix	trans	-66.2	-35.6	174.2	-70.8	179.6	178.7	-173.6	0	112.8	L58 V60 R62 V146 R147	L58-K150 PolarHBondContact O-NZ 3.15Å; V60-K150 HydrophobicContact CG1-CB 4.01Å; V60-K150 HydrophobicContact CG2-CB 3.82Å; R62-K150 PolarHBondContact NE-O 2.85Å; V146-K150 HydrophobicContact CG1-CD 4.28Å; V146-K150 WeakPolarHBondContact O-CG 3.03Å; V146-K150 PolarHBondContact O-N 3.31Å; R147-K150 PolarHBondContact O-N 2.82Å; R147-K150 VanDerWaalsContact O-N 3.17Å
151	L	97	Very high	97.8	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-72	-38.2	179.8	-169.1	58.1	0	0	0	110.8	V60 R62 L65 R147 L148 S149 L413	V60-L151 HydrophobicContact CG1-CB 4.49Å; R62-L151 HydrophobicContact CG-CD1 3.79Å; R62-L151 VanDerWaalsContact CZ-O 3.3Å; R62-L151 PolarHBondContact NE-O 3.46Å; R62-L151 PolarHBondContact NH2-O 3.29Å; L65-L151 HydrophobicContact CD1-CD1 3.83Å; L65-L151 HydrophobicContact CD1-CG 4.2Å; L65-L151 HydrophobicContact CD2-CD1 4.36Å; L65-L151 HydrophobicContact CD2-CD2 4.49Å; L65-L151 HydrophobicContact CG-CD1 4.11Å; R147-L151 VanDerWaalsContact O-CB 3.32Å; R147-L151 WeakPolarHBondContact O-CB 3.44Å; R147-L151 PolarHBondContact O-N 3.47Å; L148-L151 PolarHBondContact O-N 2.94Å; S149-L151 VanDerWaalsContact C-N 3.34Å; S149-L151 PolarHBondContact O-N 3.36Å; L151-L413 HydrophobicContact CD2-CD2 4.02Å
152	F	97.3	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-131.6	65	-178.4	-48	-73.8	0	0	0	112.6	L65 E74 L77 L148 S149 T154 I155 I156 V397 V399 F401 L413	L65-F152 HydrophobicContact CD1-CD1 4.31Å; L65-F152 HydrophobicContact CD1-CE1 3.62Å; L65-F152 HydrophobicContact CD1-CZ 4.25Å; L65-F152 HydrophobicContact CD2-CE1 4.06Å; L65-F152 HydrophobicContact CD2-CZ 3.99Å; E74-F152 HydrophobicContact CG-CD1 3.97Å; L77-F152 HydrophobicContact CD1-CB 4.23Å; L77-F152 HydrophobicContact CD1-CD2 3.42Å; L77-F152 VanDerWaalsContact CD1-CD2 3.42Å; L77-F152 HydrophobicContact CD1-CE2 3.84Å; L77-F152 HydrophobicContact CD1-CG 3.85Å; L148-F152 HydrophobicContact CD2-CE2 4.38Å; L148-F152 PolarHBondContact O-N 3.36Å; S149-F152 CarbonylContact O-C 3.56Å; S149-F152 VanDerWaalsContact O-C 3.28Å; S149-F152 PolarHBondContact O-N 3.38Å; F152-T154 VanDerWaalsContact C-N 3.26Å; F152-T154 PolarHBondContact O-N 3.13Å; F152-I155 HydrophobicContact CB-CG2 3.66Å; F152-I155 PolarHBondContact O-N 2.67Å; F152-I155 VanDerWaalsContact O-N 3.16Å; F152-I156 PolarHBondContact O-N 2.89Å; F152-V397 HydrophobicContact CE2-CG1 4.39Å; F152-V399 HydrophobicContact CD1-CG1 4.32Å; F152-V399 HydrophobicContact CE1-CB 4.45Å; F152-V399 HydrophobicContact CE1-CG1 4.16Å; F152-V399 HydrophobicContact CE1-CG2 3.87Å; F152-V399 HydrophobicContact CE2-CG2 4.05Å; F152-V399 HydrophobicContact CZ-CG2 3.61Å; F152-F401 HydrophobicContact CE1-CZ 4.34Å; F152-L413 HydrophobicContact CZ-CD1 4.19Å; F152-L413 HydrophobicContact CZ-CD2 4.31Å
153	P	95.6	Very high	97.7	Very high	56 Å²	56	34.2 Å²	34.2	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.8	-172.3	32	-32.7	0	0	0	113.3	S149 I155	S149-P153 WeakPolarHBondContact O-CA 3.48Å; S149-P153 WeakPolarHBondContact O-CB 3.37Å; P153-I155 VanDerWaalsContact C-N 3.34Å
154	T	93.6	Very high	97.6	Very high	69 Å²	69	33.7 Å²	33.7	42%	0.423	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.4	174.9	49.6	0	0	0	0	112.2	E74 F152 K160	E74-T154 VanDerWaalsContact CD-OG1 3.32Å; E74-T154 PolarHBondContact OE2-OG1 3.46Å; F152-T154 VanDerWaalsContact C-N 3.26Å; F152-T154 PolarHBondContact O-N 3.13Å; T154-K160 PolarHBondContact O-NZ 2.88Å
155	I	95.9	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-36.5	-174.4	-151.8	170.4	0	0	0	113.6	E74 I75 H76 L77 F152 P153 S157 K160 A344 V345	E74-I155 HydrophobicContact CB-CB 4.23Å; E74-I155 HydrophobicContact CB-CD1 4.17Å; E74-I155 HydrophobicContact CB-CG2 4.38Å; I75-I155 VanDerWaalsContact C-CD1 3.5Å; H76-I155 VanDerWaalsContact CA-CD1 3.4Å; H76-I155 VanDerWaalsContact N-CD1 3.34Å; L77-I155 HydrophobicContact CB-CD1 4.18Å; L77-I155 HydrophobicContact CB-CG2 4.17Å; L77-I155 HydrophobicContact CD1-CG2 4.16Å; F152-I155 HydrophobicContact CB-CG2 3.66Å; F152-I155 PolarHBondContact O-N 2.67Å; F152-I155 VanDerWaalsContact O-N 3.16Å; P153-I155 VanDerWaalsContact C-N 3.34Å; I155-S157 PolarHBondContact O-N 3.46Å; I155-K160 HydrophobicContact CG1-CD 4.37Å; I155-K160 WeakPolarHBondContact O-CD 3.26Å; I155-A344 HydrophobicContact CD1-CB 4.46Å; I155-A344 WeakPolarHBondContact CD1-O 3.46Å; I155-A344 HydrophobicContact CG1-CB 3.97Å; I155-V345 HydrophobicContact CB-CG2 4.45Å; I155-V345 HydrophobicContact CG1-CG2 3.86Å; I155-V345 HydrophobicContact CG2-CG2 4.21Å; I155-V345 VanDerWaalsContact O-CG2 3.29Å; I155-V345 WeakPolarHBondContact O-CG2 3.29Å
156	I	98.1	Very high	97.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-98.7	80.7	170.2	-57.7	172.3	0	0	0	107	L77 L148 S149 F152 I166 L187 W191 V345	L77-I156 HydrophobicContact CD1-CD1 4.1Å; L77-I156 HydrophobicContact CD2-CD1 4.36Å; L148-I156 HydrophobicContact CB-CD1 3.62Å; S149-I156 PolarHBondContact OG-O 3.47Å; F152-I156 PolarHBondContact O-N 2.89Å; I156-I166 HydrophobicContact CG2-CD1 4.49Å; I156-L187 HydrophobicContact CG2-CD1 4.29Å; I156-L187 HydrophobicContact CG2-CD2 3.8Å; I156-W191 HydrophobicContact CG2-CH2 4.19Å; I156-W191 WeakPolarHBondContact O-CZ2 3.43Å; I156-V345 HydrophobicContact CG1-CG1 4.26Å; I156-V345 HydrophobicContact CG1-CG2 3.88Å
157	S	98.1	Very high	97.5	Very high	21 Å²	21	40 Å²	40	15%	0.147	22%	0.217	C	C	.	.			trans	-123.7	158.1	-178.2	69.3	0	0	0	0	111.8	I155 E159 K160 L161 W191	I155-S157 PolarHBondContact O-N 3.46Å; S157-E159 VanDerWaalsContact C-N 3.28Å; S157-E159 PolarHBondContact O-N 2.89Å; S157-K160 PolarHBondContact O-N 3.44Å; S157-K160 PolarHBondContact OG-N 3.27Å; S157-L161 PolarHBondContact O-N 3.4Å; S157-W191 WeakPolarHBondContact O-CH2 3.42Å
158	E	98.2	Very high	97.6	Very high	67 Å²	67	40.1 Å²	40.1	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-56.9	-43.5	175	174.3	170.5	-170.3	0	0	111.4	K160 L161 R162 W191 I193	E158-K160 VanDerWaalsContact C-N 3.35Å; E158-K160 PolarHBondContact O-N 2.84Å; E158-L161 PolarHBondContact O-N 3.31Å; E158-R162 HydrophobicContact CG-CG 4.21Å; E158-R162 WeakPolarHBondContact O-CB 3.16Å; E158-R162 WeakPolarHBondContact O-CG 3.45Å; E158-R162 PolarHBondContact O-N 3.3Å; E158-R162 IonicContact OE1-CZ 3.41Å; E158-R162 IonicContact OE1-NE 2.77Å; E158-R162 PolarHBondContact OE1-NE 3.11Å; E158-R162 IonicContact OE1-NH2 3.56Å; E158-R162 PolarHBondContact OE1-NH2 3.02Å; E158-W191 HydrophobicContact CB-CB 4.32Å; E158-W191 HydrophobicContact CB-CD2 3.71Å; E158-W191 HydrophobicContact CB-CE3 3.84Å; E158-W191 HydrophobicContact CB-CG 3.94Å; E158-W191 HydrophobicContact CB-CZ3 4.38Å; E158-W191 HydrophobicContact CG-CB 4.43Å; E158-W191 HydrophobicContact CG-CE3 4.5Å; E158-I193 HydrophobicContact CG-CD1 3.96Å
159	E	97.8	Very high	97.6	Very high	161 Å²	161	40.8 Å²	40.8	75%	0.752	22%	0.22	S	C	*	.	H	α-helix	trans	-55.5	-49	178.2	-176.3	-169.7	169.3	0	0	111.4	S157 R162 G163	S157-E159 VanDerWaalsContact C-N 3.28Å; S157-E159 PolarHBondContact O-N 2.89Å; E159-R162 PolarHBondContact O-N 3.36Å; E159-G163 PolarHBondContact O-N 3.19Å
160	K	97.8	Very high	97.6	Very high	44 Å²	44	40.5 Å²	40.5	19%	0.191	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-34.8	-179.8	-74.7	177.4	170	173.8	0	112	T154 I155 S157 E158 G164 L165 I166 A344	T154-K160 PolarHBondContact O-NZ 2.88Å; I155-K160 HydrophobicContact CG1-CD 4.37Å; I155-K160 WeakPolarHBondContact O-CD 3.26Å; S157-K160 PolarHBondContact O-N 3.44Å; S157-K160 PolarHBondContact OG-N 3.27Å; E158-K160 VanDerWaalsContact C-N 3.35Å; E158-K160 PolarHBondContact O-N 2.84Å; K160-G164 PolarHBondContact O-N 3.34Å; K160-L165 HydrophobicContact CB-CB 4.13Å; K160-L165 HydrophobicContact CB-CD1 4.41Å; K160-L165 HydrophobicContact CG-CB 4.42Å; K160-L165 HydrophobicContact CG-CD1 3.95Å; K160-L165 WeakPolarHBondContact O-CB 3.35Å; K160-L165 PolarHBondContact O-N 3.05Å; K160-I166 HydrophobicContact CB-CG1 4.27Å; K160-A344 HydrophobicContact CD-CB 3.86Å
161	L	98.4	Very high	97.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-52.2	174.7	-176.8	61.7	0	0	0	110.8	S157 E158 G163 G164 I166 F168 L187 T188 W191 I193 F198	S157-L161 PolarHBondContact O-N 3.4Å; E158-L161 PolarHBondContact O-N 3.31Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.9Å; L161-G164 PolarHBondContact O-N 3.45Å; L161-G164 VanDerWaalsContact O-N 3.08Å; L161-I166 HydrophobicContact CB-CD1 3.92Å; L161-I166 HydrophobicContact CB-CG1 4.44Å; L161-I166 HydrophobicContact CD1-CB 4.09Å; L161-I166 HydrophobicContact CD1-CD1 4.23Å; L161-I166 HydrophobicContact CD1-CG1 4.49Å; L161-I166 HydrophobicContact CD1-CG2 4.48Å; L161-F168 HydrophobicContact CD1-CE2 3.76Å; L161-F168 HydrophobicContact CD1-CZ 3.91Å; L161-L187 HydrophobicContact CD2-CB 4.11Å; L161-L187 HydrophobicContact CD2-CD1 4.39Å; L161-T188 HydrophobicContact CD2-CG2 4.3Å; L161-W191 HydrophobicContact CB-CZ3 3.92Å; L161-W191 HydrophobicContact CD2-CE3 3.93Å; L161-W191 HydrophobicContact CD2-CZ3 3.6Å; L161-W191 HydrophobicContact CG-CZ3 4.37Å; L161-I193 HydrophobicContact CD2-CD1 4.05Å; L161-F198 HydrophobicContact CD1-CD1 3.77Å; L161-F198 HydrophobicContact CD1-CD2 4.19Å; L161-F198 HydrophobicContact CD1-CE1 4.06Å; L161-F198 HydrophobicContact CD1-CE2 4.46Å; L161-F198 HydrophobicContact CD1-CG 3.85Å; L161-F198 HydrophobicContact CD1-CZ 4.4Å; L161-F198 HydrophobicContact CD2-CD2 4.05Å; L161-F198 HydrophobicContact CD2-CE1 4.34Å; L161-F198 HydrophobicContact CD2-CE2 3.71Å; L161-F198 HydrophobicContact CD2-CZ 3.87Å; L161-F198 HydrophobicContact CG-CD1 3.86Å; L161-F198 HydrophobicContact CG-CD2 4.14Å; L161-F198 HydrophobicContact CG-CE1 3.61Å; L161-F198 HydrophobicContact CG-CE2 3.9Å; L161-F198 HydrophobicContact CG-CG 4.13Å; L161-F198 HydrophobicContact CG-CZ 3.62Å; L161-F198 VanDerWaalsContact O-CE1 3.25Å; L161-F198 WeakPolarHBondContact O-CE1 3.07Å
162	R	97.9	Very high	97.7	Very high	79 Å²	79	38.4 Å²	38.4	30%	0.298	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-36.9	177.6	-71.8	-176.2	176.4	-85.7	5	112.7	E158 E159 G164 D195 M196 F198	E158-R162 HydrophobicContact CG-CG 4.21Å; E158-R162 WeakPolarHBondContact O-CB 3.16Å; E158-R162 WeakPolarHBondContact O-CG 3.45Å; E158-R162 PolarHBondContact O-N 3.3Å; E158-R162 IonicContact OE1-CZ 3.41Å; E158-R162 IonicContact OE1-NE 2.77Å; E158-R162 PolarHBondContact OE1-NE 3.11Å; E158-R162 IonicContact OE1-NH2 3.56Å; E158-R162 PolarHBondContact OE1-NH2 3.02Å; E159-R162 PolarHBondContact O-N 3.36Å; R162-G164 PolarHBondContact O-N 2.92Å; R162-D195 IonicContact CZ-OD1 2.63Å; R162-D195 IonicContact CZ-OD2 3.6Å; R162-D195 IonicContact NH1-OD1 3.92Å; R162-D195 PolarHBondContact NH1-OD1 3.18Å; R162-D195 IonicContact NH1-OD2 3.02Å; R162-D195 PolarHBondContact NH1-OD2 3.02Å; R162-D195 IonicContact NH2-OD1 3.23Å; R162-D195 PolarHBondContact NH2-OD1 3.44Å; R162-D195 IonicContact NH2-OD2 3.26Å; R162-M196 HydrophobicContact CG-SD 4.36Å; R162-F198 HydrophobicContact CG-CZ 4.34Å
163	G	96.9	Very high	97.7	Very high	54 Å²	54	42 Å²	42	56%	0.557	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.3	174.3	0	0	0	0	0	114.5	E159 L161 L165	E159-G163 PolarHBondContact O-N 3.19Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.9Å; G163-L165 VanDerWaalsContact C-N 3.25Å; G163-L165 PolarHBondContact O-N 3.3Å
164	G	97.3	Very high	97.8	Very high	29 Å²	29	42.6 Å²	42.6	30%	0.299	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	18.5	179.9	0	0	0	0	0	114.2	K160 L161 R162 I166 K167	K160-G164 PolarHBondContact O-N 3.34Å; L161-G164 PolarHBondContact O-N 3.45Å; L161-G164 VanDerWaalsContact O-N 3.08Å; R162-G164 PolarHBondContact O-N 2.92Å; G164-I166 VanDerWaalsContact C-N 3.32Å; G164-K167 WeakPolarHBondContact O-CE 3.39Å; G164-K167 PolarHBondContact O-NZ 3.42Å
165	L	98.1	Very high	98.1	Very high	48 Å²	48	41 Å²	41	25%	0.251	22%	0.215	S	C	.	.			trans	-84.9	-6.3	179.6	-59	173	0	0	0	112.7	K160 G163 N342 A344 V345	K160-L165 HydrophobicContact CB-CB 4.13Å; K160-L165 HydrophobicContact CB-CD1 4.41Å; K160-L165 HydrophobicContact CG-CB 4.42Å; K160-L165 HydrophobicContact CG-CD1 3.95Å; K160-L165 WeakPolarHBondContact O-CB 3.35Å; K160-L165 PolarHBondContact O-N 3.05Å; G163-L165 VanDerWaalsContact C-N 3.25Å; G163-L165 PolarHBondContact O-N 3.3Å; L165-N342 WeakPolarHBondContact CD2-O 3.23Å; L165-A344 HydrophobicContact CB-CB 4.12Å; L165-A344 PolarHBondContact O-N 3.48Å; L165-V345 PolarHBondContact O-N 3.43Å; L165-V345 VanDerWaalsContact O-N 3.11Å
166	I	98.6	Very high	98.2	Very high	10 Å²	10	41 Å²	41	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.5	170.8	-51.8	-169.1	0	0	0	109	I156 K160 L161 G164 F168 V345 V347	I156-I166 HydrophobicContact CG2-CD1 4.49Å; K160-I166 HydrophobicContact CB-CG1 4.27Å; L161-I166 HydrophobicContact CB-CD1 3.92Å; L161-I166 HydrophobicContact CB-CG1 4.44Å; L161-I166 HydrophobicContact CD1-CB 4.09Å; L161-I166 HydrophobicContact CD1-CD1 4.23Å; L161-I166 HydrophobicContact CD1-CG1 4.49Å; L161-I166 HydrophobicContact CD1-CG2 4.48Å; G164-I166 VanDerWaalsContact C-N 3.32Å; I166-F168 HydrophobicContact CB-CE2 4.37Å; I166-F168 HydrophobicContact CB-CZ 4.41Å; I166-F168 HydrophobicContact CG2-CE1 4.02Å; I166-F168 HydrophobicContact CG2-CE2 3.79Å; I166-F168 HydrophobicContact CG2-CZ 3.48Å; I166-F168 VanDerWaalsContact CG2-CZ 3.48Å; I166-V345 CarbonylContact C-O 3.59Å; I166-V345 WeakPolarHBondContact CA-O 3.38Å; I166-V345 HydrophobicContact CB-CB 4.28Å; I166-V345 HydrophobicContact CD1-CB 4.49Å; I166-V345 HydrophobicContact CD1-CG2 4.44Å; I166-V345 HydrophobicContact CG1-CB 3.98Å; I166-V345 HydrophobicContact CG1-CG2 4.21Å; I166-V345 HydrophobicContact CG2-CB 4Å; I166-V345 HydrophobicContact CG2-CG1 4.05Å; I166-V347 HydrophobicContact CG2-CG2 4.48Å
167	K	98.5	Very high	98.3	Very high	91 Å²	91	42.2 Å²	42.2	40%	0.396	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.7	178.4	-57.6	-56.4	-174	-164.5	0	110.9	G164 E343 V345 T346 V347	G164-K167 WeakPolarHBondContact O-CE 3.39Å; G164-K167 PolarHBondContact O-NZ 3.42Å; K167-E343 HydrophobicContact CG-CG 3.81Å; K167-V345 PolarHBondContact N-O 3Å; K167-T346 WeakPolarHBondContact O-CA 3.28Å; K167-V347 PolarHBondContact O-N 2.77Å
168	F	98.9	Very high	98.3	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.1	177.6	-60.1	-81.5	0	0	0	109.9	L161 I166 T180 F183 K184 L187 F198 H200 A201 V347	L161-F168 HydrophobicContact CD1-CE2 3.76Å; L161-F168 HydrophobicContact CD1-CZ 3.91Å; I166-F168 HydrophobicContact CB-CE2 4.37Å; I166-F168 HydrophobicContact CB-CZ 4.41Å; I166-F168 HydrophobicContact CG2-CE1 4.02Å; I166-F168 HydrophobicContact CG2-CE2 3.79Å; I166-F168 HydrophobicContact CG2-CZ 3.48Å; I166-F168 VanDerWaalsContact CG2-CZ 3.48Å; F168-T180 HydrophobicContact CB-CG2 3.95Å; F168-T180 HydrophobicContact CD1-CG2 4.38Å; F168-T180 HydrophobicContact CG-CG2 4.48Å; F168-F183 AromaticContact CE1-CD1 3.83Å; F168-F183 HydrophobicContact CE1-CD1 3.83Å; F168-F183 HydrophobicContact CE1-CE1 4.14Å; F168-K184 HydrophobicContact CD1-CD 4.41Å; F168-K184 HydrophobicContact CD1-CG 3.88Å; F168-K184 HydrophobicContact CD2-CD 4.2Å; F168-K184 HydrophobicContact CD2-CG 4.12Å; F168-K184 HydrophobicContact CE1-CG 3.72Å; F168-K184 HydrophobicContact CE2-CD 4.44Å; F168-K184 HydrophobicContact CE2-CG 3.95Å; F168-K184 HydrophobicContact CG-CD 4.19Å; F168-K184 HydrophobicContact CG-CG 4.09Å; F168-K184 HydrophobicContact CZ-CG 3.74Å; F168-L187 HydrophobicContact CZ-CD1 4.32Å; F168-F198 HydrophobicContact CE2-CB 4.41Å; F168-H200 HydrophobicContact CB-CB 3.66Å; F168-H200 CarbonylContact O-C 3.58Å; F168-H200 VanDerWaalsContact O-CA 3.32Å; F168-H200 WeakPolarHBondContact O-CA 3.15Å; F168-A201 PolarHBondContact O-N 3.26Å; F168-V347 CarbonylContact C-O 3.56Å; F168-V347 WeakPolarHBondContact CA-O 3.24Å; F168-V347 HydrophobicContact CD1-CB 3.79Å; F168-V347 HydrophobicContact CD1-CG1 4.18Å; F168-V347 HydrophobicContact CD1-CG2 4.27Å; F168-V347 HydrophobicContact CE1-CB 4.08Å; F168-V347 HydrophobicContact CE1-CG1 4.47Å; F168-V347 HydrophobicContact CE1-CG2 4.06Å
169	I	98.9	Very high	98.3	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.077	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.8	177.5	-53.9	173.9	0	0	0	108.2	A201 N203 L206 M207 T346 V347 Q348 V349	I169-A201 CarbonylContact C-O 3.56Å; I169-A201 VanDerWaalsContact CA-O 3.32Å; I169-A201 WeakPolarHBondContact CA-O 3.42Å; I169-N203 HydrophobicContact CG2-CB 3.85Å; I169-L206 HydrophobicContact CD1-CD2 4.43Å; I169-L206 HydrophobicContact CG2-CD2 4.42Å; I169-M207 HydrophobicContact CG2-CG 4.14Å; I169-T346 HydrophobicContact CD1-CG2 4.28Å; I169-V347 PolarHBondContact N-O 3.37Å; I169-Q348 HydrophobicContact CB-CG 4.21Å; I169-Q348 HydrophobicContact CD1-CG 4.33Å; I169-Q348 CarbonylContact O-C 3.53Å; I169-Q348 VanDerWaalsContact O-CA 3.32Å; I169-Q348 WeakPolarHBondContact O-CA 3.42Å; I169-V349 PolarHBondContact O-N 2.78Å
170	T	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.4	-178.5	-161.9	0	0	0	0	111.8	C176 V177 T180 A201 V202 N203 V349	T170-C176 PolarHBondContact OG1-O 3.29Å; T170-V177 HydrophobicContact CG2-CG2 3.97Å; T170-V177 PolarHBondContact OG1-N 3.13Å; T170-T180 WeakPolarHBondContact CB-OG1 3.41Å; T170-T180 PolarHBondContact OG1-OG1 3.12Å; T170-A201 PolarHBondContact N-O 3.02Å; T170-V202 HydrophobicContact CG2-CG2 3.99Å; T170-V202 CarbonylContact O-C 3.53Å; T170-V202 WeakPolarHBondContact O-CA 3.23Å; T170-N203 PolarHBondContact O-N 2.88Å; T170-V349 WeakPolarHBondContact CA-O 3.42Å; T170-V349 PolarHBondContact OG1-O 3.09Å
171	S	98.6	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.			trans	-73.7	159.6	163.8	77.3	0	0	0	0	111.5	K173 C176 V177 D204 V349 H351	S171-K173 PolarHBondContact O-N 3.42Å; S171-K173 VanDerWaalsContact O-N 3.13Å; S171-C176 WeakPolarHBondContact OG-CB 3.38Å; S171-C176 PolarHBondContact OG-SG 2.87Å; S171-V177 WeakPolarHBondContact O-CG2 3.3Å; S171-D204 WeakPolarHBondContact CA-OD1 3.39Å; S171-V349 PolarHBondContact N-O 3.41Å; S171-V349 VanDerWaalsContact N-O 3.07Å; S171-H351 PolarHBondContact OG-NE2 2.65Å
172	S	98.3	Very high	98.5	Very high	53 Å²	53	35.2 Å²	35.2	37%	0.371	19%	0.194	S	C	.	.	S	Bend	trans	-67	-10.8	179.5	65.3	0	0	0	0	114.6	H174 D204	S172-H174 PolarHBondContact O-N 3.17Å; S172-D204 WeakPolarHBondContact CB-OD1 3.23Å; S172-D204 WeakPolarHBondContact CB-OD2 3.44Å; S172-D204 PolarHBondContact N-OD1 2.54Å; S172-D204 VanDerWaalsContact OG-CG 3.24Å; S172-D204 PolarHBondContact OG-OD1 3.42Å; S172-D204 PolarHBondContact OG-OD2 2.75Å
173	K	98.1	Very high	98.5	Very high	75 Å²	75	31.5 Å²	31.5	33%	0.326	18%	0.18	S	C	.	.	S	Bend	trans	-68.9	131.1	-179.6	-66	-56.5	-179.3	-173.8	0	110.4	S171 R175 C176 V177	S171-K173 PolarHBondContact O-N 3.42Å; S171-K173 VanDerWaalsContact O-N 3.13Å; K173-R175 HydrophobicContact CB-CG 4.21Å; K173-R175 PolarHBondContact O-N 3.16Å; K173-C176 WeakPolarHBondContact O-CA 3.42Å; K173-C176 WeakPolarHBondContact O-CB 3.37Å; K173-C176 PolarHBondContact O-N 2.91Å; K173-V177 PolarHBondContact O-N 3.24Å
174	H	98.1	Very high	98.6	Very high	68 Å²	68	30.2 Å²	30.2	32%	0.315	16%	0.159	S	C	.	.	H	α-helix	trans	-46.8	-41.6	-179.7	59.9	-73.8	0	0	0	113.6	D130 R132 S172 C176 V177 N178	D130-H174 PolarHBondContact O-CE1 2.77Å; D130-H174 PolarHBondContact O-NE2 2.88Å; R132-H174 VanDerWaalsContact CA-NE2 3.35Å; R132-H174 WeakPolarHBondContact CA-NE2 3.36Å; R132-H174 WeakPolarHBondContact CG-NE2 3.3Å; R132-H174 PolarHBondContact N-NE2 2.85Å; S172-H174 PolarHBondContact O-N 3.17Å; H174-C176 VanDerWaalsContact C-N 3.34Å; H174-C176 PolarHBondContact O-N 2.96Å; H174-V177 PolarHBondContact O-N 2.79Å; H174-N178 VanDerWaalsContact O-CB 3.26Å; H174-N178 WeakPolarHBondContact O-CB 3.4Å; H174-N178 PolarHBondContact O-N 3.05Å; H174-N178 PolarHBondContact O-OD1 2.86Å
175	R	98.5	Very high	98.7	Very high	35 Å²	35	29.8 Å²	29.8	13%	0.132	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-32.9	176.3	60.4	-178.3	171.7	-85	0	114.3	H83 G131 K173 S179	H83-R175 HydrophobicContact CB-CG 4.43Å; G131-R175 WeakPolarHBondContact O-CB 3.29Å; G131-R175 WeakPolarHBondContact O-CD 3.47Å; K173-R175 HydrophobicContact CB-CG 4.21Å; K173-R175 PolarHBondContact O-N 3.16Å; R175-S179 VanDerWaalsContact O-CB 3.23Å; R175-S179 WeakPolarHBondContact O-CB 3.41Å; R175-S179 PolarHBondContact O-N 2.7Å; R175-S179 VanDerWaalsContact O-N 3.12Å; R175-S179 PolarHBondContact O-OG 3.27Å
176	C	98.8	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-78.9	-44.8	176.7	-64.2	0	0	0	0	110.4	T170 S171 K173 H174 N178 S179 T180 V349 G350 H351	T170-C176 PolarHBondContact OG1-O 3.29Å; S171-C176 WeakPolarHBondContact OG-CB 3.38Å; S171-C176 PolarHBondContact OG-SG 2.87Å; K173-C176 WeakPolarHBondContact O-CA 3.42Å; K173-C176 WeakPolarHBondContact O-CB 3.37Å; K173-C176 PolarHBondContact O-N 2.91Å; H174-C176 VanDerWaalsContact C-N 3.34Å; H174-C176 PolarHBondContact O-N 2.96Å; C176-N178 PolarHBondContact O-N 2.92Å; C176-S179 WeakPolarHBondContact O-CB 3.4Å; C176-S179 PolarHBondContact O-N 3.14Å; C176-S179 VanDerWaalsContact O-N 3.13Å; C176-T180 PolarHBondContact O-N 2.71Å; C176-T180 PolarHBondContact O-OG1 2.84Å; C176-T180 VanDerWaalsContact O-OG1 3.08Å; C176-V349 HydrophobicContact CB-CG1 4.2Å; C176-G350 PolarHBondContact SG-O 3.47Å; C176-H351 PolarHBondContact SG-CE1 3.16Å
177	V	98.9	Very high	98.7	Very high	29 Å²	29	27.1 Å²	27.1	18%	0.176	14%	0.139	C	C	.	.	H	α-helix	trans	-55.7	-52.2	172.9	177.5	0	0	0	0	110.4	T170 S171 K173 H174 S179 T180 L181	T170-V177 HydrophobicContact CG2-CG2 3.97Å; T170-V177 PolarHBondContact OG1-N 3.13Å; S171-V177 WeakPolarHBondContact O-CG2 3.3Å; K173-V177 PolarHBondContact O-N 3.24Å; H174-V177 PolarHBondContact O-N 2.79Å; V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 3.29Å; V177-T180 WeakPolarHBondContact O-CB 3.17Å; V177-T180 PolarHBondContact O-N 3.3Å; V177-T180 VanDerWaalsContact O-N 3.09Å; V177-L181 HydrophobicContact CG1-CD1 4.26Å; V177-L181 HydrophobicContact CG1-CG 4.5Å; V177-L181 WeakPolarHBondContact O-CG 3.24Å; V177-L181 PolarHBondContact O-N 2.9Å
178	N	98.8	Very high	98.7	Very high	67 Å²	67	24 Å²	24	36%	0.358	13%	0.128	S	C	.	.	H	α-helix	trans	-63.1	-32.7	178.6	-69.2	-2.5	0	0	0	112.4	L133 H174 C176 L181 S182	L133-N178 HydrophobicContact CB-CB 4.23Å; L133-N178 HydrophobicContact CD2-CB 3.72Å; H174-N178 VanDerWaalsContact O-CB 3.26Å; H174-N178 WeakPolarHBondContact O-CB 3.4Å; H174-N178 PolarHBondContact O-N 3.05Å; H174-N178 PolarHBondContact O-OD1 2.86Å; C176-N178 PolarHBondContact O-N 2.92Å; N178-L181 PolarHBondContact O-N 2.84Å; N178-S182 WeakPolarHBondContact O-CB 3.39Å; N178-S182 PolarHBondContact O-N 2.84Å; N178-S182 PolarHBondContact O-OG 2.91Å
179	S	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-42.1	173.8	-69.4	0	0	0	0	111.4	H83 G84 L133 R175 C176 V177 S182 F183	H83-S179 WeakPolarHBondContact CA-OG 2.93Å; H83-S179 WeakPolarHBondContact CB-OG 3.29Å; G84-S179 PolarHBondContact N-OG 2.97Å; L133-S179 WeakPolarHBondContact CD1-OG 3.32Å; R175-S179 VanDerWaalsContact O-CB 3.23Å; R175-S179 WeakPolarHBondContact O-CB 3.41Å; R175-S179 PolarHBondContact O-N 2.7Å; R175-S179 VanDerWaalsContact O-N 3.12Å; R175-S179 PolarHBondContact O-OG 3.27Å; C176-S179 WeakPolarHBondContact O-CB 3.4Å; C176-S179 PolarHBondContact O-N 3.14Å; C176-S179 VanDerWaalsContact O-N 3.13Å; V177-S179 VanDerWaalsContact C-N 3.26Å; V177-S179 PolarHBondContact O-N 3.29Å; S179-S182 PolarHBondContact O-N 3.38Å; S179-F183 PolarHBondContact O-N 3.47Å
180	T	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-44.8	173.4	-55.9	0	0	0	0	111.5	F168 T170 C176 V177 S182 F183 K184 H200 V349	F168-T180 HydrophobicContact CB-CG2 3.95Å; F168-T180 HydrophobicContact CD1-CG2 4.38Å; F168-T180 HydrophobicContact CG-CG2 4.48Å; T170-T180 WeakPolarHBondContact CB-OG1 3.41Å; T170-T180 PolarHBondContact OG1-OG1 3.12Å; C176-T180 PolarHBondContact O-N 2.71Å; C176-T180 PolarHBondContact O-OG1 2.84Å; C176-T180 VanDerWaalsContact O-OG1 3.08Å; V177-T180 WeakPolarHBondContact O-CB 3.17Å; V177-T180 PolarHBondContact O-N 3.3Å; V177-T180 VanDerWaalsContact O-N 3.09Å; T180-S182 VanDerWaalsContact C-N 3.3Å; T180-S182 PolarHBondContact O-N 3.35Å; T180-F183 PolarHBondContact O-N 3.28Å; T180-K184 HydrophobicContact CG2-CD 4.38Å; T180-K184 WeakPolarHBondContact O-CG 3.36Å; T180-K184 PolarHBondContact O-N 3.26Å; T180-H200 HydrophobicContact CG2-CB 4.08Å; T180-V349 VanDerWaalsContact OG1-CB 3.31Å; T180-V349 WeakPolarHBondContact OG1-CB 3.38Å; T180-V349 VanDerWaalsContact OG1-CG2 3.29Å; T180-V349 WeakPolarHBondContact OG1-CG2 3.48Å
181	L	98.9	Very high	98.6	Very high	72 Å²	72	34.1 Å²	34.1	38%	0.377	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-40.8	175	-65.3	176.7	0	0	0	111.5	V177 N178 K184 A185	V177-L181 HydrophobicContact CG1-CD1 4.26Å; V177-L181 HydrophobicContact CG1-CG 4.5Å; V177-L181 WeakPolarHBondContact O-CG 3.24Å; V177-L181 PolarHBondContact O-N 2.9Å; N178-L181 PolarHBondContact O-N 2.84Å; L181-K184 PolarHBondContact O-N 2.87Å; L181-A185 WeakPolarHBondContact O-CB 3.42Å; L181-A185 PolarHBondContact O-N 2.89Å
182	S	98.9	Very high	98.6	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-40	177.5	-55.9	0	0	0	0	112.2	V138 K142 N178 S179 T180 A185 G186	V138-S182 WeakPolarHBondContact O-CB 3.24Å; K142-S182 WeakPolarHBondContact CG-O 3.22Å; N178-S182 WeakPolarHBondContact O-CB 3.39Å; N178-S182 PolarHBondContact O-N 2.84Å; N178-S182 PolarHBondContact O-OG 2.91Å; S179-S182 PolarHBondContact O-N 3.38Å; T180-S182 VanDerWaalsContact C-N 3.3Å; T180-S182 PolarHBondContact O-N 3.35Å; S182-A185 WeakPolarHBondContact O-CB 3.25Å; S182-A185 PolarHBondContact O-N 3.36Å; S182-G186 PolarHBondContact O-N 2.86Å
183	F	98.9	Very high	98.6	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-47	174.6	-171	-77	0	0	0	111.2	I81 L141 L144 A145 L148 F168 S179 T180 A185 G186 L187 V347	I81-F183 HydrophobicContact CD1-CD2 3.95Å; I81-F183 HydrophobicContact CD1-CE2 3.68Å; L141-F183 HydrophobicContact CB-CB 4.36Å; L141-F183 HydrophobicContact CD1-CD2 4.36Å; L144-F183 HydrophobicContact CG-CE2 4.29Å; A145-F183 VanDerWaalsContact CA-CE2 3.47Å; A145-F183 HydrophobicContact CB-CB 4.44Å; A145-F183 HydrophobicContact CB-CD1 3.71Å; A145-F183 HydrophobicContact CB-CD2 3.66Å; A145-F183 HydrophobicContact CB-CE1 3.74Å; A145-F183 HydrophobicContact CB-CE2 3.7Å; A145-F183 HydrophobicContact CB-CG 3.67Å; A145-F183 HydrophobicContact CB-CZ 3.75Å; A145-F183 WeakPolarHBondContact CB-O 3.4Å; L148-F183 HydrophobicContact CD1-CE2 4.05Å; L148-F183 HydrophobicContact CD1-CZ 4.13Å; F168-F183 AromaticContact CE1-CD1 3.83Å; F168-F183 HydrophobicContact CE1-CD1 3.83Å; F168-F183 HydrophobicContact CE1-CE1 4.14Å; S179-F183 PolarHBondContact O-N 3.47Å; T180-F183 PolarHBondContact O-N 3.28Å; F183-A185 VanDerWaalsContact C-N 3.33Å; F183-A185 PolarHBondContact O-N 3.19Å; F183-G186 PolarHBondContact O-N 3.31Å; F183-L187 HydrophobicContact CD1-CD1 4.39Å; F183-L187 HydrophobicContact CE1-CD1 3.98Å; F183-L187 HydrophobicContact CE1-CG 4.32Å; F183-L187 PolarHBondContact O-N 2.86Å; F183-V347 HydrophobicContact CD1-CG1 4.15Å; F183-V347 HydrophobicContact CD1-CG2 4.48Å; F183-V347 HydrophobicContact CD2-CG1 4.42Å; F183-V347 HydrophobicContact CE1-CG1 4.12Å; F183-V347 HydrophobicContact CE1-CG2 3.8Å; F183-V347 HydrophobicContact CE2-CG1 4.38Å; F183-V347 HydrophobicContact CG-CG1 4.3Å; F183-V347 HydrophobicContact CZ-CG1 4.23Å; F183-V347 HydrophobicContact CZ-CG2 4.02Å
184	K	98.9	Very high	98.5	Very high	26 Å²	26	38.8 Å²	38.8	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-45.7	174.5	-69.7	167.2	66.2	-142.3	0	111.3	F168 T180 L181 G186 L187 T188 F198	F168-K184 HydrophobicContact CD1-CD 4.41Å; F168-K184 HydrophobicContact CD1-CG 3.88Å; F168-K184 HydrophobicContact CD2-CD 4.2Å; F168-K184 HydrophobicContact CD2-CG 4.12Å; F168-K184 HydrophobicContact CE1-CG 3.72Å; F168-K184 HydrophobicContact CE2-CD 4.44Å; F168-K184 HydrophobicContact CE2-CG 3.95Å; F168-K184 HydrophobicContact CG-CD 4.19Å; F168-K184 HydrophobicContact CG-CG 4.09Å; F168-K184 HydrophobicContact CZ-CG 3.74Å; T180-K184 HydrophobicContact CG2-CD 4.38Å; T180-K184 WeakPolarHBondContact O-CG 3.36Å; T180-K184 PolarHBondContact O-N 3.26Å; L181-K184 PolarHBondContact O-N 2.87Å; K184-G186 VanDerWaalsContact C-N 3.27Å; K184-G186 PolarHBondContact O-N 2.78Å; K184-L187 PolarHBondContact O-N 2.81Å; K184-L187 VanDerWaalsContact O-N 3.11Å; K184-T188 PolarHBondContact O-N 2.99Å; K184-T188 PolarHBondContact O-OG1 2.96Å; K184-F198 WeakPolarHBondContact CE-O 3.09Å; K184-F198 PolarHBondContact NZ-O 2.88Å
185	A	98.8	Very high	98.5	Very high	21 Å²	21	40.8 Å²	40.8	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-40.3	177	0	0	0	0	0	111.8	K142 L181 S182 F183 L187 T188 E189	K142-A185 HydrophobicContact CG-CB 4.49Å; L181-A185 WeakPolarHBondContact O-CB 3.42Å; L181-A185 PolarHBondContact O-N 2.89Å; S182-A185 WeakPolarHBondContact O-CB 3.25Å; S182-A185 PolarHBondContact O-N 3.36Å; F183-A185 VanDerWaalsContact C-N 3.33Å; F183-A185 PolarHBondContact O-N 3.19Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 3.01Å; A185-T188 WeakPolarHBondContact CA-OG1 3.35Å; A185-T188 PolarHBondContact O-N 2.91Å; A185-T188 PolarHBondContact O-OG1 3.1Å; A185-E189 WeakPolarHBondContact O-CB 3.46Å; A185-E189 WeakPolarHBondContact O-CG 3.05Å; A185-E189 PolarHBondContact O-N 2.85Å
186	G	98.8	Very high	98.4	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-38.5	175.7	0	0	0	0	0	113.6	S182 F183 K184 M190	S182-G186 PolarHBondContact O-N 2.86Å; F183-G186 PolarHBondContact O-N 3.31Å; K184-G186 VanDerWaalsContact C-N 3.27Å; K184-G186 PolarHBondContact O-N 2.78Å; G186-M190 WeakPolarHBondContact O-CB 3.33Å; G186-M190 PolarHBondContact O-N 3.27Å
187	L	98.7	Very high	98.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.2	-48.8	174.6	-62	-176.6	0	0	0	111.9	A145 I156 L161 F168 F183 K184 A185 E189 M190 W191	A145-L187 HydrophobicContact CB-CD2 3.93Å; A145-L187 HydrophobicContact CB-CG 4.02Å; I156-L187 HydrophobicContact CG2-CD1 4.29Å; I156-L187 HydrophobicContact CG2-CD2 3.8Å; L161-L187 HydrophobicContact CD2-CB 4.11Å; L161-L187 HydrophobicContact CD2-CD1 4.39Å; F168-L187 HydrophobicContact CZ-CD1 4.32Å; F183-L187 HydrophobicContact CD1-CD1 4.39Å; F183-L187 HydrophobicContact CE1-CD1 3.98Å; F183-L187 HydrophobicContact CE1-CG 4.32Å; F183-L187 PolarHBondContact O-N 2.86Å; K184-L187 PolarHBondContact O-N 2.81Å; K184-L187 VanDerWaalsContact O-N 3.11Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 3.01Å; L187-E189 PolarHBondContact O-N 3.26Å; L187-M190 PolarHBondContact O-N 2.98Å; L187-W191 HydrophobicContact CB-CE3 4.08Å; L187-W191 HydrophobicContact CB-CH2 4.34Å; L187-W191 HydrophobicContact CB-CZ3 3.76Å; L187-W191 HydrophobicContact CD1-CH2 4.46Å; L187-W191 HydrophobicContact CD1-CZ3 4.28Å; L187-W191 HydrophobicContact CD2-CH2 4.01Å; L187-W191 HydrophobicContact CD2-CZ3 4.3Å; L187-W191 HydrophobicContact CG-CH2 4.5Å; L187-W191 HydrophobicContact CG-CZ3 4.33Å; L187-W191 PolarHBondContact O-N 3.24Å; L187-W191 VanDerWaalsContact O-N 3.13Å
188	T	98.6	Very high	98.1	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.16	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-36.9	-176.5	55.1	0	0	0	0	112.2	L161 K184 A185 W191 A192 I193 F198	L161-T188 HydrophobicContact CD2-CG2 4.3Å; K184-T188 PolarHBondContact O-N 2.99Å; K184-T188 PolarHBondContact O-OG1 2.96Å; A185-T188 WeakPolarHBondContact CA-OG1 3.35Å; A185-T188 PolarHBondContact O-N 2.91Å; A185-T188 PolarHBondContact O-OG1 3.1Å; T188-W191 CarbonylContact O-C 3.52Å; T188-W191 PolarHBondContact O-N 2.04Å; T188-A192 CarbonylContact O-C 3.28Å; T188-A192 WeakPolarHBondContact O-CA 3.21Å; T188-A192 PolarHBondContact O-N 2.74Å; T188-I193 HydrophobicContact CG2-CB 4.18Å; T188-I193 HydrophobicContact CG2-CD1 4.47Å; T188-I193 HydrophobicContact CG2-CG2 4.46Å; T188-I193 PolarHBondContact O-N 3.23Å; T188-F198 HydrophobicContact CG2-CD2 3.85Å; T188-F198 HydrophobicContact CG2-CE2 3.65Å
189	E	98.4	Very high	98	Very high	112 Å²	112	54.3 Å²	54.3	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-67.8	-41.1	174.9	-71.8	169.7	-165.7	0	0	111.4	K142 A185 L187 W191 A192	K142-E189 WeakPolarHBondContact CE-OE1 3.27Å; K142-E189 WeakPolarHBondContact CE-OE2 3.31Å; K142-E189 IonicContact NZ-OE1 2.98Å; K142-E189 PolarHBondContact NZ-OE1 2.95Å; K142-E189 IonicContact NZ-OE2 2.65Å; K142-E189 PolarHBondContact NZ-OE2 3.13Å; A185-E189 WeakPolarHBondContact O-CB 3.46Å; A185-E189 WeakPolarHBondContact O-CG 3.05Å; A185-E189 PolarHBondContact O-N 2.85Å; L187-E189 PolarHBondContact O-N 3.26Å; E189-W191 VanDerWaalsContact C-N 3.27Å; E189-W191 PolarHBondContact O-N 3.39Å; E189-A192 PolarHBondContact O-N 3.38Å
190	M	98.2	Very high	98	Very high	73 Å²	73	56.9 Å²	56.9	36%	0.36	30%	0.3	S	S	.	.	H	α-helix	trans	-57.7	-42.3	175.5	-178.8	-166.5	-57.7	0	0	111.8	V146 G186 L187	V146-M190 HydrophobicContact CB-CE 3.52Å; V146-M190 HydrophobicContact CG1-CE 3.39Å; V146-M190 HydrophobicContact CG2-CE 3.48Å; V146-M190 VanDerWaalsContact CG2-CE 3.48Å; G186-M190 WeakPolarHBondContact O-CB 3.33Å; G186-M190 PolarHBondContact O-N 3.27Å; L187-M190 PolarHBondContact O-N 2.98Å
191	W	98.6	Very high	98	Very high	47 Å²	47	59.4 Å²	59.4	18%	0.178	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	9.1	-176.2	-58.8	-39.8	0	0	0	113.6	S149 I156 S157 E158 L161 L187 T188 E189 I193	S149-W191 WeakPolarHBondContact OG-CZ2 3.39Å; I156-W191 HydrophobicContact CG2-CH2 4.19Å; I156-W191 WeakPolarHBondContact O-CZ2 3.43Å; S157-W191 WeakPolarHBondContact O-CH2 3.42Å; E158-W191 HydrophobicContact CB-CB 4.32Å; E158-W191 HydrophobicContact CB-CD2 3.71Å; E158-W191 HydrophobicContact CB-CE3 3.84Å; E158-W191 HydrophobicContact CB-CG 3.94Å; E158-W191 HydrophobicContact CB-CZ3 4.38Å; E158-W191 HydrophobicContact CG-CB 4.43Å; E158-W191 HydrophobicContact CG-CE3 4.5Å; L161-W191 HydrophobicContact CB-CZ3 3.92Å; L161-W191 HydrophobicContact CD2-CE3 3.93Å; L161-W191 HydrophobicContact CD2-CZ3 3.6Å; L161-W191 HydrophobicContact CG-CZ3 4.37Å; L187-W191 HydrophobicContact CB-CE3 4.08Å; L187-W191 HydrophobicContact CB-CH2 4.34Å; L187-W191 HydrophobicContact CB-CZ3 3.76Å; L187-W191 HydrophobicContact CD1-CH2 4.46Å; L187-W191 HydrophobicContact CD1-CZ3 4.28Å; L187-W191 HydrophobicContact CD2-CH2 4.01Å; L187-W191 HydrophobicContact CD2-CZ3 4.3Å; L187-W191 HydrophobicContact CG-CH2 4.5Å; L187-W191 HydrophobicContact CG-CZ3 4.33Å; L187-W191 PolarHBondContact O-N 3.24Å; L187-W191 VanDerWaalsContact O-N 3.13Å; T188-W191 CarbonylContact O-C 3.52Å; T188-W191 PolarHBondContact O-N 2.04Å; E189-W191 VanDerWaalsContact C-N 3.27Å; E189-W191 PolarHBondContact O-N 3.39Å; W191-I193 HydrophobicContact CB-CD1 4.03Å; W191-I193 HydrophobicContact CB-CG1 3.86Å; W191-I193 HydrophobicContact CE3-CD1 3.99Å; W191-I193 PolarHBondContact O-N 3.42Å; W191-I193 VanDerWaalsContact O-N 3.15Å
192	A	98.3	Very high	98	Very high	77 Å²	77	59.9 Å²	59.9	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.7	-178.1	0	0	0	0	0	114.6	T188 E189 T194	T188-A192 CarbonylContact O-C 3.28Å; T188-A192 WeakPolarHBondContact O-CA 3.21Å; T188-A192 PolarHBondContact O-N 2.74Å; E189-A192 PolarHBondContact O-N 3.38Å; A192-T194 PolarHBondContact O-N 3.09Å
193	I	98.2	Very high	98	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.056	34%	0.339	C	S	.	.			trans	-76.4	113.4	178.2	-55.1	176.7	0	0	0	108.7	E158 L161 T188 W191 M196 F198	E158-I193 HydrophobicContact CG-CD1 3.96Å; L161-I193 HydrophobicContact CD2-CD1 4.05Å; T188-I193 HydrophobicContact CG2-CB 4.18Å; T188-I193 HydrophobicContact CG2-CD1 4.47Å; T188-I193 HydrophobicContact CG2-CG2 4.46Å; T188-I193 PolarHBondContact O-N 3.23Å; W191-I193 HydrophobicContact CB-CD1 4.03Å; W191-I193 HydrophobicContact CB-CG1 3.86Å; W191-I193 HydrophobicContact CE3-CD1 3.99Å; W191-I193 PolarHBondContact O-N 3.42Å; W191-I193 VanDerWaalsContact O-N 3.15Å; I193-M196 HydrophobicContact CG2-CB 4.19Å; I193-F198 HydrophobicContact CD1-CE2 4.35Å; I193-F198 HydrophobicContact CD1-CZ 4.32Å; I193-F198 HydrophobicContact CG2-CE2 4.04Å; I193-F198 HydrophobicContact CG2-CZ 4.27Å
194	T	96.4	Very high	98	Very high	138 Å²	138	64.5 Å²	64.5	85%	0.847	35%	0.351	S	S	*	.			trans	-125	-7.1	179.5	54.4	0	0	0	0	112.9	A192	A192-T194 PolarHBondContact O-N 3.09Å
195	D	97.1	Very high	97.9	Very high	110 Å²	110	65.8 Å²	65.8	59%	0.588	37%	0.366	S	S	*	.	S	Bend	trans	-99.2	-3.7	-172.1	61.8	-53.2	0	0	0	113.6	R162	R162-D195 IonicContact CZ-OD1 2.63Å; R162-D195 IonicContact CZ-OD2 3.6Å; R162-D195 IonicContact NH1-OD1 3.92Å; R162-D195 PolarHBondContact NH1-OD1 3.18Å; R162-D195 IonicContact NH1-OD2 3.02Å; R162-D195 PolarHBondContact NH1-OD2 3.02Å; R162-D195 IonicContact NH2-OD1 3.23Å; R162-D195 PolarHBondContact NH2-OD1 3.44Å; R162-D195 IonicContact NH2-OD2 3.26Å
196	M	96.2	Very high	97.8	Very high	78 Å²	78	65 Å²	65	38%	0.384	36%	0.359	S	S	.	.			trans	-146.1	138.5	-172.3	-170.4	173.9	-67	0	0	112.8	R162 I193 F198	R162-M196 HydrophobicContact CG-SD 4.36Å; I193-M196 HydrophobicContact CG2-CB 4.19Å; M196-F198 HydrophobicContact CB-CE2 4.49Å; M196-F198 HydrophobicContact CB-CZ 4.15Å; M196-F198 HydrophobicContact CG-CE1 3.98Å; M196-F198 HydrophobicContact CG-CE2 4.44Å; M196-F198 HydrophobicContact CG-CZ 3.88Å; M196-F198 HydrophobicContact SD-CD1 4.44Å; M196-F198 HydrophobicContact SD-CE1 3.5Å; M196-F198 WeakPolarHBondContact SD-CE1 3.3Å; M196-F198 HydrophobicContact SD-CZ 3.69Å
197	E	94.6	Very high	97.8	Very high	166 Å²	166	64.9 Å²	64.9	78%	0.776	36%	0.358	S	S	*	.			trans	-106	135.4	169.9	-66.2	-168.5	168.5	0	0	111.4
198	F	97.5	Very high	97.8	Very high	21 Å²	21	66.1 Å²	66.1	9%	0.092	36%	0.363	C	S	.	.			trans	-98.1	136.4	178.1	-57	-78	0	0	0	110.5	L161 R162 F168 K184 T188 I193 M196	L161-F198 HydrophobicContact CD1-CD1 3.77Å; L161-F198 HydrophobicContact CD1-CD2 4.19Å; L161-F198 HydrophobicContact CD1-CE1 4.06Å; L161-F198 HydrophobicContact CD1-CE2 4.46Å; L161-F198 HydrophobicContact CD1-CG 3.85Å; L161-F198 HydrophobicContact CD1-CZ 4.4Å; L161-F198 HydrophobicContact CD2-CD2 4.05Å; L161-F198 HydrophobicContact CD2-CE1 4.34Å; L161-F198 HydrophobicContact CD2-CE2 3.71Å; L161-F198 HydrophobicContact CD2-CZ 3.87Å; L161-F198 HydrophobicContact CG-CD1 3.86Å; L161-F198 HydrophobicContact CG-CD2 4.14Å; L161-F198 HydrophobicContact CG-CE1 3.61Å; L161-F198 HydrophobicContact CG-CE2 3.9Å; L161-F198 HydrophobicContact CG-CG 4.13Å; L161-F198 HydrophobicContact CG-CZ 3.62Å; L161-F198 VanDerWaalsContact O-CE1 3.25Å; L161-F198 WeakPolarHBondContact O-CE1 3.07Å; R162-F198 HydrophobicContact CG-CZ 4.34Å; F168-F198 HydrophobicContact CE2-CB 4.41Å; K184-F198 WeakPolarHBondContact CE-O 3.09Å; K184-F198 PolarHBondContact NZ-O 2.88Å; T188-F198 HydrophobicContact CG2-CD2 3.85Å; T188-F198 HydrophobicContact CG2-CE2 3.65Å; I193-F198 HydrophobicContact CD1-CE2 4.35Å; I193-F198 HydrophobicContact CD1-CZ 4.32Å; I193-F198 HydrophobicContact CG2-CE2 4.04Å; I193-F198 HydrophobicContact CG2-CZ 4.27Å; M196-F198 HydrophobicContact CB-CE2 4.49Å; M196-F198 HydrophobicContact CB-CZ 4.15Å; M196-F198 HydrophobicContact CG-CE1 3.98Å; M196-F198 HydrophobicContact CG-CE2 4.44Å; M196-F198 HydrophobicContact CG-CZ 3.88Å; M196-F198 HydrophobicContact SD-CD1 4.44Å; M196-F198 HydrophobicContact SD-CE1 3.5Å; M196-F198 WeakPolarHBondContact SD-CE1 3.3Å; M196-F198 HydrophobicContact SD-CZ 3.69Å
199	Q	97.2	Very high	97.7	Very high	150 Å²	150	64.9 Å²	64.9	70%	0.701	36%	0.355	S	S	*	.			trans	-82.6	160	180	-63.3	-59.3	-36	0	0	111.9
200	H	98.5	Very high	97.6	Very high	54 Å²	54	60 Å²	60	25%	0.25	33%	0.332	C	S	.	.			trans	-136.9	150	170.3	64.8	-80.8	0	0	0	109.9	F168 T180	F168-H200 HydrophobicContact CB-CB 3.66Å; F168-H200 CarbonylContact O-C 3.58Å; F168-H200 VanDerWaalsContact O-CA 3.32Å; F168-H200 WeakPolarHBondContact O-CA 3.15Å; T180-H200 HydrophobicContact CG2-CB 4.08Å
201	A	98.6	Very high	97.4	Very high	53 Å²	53	59.7 Å²	59.7	44%	0.438	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.5	175.9	0	0	0	0	0	110.5	F168 I169 T170	F168-A201 PolarHBondContact O-N 3.26Å; I169-A201 CarbonylContact C-O 3.56Å; I169-A201 VanDerWaalsContact CA-O 3.32Å; I169-A201 WeakPolarHBondContact CA-O 3.42Å; T170-A201 PolarHBondContact N-O 3.02Å
202	V	98.8	Very high	97.2	Very high	82 Å²	82	63.8 Å²	63.8	50%	0.497	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.2	168.4	179.3	0	0	0	0	108.3	T170	T170-V202 HydrophobicContact CG2-CG2 3.99Å; T170-V202 CarbonylContact O-C 3.53Å; T170-V202 WeakPolarHBondContact O-CA 3.23Å
203	N	98.5	Very high	97.1	Very high	61 Å²	61	60.1 Å²	60.1	33%	0.326	32%	0.321	S	S	.	.			trans	-138.8	92.3	-178.2	-172.5	-14.2	0	0	0	111.2	I169 T170 A205 L206 M207	I169-N203 HydrophobicContact CG2-CB 3.85Å; T170-N203 PolarHBondContact O-N 2.88Å; N203-A205 PolarHBondContact OD1-N 2.77Å; N203-L206 HydrophobicContact CB-CB 4.31Å; N203-L206 PolarHBondContact O-N 2.63Å; N203-L206 PolarHBondContact OD1-N 3.28Å; N203-M207 WeakPolarHBondContact O-CB 3.46Å; N203-M207 WeakPolarHBondContact O-CG 3.47Å; N203-M207 PolarHBondContact O-N 2.63Å
204	D	98.3	Very high	97.1	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-75.5	-26.2	178.2	-80.2	-14.8	0	0	0	113.6	S171 S172 L206 R208 F209	S171-D204 WeakPolarHBondContact CA-OD1 3.39Å; S172-D204 WeakPolarHBondContact CB-OD1 3.23Å; S172-D204 WeakPolarHBondContact CB-OD2 3.44Å; S172-D204 PolarHBondContact N-OD1 2.54Å; S172-D204 VanDerWaalsContact OG-CG 3.24Å; S172-D204 PolarHBondContact OG-OD1 3.42Å; S172-D204 PolarHBondContact OG-OD2 2.75Å; D204-L206 PolarHBondContact O-N 2.97Å; D204-R208 HydrophobicContact CB-CB 4.3Å; D204-R208 CarbonylContact O-C 3.54Å; D204-R208 VanDerWaalsContact O-CA 3.23Å; D204-R208 WeakPolarHBondContact O-CA 3.4Å; D204-R208 WeakPolarHBondContact O-CB 3Å; D204-R208 PolarHBondContact O-N 2.7Å; D204-R208 WeakPolarHBondContact OD1-CD 3.08Å; D204-F209 PolarHBondContact O-N 3.4Å
205	A	97	Very high	97.1	Very high	52 Å²	52	59.4 Å²	59.4	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-39.4	174.2	0	0	0	0	0	110.4	N203 F209	N203-A205 PolarHBondContact OD1-N 2.77Å; A205-F209 WeakPolarHBondContact O-CA 3.07Å; A205-F209 WeakPolarHBondContact O-CB 3.48Å
206	L	98	Very high	97.2	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-84.8	-46	177.9	-172.6	63.1	0	0	0	113.4	I169 N203 D204 F209 I319 L320 D323	I169-L206 HydrophobicContact CD1-CD2 4.43Å; I169-L206 HydrophobicContact CG2-CD2 4.42Å; N203-L206 HydrophobicContact CB-CB 4.31Å; N203-L206 PolarHBondContact O-N 2.63Å; N203-L206 PolarHBondContact OD1-N 3.28Å; D204-L206 PolarHBondContact O-N 2.97Å; L206-F209 VanDerWaalsContact O-CD1 3.28Å; L206-F209 WeakPolarHBondContact O-CD1 3.37Å; L206-I319 HydrophobicContact CD1-CG1 4.35Å; L206-L320 HydrophobicContact CD1-CB 4.14Å; L206-L320 HydrophobicContact CD1-CD1 3.73Å; L206-L320 HydrophobicContact CG-CD1 4.03Å; L206-D323 HydrophobicContact CD1-CB 3.65Å; L206-D323 HydrophobicContact CD2-CB 4.46Å
207	M	98.6	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-93.4	-10.4	-170.8	-59.1	-49	-66.3	0	0	114.1	I169 N203 Q348 V349 T354	I169-M207 HydrophobicContact CG2-CG 4.14Å; N203-M207 WeakPolarHBondContact O-CB 3.46Å; N203-M207 WeakPolarHBondContact O-CG 3.47Å; N203-M207 PolarHBondContact O-N 2.63Å; M207-Q348 HydrophobicContact CE-CB 3.75Å; M207-Q348 HydrophobicContact SD-CB 3.85Å; M207-V349 VanDerWaalsContact CE-C 3.5Å; M207-T354 HydrophobicContact CE-CG2 3.86Å; M207-T354 PolarHBondContact O-OG1 3.32Å
208	R	97.7	Very high	97.4	Very high	26 Å²	26	49.8 Å²	49.8	10%	0.098	26%	0.259	C	S	.	.	S	Bend	trans	-134.3	34.1	175.6	-59.3	178.8	63.1	84.4	-1.2	111.6	D204 F210 D211 H351	D204-R208 HydrophobicContact CB-CB 4.3Å; D204-R208 CarbonylContact O-C 3.54Å; D204-R208 VanDerWaalsContact O-CA 3.23Å; D204-R208 WeakPolarHBondContact O-CA 3.4Å; D204-R208 WeakPolarHBondContact O-CB 3Å; D204-R208 PolarHBondContact O-N 2.7Å; D204-R208 WeakPolarHBondContact OD1-CD 3.08Å; R208-F210 HydrophobicContact CB-CE1 4.45Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CZ 4.39Å; R208-F210 PolarHBondContact O-N 3.17Å; R208-D211 IonicContact CZ-OD2 2.84Å; R208-D211 IonicContact NE-OD2 3.14Å; R208-D211 PolarHBondContact NE-OD2 3.34Å; R208-D211 IonicContact NH2-OD1 3.89Å; R208-D211 IonicContact NH2-OD2 3.25Å; R208-D211 PolarHBondContact NH2-OD2 3.27Å; R208-D211 PolarHBondContact O-N 3.3Å; R208-H351 PolarHBondContact NH1-NE2 3.17Å
209	F	97.3	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-46.3	-33	177.7	57.5	-108.5	0	0	0	112.9	D204 A205 L206 D211 K212 C213 S316 I319 L320 T354 P357 Y450	D204-F209 PolarHBondContact O-N 3.4Å; A205-F209 WeakPolarHBondContact O-CA 3.07Å; A205-F209 WeakPolarHBondContact O-CB 3.48Å; L206-F209 VanDerWaalsContact O-CD1 3.28Å; L206-F209 WeakPolarHBondContact O-CD1 3.37Å; F209-D211 VanDerWaalsContact C-N 3.29Å; F209-D211 PolarHBondContact O-N 2.93Å; F209-K212 PolarHBondContact O-N 2.77Å; F209-K212 VanDerWaalsContact O-N 3.11Å; F209-C213 PolarHBondContact O-N 3.33Å; F209-S316 WeakPolarHBondContact CD2-O 3.47Å; F209-S316 WeakPolarHBondContact CE2-OG 3.28Å; F209-S316 WeakPolarHBondContact CG-O 3.31Å; F209-I319 HydrophobicContact CB-CG2 3.52Å; F209-I319 HydrophobicContact CD1-CG2 4.2Å; F209-I319 HydrophobicContact CG-CG2 4.09Å; F209-L320 HydrophobicContact CD1-CB 4.16Å; F209-L320 HydrophobicContact CE1-CB 4.05Å; F209-L320 HydrophobicContact CE1-CD2 3.92Å; F209-T354 HydrophobicContact CE1-CG2 3.93Å; F209-P357 HydrophobicContact CE2-CB 4.08Å; F209-P357 HydrophobicContact CE2-CG 4.18Å; F209-P357 HydrophobicContact CZ-CB 3.96Å; F209-P357 HydrophobicContact CZ-CG 4.15Å; F209-Y450 HydrophobicContact CB-CE2 3.81Å; F209-Y450 PolarHBondContact O-OH 2.95Å
210	F	95.5	Very high	97.4	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.039	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-24.9	-177	56.4	-99.6	0	0	0	114	R208 K212 F216 R306 H351 E353	R208-F210 HydrophobicContact CB-CE1 4.45Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CZ 4.39Å; R208-F210 PolarHBondContact O-N 3.17Å; F210-K212 VanDerWaalsContact C-N 3.29Å; F210-F216 HydrophobicContact CB-CD1 4.42Å; F210-F216 HydrophobicContact CB-CE1 4.41Å; F210-F216 WeakPolarHBondContact O-CD1 3.32Å; F210-R306 VanDerWaalsContact CD2-NH1 3.33Å; F210-R306 VanDerWaalsContact CG-NH1 3.34Å; F210-H351 AromaticContact CZ-CD2 3.91Å; F210-E353 HydrophobicContact CD1-CB 4.07Å; F210-E353 WeakPolarHBondContact CD1-O 3.41Å; F210-E353 HydrophobicContact CE1-CB 3.71Å; F210-E353 HydrophobicContact CE2-CB 4.22Å; F210-E353 HydrophobicContact CG-CB 4.49Å; F210-E353 HydrophobicContact CZ-CB 3.79Å
211	D	94.4	Very high	97.2	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-75.5	-23.9	174.9	-74.7	-13.7	0	0	0	112	R208 F209	R208-D211 IonicContact CZ-OD2 2.84Å; R208-D211 IonicContact NE-OD2 3.14Å; R208-D211 PolarHBondContact NE-OD2 3.34Å; R208-D211 IonicContact NH2-OD1 3.89Å; R208-D211 IonicContact NH2-OD2 3.25Å; R208-D211 PolarHBondContact NH2-OD2 3.27Å; R208-D211 PolarHBondContact O-N 3.3Å; F209-D211 VanDerWaalsContact C-N 3.29Å; F209-D211 PolarHBondContact O-N 2.93Å
212	K	93.7	Very high	97.1	Very high	133 Å²	133	47.5 Å²	47.5	58%	0.578	25%	0.247	S	C	*	.	H	α-helix	trans	-99.1	-13.4	-174.9	-58.9	-57.3	-175.4	-179.5	0	112.5	F209 F210 T214 Y450 L456	F209-K212 PolarHBondContact O-N 2.77Å; F209-K212 VanDerWaalsContact O-N 3.11Å; F210-K212 VanDerWaalsContact C-N 3.29Å; K212-T214 PolarHBondContact O-N 3.16Å; K212-T214 VanDerWaalsContact O-N 3.12Å; K212-Y450 WeakPolarHBondContact CB-OH 3.29Å; K212-L456 WeakPolarHBondContact O-CD2 3.35Å
213	C	97.4	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.			trans	-77.4	96.3	-178.6	-172.1	0	0	0	0	111.3	F209 K215 F216 V217 Y450 C454	F209-C213 PolarHBondContact O-N 3.33Å; C213-K215 PolarHBondContact O-N 2.98Å; C213-F216 HydrophobicContact CB-CB 3.78Å; C213-F216 WeakPolarHBondContact O-CB 3.47Å; C213-F216 PolarHBondContact O-N 3.09Å; C213-F216 VanDerWaalsContact O-N 3.16Å; C213-F216 VanDerWaalsContact SG-CB 3.55Å; C213-V217 WeakPolarHBondContact O-CG2 3.36Å; C213-V217 PolarHBondContact O-N 3.03Å; C213-Y450 HydrophobicContact CB-CE2 4.2Å; C213-Y450 PolarHBondContact N-OH 2.89Å; C213-C454 VanDerWaalsContact CA-SG 3.57Å; C213-C454 HydrophobicContact CB-CB 3.77Å; C213-C454 WeakPolarHBondContact CB-SG 3.3Å; C213-C454 VanDerWaalsContact SG-CA 3.54Å; C213-C454 WeakPolarHBondContact SG-CB 3.5Å; C213-C454 CovalentContact SG-SG 2.03Å; C213-C454 PolarHBondContact SG-SG 2.59Å
214	T	97.4	Very high	96.6	Very high	67 Å²	67	48.4 Å²	48.4	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-53.8	-48.2	-174.3	-54	0	0	0	0	112.6	K212 F216 V217 R218 C454	K212-T214 PolarHBondContact O-N 3.16Å; K212-T214 VanDerWaalsContact O-N 3.12Å; T214-F216 PolarHBondContact O-N 2.93Å; T214-V217 PolarHBondContact O-N 2.94Å; T214-R218 WeakPolarHBondContact O-CB 3.36Å; T214-R218 PolarHBondContact O-N 3.37Å; T214-C454 VanDerWaalsContact CB-O 3.3Å; T214-C454 WeakPolarHBondContact CB-O 3.49Å; T214-C454 PolarHBondContact N-O 3.28Å
215	K	97.5	Very high	96.5	Very high	67 Å²	67	49.6 Å²	49.6	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-48.1	178.1	-170.2	-179.5	-169.1	132	0	112.3	C213 V217 R218 D219 I312 V453 C454 E455	C213-K215 PolarHBondContact O-N 2.98Å; K215-V217 PolarHBondContact O-N 3.49Å; K215-R218 PolarHBondContact O-N 3.23Å; K215-D219 WeakPolarHBondContact CG-OD2 3.35Å; K215-D219 VanDerWaalsContact O-CB 3.27Å; K215-D219 WeakPolarHBondContact O-CB 3.35Å; K215-D219 PolarHBondContact O-N 2.89Å; K215-I312 HydrophobicContact CB-CD1 4.13Å; K215-I312 HydrophobicContact CB-CG1 4.11Å; K215-I312 HydrophobicContact CD-CB 4.47Å; K215-I312 HydrophobicContact CD-CD1 3.91Å; K215-I312 HydrophobicContact CD-CG1 4.03Å; K215-I312 HydrophobicContact CG-CD1 4.23Å; K215-I312 HydrophobicContact CG-CG1 3.97Å; K215-V453 VanDerWaalsContact CD-O 3.24Å; K215-V453 WeakPolarHBondContact CD-O 3.49Å; K215-C454 PolarHBondContact N-O 2.84Å; K215-E455 HydrophobicContact CB-CB 4.4Å; K215-E455 HydrophobicContact CB-CG 4.24Å; K215-E455 HydrophobicContact CD-CG 4.31Å; K215-E455 VanDerWaalsContact CD-OE1 3.31Å; K215-E455 WeakPolarHBondContact CD-OE1 3.3Å; K215-E455 WeakPolarHBondContact CE-OE1 3.06Å; K215-E455 IonicContact NZ-OE1 2.77Å; K215-E455 PolarHBondContact NZ-OE1 3.39Å
216	F	97.9	Very high	96.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-47.9	176.9	173.3	-96.5	0	0	0	111.7	F210 C213 T214 R218 V220 D221 K305 I312	F210-F216 HydrophobicContact CB-CD1 4.42Å; F210-F216 HydrophobicContact CB-CE1 4.41Å; F210-F216 WeakPolarHBondContact O-CD1 3.32Å; C213-F216 HydrophobicContact CB-CB 3.78Å; C213-F216 WeakPolarHBondContact O-CB 3.47Å; C213-F216 PolarHBondContact O-N 3.09Å; C213-F216 VanDerWaalsContact O-N 3.16Å; C213-F216 VanDerWaalsContact SG-CB 3.55Å; T214-F216 PolarHBondContact O-N 2.93Å; F216-R218 PolarHBondContact O-N 3.24Å; F216-V220 HydrophobicContact CD2-CB 4.15Å; F216-V220 HydrophobicContact CD2-CG2 4.41Å; F216-V220 HydrophobicContact CE2-CB 3.93Å; F216-V220 HydrophobicContact CE2-CG1 3.89Å; F216-V220 HydrophobicContact CE2-CG2 4.49Å; F216-V220 HydrophobicContact CZ-CB 4.45Å; F216-V220 HydrophobicContact CZ-CG1 4.3Å; F216-V220 WeakPolarHBondContact O-CA 3.17Å; F216-V220 WeakPolarHBondContact O-CB 3.46Å; F216-V220 PolarHBondContact O-N 3.41Å; F216-D221 HydrophobicContact CD1-CB 4.4Å; F216-D221 HydrophobicContact CE1-CB 3.79Å; F216-D221 HydrophobicContact CZ-CB 4.31Å; F216-D221 PolarHBondContact O-N 3.26Å; F216-K305 VanDerWaalsContact CE2-O 3.25Å; F216-K305 WeakPolarHBondContact CE2-O 3.35Å; F216-K305 WeakPolarHBondContact CZ-O 3.38Å; F216-I312 HydrophobicContact CB-CG1 3.87Å
217	V	97.6	Very high	96.4	Very high	33 Å²	33	48.2 Å²	48.2	20%	0.2	25%	0.252	C	S	.	.	I	π-helix	trans	-62.1	-45	-178.7	170.6	0	0	0	0	110.7	C213 T214 K215 D221 N222	C213-V217 WeakPolarHBondContact O-CG2 3.36Å; C213-V217 PolarHBondContact O-N 3.03Å; T214-V217 PolarHBondContact O-N 2.94Å; K215-V217 PolarHBondContact O-N 3.49Å; V217-D221 PolarHBondContact O-N 3.28Å; V217-N222 WeakPolarHBondContact CG1-ND2 3.38Å; V217-N222 VanDerWaalsContact O-CB 3.3Å; V217-N222 WeakPolarHBondContact O-CB 2.8Å; V217-N222 PolarHBondContact O-N 3.06Å
218	R	97.4	Very high	96.4	Very high	118 Å²	118	50.2 Å²	50.2	45%	0.445	27%	0.266	S	S	.	.	I	π-helix	trans	-67.9	-52.5	179.8	-176.6	-172.8	67.2	-141.8	-6.9	112.2	T214 K215 F216 E455	T214-R218 WeakPolarHBondContact O-CB 3.36Å; T214-R218 PolarHBondContact O-N 3.37Å; K215-R218 PolarHBondContact O-N 3.23Å; F216-R218 PolarHBondContact O-N 3.24Å; R218-E455 IonicContact CZ-OE2 3.51Å; R218-E455 VanDerWaalsContact CZ-OE2 3.24Å; R218-E455 IonicContact NH1-OE2 3.4Å; R218-E455 PolarHBondContact NH1-OE2 2.93Å; R218-E455 IonicContact NH2-OE1 3.65Å; R218-E455 IonicContact NH2-OE2 2.7Å; R218-E455 PolarHBondContact NH2-OE2 3.46Å
219	D	97.4	Very high	96.4	Very high	55 Å²	55	50.2 Å²	50.2	29%	0.294	27%	0.267	S	S	.	.	I	π-helix	trans	-86.3	-19.8	-165.6	-61.1	-16.5	0	0	0	112.5	K215 N223	K215-D219 WeakPolarHBondContact CG-OD2 3.35Å; K215-D219 VanDerWaalsContact O-CB 3.27Å; K215-D219 WeakPolarHBondContact O-CB 3.35Å; K215-D219 PolarHBondContact O-N 2.89Å; D219-N223 WeakPolarHBondContact O-CB 3.39Å; D219-N223 PolarHBondContact O-ND2 2.89Å
220	V	97.5	Very high	96.4	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	27%	0.27	C	S	.	.	I	π-helix	trans	-127.8	-58.2	-175.7	-175.2	0	0	0	0	112.7	F216 N222 N223 A226 Y310 I312	F216-V220 HydrophobicContact CD2-CB 4.15Å; F216-V220 HydrophobicContact CD2-CG2 4.41Å; F216-V220 HydrophobicContact CE2-CB 3.93Å; F216-V220 HydrophobicContact CE2-CG1 3.89Å; F216-V220 HydrophobicContact CE2-CG2 4.49Å; F216-V220 HydrophobicContact CZ-CB 4.45Å; F216-V220 HydrophobicContact CZ-CG1 4.3Å; F216-V220 WeakPolarHBondContact O-CA 3.17Å; F216-V220 WeakPolarHBondContact O-CB 3.46Å; F216-V220 PolarHBondContact O-N 3.41Å; V220-N222 PolarHBondContact O-N 3.49Å; V220-N223 PolarHBondContact O-N 2.96Å; V220-A226 HydrophobicContact CB-CB 4.4Å; V220-A226 HydrophobicContact CG1-CB 4.08Å; V220-Y310 HydrophobicContact CG1-CD2 4.22Å; V220-Y310 HydrophobicContact CG2-CD2 3.75Å; V220-Y310 HydrophobicContact CG2-CE2 4.44Å; V220-Y310 HydrophobicContact CG2-CG 4.17Å; V220-I312 HydrophobicContact CG2-CG2 3.76Å
221	D	94.9	Very high	96.5	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	29%	0.286	S	S	.	.	I	π-helix	trans	-68.7	-40.8	-168.6	-156.6	42.4	0	0	0	113.1	F216 V217 K305 R306	F216-D221 HydrophobicContact CD1-CB 4.4Å; F216-D221 HydrophobicContact CE1-CB 3.79Å; F216-D221 HydrophobicContact CZ-CB 4.31Å; F216-D221 PolarHBondContact O-N 3.26Å; V217-D221 PolarHBondContact O-N 3.28Å; D221-K305 WeakPolarHBondContact OD1-CE 3.46Å; D221-K305 IonicContact OD1-NZ 2.71Å; D221-K305 PolarHBondContact OD1-NZ 2.93Å; D221-R306 IonicContact OD1-NH2 3.89Å; D221-R306 PolarHBondContact OD1-NH2 3.05Å; D221-R306 VanDerWaalsContact OD1-NH2 3.14Å; D221-R306 IonicContact OD2-NH2 3.8Å
222	N	96.3	Very high	96.7	Very high	118 Å²	118	55.9 Å²	55.9	63%	0.631	29%	0.292	S	S	*	.	S	Bend	trans	-97.2	1.6	176.8	-68.7	-21.2	0	0	0	113.2	V217 V220 P224	V217-N222 WeakPolarHBondContact CG1-ND2 3.38Å; V217-N222 VanDerWaalsContact O-CB 3.3Å; V217-N222 WeakPolarHBondContact O-CB 2.8Å; V217-N222 PolarHBondContact O-N 3.06Å; V220-N222 PolarHBondContact O-N 3.49Å; N222-P224 WeakPolarHBondContact O-CD 3.39Å
223	N	96.1	Very high	96.9	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.294	27%	0.265	S	S	.	.			trans	-96.7	109.1	178.4	-178	5.3	0	0	0	110.7	D219 V220 S225 A226	D219-N223 WeakPolarHBondContact O-CB 3.39Å; D219-N223 PolarHBondContact O-ND2 2.89Å; V220-N223 PolarHBondContact O-N 2.96Å; N223-S225 VanDerWaalsContact C-N 3.25Å; N223-S225 PolarHBondContact ND2-OG 3.41Å; N223-S225 PolarHBondContact O-N 3.49Å; N223-S225 PolarHBondContact OD1-N 3.46Å; N223-S225 VanDerWaalsContact OD1-N 3.1Å; N223-S225 PolarHBondContact OD1-OG 3.33Å; N223-A226 HydrophobicContact CB-CB 4.2Å; N223-A226 VanDerWaalsContact O-CB 3.26Å; N223-A226 WeakPolarHBondContact O-CB 3.41Å; N223-A226 PolarHBondContact O-N 3.28Å; N223-A226 VanDerWaalsContact O-N 3.15Å
224	P	91.8	Very high	96.9	Very high	106 Å²	106	50.2 Å²	50.2	69%	0.688	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-61.8	-31.6	-179.4	-21.9	34.4	0	0	0	113.3	N222 A226 L227	N222-P224 WeakPolarHBondContact O-CD 3.39Å; P224-A226 PolarHBondContact O-N 2.97Å; P224-L227 PolarHBondContact O-N 3.39Å
225	S	95.4	Very high	96.9	Very high	72 Å²	72	53.9 Å²	53.9	50%	0.503	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-71.5	-16	-178.5	74.9	0	0	0	0	113	N223 L227 S228	N223-S225 VanDerWaalsContact C-N 3.25Å; N223-S225 PolarHBondContact ND2-OG 3.41Å; N223-S225 PolarHBondContact O-N 3.49Å; N223-S225 PolarHBondContact OD1-N 3.46Å; N223-S225 VanDerWaalsContact OD1-N 3.1Å; N223-S225 PolarHBondContact OD1-OG 3.33Å; S225-L227 PolarHBondContact O-N 3.47Å; S225-L227 VanDerWaalsContact O-N 3.17Å; S225-S228 WeakPolarHBondContact O-CB 3.32Å; S225-S228 PolarHBondContact O-N 2.94Å; S225-S228 VanDerWaalsContact O-N 3.13Å; S225-S228 PolarHBondContact O-OG 3.29Å
226	A	96.4	Very high	96.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.7	-17.6	-179.6	0	0	0	0	0	113	V220 N223 P224 Y310	V220-A226 HydrophobicContact CB-CB 4.4Å; V220-A226 HydrophobicContact CG1-CB 4.08Å; N223-A226 HydrophobicContact CB-CB 4.2Å; N223-A226 VanDerWaalsContact O-CB 3.26Å; N223-A226 WeakPolarHBondContact O-CB 3.41Å; N223-A226 PolarHBondContact O-N 3.28Å; N223-A226 VanDerWaalsContact O-N 3.15Å; P224-A226 PolarHBondContact O-N 2.97Å; A226-Y310 VanDerWaalsContact CA-OH 3.31Å; A226-Y310 WeakPolarHBondContact CA-OH 3.39Å; A226-Y310 HydrophobicContact CB-CE2 3.81Å; A226-Y310 WeakPolarHBondContact O-CE2 3.27Å; A226-Y310 PolarHBondContact O-OH 2.89Å
227	L	96.6	Very high	97	Very high	29 Å²	29	56.1 Å²	56.1	15%	0.152	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-111.8	21	177.4	-56.3	-178.5	0	0	0	113	P224 S225 E229 M230 D231 W304 K305	P224-L227 PolarHBondContact O-N 3.39Å; S225-L227 PolarHBondContact O-N 3.47Å; S225-L227 VanDerWaalsContact O-N 3.17Å; L227-E229 PolarHBondContact O-N 3.17Å; L227-E229 VanDerWaalsContact O-N 3.13Å; L227-M230 HydrophobicContact CB-CB 4.32Å; L227-M230 WeakPolarHBondContact O-CA 3.31Å; L227-M230 WeakPolarHBondContact O-CB 3.43Å; L227-M230 PolarHBondContact O-N 3.47Å; L227-D231 PolarHBondContact O-N 3.48Å; L227-W304 HydrophobicContact CD2-CB 4.03Å; L227-K305 HydrophobicContact CD1-CD 4.35Å; L227-K305 HydrophobicContact CD2-CB 3.77Å; L227-K305 HydrophobicContact CD2-CG 4.38Å
228	S	97.8	Very high	97	Very high	41 Å²	41	57 Å²	57	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-55.2	-34.6	-177	59.5	0	0	0	0	114.1	S225 D231 K232	S225-S228 WeakPolarHBondContact O-CB 3.32Å; S225-S228 PolarHBondContact O-N 2.94Å; S225-S228 VanDerWaalsContact O-N 3.13Å; S225-S228 PolarHBondContact O-OG 3.29Å; S228-D231 PolarHBondContact O-N 2.86Å; S228-K232 WeakPolarHBondContact O-CB 3.41Å; S228-K232 WeakPolarHBondContact O-CG 3.5Å; S228-K232 PolarHBondContact O-N 2.8Å
229	E	98.4	Very high	97.1	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-35.7	174.9	-66.3	-55.1	126.6	0	0	112.7	L227 K232 F233 L300 W304 T372 S373	L227-E229 PolarHBondContact O-N 3.17Å; L227-E229 VanDerWaalsContact O-N 3.13Å; E229-K232 IonicContact OE1-NZ 2.79Å; E229-K232 PolarHBondContact OE1-NZ 3.37Å; E229-F233 WeakPolarHBondContact O-CB 3.08Å; E229-F233 PolarHBondContact O-N 3.09Å; E229-F233 VanDerWaalsContact O-N 3.13Å; E229-L300 HydrophobicContact CB-CD2 4.39Å; E229-W304 HydrophobicContact CB-CD2 4.49Å; E229-W304 HydrophobicContact CB-CG 4.46Å; E229-W304 HydrophobicContact CB-CZ2 4.43Å; E229-W304 HydrophobicContact CG-CD2 4.39Å; E229-W304 HydrophobicContact CG-CH2 4.48Å; E229-W304 HydrophobicContact CG-CZ2 3.69Å; E229-T372 WeakPolarHBondContact OE2-CB 3.39Å; E229-S373 VanDerWaalsContact O-CB 3.29Å; E229-S373 WeakPolarHBondContact O-CB 3.47Å; E229-S373 VanDerWaalsContact OE2-CB 3.28Å; E229-S373 WeakPolarHBondContact OE2-CB 3.42Å; E229-S373 PolarHBondContact OE2-N 3Å; E229-S373 PolarHBondContact OE2-OG 3.43Å
230	M	97.1	Very high	97.1	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-48.2	170.1	-178.7	-166.2	173.4	0	0	110	L227 K232 F233 T234 Y259 L300 K301	L227-M230 HydrophobicContact CB-CB 4.32Å; L227-M230 WeakPolarHBondContact O-CA 3.31Å; L227-M230 WeakPolarHBondContact O-CB 3.43Å; L227-M230 PolarHBondContact O-N 3.47Å; M230-K232 PolarHBondContact O-N 3.4Å; M230-F233 PolarHBondContact O-N 3.15Å; M230-F233 VanDerWaalsContact O-N 3.17Å; M230-T234 HydrophobicContact CE-CG2 4.34Å; M230-T234 HydrophobicContact CG-CG2 4.29Å; M230-T234 WeakPolarHBondContact O-CG2 3.35Å; M230-T234 PolarHBondContact O-N 2.79Å; M230-T234 PolarHBondContact O-OG1 2.87Å; M230-Y259 HydrophobicContact CE-CE1 3.72Å; M230-Y259 VanDerWaalsContact CE-OH 3.29Å; M230-Y259 WeakPolarHBondContact CE-OH 3.44Å; M230-L300 HydrophobicContact CB-CB 4.43Å; M230-K301 HydrophobicContact CE-CB 4.18Å; M230-K301 HydrophobicContact CE-CD 3.81Å; M230-K301 HydrophobicContact CE-CG 4.21Å; M230-K301 HydrophobicContact CG-CB 4.27Å; M230-K301 HydrophobicContact SD-CB 3.49Å; M230-K301 WeakPolarHBondContact SD-CB 3.37Å; M230-K301 HydrophobicContact SD-CD 3.82Å; M230-K301 HydrophobicContact SD-CG 3.54Å; M230-K301 VanDerWaalsContact SD-CG 3.54Å
231	D	97.2	Very high	97.2	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-47.5	-176.7	-66.6	-24.7	0	0	0	111.5	L227 S228 F233 T234 Q235	L227-D231 PolarHBondContact O-N 3.48Å; S228-D231 PolarHBondContact O-N 2.86Å; D231-F233 PolarHBondContact O-N 2.95Å; D231-T234 PolarHBondContact O-N 2.78Å; D231-T234 PolarHBondContact O-OG1 3.04Å; D231-Q235 WeakPolarHBondContact O-CG 3.3Å; D231-Q235 PolarHBondContact O-N 3.29Å; D231-Q235 PolarHBondContact O-NE2 3.17Å
232	K	98.6	Very high	97.3	Very high	113 Å²	113	54.3 Å²	54.3	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.7	-72	170.1	-166.2	168.6	0	111.8	S228 E229 M230 T234 Q235 G236	S228-K232 WeakPolarHBondContact O-CB 3.41Å; S228-K232 WeakPolarHBondContact O-CG 3.5Å; S228-K232 PolarHBondContact O-N 2.8Å; E229-K232 IonicContact OE1-NZ 2.79Å; E229-K232 PolarHBondContact OE1-NZ 3.37Å; M230-K232 PolarHBondContact O-N 3.4Å; K232-T234 PolarHBondContact O-N 2.9Å; K232-Q235 CarbonylContact O-C 3.55Å; K232-Q235 PolarHBondContact O-N 2.84Å; K232-G236 PolarHBondContact O-N 2.73Å
233	F	98.6	Very high	97.5	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-41.5	-179.9	-173.5	-104.4	0	0	0	112.2	E229 M230 D231 Q235 G236 E238 M239 V293 Y296 A297 L300 S373 Y376	E229-F233 WeakPolarHBondContact O-CB 3.08Å; E229-F233 PolarHBondContact O-N 3.09Å; E229-F233 VanDerWaalsContact O-N 3.13Å; M230-F233 PolarHBondContact O-N 3.15Å; M230-F233 VanDerWaalsContact O-N 3.17Å; D231-F233 PolarHBondContact O-N 2.95Å; F233-Q235 PolarHBondContact O-N 3.25Å; F233-G236 PolarHBondContact O-N 2.87Å; F233-E238 HydrophobicContact CE2-CB 4.09Å; F233-E238 HydrophobicContact CE2-CG 4.19Å; F233-E238 HydrophobicContact CZ-CB 3.93Å; F233-E238 HydrophobicContact CZ-CG 4.37Å; F233-M239 HydrophobicContact CE1-CE 4.38Å; F233-V293 HydrophobicContact CE1-CG1 4.08Å; F233-V293 HydrophobicContact CZ-CG1 4.1Å; F233-Y296 HydrophobicContact CD1-CD1 4.17Å; F233-Y296 HydrophobicContact CD2-CD1 4.01Å; F233-Y296 HydrophobicContact CD2-CE1 4.09Å; F233-Y296 AromaticContact CE1-CD1 3.81Å; F233-Y296 HydrophobicContact CE1-CD1 3.81Å; F233-Y296 AromaticContact CE2-CD1 3.64Å; F233-Y296 HydrophobicContact CE2-CD1 3.64Å; F233-Y296 AromaticContact CE2-CE1 4Å; F233-Y296 HydrophobicContact CE2-CE1 4Å; F233-Y296 HydrophobicContact CG-CD1 4.27Å; F233-Y296 AromaticContact CZ-CD1 3.52Å; F233-Y296 HydrophobicContact CZ-CD1 3.52Å; F233-Y296 HydrophobicContact CZ-CE1 4.34Å; F233-Y296 HydrophobicContact CZ-CG 4.38Å; F233-A297 HydrophobicContact CD1-CB 3.78Å; F233-A297 HydrophobicContact CE1-CB 3.88Å; F233-L300 HydrophobicContact CB-CD1 3.53Å; F233-L300 HydrophobicContact CD1-CD1 4.07Å; F233-L300 HydrophobicContact CD2-CD1 4.29Å; F233-L300 HydrophobicContact CG-CD1 3.69Å; F233-S373 WeakPolarHBondContact CD2-O 3.38Å; F233-Y376 HydrophobicContact CE2-CG 4.1Å; F233-Y376 HydrophobicContact CZ-CD2 4.22Å; F233-Y376 HydrophobicContact CZ-CG 4.17Å
234	T	97.6	Very high	97.6	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-18.9	178.8	62.1	0	0	0	0	113.7	M230 D231 K232 M239 Y259	M230-T234 HydrophobicContact CE-CG2 4.34Å; M230-T234 HydrophobicContact CG-CG2 4.29Å; M230-T234 WeakPolarHBondContact O-CG2 3.35Å; M230-T234 PolarHBondContact O-N 2.79Å; M230-T234 PolarHBondContact O-OG1 2.87Å; D231-T234 PolarHBondContact O-N 2.78Å; D231-T234 PolarHBondContact O-OG1 3.04Å; K232-T234 PolarHBondContact O-N 2.9Å; T234-M239 WeakPolarHBondContact O-CB 3.4Å; T234-M239 WeakPolarHBondContact O-CG 3.4Å; T234-Y259 HydrophobicContact CG2-CD1 3.91Å; T234-Y259 HydrophobicContact CG2-CD2 3.63Å; T234-Y259 HydrophobicContact CG2-CE1 3.84Å; T234-Y259 HydrophobicContact CG2-CE2 3.56Å; T234-Y259 HydrophobicContact CG2-CG 3.8Å
235	Q	97.5	Very high	97.9	Very high	145 Å²	145	48.7 Å²	48.7	68%	0.678	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.3	172.6	-63.6	169.9	45.8	0	0	112.3	D231 K232 F233	D231-Q235 WeakPolarHBondContact O-CG 3.3Å; D231-Q235 PolarHBondContact O-N 3.29Å; D231-Q235 PolarHBondContact O-NE2 3.17Å; K232-Q235 CarbonylContact O-C 3.55Å; K232-Q235 PolarHBondContact O-N 2.84Å; F233-Q235 PolarHBondContact O-N 3.25Å
236	G	98.1	Very high	98	Very high	13 Å²	13	45.3 Å²	45.3	13%	0.134	23%	0.228	C	C	.	.	S	Bend	trans	-78.3	168.2	-176.6	0	0	0	0	0	113.6	K232 F233 E238 M239 V240	K232-G236 PolarHBondContact O-N 2.73Å; F233-G236 PolarHBondContact O-N 2.87Å; G236-E238 VanDerWaalsContact C-N 3.26Å; G236-E238 PolarHBondContact O-N 3.33Å; G236-M239 PolarHBondContact O-N 2.95Å; G236-V240 WeakPolarHBondContact O-CG2 3.26Å; G236-V240 PolarHBondContact O-N 3.21Å
237	P	98.3	Very high	98.1	Very high	101 Å²	101	45.3 Å²	45.3	66%	0.656	23%	0.228	S	C	*	.	H	α-helix	trans	-61.2	-32.9	-173.2	23.5	-31.7	0	0	0	113.2	R241	P237-R241 WeakPolarHBondContact O-CB 3.4Å; P237-R241 PolarHBondContact O-N 3.25Å
238	E	98.4	Very high	98.2	Very high	53 Å²	53	48.3 Å²	48.3	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-48.6	177.8	-67	76.5	-171.5	0	0	111.8	F233 G236 V242 V293 Y376	F233-E238 HydrophobicContact CE2-CB 4.09Å; F233-E238 HydrophobicContact CE2-CG 4.19Å; F233-E238 HydrophobicContact CZ-CB 3.93Å; F233-E238 HydrophobicContact CZ-CG 4.37Å; G236-E238 VanDerWaalsContact C-N 3.26Å; G236-E238 PolarHBondContact O-N 3.33Å; E238-V242 PolarHBondContact O-N 3.47Å; E238-V293 HydrophobicContact CB-CG1 4.04Å; E238-V293 HydrophobicContact CB-CG2 4.19Å; E238-Y376 HydrophobicContact CG-CD1 3.66Å; E238-Y376 HydrophobicContact CG-CE1 4.04Å; E238-Y376 HydrophobicContact CG-CG 4.43Å
239	M	98.6	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.7	-38.8	-179.2	-172.1	58.1	63.8	0	0	111.8	F233 T234 G236 R241 V242 Q243 Y259 V262 V293 M294 A297	F233-M239 HydrophobicContact CE1-CE 4.38Å; T234-M239 WeakPolarHBondContact O-CB 3.4Å; T234-M239 WeakPolarHBondContact O-CG 3.4Å; G236-M239 PolarHBondContact O-N 2.95Å; M239-R241 PolarHBondContact O-N 2.77Å; M239-V242 WeakPolarHBondContact O-CA 3.41Å; M239-V242 WeakPolarHBondContact O-CB 3.43Å; M239-V242 PolarHBondContact O-N 3.01Å; M239-V242 HydrophobicContact SD-CB 4.29Å; M239-Q243 WeakPolarHBondContact O-CG 3.41Å; M239-Q243 PolarHBondContact O-N 3.17Å; M239-Y259 HydrophobicContact CE-CD2 3.96Å; M239-Y259 HydrophobicContact CE-CE2 3.81Å; M239-Y259 HydrophobicContact CG-CD2 3.96Å; M239-Y259 HydrophobicContact SD-CD2 3.79Å; M239-Y259 HydrophobicContact SD-CE2 4.21Å; M239-V262 HydrophobicContact SD-CG1 4.34Å; M239-V293 HydrophobicContact CE-CG1 3.79Å; M239-V293 HydrophobicContact SD-CG1 4.47Å; M239-M294 HydrophobicContact CE-SD 3.66Å; M239-M294 HydrophobicContact SD-SD 3.88Å; M239-A297 HydrophobicContact CE-CB 3.79Å
240	V	98.5	Very high	98.1	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-57.6	-40	175.6	169.1	0	0	0	0	110.8	G236 V242 Q243 Q244	G236-V240 WeakPolarHBondContact O-CG2 3.26Å; G236-V240 PolarHBondContact O-N 3.21Å; V240-V242 PolarHBondContact O-N 3.14Å; V240-Q243 WeakPolarHBondContact O-CB 3.36Å; V240-Q243 PolarHBondContact O-N 3.42Å; V240-Q244 HydrophobicContact CG1-CG 4.39Å; V240-Q244 WeakPolarHBondContact O-CG 3.26Å; V240-Q244 PolarHBondContact O-N 3.38Å
241	R	98.6	Very high	98.2	Very high	121 Å²	121	53.8 Å²	53.8	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-40.8	174.3	-175.5	-178.8	63.3	-178.9	-1.3	112.4	P237 M239 K245	P237-R241 WeakPolarHBondContact O-CB 3.4Å; P237-R241 PolarHBondContact O-N 3.25Å; M239-R241 PolarHBondContact O-N 2.77Å; R241-K245 VanDerWaalsContact O-CB 3.3Å; R241-K245 WeakPolarHBondContact O-CB 3.09Å; R241-K245 PolarHBondContact O-N 2.88Å
242	V	98.8	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-43.6	175.5	178.1	0	0	0	0	110.7	E238 M239 V240 K245 I246 V262 F286 D290 V293	E238-V242 PolarHBondContact O-N 3.47Å; M239-V242 WeakPolarHBondContact O-CA 3.41Å; M239-V242 WeakPolarHBondContact O-CB 3.43Å; M239-V242 PolarHBondContact O-N 3.01Å; M239-V242 HydrophobicContact SD-CB 4.29Å; V240-V242 PolarHBondContact O-N 3.14Å; V242-K245 PolarHBondContact O-N 3.15Å; V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 WeakPolarHBondContact O-CG1 3.4Å; V242-I246 PolarHBondContact O-N 3.25Å; V242-V262 HydrophobicContact CG1-CG1 3.76Å; V242-F286 HydrophobicContact CG1-CE1 4.28Å; V242-D290 HydrophobicContact CG1-CB 4.24Å; V242-D290 HydrophobicContact CG2-CB 4.12Å; V242-V293 HydrophobicContact CG2-CB 4.08Å; V242-V293 HydrophobicContact CG2-CG1 3.9Å; V242-V293 HydrophobicContact CG2-CG2 4.42Å
243	Q	98.8	Very high	98.1	Very high	34 Å²	34	48.9 Å²	48.9	16%	0.159	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-48.3	176.7	-69.7	171.9	-95.1	0	0	112.1	M239 V240 I246 A247 I257 V262	M239-Q243 WeakPolarHBondContact O-CG 3.41Å; M239-Q243 PolarHBondContact O-N 3.17Å; V240-Q243 WeakPolarHBondContact O-CB 3.36Å; V240-Q243 PolarHBondContact O-N 3.42Å; Q243-I246 PolarHBondContact O-N 2.87Å; Q243-A247 WeakPolarHBondContact O-CB 3.15Å; Q243-A247 PolarHBondContact O-N 3.03Å; Q243-I257 HydrophobicContact CB-CG2 4.09Å; Q243-I257 HydrophobicContact CG-CG2 4.36Å; Q243-I257 PolarHBondContact NE2-O 2.6Å; Q243-V262 HydrophobicContact CB-CG2 4.36Å; Q243-V262 HydrophobicContact CG-CG2 3.62Å
244	Q	98.6	Very high	98.1	Very high	81 Å²	81	54.1 Å²	54.1	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-47	178.3	-73.1	173.1	-17.6	0	0	111.3	V240 I246 A247 D248 Y254	V240-Q244 HydrophobicContact CG1-CG 4.39Å; V240-Q244 WeakPolarHBondContact O-CG 3.26Å; V240-Q244 PolarHBondContact O-N 3.38Å; Q244-I246 VanDerWaalsContact C-N 3.34Å; Q244-I246 PolarHBondContact O-N 3.15Å; Q244-A247 CarbonylContact O-C 3.6Å; Q244-A247 WeakPolarHBondContact O-CA 2.97Å; Q244-A247 WeakPolarHBondContact O-CB 3.23Å; Q244-A247 PolarHBondContact O-N 2.97Å; Q244-A247 VanDerWaalsContact O-N 3.09Å; Q244-D248 PolarHBondContact O-N 2.97Å; Q244-Y254 HydrophobicContact CB-CE2 4.35Å; Q244-Y254 HydrophobicContact CG-CD2 3.9Å; Q244-Y254 HydrophobicContact CG-CE2 3.98Å; Q244-Y254 HydrophobicContact CG-CG 4.37Å
245	K	98.4	Very high	98	Very high	46 Å²	46	60.4 Å²	60.4	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-40.4	178.4	-174.8	-176.5	-175.1	-177.1	0	113	R241 V242 D248 R249 D287 D290	R241-K245 VanDerWaalsContact O-CB 3.3Å; R241-K245 WeakPolarHBondContact O-CB 3.09Å; R241-K245 PolarHBondContact O-N 2.88Å; V242-K245 PolarHBondContact O-N 3.15Å; K245-D248 PolarHBondContact O-N 3.27Å; K245-R249 WeakPolarHBondContact O-CB 3.39Å; K245-R249 WeakPolarHBondContact O-CG 3.46Å; K245-R249 PolarHBondContact O-N 3.15Å; K245-D287 IonicContact NZ-OD1 3.82Å; K245-D287 PolarHBondContact NZ-OD1 3.16Å; K245-D287 VanDerWaalsContact NZ-OD1 3.15Å; K245-D287 IonicContact NZ-OD2 3.67Å; K245-D287 PolarHBondContact NZ-OD2 2.91Å; K245-D290 WeakPolarHBondContact CE-OD2 3.26Å; K245-D290 IonicContact NZ-OD1 3.14Å; K245-D290 PolarHBondContact NZ-OD1 2.93Å; K245-D290 VanDerWaalsContact NZ-OD1 3.07Å; K245-D290 IonicContact NZ-OD2 2.88Å; K245-D290 PolarHBondContact NZ-OD2 3.36Å
246	I	98.3	Very high	98	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-41.5	174.7	-74	171	0	0	0	110.6	V242 Q243 Q244 D248 R249 L250 I257 V262 L285 F286	V242-I246 HydrophobicContact CG1-CD1 3.92Å; V242-I246 WeakPolarHBondContact O-CG1 3.4Å; V242-I246 PolarHBondContact O-N 3.25Å; Q243-I246 PolarHBondContact O-N 2.87Å; Q244-I246 VanDerWaalsContact C-N 3.34Å; Q244-I246 PolarHBondContact O-N 3.15Å; I246-D248 VanDerWaalsContact C-N 3.35Å; I246-R249 PolarHBondContact O-N 2.96Å; I246-L250 HydrophobicContact CG2-CD1 3.76Å; I246-L250 HydrophobicContact CG2-CG 4.47Å; I246-L250 WeakPolarHBondContact O-CB 3.39Å; I246-L250 WeakPolarHBondContact O-CG 3.34Å; I246-L250 PolarHBondContact O-N 3.36Å; I246-I257 HydrophobicContact CB-CG2 4.31Å; I246-I257 HydrophobicContact CG2-CD1 4.39Å; I246-I257 HydrophobicContact CG2-CG1 4.48Å; I246-I257 HydrophobicContact CG2-CG2 4.02Å; I246-V262 HydrophobicContact CD1-CB 4.21Å; I246-V262 HydrophobicContact CD1-CG1 3.73Å; I246-V262 HydrophobicContact CD1-CG2 3.84Å; I246-L285 HydrophobicContact CG1-CB 4.41Å; I246-L285 HydrophobicContact CG2-CD2 4.48Å; I246-F286 HydrophobicContact CD1-CD1 4.34Å; I246-F286 HydrophobicContact CD1-CE1 3.61Å; I246-F286 HydrophobicContact CD1-CZ 3.73Å
247	A	98.4	Very high	98	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-42.3	176.6	0	0	0	0	0	111.9	Q243 Q244 L250 N251 V252 Y254 I257	Q243-A247 WeakPolarHBondContact O-CB 3.15Å; Q243-A247 PolarHBondContact O-N 3.03Å; Q244-A247 CarbonylContact O-C 3.6Å; Q244-A247 WeakPolarHBondContact O-CA 2.97Å; Q244-A247 WeakPolarHBondContact O-CB 3.23Å; Q244-A247 PolarHBondContact O-N 2.97Å; Q244-A247 VanDerWaalsContact O-N 3.09Å; A247-L250 PolarHBondContact O-N 3.23Å; A247-N251 WeakPolarHBondContact O-CA 3.37Å; A247-N251 PolarHBondContact O-N 3.25Å; A247-V252 HydrophobicContact CB-CG2 4.26Å; A247-V252 PolarHBondContact O-N 3.14Å; A247-Y254 HydrophobicContact CB-CD1 3.43Å; A247-Y254 VanDerWaalsContact CB-CD1 3.43Å; A247-Y254 HydrophobicContact CB-CE1 3.94Å; A247-Y254 HydrophobicContact CB-CG 4.4Å; A247-I257 HydrophobicContact CB-CB 4.24Å; A247-I257 HydrophobicContact CB-CG1 3.63Å
248	D	97.9	Very high	98	Very high	92 Å²	92	54.2 Å²	54.2	49%	0.492	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-49.8	173.7	-69.2	-34.6	0	0	0	111.4	Q244 K245 I246 L250 N251 Y254	Q244-D248 PolarHBondContact O-N 2.97Å; K245-D248 PolarHBondContact O-N 3.27Å; I246-D248 VanDerWaalsContact C-N 3.35Å; D248-L250 VanDerWaalsContact C-N 3.25Å; D248-L250 PolarHBondContact O-N 3.29Å; D248-N251 PolarHBondContact O-N 3.13Å; D248-Y254 VanDerWaalsContact CG-OH 3.31Å; D248-Y254 WeakPolarHBondContact OD1-CE1 3.48Å; D248-Y254 VanDerWaalsContact OD1-CZ 3.25Å; D248-Y254 PolarHBondContact OD1-OH 3.45Å; D248-Y254 PolarHBondContact OD2-OH 2.91Å
249	R	97	Very high	98	Very high	86 Å²	86	53 Å²	53	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-31.3	179.5	-76.9	-173.5	177.6	-166.9	4.5	113.4	W113 K245 I246 R284 L285	W113-R249 HydrophobicContact CH2-CB 4.33Å; W113-R249 HydrophobicContact CZ2-CB 4.17Å; K245-R249 WeakPolarHBondContact O-CB 3.39Å; K245-R249 WeakPolarHBondContact O-CG 3.46Å; K245-R249 PolarHBondContact O-N 3.15Å; I246-R249 PolarHBondContact O-N 2.96Å; R249-R284 PolarHBondContact NH1-O 3.13Å; R249-L285 HydrophobicContact CB-CD2 4.24Å
250	L	97.7	Very high	97.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-88.8	-9.1	176.4	-69.1	172.6	0	0	0	112.8	V103 A107 R108 W113 L114 I246 A247 D248 V252 I257 L285	V103-L250 HydrophobicContact CG1-CD2 4.18Å; V103-L250 HydrophobicContact CG2-CD1 3.99Å; V103-L250 HydrophobicContact CG2-CD2 3.93Å; A107-L250 WeakPolarHBondContact CA-O 3.45Å; A107-L250 HydrophobicContact CB-CB 4.25Å; A107-L250 HydrophobicContact CB-CD2 4.2Å; A107-L250 VanDerWaalsContact CB-O 3.3Å; A107-L250 WeakPolarHBondContact CB-O 3.48Å; R108-L250 PolarHBondContact N-O 3.09Å; R108-L250 VanDerWaalsContact N-O 3.14Å; W113-L250 HydrophobicContact CH2-CD2 3.99Å; W113-L250 HydrophobicContact CZ3-CD2 4.2Å; L114-L250 HydrophobicContact CD1-CD2 3.97Å; I246-L250 HydrophobicContact CG2-CD1 3.76Å; I246-L250 HydrophobicContact CG2-CG 4.47Å; I246-L250 WeakPolarHBondContact O-CB 3.39Å; I246-L250 WeakPolarHBondContact O-CG 3.34Å; I246-L250 PolarHBondContact O-N 3.36Å; A247-L250 PolarHBondContact O-N 3.23Å; D248-L250 VanDerWaalsContact C-N 3.25Å; D248-L250 PolarHBondContact O-N 3.29Å; L250-V252 HydrophobicContact CB-CG1 4.22Å; L250-V252 HydrophobicContact CB-CG2 3.99Å; L250-I257 HydrophobicContact CD1-CD1 4.2Å; L250-L285 HydrophobicContact CD1-CD2 4.37Å; L250-L285 HydrophobicContact CD2-CD2 3.9Å; L250-L285 HydrophobicContact CG-CD2 3.87Å
251	N	97.6	Very high	97.9	Very high	108 Å²	108	55.7 Å²	55.7	58%	0.578	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	51.9	-170.6	-166.5	17.6	0	0	0	112.6	R108 A247 D248	R108-N251 HydrophobicContact CB-CB 4.42Å; R108-N251 WeakPolarHBondContact O-CB 3.31Å; A247-N251 WeakPolarHBondContact O-CA 3.37Å; A247-N251 PolarHBondContact O-N 3.25Å; D248-N251 PolarHBondContact O-N 3.13Å
252	V	97.8	Very high	97.9	Very high	17 Å²	17	50 Å²	50	10%	0.103	25%	0.247	C	C	.	.			trans	-124.2	159.7	176.6	-60.5	0	0	0	0	110.5	A107 A247 L250 L256 I257	A107-V252 HydrophobicContact CB-CG1 4.31Å; A247-V252 HydrophobicContact CB-CG2 4.26Å; A247-V252 PolarHBondContact O-N 3.14Å; L250-V252 HydrophobicContact CB-CG1 4.22Å; L250-V252 HydrophobicContact CB-CG2 3.99Å; V252-L256 HydrophobicContact CB-CD1 4.48Å; V252-I257 HydrophobicContact CG2-CD1 3.88Å; V252-I257 HydrophobicContact CG2-CG1 3.88Å
253	S	97.6	Very high	97.9	Very high	62 Å²	62	50 Å²	50	43%	0.434	25%	0.248	S	C	.	.			trans	-65	139.7	179.2	-166.5	0	0	0	0	112	H255 L256	S253-H255 WeakPolarHBondContact CB-CE1 3.47Å; S253-H255 VanDerWaalsContact CB-ND1 3.34Å; S253-H255 WeakPolarHBondContact CB-ND1 3.43Å; S253-H255 PolarHBondContact O-N 3.45Å; S253-H255 VanDerWaalsContact O-N 3.17Å; S253-H255 PolarHBondContact OG-CE1 3.42Å; S253-H255 PolarHBondContact OG-ND1 3.11Å; S253-L256 WeakPolarHBondContact O-CB 3.33Å; S253-L256 PolarHBondContact O-N 3.11Å
254	Y	97.8	Very high	97.9	Very high	111 Å²	111	48.5 Å²	48.5	44%	0.435	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-57.6	-35	-174.3	-66.4	-3	0	0	0	113.3	Q244 A247 D248 L256 I257	Q244-Y254 HydrophobicContact CB-CE2 4.35Å; Q244-Y254 HydrophobicContact CG-CD2 3.9Å; Q244-Y254 HydrophobicContact CG-CE2 3.98Å; Q244-Y254 HydrophobicContact CG-CG 4.37Å; A247-Y254 HydrophobicContact CB-CD1 3.43Å; A247-Y254 VanDerWaalsContact CB-CD1 3.43Å; A247-Y254 HydrophobicContact CB-CE1 3.94Å; A247-Y254 HydrophobicContact CB-CG 4.4Å; D248-Y254 VanDerWaalsContact CG-OH 3.31Å; D248-Y254 WeakPolarHBondContact OD1-CE1 3.48Å; D248-Y254 VanDerWaalsContact OD1-CZ 3.25Å; D248-Y254 PolarHBondContact OD1-OH 3.45Å; D248-Y254 PolarHBondContact OD2-OH 2.91Å; Y254-L256 PolarHBondContact O-N 3.44Å; Y254-L256 VanDerWaalsContact O-N 3.14Å; Y254-I257 PolarHBondContact O-N 3.05Å; Y254-I257 VanDerWaalsContact O-N 3.16Å
255	H	96.1	Very high	97.9	Very high	145 Å²	145	44.7 Å²	44.7	67%	0.671	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-65.3	-16.1	179.6	72.3	-86.6	0	0	0	113.8	S253	S253-H255 WeakPolarHBondContact CB-CE1 3.47Å; S253-H255 VanDerWaalsContact CB-ND1 3.34Å; S253-H255 WeakPolarHBondContact CB-ND1 3.43Å; S253-H255 PolarHBondContact O-N 3.45Å; S253-H255 VanDerWaalsContact O-N 3.17Å; S253-H255 PolarHBondContact OG-CE1 3.42Å; S253-H255 PolarHBondContact OG-ND1 3.11Å
256	L	97.1	Very high	97.9	Very high	61 Å²	61	42.5 Å²	42.5	32%	0.319	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-83.2	-20.8	178.2	-60	173.4	0	0	0	112.6	L102 V252 S253 Y254 T258	L102-L256 HydrophobicContact CD1-CB 4.21Å; L102-L256 HydrophobicContact CD1-CD1 4.06Å; L102-L256 HydrophobicContact CD2-CB 4.18Å; V252-L256 HydrophobicContact CB-CD1 4.48Å; S253-L256 WeakPolarHBondContact O-CB 3.33Å; S253-L256 PolarHBondContact O-N 3.11Å; Y254-L256 PolarHBondContact O-N 3.44Å; Y254-L256 VanDerWaalsContact O-N 3.14Å; L256-T258 PolarHBondContact O-N 3.17Å
257	I	98.2	Very high	98	Very high	3 Å²	3	43 Å²	43	2%	0.015	22%	0.215	C	C	.	.			trans	-97.7	92.9	-178.6	-56.6	-55.7	0	0	0	109.6	L102 Q243 I246 A247 L250 V252 Y254 V262	L102-I257 HydrophobicContact CD2-CD1 3.82Å; Q243-I257 HydrophobicContact CB-CG2 4.09Å; Q243-I257 HydrophobicContact CG-CG2 4.36Å; Q243-I257 PolarHBondContact NE2-O 2.6Å; I246-I257 HydrophobicContact CB-CG2 4.31Å; I246-I257 HydrophobicContact CG2-CD1 4.39Å; I246-I257 HydrophobicContact CG2-CG1 4.48Å; I246-I257 HydrophobicContact CG2-CG2 4.02Å; A247-I257 HydrophobicContact CB-CB 4.24Å; A247-I257 HydrophobicContact CB-CG1 3.63Å; L250-I257 HydrophobicContact CD1-CD1 4.2Å; V252-I257 HydrophobicContact CG2-CD1 3.88Å; V252-I257 HydrophobicContact CG2-CG1 3.88Å; Y254-I257 PolarHBondContact O-N 3.05Å; Y254-I257 VanDerWaalsContact O-N 3.16Å; I257-V262 HydrophobicContact CG2-CG2 3.72Å
258	T	97.9	Very high	98	Very high	66 Å²	66	43 Å²	43	41%	0.405	22%	0.215	S	C	.	.			trans	-85.9	165.7	171.7	64.1	0	0	0	0	111.2	L256 D260 M261 V262	L256-T258 PolarHBondContact O-N 3.17Å; T258-D260 PolarHBondContact O-N 3.4Å; T258-M261 WeakPolarHBondContact O-CB 3.48Å; T258-M261 PolarHBondContact O-N 3.01Å; T258-M261 PolarHBondContact OG1-N 3.24Å; T258-V262 PolarHBondContact O-N 3.1Å; T258-V262 VanDerWaalsContact O-N 3.08Å
259	Y	97.8	Very high	98	Very high	26 Å²	26	38.6 Å²	38.6	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-51.9	-39.1	171	170.3	-105	0	0	0	112.4	M230 T234 M239 M261 V262 E263 M294 A297	M230-Y259 HydrophobicContact CE-CE1 3.72Å; M230-Y259 VanDerWaalsContact CE-OH 3.29Å; M230-Y259 WeakPolarHBondContact CE-OH 3.44Å; T234-Y259 HydrophobicContact CG2-CD1 3.91Å; T234-Y259 HydrophobicContact CG2-CD2 3.63Å; T234-Y259 HydrophobicContact CG2-CE1 3.84Å; T234-Y259 HydrophobicContact CG2-CE2 3.56Å; T234-Y259 HydrophobicContact CG2-CG 3.8Å; M239-Y259 HydrophobicContact CE-CD2 3.96Å; M239-Y259 HydrophobicContact CE-CE2 3.81Å; M239-Y259 HydrophobicContact CG-CD2 3.96Å; M239-Y259 HydrophobicContact SD-CD2 3.79Å; M239-Y259 HydrophobicContact SD-CE2 4.21Å; Y259-M261 VanDerWaalsContact C-N 3.27Å; Y259-M261 PolarHBondContact O-N 2.71Å; Y259-V262 PolarHBondContact O-N 3.22Å; Y259-V262 VanDerWaalsContact O-N 3.13Å; Y259-E263 HydrophobicContact CE1-CB 4.41Å; Y259-E263 WeakPolarHBondContact O-CB 3.36Å; Y259-E263 PolarHBondContact O-N 2.67Å; Y259-M294 HydrophobicContact CE2-CE 4.37Å; Y259-A297 HydrophobicContact CE2-CB 4.42Å
260	D	97.9	Very high	98.1	Very high	73 Å²	73	34.5 Å²	34.5	39%	0.39	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-34.3	176.9	-95.3	7.3	0	0	0	112.9	K95 T258 A264	K95-D260 WeakPolarHBondContact CE-OD1 3.38Å; K95-D260 VanDerWaalsContact CE-OD2 3.3Å; K95-D260 WeakPolarHBondContact CE-OD2 3.27Å; K95-D260 VanDerWaalsContact NZ-CG 3.29Å; K95-D260 IonicContact NZ-OD1 2.75Å; K95-D260 PolarHBondContact NZ-OD1 2.79Å; K95-D260 IonicContact NZ-OD2 3.26Å; K95-D260 PolarHBondContact NZ-OD2 2.87Å; T258-D260 PolarHBondContact O-N 3.4Å; D260-A264 VanDerWaalsContact O-CB 3.28Å; D260-A264 WeakPolarHBondContact O-CB 3.36Å; D260-A264 PolarHBondContact O-N 3.01Å
261	M	98.4	Very high	98.1	Very high	36 Å²	36	34.5 Å²	34.5	18%	0.177	18%	0.176	C	C	.	.	H	α-helix	trans	-72.3	-39.3	174.5	-62.1	-59.3	176.9	0	0	111.3	K98 L99 T258 Y259 A264 A265	K98-M261 HydrophobicContact CB-CE 4.08Å; K98-M261 HydrophobicContact CB-SD 4.39Å; L99-M261 HydrophobicContact CB-SD 4.02Å; L99-M261 HydrophobicContact CD1-CB 4.3Å; T258-M261 WeakPolarHBondContact O-CB 3.48Å; T258-M261 PolarHBondContact O-N 3.01Å; T258-M261 PolarHBondContact OG1-N 3.24Å; Y259-M261 VanDerWaalsContact C-N 3.27Å; Y259-M261 PolarHBondContact O-N 2.71Å; M261-A264 WeakPolarHBondContact O-CB 3.26Å; M261-A264 PolarHBondContact O-N 2.85Å; M261-A265 PolarHBondContact O-N 3.49Å
262	V	98.7	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-47.3	174.7	179.6	0	0	0	0	111	M239 V242 Q243 I246 I257 T258 Y259 A264 A265 F266 F286 M294	M239-V262 HydrophobicContact SD-CG1 4.34Å; V242-V262 HydrophobicContact CG1-CG1 3.76Å; Q243-V262 HydrophobicContact CB-CG2 4.36Å; Q243-V262 HydrophobicContact CG-CG2 3.62Å; I246-V262 HydrophobicContact CD1-CB 4.21Å; I246-V262 HydrophobicContact CD1-CG1 3.73Å; I246-V262 HydrophobicContact CD1-CG2 3.84Å; I257-V262 HydrophobicContact CG2-CG2 3.72Å; T258-V262 PolarHBondContact O-N 3.1Å; T258-V262 VanDerWaalsContact O-N 3.08Å; Y259-V262 PolarHBondContact O-N 3.22Å; Y259-V262 VanDerWaalsContact O-N 3.13Å; V262-A264 VanDerWaalsContact C-N 3.27Å; V262-A264 PolarHBondContact O-N 3.25Å; V262-A265 PolarHBondContact O-N 2.9Å; V262-F266 WeakPolarHBondContact O-CB 3.49Å; V262-F266 PolarHBondContact O-N 3.03Å; V262-F286 HydrophobicContact CG1-CE1 3.9Å; V262-F286 HydrophobicContact CG1-CZ 4.23Å; V262-M294 HydrophobicContact CG1-CE 4.04Å; V262-M294 HydrophobicContact CG1-SD 3.55Å; V262-M294 VanDerWaalsContact CG1-SD 3.55Å
263	E	98.6	Very high	98.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-40.5	175.2	-169.3	-170.4	-136.7	0	0	110.7	K95 Y259 F266 Y267 M294 K301	K95-E263 IonicContact NZ-OE2 2.99Å; K95-E263 PolarHBondContact NZ-OE2 3.49Å; Y259-E263 HydrophobicContact CE1-CB 4.41Å; Y259-E263 WeakPolarHBondContact O-CB 3.36Å; Y259-E263 PolarHBondContact O-N 2.67Å; E263-F266 PolarHBondContact O-N 2.86Å; E263-Y267 HydrophobicContact CG-CD2 4.02Å; E263-Y267 HydrophobicContact CG-CE1 4.37Å; E263-Y267 HydrophobicContact CG-CE2 3.61Å; E263-Y267 WeakPolarHBondContact O-CB 3.31Å; E263-Y267 VanDerWaalsContact O-CG 3.3Å; E263-Y267 PolarHBondContact O-N 2.83Å; E263-Y267 PolarHBondContact OE1-OH 3.3Å; E263-M294 HydrophobicContact CB-CE 4.5Å; E263-K301 IonicContact OE1-NZ 3.89Å; E263-K301 PolarHBondContact OE1-NZ 3.27Å; E263-K301 VanDerWaalsContact OE1-NZ 3.1Å
264	A	98.7	Very high	98.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-44.6	176.7	0	0	0	0	0	112.9	K95 M96 L99 D260 M261 V262 Y267 L268	K95-A264 HydrophobicContact CB-CB 4.09Å; M96-A264 HydrophobicContact CG-CB 4.37Å; L99-A264 HydrophobicContact CB-CB 4.12Å; L99-A264 HydrophobicContact CD2-CB 4.03Å; D260-A264 VanDerWaalsContact O-CB 3.28Å; D260-A264 WeakPolarHBondContact O-CB 3.36Å; D260-A264 PolarHBondContact O-N 3.01Å; M261-A264 WeakPolarHBondContact O-CB 3.26Å; M261-A264 PolarHBondContact O-N 2.85Å; V262-A264 VanDerWaalsContact C-N 3.27Å; V262-A264 PolarHBondContact O-N 3.25Å; A264-Y267 PolarHBondContact O-N 3.02Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.37Å
265	A	98.6	Very high	98	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-45.9	176.9	0	0	0	0	0	110.9	L99 M261 V262 Y267 L268 C269 L285 F286	L99-A265 HydrophobicContact CD2-CB 3.49Å; L99-A265 VanDerWaalsContact CD2-CB 3.49Å; L99-A265 VanDerWaalsContact CD2-N 3.28Å; M261-A265 PolarHBondContact O-N 3.49Å; V262-A265 PolarHBondContact O-N 2.9Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.48Å; A265-L268 PolarHBondContact O-N 3.32Å; A265-C269 PolarHBondContact O-N 2.93Å; A265-C269 VanDerWaalsContact O-N 3.16Å; A265-L285 HydrophobicContact CB-CD1 3.85Å; A265-F286 HydrophobicContact CB-CE2 3.79Å; A265-F286 HydrophobicContact CB-CZ 3.8Å
266	F	98.8	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-41.6	177.7	-171.2	-100.8	0	0	0	111.3	I36 Y39 F40 V262 E263 C269 A270 F286 M294 L298	I36-F266 HydrophobicContact CD1-CD2 4.05Å; I36-F266 HydrophobicContact CD1-CE2 3.83Å; Y39-F266 WeakPolarHBondContact O-CZ 3.23Å; F40-F266 HydrophobicContact CD1-CD1 4.41Å; F40-F266 AromaticContact CD1-CE1 3.74Å; F40-F266 HydrophobicContact CD1-CE1 3.74Å; F40-F266 HydrophobicContact CD1-CE2 4.05Å; F40-F266 AromaticContact CD1-CZ 3.54Å; F40-F266 HydrophobicContact CD1-CZ 3.54Å; F40-F266 HydrophobicContact CE1-CE2 4.21Å; F40-F266 HydrophobicContact CE1-CZ 4.16Å; V262-F266 WeakPolarHBondContact O-CB 3.49Å; V262-F266 PolarHBondContact O-N 3.03Å; E263-F266 PolarHBondContact O-N 2.86Å; F266-C269 WeakPolarHBondContact O-CB 3.42Å; F266-C269 PolarHBondContact O-N 2.96Å; F266-A270 WeakPolarHBondContact O-CB 3.32Å; F266-A270 PolarHBondContact O-N 3.16Å; F266-F286 HydrophobicContact CB-CE1 4.23Å; F266-F286 HydrophobicContact CB-CE2 4.16Å; F266-F286 HydrophobicContact CB-CZ 3.71Å; F266-F286 HydrophobicContact CD2-CD1 4.24Å; F266-F286 HydrophobicContact CD2-CE1 4.08Å; F266-F286 HydrophobicContact CD2-CE2 4.45Å; F266-F286 HydrophobicContact CD2-CG 4.48Å; F266-F286 HydrophobicContact CD2-CZ 4.21Å; F266-F286 HydrophobicContact CG-CZ 4.5Å; F266-M294 HydrophobicContact CB-CE 3.84Å; F266-M294 HydrophobicContact CD1-CE 4.23Å; F266-M294 HydrophobicContact CD2-CB 3.87Å; F266-M294 HydrophobicContact CD2-CE 4.43Å; F266-M294 HydrophobicContact CD2-CG 3.8Å; F266-M294 HydrophobicContact CE1-CB 4.29Å; F266-M294 HydrophobicContact CE2-CB 3.6Å; F266-M294 HydrophobicContact CE2-CG 4.02Å; F266-M294 HydrophobicContact CG-CB 4.31Å; F266-M294 HydrophobicContact CG-CE 3.93Å; F266-M294 HydrophobicContact CG-CG 4.26Å; F266-M294 HydrophobicContact CZ-CB 3.82Å; F266-L298 HydrophobicContact CD1-CD1 4.27Å; F266-L298 HydrophobicContact CE1-CD1 3.77Å
267	Y	98.6	Very high	97.8	Very high	12 Å²	12	18.9 Å²	18.9	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-71.7	-35.2	176.2	-73.8	-12	0	0	0	113.7	K43 N92 E263 A264 A265 C269 A270 Y271 L298	K43-Y267 HydrophobicContact CG-CD1 4.19Å; K43-Y267 HydrophobicContact CG-CE1 3.93Å; N92-Y267 WeakPolarHBondContact ND2-CD2 3.1Å; N92-Y267 VanDerWaalsContact ND2-CE2 3.32Å; N92-Y267 WeakPolarHBondContact ND2-CE2 3.37Å; E263-Y267 HydrophobicContact CG-CD2 4.02Å; E263-Y267 HydrophobicContact CG-CE1 4.37Å; E263-Y267 HydrophobicContact CG-CE2 3.61Å; E263-Y267 WeakPolarHBondContact O-CB 3.31Å; E263-Y267 VanDerWaalsContact O-CG 3.3Å; E263-Y267 PolarHBondContact O-N 2.83Å; E263-Y267 PolarHBondContact OE1-OH 3.3Å; A264-Y267 PolarHBondContact O-N 3.02Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.48Å; Y267-C269 VanDerWaalsContact C-N 3.27Å; Y267-C269 PolarHBondContact O-N 3.14Å; Y267-A270 PolarHBondContact O-N 3.37Å; Y267-Y271 HydrophobicContact CD2-CE2 4.44Å; Y267-Y271 HydrophobicContact CG-CE2 4.18Å; Y267-Y271 WeakPolarHBondContact O-CB 3.48Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.21Å; Y267-Y271 PolarHBondContact O-N 2.99Å; Y267-L298 HydrophobicContact CE1-CD1 4.28Å; Y267-L298 HydrophobicContact CE1-CD2 4.46Å; Y267-L298 WeakPolarHBondContact OH-CD2 3.48Å
268	L	98.6	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.3	-47.3	172.2	-79.6	166.7	0	0	0	110.5	M96 L99 W121 M123 Y125 A264 A265 E272 W282	M96-L268 HydrophobicContact CB-CD1 4.27Å; M96-L268 HydrophobicContact CB-CD2 4.06Å; M96-L268 HydrophobicContact CB-CG 4.1Å; M96-L268 HydrophobicContact CG-CD1 4.42Å; M96-L268 HydrophobicContact CG-CD2 4.03Å; M96-L268 HydrophobicContact CG-CG 3.83Å; M96-L268 HydrophobicContact SD-CD2 3.6Å; M96-L268 VanDerWaalsContact SD-CD2 3.6Å; M96-L268 HydrophobicContact SD-CG 3.88Å; L99-L268 HydrophobicContact CD2-CD1 3.98Å; W121-L268 HydrophobicContact CH2-CD2 3.75Å; W121-L268 HydrophobicContact CZ2-CD2 3.87Å; M123-L268 HydrophobicContact CE-CD2 4.44Å; Y125-L268 HydrophobicContact CD2-CD2 4Å; Y125-L268 HydrophobicContact CE2-CD2 3.95Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.37Å; A265-L268 PolarHBondContact O-N 3.32Å; L268-E272 WeakPolarHBondContact O-CB 3.36Å; L268-E272 WeakPolarHBondContact O-CG 3.44Å; L268-E272 PolarHBondContact O-N 2.87Å; L268-E272 VanDerWaalsContact O-N 3.09Å; L268-W282 HydrophobicContact CB-CB 3.91Å; L268-W282 HydrophobicContact CB-CD2 4.13Å; L268-W282 HydrophobicContact CB-CG 3.7Å; L268-W282 HydrophobicContact CD1-CD2 3.61Å; L268-W282 HydrophobicContact CD1-CE3 3.84Å; L268-W282 HydrophobicContact CD1-CG 4.1Å; L268-W282 HydrophobicContact CD1-CH2 4.18Å; L268-W282 HydrophobicContact CD1-CZ2 3.95Å; L268-W282 HydrophobicContact CD1-CZ3 4.12Å; L268-W282 HydrophobicContact CG-CD2 4.46Å; L268-W282 HydrophobicContact CG-CG 4.46Å
269	C	98.4	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.7	-53.8	172.8	175	0	0	0	0	112.2	F40 A265 F266 Y267 Y271 E272 F273 W282 C283	F40-C269 HydrophobicContact CE1-CB 4.45Å; F40-C269 WeakPolarHBondContact CZ-SG 2.98Å; A265-C269 PolarHBondContact O-N 2.93Å; A265-C269 VanDerWaalsContact O-N 3.16Å; F266-C269 WeakPolarHBondContact O-CB 3.42Å; F266-C269 PolarHBondContact O-N 2.96Å; Y267-C269 VanDerWaalsContact C-N 3.27Å; Y267-C269 PolarHBondContact O-N 3.14Å; C269-Y271 PolarHBondContact O-N 2.74Å; C269-E272 PolarHBondContact O-N 3.42Å; C269-F273 WeakPolarHBondContact O-CB 3.24Å; C269-F273 PolarHBondContact O-N 2.92Å; C269-W282 HydrophobicContact CB-CB 4.43Å; C269-C283 VanDerWaalsContact CA-SG 3.52Å; C269-C283 HydrophobicContact CB-CB 3.95Å; C269-C283 WeakPolarHBondContact CB-SG 3.44Å; C269-C283 WeakPolarHBondContact SG-CA 3.19Å; C269-C283 WeakPolarHBondContact SG-CB 3.41Å; C269-C283 CovalentContact SG-SG 2.02Å; C269-C283 PolarHBondContact SG-SG 2.64Å
270	A	98.4	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-45.5	-176.3	0	0	0	0	0	113.3	F40 K43 F266 Y267 A274	F40-A270 HydrophobicContact CB-CB 4.02Å; F40-A270 HydrophobicContact CD1-CB 3.44Å; F40-A270 VanDerWaalsContact CD1-CB 3.44Å; F40-A270 HydrophobicContact CD2-CB 4Å; F40-A270 HydrophobicContact CE1-CB 3.82Å; F40-A270 HydrophobicContact CE2-CB 4.32Å; F40-A270 HydrophobicContact CG-CB 3.57Å; F40-A270 HydrophobicContact CZ-CB 4.27Å; K43-A270 HydrophobicContact CB-CB 4.03Å; F266-A270 WeakPolarHBondContact O-CB 3.32Å; F266-A270 PolarHBondContact O-N 3.16Å; Y267-A270 PolarHBondContact O-N 3.37Å; A270-A274 WeakPolarHBondContact O-CB 3.22Å; A270-A274 PolarHBondContact O-N 2.61Å
271	Y	98.4	Very high	97.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-71.5	-39.9	-179.1	-78.2	-74.4	0	0	0	111.9	K43 R86 P88 M96 Y125 Y267 C269 F273 A274 I275 Y392	K43-Y271 HydrophobicContact CD-CE1 4.34Å; K43-Y271 HydrophobicContact CD-CE2 4.48Å; R86-Y271 PolarHBondContact NH1-OH 2.93Å; R86-Y271 VanDerWaalsContact NH1-OH 3.15Å; P88-Y271 HydrophobicContact CB-CD2 4.11Å; P88-Y271 HydrophobicContact CB-CE1 4.19Å; P88-Y271 HydrophobicContact CB-CE2 3.75Å; P88-Y271 HydrophobicContact CG-CD1 3.93Å; P88-Y271 HydrophobicContact CG-CD2 3.66Å; P88-Y271 HydrophobicContact CG-CE1 4.06Å; P88-Y271 HydrophobicContact CG-CE2 3.84Å; P88-Y271 HydrophobicContact CG-CG 3.73Å; M96-Y271 HydrophobicContact CE-CD2 3.59Å; M96-Y271 HydrophobicContact CE-CE2 3.71Å; Y125-Y271 WeakPolarHBondContact OH-CB 3.42Å; Y267-Y271 HydrophobicContact CD2-CE2 4.44Å; Y267-Y271 HydrophobicContact CG-CE2 4.18Å; Y267-Y271 WeakPolarHBondContact O-CB 3.48Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.21Å; Y267-Y271 PolarHBondContact O-N 2.99Å; C269-Y271 PolarHBondContact O-N 2.74Å; Y271-F273 VanDerWaalsContact C-N 3.35Å; Y271-A274 PolarHBondContact O-N 3.05Å; Y271-I275 HydrophobicContact CD1-CD1 4.29Å; Y271-I275 VanDerWaalsContact O-CB 3.22Å; Y271-I275 WeakPolarHBondContact O-CB 3.35Å; Y271-I275 WeakPolarHBondContact O-CD1 3.27Å; Y271-I275 WeakPolarHBondContact O-CG1 3.46Å; Y271-I275 PolarHBondContact O-N 2.77Å; Y271-Y392 WeakPolarHBondContact CE1-OH 3.46Å
272	E	97.1	Very high	97.4	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.023	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-41.2	176.2	-72.7	-150.6	114.7	0	0	111.8	W121 W124 Y125 L268 C269 K276 V278 S280	W121-E272 VanDerWaalsContact NE1-CD 3.33Å; W121-E272 PolarHBondContact NE1-OE1 2.93Å; W121-E272 PolarHBondContact NE1-OE2 2.95Å; W124-E272 PolarHBondContact NE1-OE1 2.8Å; W124-E272 VanDerWaalsContact NE1-OE1 3.14Å; Y125-E272 HydrophobicContact CE2-CG 4.3Å; Y125-E272 PolarHBondContact OH-N 2.85Å; L268-E272 WeakPolarHBondContact O-CB 3.36Å; L268-E272 WeakPolarHBondContact O-CG 3.44Å; L268-E272 PolarHBondContact O-N 2.87Å; L268-E272 VanDerWaalsContact O-N 3.09Å; C269-E272 PolarHBondContact O-N 3.42Å; E272-K276 WeakPolarHBondContact O-CA 3.49Å; E272-K276 WeakPolarHBondContact O-CB 3.36Å; E272-K276 PolarHBondContact O-N 3.03Å; E272-K276 IonicContact OE1-NZ 2.74Å; E272-K276 PolarHBondContact OE1-NZ 3.25Å; E272-V278 HydrophobicContact CB-CG2 4.15Å; E272-S280 WeakPolarHBondContact OE2-CB 3.36Å; E272-S280 PolarHBondContact OE2-OG 3.15Å
273	F	97.9	Very high	97.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.4	-47.6	172.8	-178.8	-117.7	0	0	0	111.8	N32 I33 P34 A37 F40 R45 E48 C269 Y271 I275 T277 V278	N32-F273 WeakPolarHBondContact O-CD2 3.3Å; N32-F273 WeakPolarHBondContact O-CE2 3.5Å; I33-F273 HydrophobicContact CB-CE2 4.29Å; I33-F273 HydrophobicContact CB-CZ 4.32Å; I33-F273 HydrophobicContact CG1-CE2 4.1Å; I33-F273 HydrophobicContact CG1-CZ 4.15Å; I33-F273 HydrophobicContact CG2-CE2 4.38Å; I33-F273 HydrophobicContact CG2-CZ 3.96Å; P34-F273 VanDerWaalsContact CD-CE2 3.4Å; P34-F273 HydrophobicContact CG-CB 4.17Å; P34-F273 HydrophobicContact CG-CD2 3.98Å; P34-F273 HydrophobicContact CG-CG 4.01Å; A37-F273 HydrophobicContact CB-CD1 4.31Å; A37-F273 HydrophobicContact CB-CE1 3.66Å; A37-F273 HydrophobicContact CB-CZ 4.03Å; F40-F273 HydrophobicContact CD2-CD1 4.19Å; F40-F273 HydrophobicContact CE2-CB 4.16Å; F40-F273 AromaticContact CE2-CD1 3.69Å; F40-F273 HydrophobicContact CE2-CD1 3.69Å; F40-F273 HydrophobicContact CE2-CE1 4.47Å; F40-F273 HydrophobicContact CE2-CG 4.23Å; R45-F273 HydrophobicContact CG-CD1 4.33Å; R45-F273 HydrophobicContact CG-CE1 4.28Å; R45-F273 VanDerWaalsContact NE-CE1 3.27Å; E48-F273 HydrophobicContact CG-CE1 4.3Å; E48-F273 WeakPolarHBondContact OE1-CE1 3.44Å; E48-F273 WeakPolarHBondContact OE1-CZ 3.32Å; C269-F273 WeakPolarHBondContact O-CB 3.24Å; C269-F273 PolarHBondContact O-N 2.92Å; Y271-F273 VanDerWaalsContact C-N 3.35Å; F273-I275 PolarHBondContact O-N 3.11Å; F273-T277 WeakPolarHBondContact O-CA 3.37Å; F273-T277 PolarHBondContact O-N 3.19Å; F273-V278 WeakPolarHBondContact CA-O 3.31Å
274	A	97.5	Very high	97.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-178.2	0	0	0	0	0	113.3	R45 T85 K136 A270 Y271 Y392	R45-A274 HydrophobicContact CG-CB 3.99Å; T85-A274 HydrophobicContact CG2-CB 4.02Å; K136-A274 WeakPolarHBondContact CG-O 3.47Å; A270-A274 WeakPolarHBondContact O-CB 3.22Å; A270-A274 PolarHBondContact O-N 2.61Å; Y271-A274 PolarHBondContact O-N 3.05Å; A274-Y392 HydrophobicContact CB-CD2 4.42Å; A274-Y392 HydrophobicContact CB-CE2 4.17Å
275	I	97.3	Very high	97.2	Very high	26 Å²	26	20.1 Å²	20.1	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-85.3	-43.3	-174.4	-63.9	167.8	0	0	0	111.6	T85 Y87 W124 Y125 V134 Y271 F273	T85-I275 HydrophobicContact CG2-CG1 4.07Å; Y87-I275 HydrophobicContact CD1-CD1 3.76Å; Y87-I275 HydrophobicContact CE1-CD1 4.15Å; Y87-I275 HydrophobicContact CE1-CG2 4.45Å; W124-I275 HydrophobicContact CH2-CG2 4.38Å; Y125-I275 HydrophobicContact CE1-CD1 4.05Å; V134-I275 HydrophobicContact CB-CG2 4.33Å; V134-I275 HydrophobicContact CG1-CD1 4.21Å; V134-I275 HydrophobicContact CG1-CG1 4.14Å; V134-I275 HydrophobicContact CG1-CG2 4.17Å; V134-I275 HydrophobicContact CG2-CG1 4.17Å; V134-I275 HydrophobicContact CG2-CG2 4.26Å; Y271-I275 HydrophobicContact CD1-CD1 4.29Å; Y271-I275 VanDerWaalsContact O-CB 3.22Å; Y271-I275 WeakPolarHBondContact O-CB 3.35Å; Y271-I275 WeakPolarHBondContact O-CD1 3.27Å; Y271-I275 WeakPolarHBondContact O-CG1 3.46Å; Y271-I275 PolarHBondContact O-N 2.77Å; F273-I275 PolarHBondContact O-N 3.11Å
276	K	94.6	Very high	97.2	Very high	93 Å²	93	20.4 Å²	20.4	40%	0.404	10%	0.098	S	C	.	.	H	α-helix	trans	-109.6	-10	-170.4	-57.5	176.3	178.7	168	0	113.6	W124 E272 V278	W124-K276 HydrophobicContact CZ2-CD 4.36Å; E272-K276 WeakPolarHBondContact O-CA 3.49Å; E272-K276 WeakPolarHBondContact O-CB 3.36Å; E272-K276 PolarHBondContact O-N 3.03Å; E272-K276 IonicContact OE1-NZ 2.74Å; E272-K276 PolarHBondContact OE1-NZ 3.25Å; K276-V278 VanDerWaalsContact C-N 3.29Å; K276-V278 HydrophobicContact CB-CB 4.47Å; K276-V278 HydrophobicContact CB-CG1 3.93Å; K276-V278 HydrophobicContact CB-CG2 3.89Å; K276-V278 HydrophobicContact CD-CG2 4.29Å; K276-V278 PolarHBondContact O-N 3.09Å
277	T	94.3	Very high	97.1	Very high	53 Å²	53	22.8 Å²	22.8	33%	0.325	11%	0.11	S	C	.	.			trans	56.8	44.2	-172	-55.1	0	0	0	0	111.6	R45 F273	R45-T277 PolarHBondContact NH1-OG1 2.8Å; F273-T277 WeakPolarHBondContact O-CA 3.37Å; F273-T277 PolarHBondContact O-N 3.19Å
278	V	94.3	Very high	97.1	Very high	51 Å²	51	26.1 Å²	26.1	31%	0.309	13%	0.126	S	C	.	.			trans	-120.9	145.7	178.3	-58.1	0	0	0	0	111.3	N32 E272 F273 K276 S280	N32-V278 CarbonylContact O-C 3.47Å; E272-V278 HydrophobicContact CB-CG2 4.15Å; F273-V278 WeakPolarHBondContact CA-O 3.31Å; K276-V278 VanDerWaalsContact C-N 3.29Å; K276-V278 HydrophobicContact CB-CB 4.47Å; K276-V278 HydrophobicContact CB-CG1 3.93Å; K276-V278 HydrophobicContact CB-CG2 3.89Å; K276-V278 HydrophobicContact CD-CG2 4.29Å; K276-V278 PolarHBondContact O-N 3.09Å; V278-S280 PolarHBondContact O-N 3.26Å; V278-S280 VanDerWaalsContact O-N 3.16Å
279	N	95.9	Very high	97.1	Very high	35 Å²	35	30.3 Å²	30.3	19%	0.187	15%	0.148	C	C	.	.			trans	-83.3	86.9	169.1	-170.3	2.3	0	0	0	108.9	P31 N32 P34 C283	P31-N279 VanDerWaalsContact O-CB 3.29Å; P31-N279 WeakPolarHBondContact O-CB 3.5Å; P31-N279 PolarHBondContact O-ND2 2.83Å; P31-N279 VanDerWaalsContact O-ND2 3.14Å; N32-N279 PolarHBondContact O-N 2.65Å; P34-N279 HydrophobicContact CG-CB 4.38Å; N279-C283 WeakPolarHBondContact OD1-CB 3.32Å
280	S	96.4	Very high	97.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	15%	0.148	C	C	.	.			trans	-56.8	146.1	-178	177.4	0	0	0	0	112	E272 V278 W282 C283	E272-S280 WeakPolarHBondContact OE2-CB 3.36Å; E272-S280 PolarHBondContact OE2-OG 3.15Å; V278-S280 PolarHBondContact O-N 3.26Å; V278-S280 VanDerWaalsContact O-N 3.16Å; S280-W282 PolarHBondContact O-N 3.04Å; S280-W282 VanDerWaalsContact O-N 3.1Å; S280-W282 VanDerWaalsContact OG-CD1 3.26Å; S280-W282 PolarHBondContact OG-N 3.48Å; S280-C283 WeakPolarHBondContact O-CB 3.41Å; S280-C283 PolarHBondContact O-N 2.81Å; S280-C283 PolarHBondContact O-SG 2.93Å
281	P	97.1	Very high	97.1	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.039	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.3	173.7	27.3	-37.4	0	0	0	112.3	W113 E116 I117 C283 R284	W113-P281 HydrophobicContact CB-CB 4.25Å; W113-P281 WeakPolarHBondContact O-CB 3.39Å; E116-P281 HydrophobicContact CB-CB 4.37Å; E116-P281 HydrophobicContact CG-CB 4.44Å; E116-P281 HydrophobicContact CG-CG 4.18Å; E116-P281 WeakPolarHBondContact OE1-CD 3.46Å; E116-P281 WeakPolarHBondContact OE1-CG 3.48Å; I117-P281 HydrophobicContact CD1-CB 4.14Å; I117-P281 HydrophobicContact CD1-CG 4.44Å; I117-P281 HydrophobicContact CG1-CB 3.77Å; I117-P281 HydrophobicContact CG1-CG 3.71Å; P281-C283 PolarHBondContact O-N 2.86Å; P281-R284 VanDerWaalsContact O-CB 3.31Å; P281-R284 WeakPolarHBondContact O-CB 3.29Å; P281-R284 PolarHBondContact O-N 2.88Å
282	W	98	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.9	172.1	-64.8	102.5	0	0	0	113.4	L99 Y100 V103 I117 W121 L268 C269 S280 R284 L285	L99-W282 HydrophobicContact CD2-CE3 4.18Å; L99-W282 HydrophobicContact CD2-CZ3 3.77Å; L99-W282 HydrophobicContact CG-CH2 4.41Å; L99-W282 HydrophobicContact CG-CZ3 3.97Å; Y100-W282 HydrophobicContact CD2-CH2 4.2Å; Y100-W282 AromaticContact CD2-CZ2 3.81Å; Y100-W282 HydrophobicContact CD2-CZ2 3.81Å; V103-W282 HydrophobicContact CB-CH2 4.2Å; V103-W282 HydrophobicContact CG1-CH2 4.37Å; V103-W282 HydrophobicContact CG2-CH2 3.98Å; V103-W282 HydrophobicContact CG2-CZ3 3.96Å; I117-W282 HydrophobicContact CD1-CD2 3.88Å; I117-W282 HydrophobicContact CD1-CE3 4Å; I117-W282 HydrophobicContact CD1-CG 4.34Å; I117-W282 HydrophobicContact CD1-CH2 4.44Å; I117-W282 HydrophobicContact CD1-CZ2 4.33Å; I117-W282 HydrophobicContact CD1-CZ3 4.28Å; I117-W282 HydrophobicContact CG1-CD2 4.4Å; I117-W282 HydrophobicContact CG1-CZ2 4.33Å; I117-W282 HydrophobicContact CG2-CH2 3.72Å; I117-W282 HydrophobicContact CG2-CZ2 3.5Å; W121-W282 AromaticContact CD2-NE1 3.38Å; W121-W282 AromaticContact CE2-CD1 3.82Å; W121-W282 AromaticContact CE2-NE1 3.22Å; W121-W282 HydrophobicContact CE3-CZ2 4.06Å; W121-W282 AromaticContact CE3-NE1 3.66Å; W121-W282 AromaticContact CG-NE1 3.98Å; W121-W282 HydrophobicContact CH2-CZ2 4.43Å; W121-W282 AromaticContact CH2-NE1 3.69Å; W121-W282 AromaticContact CZ2-NE1 3.41Å; W121-W282 AromaticContact CZ3-CZ2 3.97Å; W121-W282 HydrophobicContact CZ3-CZ2 3.97Å; W121-W282 AromaticContact CZ3-NE1 3.81Å; W121-W282 AromaticContact NE1-CD1 3.87Å; W121-W282 AromaticContact NE1-NE1 3.68Å; L268-W282 HydrophobicContact CB-CB 3.91Å; L268-W282 HydrophobicContact CB-CD2 4.13Å; L268-W282 HydrophobicContact CB-CG 3.7Å; L268-W282 HydrophobicContact CD1-CD2 3.61Å; L268-W282 HydrophobicContact CD1-CE3 3.84Å; L268-W282 HydrophobicContact CD1-CG 4.1Å; L268-W282 HydrophobicContact CD1-CH2 4.18Å; L268-W282 HydrophobicContact CD1-CZ2 3.95Å; L268-W282 HydrophobicContact CD1-CZ3 4.12Å; L268-W282 HydrophobicContact CG-CD2 4.46Å; L268-W282 HydrophobicContact CG-CG 4.46Å; C269-W282 HydrophobicContact CB-CB 4.43Å; S280-W282 PolarHBondContact O-N 3.04Å; S280-W282 VanDerWaalsContact O-N 3.1Å; S280-W282 VanDerWaalsContact OG-CD1 3.26Å; S280-W282 PolarHBondContact OG-N 3.48Å; W282-R284 PolarHBondContact O-N 2.7Å; W282-L285 HydrophobicContact CE3-CD1 3.86Å; W282-L285 HydrophobicContact CZ3-CD1 4.32Å; W282-L285 WeakPolarHBondContact O-CB 3.27Å; W282-L285 PolarHBondContact O-N 2.76Å
283	C	97.9	Very high	97.1	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.034	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-67.4	-24.2	175.3	-58.7	0	0	0	0	112.4	P34 C269 N279 S280 P281 L285 F286	P34-C283 HydrophobicContact CB-CB 4.12Å; P34-C283 HydrophobicContact CG-CB 4.36Å; C269-C283 VanDerWaalsContact CA-SG 3.52Å; C269-C283 HydrophobicContact CB-CB 3.95Å; C269-C283 WeakPolarHBondContact CB-SG 3.44Å; C269-C283 WeakPolarHBondContact SG-CA 3.19Å; C269-C283 WeakPolarHBondContact SG-CB 3.41Å; C269-C283 CovalentContact SG-SG 2.02Å; C269-C283 PolarHBondContact SG-SG 2.64Å; N279-C283 WeakPolarHBondContact OD1-CB 3.32Å; S280-C283 WeakPolarHBondContact O-CB 3.41Å; S280-C283 PolarHBondContact O-N 2.81Å; S280-C283 PolarHBondContact O-SG 2.93Å; P281-C283 PolarHBondContact O-N 2.86Å; C283-L285 PolarHBondContact O-N 3.16Å; C283-F286 PolarHBondContact O-N 3.07Å
284	R	96.5	Very high	97.2	Very high	134 Å²	134	32.6 Å²	32.6	51%	0.506	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-72.4	-4.5	178.7	-56.9	-61.1	-171.7	171	1.5	113.3	W113 R249 P281 W282 F286	W113-R284 HydrophobicContact CB-CB 3.83Å; W113-R284 HydrophobicContact CB-CG 3.68Å; W113-R284 HydrophobicContact CD2-CB 3.79Å; W113-R284 HydrophobicContact CE3-CB 4.24Å; W113-R284 HydrophobicContact CG-CB 3.56Å; W113-R284 HydrophobicContact CG-CG 3.97Å; R249-R284 PolarHBondContact NH1-O 3.13Å; P281-R284 VanDerWaalsContact O-CB 3.31Å; P281-R284 WeakPolarHBondContact O-CB 3.29Å; P281-R284 PolarHBondContact O-N 2.88Å; W282-R284 PolarHBondContact O-N 2.7Å; R284-F286 VanDerWaalsContact C-N 3.26Å
285	L	97.3	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-75.7	-16	170.1	-70.7	172.6	0	0	0	113.4	W113 I246 R249 L250 A265 W282 C283	W113-L285 HydrophobicContact CH2-CD2 3.4Å; W113-L285 VanDerWaalsContact CH2-CD2 3.4Å; W113-L285 HydrophobicContact CH2-CG 4.29Å; W113-L285 HydrophobicContact CZ2-CD2 4.34Å; W113-L285 HydrophobicContact CZ3-CD2 3.58Å; W113-L285 HydrophobicContact CZ3-CG 4.01Å; I246-L285 HydrophobicContact CG1-CB 4.41Å; I246-L285 HydrophobicContact CG2-CD2 4.48Å; R249-L285 HydrophobicContact CB-CD2 4.24Å; L250-L285 HydrophobicContact CD1-CD2 4.37Å; L250-L285 HydrophobicContact CD2-CD2 3.9Å; L250-L285 HydrophobicContact CG-CD2 3.87Å; A265-L285 HydrophobicContact CB-CD1 3.85Å; W282-L285 HydrophobicContact CE3-CD1 3.86Å; W282-L285 HydrophobicContact CZ3-CD1 4.32Å; W282-L285 WeakPolarHBondContact O-CB 3.27Å; W282-L285 PolarHBondContact O-N 2.76Å; C283-L285 PolarHBondContact O-N 3.16Å
286	F	98.3	Very high	97.3	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.026	15%	0.153	C	C	.	.			trans	-123.1	149.1	-172.5	-58.8	-88.5	0	0	0	110.9	I36 V242 I246 V262 A265 F266 C283 R284 D290 M294	I36-F286 HydrophobicContact CD1-CB 3.79Å; I36-F286 HydrophobicContact CD1-CD2 4.21Å; I36-F286 HydrophobicContact CD1-CG 4.1Å; I36-F286 HydrophobicContact CG2-CB 4.26Å; V242-F286 HydrophobicContact CG1-CE1 4.28Å; I246-F286 HydrophobicContact CD1-CD1 4.34Å; I246-F286 HydrophobicContact CD1-CE1 3.61Å; I246-F286 HydrophobicContact CD1-CZ 3.73Å; V262-F286 HydrophobicContact CG1-CE1 3.9Å; V262-F286 HydrophobicContact CG1-CZ 4.23Å; A265-F286 HydrophobicContact CB-CE2 3.79Å; A265-F286 HydrophobicContact CB-CZ 3.8Å; F266-F286 HydrophobicContact CB-CE1 4.23Å; F266-F286 HydrophobicContact CB-CE2 4.16Å; F266-F286 HydrophobicContact CB-CZ 3.71Å; F266-F286 HydrophobicContact CD2-CD1 4.24Å; F266-F286 HydrophobicContact CD2-CE1 4.08Å; F266-F286 HydrophobicContact CD2-CE2 4.45Å; F266-F286 HydrophobicContact CD2-CG 4.48Å; F266-F286 HydrophobicContact CD2-CZ 4.21Å; F266-F286 HydrophobicContact CG-CZ 4.5Å; C283-F286 PolarHBondContact O-N 3.07Å; R284-F286 VanDerWaalsContact C-N 3.26Å; F286-D290 HydrophobicContact CB-CB 4.24Å; F286-D290 HydrophobicContact CD1-CB 3.89Å; F286-M294 HydrophobicContact CE1-CG 4.2Å
287	D	97.5	Very high	97.5	Very high	50 Å²	50	27.1 Å²	27.1	27%	0.267	13%	0.134	S	C	.	.			trans	-113	-176.8	158.4	67	20.9	0	0	0	111.6	I36 K245 I289 D290 G291	I36-D287 WeakPolarHBondContact CG2-O 3.41Å; K245-D287 IonicContact NZ-OD1 3.82Å; K245-D287 PolarHBondContact NZ-OD1 3.16Å; K245-D287 VanDerWaalsContact NZ-OD1 3.15Å; K245-D287 IonicContact NZ-OD2 3.67Å; K245-D287 PolarHBondContact NZ-OD2 2.91Å; D287-I289 VanDerWaalsContact C-N 3.27Å; D287-I289 PolarHBondContact O-N 3.38Å; D287-I289 WeakPolarHBondContact OD1-CB 3.44Å; D287-I289 PolarHBondContact OD1-N 3.21Å; D287-D290 PolarHBondContact N-OD2 3.48Å; D287-D290 PolarHBondContact O-N 2.97Å; D287-D290 VanDerWaalsContact OD1-CG 3.3Å; D287-D290 PolarHBondContact OD1-N 2.88Å; D287-D290 VanDerWaalsContact OD1-N 3.08Å; D287-G291 PolarHBondContact O-N 3.23Å
288	E	97.5	Very high	97.7	Very high	83 Å²	83	25 Å²	25	39%	0.388	12%	0.12	S	C	.	.	H	α-helix	trans	-58.3	-36.5	-178.4	174.4	161.5	-147.6	0	0	113.1	K38 Y39 G291 Q292	K38-E288 WeakPolarHBondContact CE-OE1 3.31Å; K38-E288 IonicContact NZ-OE1 2.7Å; K38-E288 PolarHBondContact NZ-OE1 3Å; Y39-E288 HydrophobicContact CE2-CG 3.84Å; Y39-E288 PolarHBondContact OH-OE1 3.05Å; E288-G291 PolarHBondContact O-N 3.25Å; E288-Q292 WeakPolarHBondContact O-CG 3.3Å; E288-Q292 PolarHBondContact O-N 3.13Å
289	I	98	Very high	97.9	Very high	88 Å²	88	22.5 Å²	22.5	45%	0.451	11%	0.106	S	C	.	.	H	α-helix	trans	-68	-43.2	179	-60.7	174.9	0	0	0	109.7	D287 G291 Q292 V293	D287-I289 VanDerWaalsContact C-N 3.27Å; D287-I289 PolarHBondContact O-N 3.38Å; D287-I289 WeakPolarHBondContact OD1-CB 3.44Å; D287-I289 PolarHBondContact OD1-N 3.21Å; I289-G291 VanDerWaalsContact C-N 3.3Å; I289-G291 PolarHBondContact O-N 2.9Å; I289-Q292 PolarHBondContact O-N 2.91Å; I289-V293 WeakPolarHBondContact O-CG2 3.03Å; I289-V293 PolarHBondContact O-N 2.93Å
290	D	98.5	Very high	98	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-38.9	175.7	-49	-39.9	0	0	0	110.9	V242 K245 F286 D287 Q292 V293 M294	V242-D290 HydrophobicContact CG1-CB 4.24Å; V242-D290 HydrophobicContact CG2-CB 4.12Å; K245-D290 WeakPolarHBondContact CE-OD2 3.26Å; K245-D290 IonicContact NZ-OD1 3.14Å; K245-D290 PolarHBondContact NZ-OD1 2.93Å; K245-D290 VanDerWaalsContact NZ-OD1 3.07Å; K245-D290 IonicContact NZ-OD2 2.88Å; K245-D290 PolarHBondContact NZ-OD2 3.36Å; F286-D290 HydrophobicContact CB-CB 4.24Å; F286-D290 HydrophobicContact CD1-CB 3.89Å; D287-D290 PolarHBondContact N-OD2 3.48Å; D287-D290 PolarHBondContact O-N 2.97Å; D287-D290 VanDerWaalsContact OD1-CG 3.3Å; D287-D290 PolarHBondContact OD1-N 2.88Å; D287-D290 VanDerWaalsContact OD1-N 3.08Å; D290-Q292 VanDerWaalsContact C-N 3.35Å; D290-Q292 PolarHBondContact O-N 3.4Å; D290-V293 PolarHBondContact O-N 2.98Å; D290-M294 WeakPolarHBondContact O-CG 3.29Å; D290-M294 PolarHBondContact O-N 3.09Å
291	G	98.4	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-44.3	174.5	0	0	0	0	0	112.7	Y39 D287 E288 I289 M294 E295	Y39-G291 WeakPolarHBondContact CB-O 3.2Å; D287-G291 PolarHBondContact O-N 3.23Å; E288-G291 PolarHBondContact O-N 3.25Å; I289-G291 VanDerWaalsContact C-N 3.3Å; I289-G291 PolarHBondContact O-N 2.9Å; G291-M294 PolarHBondContact O-N 3.35Å; G291-E295 WeakPolarHBondContact O-CB 3.37Å; G291-E295 PolarHBondContact O-N 3.38Å
292	Q	98.4	Very high	98.2	Very high	50 Å²	50	23.7 Å²	23.7	23%	0.234	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-40.7	176.6	-69.7	169.9	9.4	0	0	112.6	Y39 E288 I289 D290 E295 Y296 Y376	Y39-Q292 HydrophobicContact CD1-CG 4.27Å; Y39-Q292 HydrophobicContact CE1-CG 3.59Å; Y39-Q292 HydrophobicContact CE2-CG 4.29Å; Y39-Q292 PolarHBondContact OH-NE2 3.38Å; E288-Q292 WeakPolarHBondContact O-CG 3.3Å; E288-Q292 PolarHBondContact O-N 3.13Å; I289-Q292 PolarHBondContact O-N 2.91Å; D290-Q292 VanDerWaalsContact C-N 3.35Å; D290-Q292 PolarHBondContact O-N 3.4Å; Q292-E295 PolarHBondContact O-N 2.74Å; Q292-Y296 PolarHBondContact O-N 3.21Å; Q292-Y376 WeakPolarHBondContact CB-OH 3.36Å
293	V	98.7	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-44.4	175.6	172.9	0	0	0	0	110.6	F233 E238 M239 V242 I289 D290 Y296 A297 Y376	F233-V293 HydrophobicContact CE1-CG1 4.08Å; F233-V293 HydrophobicContact CZ-CG1 4.1Å; E238-V293 HydrophobicContact CB-CG1 4.04Å; E238-V293 HydrophobicContact CB-CG2 4.19Å; M239-V293 HydrophobicContact CE-CG1 3.79Å; M239-V293 HydrophobicContact SD-CG1 4.47Å; V242-V293 HydrophobicContact CG2-CB 4.08Å; V242-V293 HydrophobicContact CG2-CG1 3.9Å; V242-V293 HydrophobicContact CG2-CG2 4.42Å; I289-V293 WeakPolarHBondContact O-CG2 3.03Å; I289-V293 PolarHBondContact O-N 2.93Å; D290-V293 PolarHBondContact O-N 2.98Å; V293-Y296 PolarHBondContact O-N 2.89Å; V293-A297 PolarHBondContact O-N 3.37Å; V293-Y376 HydrophobicContact CG2-CE1 4.16Å; V293-Y376 WeakPolarHBondContact CG2-OH 3.49Å
294	M	98.7	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-42.5	176.7	-71	-56.9	-65.7	0	0	112.2	M239 Y259 V262 E263 F266 F286 D290 G291 Y296 A297 L298	M239-M294 HydrophobicContact CE-SD 3.66Å; M239-M294 HydrophobicContact SD-SD 3.88Å; Y259-M294 HydrophobicContact CE2-CE 4.37Å; V262-M294 HydrophobicContact CG1-CE 4.04Å; V262-M294 HydrophobicContact CG1-SD 3.55Å; V262-M294 VanDerWaalsContact CG1-SD 3.55Å; E263-M294 HydrophobicContact CB-CE 4.5Å; F266-M294 HydrophobicContact CB-CE 3.84Å; F266-M294 HydrophobicContact CD1-CE 4.23Å; F266-M294 HydrophobicContact CD2-CB 3.87Å; F266-M294 HydrophobicContact CD2-CE 4.43Å; F266-M294 HydrophobicContact CD2-CG 3.8Å; F266-M294 HydrophobicContact CE1-CB 4.29Å; F266-M294 HydrophobicContact CE2-CB 3.6Å; F266-M294 HydrophobicContact CE2-CG 4.02Å; F266-M294 HydrophobicContact CG-CB 4.31Å; F266-M294 HydrophobicContact CG-CE 3.93Å; F266-M294 HydrophobicContact CG-CG 4.26Å; F266-M294 HydrophobicContact CZ-CB 3.82Å; F286-M294 HydrophobicContact CE1-CG 4.2Å; D290-M294 WeakPolarHBondContact O-CG 3.29Å; D290-M294 PolarHBondContact O-N 3.09Å; G291-M294 PolarHBondContact O-N 3.35Å; M294-Y296 VanDerWaalsContact C-N 3.32Å; M294-Y296 PolarHBondContact O-N 3.39Å; M294-A297 PolarHBondContact O-N 3.15Å; M294-L298 VanDerWaalsContact O-CG 3.28Å; M294-L298 WeakPolarHBondContact O-CG 3.3Å; M294-L298 PolarHBondContact O-N 3Å
295	E	98.6	Very high	98.3	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-57.4	-47.3	174.7	-170.9	-172.8	-122.5	0	0	110.6	Y39 G291 Q292 A297 L298 D299 R382 R385 S387	Y39-E295 HydrophobicContact CD1-CB 4.1Å; Y39-E295 HydrophobicContact CD1-CG 4.37Å; G291-E295 WeakPolarHBondContact O-CB 3.37Å; G291-E295 PolarHBondContact O-N 3.38Å; Q292-E295 PolarHBondContact O-N 2.74Å; E295-A297 PolarHBondContact O-N 3.48Å; E295-L298 PolarHBondContact O-N 3.45Å; E295-D299 WeakPolarHBondContact O-CB 3.32Å; E295-D299 VanDerWaalsContact O-CG 3.31Å; E295-D299 PolarHBondContact O-N 3.14Å; E295-R382 VanDerWaalsContact CD-NH2 3.32Å; E295-R382 IonicContact OE2-CZ 2.61Å; E295-R382 IonicContact OE2-NH2 3.15Å; E295-R382 PolarHBondContact OE2-NH2 2.85Å; E295-R385 IonicContact OE2-NH1 2.71Å; E295-S387 WeakPolarHBondContact OE1-CB 3.38Å; E295-S387 PolarHBondContact OE1-OG 2.78Å
296	Y	98.7	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-42	-179.7	-167.8	-106.8	0	0	0	112.9	F233 Q292 V293 M294 L298 D299 L300 L371 T372 N375 Y376 Q379	F233-Y296 HydrophobicContact CD1-CD1 4.17Å; F233-Y296 HydrophobicContact CD2-CD1 4.01Å; F233-Y296 HydrophobicContact CD2-CE1 4.09Å; F233-Y296 AromaticContact CE1-CD1 3.81Å; F233-Y296 HydrophobicContact CE1-CD1 3.81Å; F233-Y296 AromaticContact CE2-CD1 3.64Å; F233-Y296 HydrophobicContact CE2-CD1 3.64Å; F233-Y296 AromaticContact CE2-CE1 4Å; F233-Y296 HydrophobicContact CE2-CE1 4Å; F233-Y296 HydrophobicContact CG-CD1 4.27Å; F233-Y296 AromaticContact CZ-CD1 3.52Å; F233-Y296 HydrophobicContact CZ-CD1 3.52Å; F233-Y296 HydrophobicContact CZ-CE1 4.34Å; F233-Y296 HydrophobicContact CZ-CG 4.38Å; Q292-Y296 PolarHBondContact O-N 3.21Å; V293-Y296 PolarHBondContact O-N 2.89Å; M294-Y296 VanDerWaalsContact C-N 3.32Å; M294-Y296 PolarHBondContact O-N 3.39Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.42Å; Y296-D299 PolarHBondContact O-N 2.88Å; Y296-L300 HydrophobicContact CD1-CD1 3.83Å; Y296-L300 HydrophobicContact CD1-CG 4.21Å; Y296-L300 HydrophobicContact CE1-CD1 3.52Å; Y296-L300 HydrophobicContact CE1-CD2 4.36Å; Y296-L300 HydrophobicContact CE1-CG 3.87Å; Y296-L300 PolarHBondContact O-N 3.49Å; Y296-L371 HydrophobicContact CE2-CG 4.41Å; Y296-T372 WeakPolarHBondContact CE1-O 3.45Å; Y296-T372 PolarHBondContact OH-N 3.33Å; Y296-T372 PolarHBondContact OH-O 2.94Å; Y296-N375 PolarHBondContact OH-OD1 3.17Å; Y296-Y376 AromaticContact CD1-CD2 3.64Å; Y296-Y376 HydrophobicContact CD1-CD2 3.64Å; Y296-Y376 HydrophobicContact CD1-CG 4.18Å; Y296-Y376 AromaticContact CD2-CD2 3.95Å; Y296-Y376 HydrophobicContact CD2-CD2 3.95Å; Y296-Y376 HydrophobicContact CE1-CD2 4.3Å; Y296-Y376 AromaticContact CG-CD2 3.44Å; Y296-Y376 HydrophobicContact CG-CD2 3.44Å; Y296-Y376 VanDerWaalsContact CG-CD2 3.44Å; Y296-Y376 HydrophobicContact CG-CE2 4.16Å; Y296-Y376 HydrophobicContact CG-CG 4.39Å; Y296-Q379 HydrophobicContact CE2-CB 3.73Å; Y296-Q379 HydrophobicContact CE2-CG 4.44Å
297	A	98.6	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-41.3	174.7	0	0	0	0	0	111.9	F233 M239 Y259 V293 M294 E295 K301	F233-A297 HydrophobicContact CD1-CB 3.78Å; F233-A297 HydrophobicContact CE1-CB 3.88Å; M239-A297 HydrophobicContact CE-CB 3.79Å; Y259-A297 HydrophobicContact CE2-CB 4.42Å; V293-A297 PolarHBondContact O-N 3.37Å; M294-A297 PolarHBondContact O-N 3.15Å; E295-A297 PolarHBondContact O-N 3.48Å; A297-K301 PolarHBondContact O-N 2.84Å; A297-K301 VanDerWaalsContact O-N 3.15Å
298	L	98.3	Very high	98.2	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-71.4	-34.9	177.5	-67.3	176.6	0	0	0	112.2	F266 Y267 M294 E295 Y296 K301 Q302	F266-L298 HydrophobicContact CD1-CD1 4.27Å; F266-L298 HydrophobicContact CE1-CD1 3.77Å; Y267-L298 HydrophobicContact CE1-CD1 4.28Å; Y267-L298 HydrophobicContact CE1-CD2 4.46Å; Y267-L298 WeakPolarHBondContact OH-CD2 3.48Å; M294-L298 VanDerWaalsContact O-CG 3.28Å; M294-L298 WeakPolarHBondContact O-CG 3.3Å; M294-L298 PolarHBondContact O-N 3Å; E295-L298 PolarHBondContact O-N 3.45Å; Y296-L298 VanDerWaalsContact C-N 3.31Å; Y296-L298 PolarHBondContact O-N 3.42Å; L298-K301 WeakPolarHBondContact O-CB 3.44Å; L298-K301 PolarHBondContact O-N 2.83Å; L298-Q302 WeakPolarHBondContact O-CG 3.36Å; L298-Q302 PolarHBondContact O-N 3.46Å; L298-Q302 VanDerWaalsContact O-N 3.09Å
299	D	98.6	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.7	-43.3	174.9	-75.1	-16.2	0	0	0	111.3	E295 Y296 K301 Q302 F303 L371 R382 F384 R385 T386	E295-D299 WeakPolarHBondContact O-CB 3.32Å; E295-D299 VanDerWaalsContact O-CG 3.31Å; E295-D299 PolarHBondContact O-N 3.14Å; Y296-D299 PolarHBondContact O-N 2.88Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 3.4Å; D299-Q302 PolarHBondContact O-N 2.86Å; D299-Q302 VanDerWaalsContact O-N 3.09Å; D299-F303 WeakPolarHBondContact O-CB 3.47Å; D299-F303 PolarHBondContact O-N 3.22Å; D299-L371 HydrophobicContact CB-CD2 4.46Å; D299-R382 IonicContact OD2-CZ 3.12Å; D299-R382 VanDerWaalsContact OD2-CZ 3.23Å; D299-R382 IonicContact OD2-NE 3.07Å; D299-R382 PolarHBondContact OD2-NE 3.15Å; D299-R382 IonicContact OD2-NH2 2.7Å; D299-R382 PolarHBondContact OD2-NH2 3.02Å; D299-F384 HydrophobicContact CB-CD1 4.43Å; D299-R385 WeakPolarHBondContact OD2-CA 3.34Å; D299-T386 VanDerWaalsContact OD1-CB 3.29Å; D299-T386 WeakPolarHBondContact OD1-CB 3.46Å; D299-T386 WeakPolarHBondContact OD1-CG2 3.21Å; D299-T386 PolarHBondContact OD1-N 3.47Å; D299-T386 PolarHBondContact OD1-OG1 2.89Å
300	L	98.6	Very high	98.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.4	-46.8	171.4	-80.9	173.3	0	0	0	111.3	E229 M230 F233 Y296 Q302 F303 W304 L371	E229-L300 HydrophobicContact CB-CD2 4.39Å; M230-L300 HydrophobicContact CB-CB 4.43Å; F233-L300 HydrophobicContact CB-CD1 3.53Å; F233-L300 HydrophobicContact CD1-CD1 4.07Å; F233-L300 HydrophobicContact CD2-CD1 4.29Å; F233-L300 HydrophobicContact CG-CD1 3.69Å; Y296-L300 HydrophobicContact CD1-CD1 3.83Å; Y296-L300 HydrophobicContact CD1-CG 4.21Å; Y296-L300 HydrophobicContact CE1-CD1 3.52Å; Y296-L300 HydrophobicContact CE1-CD2 4.36Å; Y296-L300 HydrophobicContact CE1-CG 3.87Å; Y296-L300 PolarHBondContact O-N 3.49Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 3.33Å; L300-F303 PolarHBondContact O-N 3.46Å; L300-W304 WeakPolarHBondContact O-CB 3.21Å; L300-W304 VanDerWaalsContact O-CD1 3.26Å; L300-W304 PolarHBondContact O-N 3.42Å; L300-L371 HydrophobicContact CD2-CB 3.96Å
301	K	98.1	Very high	98.1	Very high	48 Å²	48	22.3 Å²	22.3	21%	0.209	10%	0.104	C	C	.	.	H	α-helix	trans	-55	-47.5	175.7	-173.8	179	-170.1	166.2	0	111.8	M230 E263 A297 L298 D299 K305	M230-K301 HydrophobicContact CE-CB 4.18Å; M230-K301 HydrophobicContact CE-CD 3.81Å; M230-K301 HydrophobicContact CE-CG 4.21Å; M230-K301 HydrophobicContact CG-CB 4.27Å; M230-K301 HydrophobicContact SD-CB 3.49Å; M230-K301 WeakPolarHBondContact SD-CB 3.37Å; M230-K301 HydrophobicContact SD-CD 3.82Å; M230-K301 HydrophobicContact SD-CG 3.54Å; M230-K301 VanDerWaalsContact SD-CG 3.54Å; E263-K301 IonicContact OE1-NZ 3.89Å; E263-K301 PolarHBondContact OE1-NZ 3.27Å; E263-K301 VanDerWaalsContact OE1-NZ 3.1Å; A297-K301 PolarHBondContact O-N 2.84Å; A297-K301 VanDerWaalsContact O-N 3.15Å; L298-K301 WeakPolarHBondContact O-CB 3.44Å; L298-K301 PolarHBondContact O-N 2.83Å; D299-K301 VanDerWaalsContact C-N 3.28Å; D299-K301 PolarHBondContact O-N 3.4Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.45Å
302	Q	98.4	Very high	98.1	Very high	20 Å²	20	22.9 Å²	22.9	9%	0.093	11%	0.107	C	C	.	.	H	α-helix	trans	-75.2	-37.7	-177.9	-64.6	-54.4	-53	0	0	112.5	T42 L298 D299 L300 R306 G307 L356 F384 T386	T42-Q302 HydrophobicContact CG2-CG 4.32Å; L298-Q302 WeakPolarHBondContact O-CG 3.36Å; L298-Q302 PolarHBondContact O-N 3.46Å; L298-Q302 VanDerWaalsContact O-N 3.09Å; D299-Q302 PolarHBondContact O-N 2.86Å; D299-Q302 VanDerWaalsContact O-N 3.09Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 3.33Å; Q302-R306 CarbonylContact O-C 3.37Å; Q302-R306 WeakPolarHBondContact O-CA 3.36Å; Q302-R306 PolarHBondContact O-N 3.35Å; Q302-G307 PolarHBondContact O-N 2.65Å; Q302-L356 HydrophobicContact CB-CD2 3.89Å; Q302-F384 HydrophobicContact CB-CE1 4.26Å; Q302-F384 HydrophobicContact CB-CZ 4.41Å; Q302-T386 HydrophobicContact CB-CG2 3.58Å; Q302-T386 HydrophobicContact CG-CG2 3.79Å
303	F	98.6	Very high	98.1	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-53.2	176.9	-175.6	-84.3	0	0	0	110.5	D299 L300 G307 Y308 G309 T370 L371 F384	D299-F303 WeakPolarHBondContact O-CB 3.47Å; D299-F303 PolarHBondContact O-N 3.22Å; L300-F303 PolarHBondContact O-N 3.46Å; F303-G307 CarbonylContact O-C 3.55Å; F303-G307 WeakPolarHBondContact O-CA 3.38Å; F303-G307 PolarHBondContact O-N 3.31Å; F303-G307 VanDerWaalsContact O-N 3.16Å; F303-Y308 HydrophobicContact CE2-CD2 4.11Å; F303-Y308 HydrophobicContact CE2-CG 4.33Å; F303-Y308 PolarHBondContact O-N 3.19Å; F303-G309 PolarHBondContact O-N 3.36Å; F303-T370 HydrophobicContact CE1-CG2 3.7Å; F303-T370 HydrophobicContact CZ-CG2 3.84Å; F303-L371 HydrophobicContact CB-CD2 4.26Å; F303-L371 HydrophobicContact CD1-CB 4.21Å; F303-L371 HydrophobicContact CD2-CB 4Å; F303-L371 HydrophobicContact CD2-CD1 4.09Å; F303-L371 HydrophobicContact CD2-CD2 3.82Å; F303-L371 HydrophobicContact CD2-CG 4.19Å; F303-L371 HydrophobicContact CE1-CB 4.38Å; F303-L371 HydrophobicContact CE2-CB 4.14Å; F303-L371 HydrophobicContact CE2-CD1 3.87Å; F303-L371 HydrophobicContact CE2-CD2 4.44Å; F303-L371 HydrophobicContact CE2-CG 4.37Å; F303-L371 HydrophobicContact CG-CB 4.02Å; F303-L371 HydrophobicContact CG-CD2 4.19Å; F303-L371 HydrophobicContact CZ-CB 4.35Å; F303-F384 HydrophobicContact CB-CD1 4.08Å; F303-F384 HydrophobicContact CB-CE1 3.65Å; F303-F384 HydrophobicContact CB-CZ 4.04Å; F303-F384 HydrophobicContact CD2-CB 4.47Å; F303-F384 AromaticContact CD2-CD1 3.94Å; F303-F384 HydrophobicContact CD2-CD1 3.94Å; F303-F384 HydrophobicContact CD2-CD2 4.09Å; F303-F384 HydrophobicContact CD2-CE1 4.16Å; F303-F384 HydrophobicContact CD2-CE2 4.28Å; F303-F384 AromaticContact CD2-CG 3.9Å; F303-F384 HydrophobicContact CD2-CG 3.9Å; F303-F384 HydrophobicContact CD2-CZ 4.32Å; F303-F384 HydrophobicContact CG-CE1 4.42Å
304	W	98.4	Very high	98	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.133	10%	0.1	C	C	.	.	H	α-helix	trans	-76.5	-30.7	-177.8	-71	99.6	0	0	0	113.5	L227 E229 L300 G309 Y310 N313 T370 L371	L227-W304 HydrophobicContact CD2-CB 4.03Å; E229-W304 HydrophobicContact CB-CD2 4.49Å; E229-W304 HydrophobicContact CB-CG 4.46Å; E229-W304 HydrophobicContact CB-CZ2 4.43Å; E229-W304 HydrophobicContact CG-CD2 4.39Å; E229-W304 HydrophobicContact CG-CH2 4.48Å; E229-W304 HydrophobicContact CG-CZ2 3.69Å; L300-W304 WeakPolarHBondContact O-CB 3.21Å; L300-W304 VanDerWaalsContact O-CD1 3.26Å; L300-W304 PolarHBondContact O-N 3.42Å; W304-G309 WeakPolarHBondContact CZ3-O 3.42Å; W304-Y310 HydrophobicContact CE3-CE1 4.3Å; W304-Y310 AromaticContact CE3-CE2 3.84Å; W304-Y310 HydrophobicContact CE3-CE2 3.84Å; W304-Y310 AromaticContact CE3-CZ 3.7Å; W304-Y310 HydrophobicContact CZ3-CE1 4.18Å; W304-Y310 VanDerWaalsContact O-CD2 3.23Å; W304-Y310 WeakPolarHBondContact O-CD2 3.14Å; W304-Y310 WeakPolarHBondContact O-CE2 3.49Å; W304-N313 PolarHBondContact O-ND2 2.83Å; W304-T370 HydrophobicContact CH2-CG2 4.07Å; W304-T370 HydrophobicContact CZ2-CG2 3.75Å; W304-L371 WeakPolarHBondContact CZ2-O 3.18Å; W304-L371 PolarHBondContact NE1-O 2.84Å
305	K	97.3	Very high	98	Very high	48 Å²	48	24.2 Å²	24.2	21%	0.209	11%	0.114	C	C	.	.	H	α-helix	trans	-86.2	-32	-178.8	-164.2	163.7	173.3	123.3	0	114.9	F216 D221 L227 K301	F216-K305 VanDerWaalsContact CE2-O 3.25Å; F216-K305 WeakPolarHBondContact CE2-O 3.35Å; F216-K305 WeakPolarHBondContact CZ-O 3.38Å; D221-K305 WeakPolarHBondContact OD1-CE 3.46Å; D221-K305 IonicContact OD1-NZ 2.71Å; D221-K305 PolarHBondContact OD1-NZ 2.93Å; L227-K305 HydrophobicContact CD1-CD 4.35Å; L227-K305 HydrophobicContact CD2-CB 3.77Å; L227-K305 HydrophobicContact CD2-CG 4.38Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.45Å
306	R	96.6	Very high	97.9	Very high	14 Å²	14	24 Å²	24	5%	0.053	11%	0.113	C	C	.	.	H	α-helix	trans	-144.6	-13.3	-165.4	-59.9	-65.1	170.5	166.3	-6.7	114.5	F210 D221 Q302 N313 E353 L356	F210-R306 VanDerWaalsContact CD2-NH1 3.33Å; F210-R306 VanDerWaalsContact CG-NH1 3.34Å; D221-R306 IonicContact OD1-NH2 3.89Å; D221-R306 PolarHBondContact OD1-NH2 3.05Å; D221-R306 VanDerWaalsContact OD1-NH2 3.14Å; D221-R306 IonicContact OD2-NH2 3.8Å; Q302-R306 CarbonylContact O-C 3.37Å; Q302-R306 WeakPolarHBondContact O-CA 3.36Å; Q302-R306 PolarHBondContact O-N 3.35Å; R306-N313 PolarHBondContact N-ND2 2.88Å; R306-E353 HydrophobicContact CG-CG 4.45Å; R306-L356 HydrophobicContact CB-CD2 3.72Å; R306-L356 HydrophobicContact CB-CG 4.3Å
307	G	97.6	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-109.4	-138.4	179	0	0	0	0	0	112.2	Q302 F303 G309 N313	Q302-G307 PolarHBondContact O-N 2.65Å; F303-G307 CarbonylContact O-C 3.55Å; F303-G307 WeakPolarHBondContact O-CA 3.38Å; F303-G307 PolarHBondContact O-N 3.31Å; F303-G307 VanDerWaalsContact O-N 3.16Å; G307-G309 VanDerWaalsContact C-N 3.25Å; G307-G309 PolarHBondContact O-N 3.18Å; G307-G309 VanDerWaalsContact O-N 3.11Å; G307-N313 WeakPolarHBondContact O-CB 3.43Å; G307-N313 PolarHBondContact O-ND2 3.3Å; G307-N313 VanDerWaalsContact O-ND2 3.11Å
308	Y	98.4	Very high	97.9	Very high	43 Å²	43	24 Å²	24	17%	0.169	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.2	-169.8	-65.3	-68	0	0	0	117.1	F303 Y310 T360 G363 F364 K366 F384	F303-Y308 HydrophobicContact CE2-CD2 4.11Å; F303-Y308 HydrophobicContact CE2-CG 4.33Å; F303-Y308 PolarHBondContact O-N 3.19Å; Y308-Y310 PolarHBondContact O-N 3.48Å; Y308-T360 HydrophobicContact CD2-CG2 3.93Å; Y308-T360 HydrophobicContact CE1-CG2 4.21Å; Y308-T360 VanDerWaalsContact CE1-O 3.26Å; Y308-T360 WeakPolarHBondContact CE1-O 3.43Å; Y308-T360 HydrophobicContact CE2-CG2 3.57Å; Y308-T360 HydrophobicContact CG-CG2 4.37Å; Y308-T360 WeakPolarHBondContact OH-CA 3.32Å; Y308-T360 PolarHBondContact OH-O 2.98Å; Y308-G363 VanDerWaalsContact OH-CA 3.23Å; Y308-G363 WeakPolarHBondContact OH-CA 3.29Å; Y308-G363 PolarHBondContact OH-O 3.01Å; Y308-F364 PolarHBondContact OH-N 3.2Å; Y308-F364 PolarHBondContact OH-O 3.07Å; Y308-K366 HydrophobicContact CD1-CD 4.35Å; Y308-K366 HydrophobicContact CD1-CG 4.28Å; Y308-K366 HydrophobicContact CD2-CG 4.41Å; Y308-K366 HydrophobicContact CE1-CB 4.15Å; Y308-K366 HydrophobicContact CE1-CD 3.97Å; Y308-K366 HydrophobicContact CE1-CG 3.97Å; Y308-K366 HydrophobicContact CE2-CB 3.87Å; Y308-K366 HydrophobicContact CE2-CG 4.11Å; Y308-K366 HydrophobicContact CG-CG 4.49Å; Y308-F384 AromaticContact CD2-CD2 3.89Å; Y308-F384 HydrophobicContact CD2-CD2 3.89Å; Y308-F384 HydrophobicContact CD2-CE2 4.14Å; Y308-F384 HydrophobicContact CE2-CD2 4.07Å; Y308-F384 HydrophobicContact CE2-CE2 4.44Å
309	G	97.7	Very high	97.9	Very high	14 Å²	14	25.9 Å²	25.9	14%	0.144	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-33.1	-175.5	0	0	0	0	0	114.8	F303 W304 G307	F303-G309 PolarHBondContact O-N 3.36Å; W304-G309 WeakPolarHBondContact CZ3-O 3.42Å; G307-G309 VanDerWaalsContact C-N 3.25Å; G307-G309 PolarHBondContact O-N 3.18Å; G307-G309 VanDerWaalsContact O-N 3.11Å
310	Y	98	Very high	97.9	Very high	74 Å²	74	25.9 Å²	25.9	29%	0.29	12%	0.122	S	C	.	.	S	Bend	trans	-137.9	144	176.6	-57.2	-70.8	0	0	0	110.7	V220 A226 W304 Y308 I312 N313	V220-Y310 HydrophobicContact CG1-CD2 4.22Å; V220-Y310 HydrophobicContact CG2-CD2 3.75Å; V220-Y310 HydrophobicContact CG2-CE2 4.44Å; V220-Y310 HydrophobicContact CG2-CG 4.17Å; A226-Y310 VanDerWaalsContact CA-OH 3.31Å; A226-Y310 WeakPolarHBondContact CA-OH 3.39Å; A226-Y310 HydrophobicContact CB-CE2 3.81Å; A226-Y310 WeakPolarHBondContact O-CE2 3.27Å; A226-Y310 PolarHBondContact O-OH 2.89Å; W304-Y310 HydrophobicContact CE3-CE1 4.3Å; W304-Y310 AromaticContact CE3-CE2 3.84Å; W304-Y310 HydrophobicContact CE3-CE2 3.84Å; W304-Y310 AromaticContact CE3-CZ 3.7Å; W304-Y310 HydrophobicContact CZ3-CE1 4.18Å; W304-Y310 VanDerWaalsContact O-CD2 3.23Å; W304-Y310 WeakPolarHBondContact O-CD2 3.14Å; W304-Y310 WeakPolarHBondContact O-CE2 3.49Å; Y308-Y310 PolarHBondContact O-N 3.48Å; Y310-I312 VanDerWaalsContact C-N 3.25Å; Y310-I312 PolarHBondContact O-N 3.25Å; Y310-N313 PolarHBondContact N-ND2 3.25Å; Y310-N313 WeakPolarHBondContact O-CB 3.48Å; Y310-N313 PolarHBondContact O-N 3.34Å
311	D	96.1	Very high	97.9	Very high	104 Å²	104	26 Å²	26	56%	0.556	12%	0.122	S	C	*	.	H	α-helix	trans	-55.5	-39.6	179.6	-176	59.2	0	0	0	112.6	N313 S314 K315	D311-N313 PolarHBondContact O-N 3.43Å; D311-S314 PolarHBondContact O-OG 3.26Å; D311-K315 VanDerWaalsContact CG-CE 3.49Å; D311-K315 VanDerWaalsContact CG-NZ 3.27Å; D311-K315 WeakPolarHBondContact O-CB 3.22Å; D311-K315 WeakPolarHBondContact O-CG 3.48Å; D311-K315 PolarHBondContact O-N 3.23Å; D311-K315 VanDerWaalsContact O-N 3.13Å; D311-K315 WeakPolarHBondContact OD1-CE 3.33Å; D311-K315 IonicContact OD1-NZ 2.75Å; D311-K315 PolarHBondContact OD1-NZ 3.1Å; D311-K315 VanDerWaalsContact OD1-NZ 3.07Å; D311-K315 VanDerWaalsContact OD2-CD 3.28Å; D311-K315 WeakPolarHBondContact OD2-CD 3.2Å; D311-K315 VanDerWaalsContact OD2-CE 3.25Å; D311-K315 WeakPolarHBondContact OD2-CE 3.34Å; D311-K315 IonicContact OD2-NZ 2.81Å; D311-K315 PolarHBondContact OD2-NZ 3.35Å
312	I	97.8	Very high	97.9	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.067	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-22.5	178.4	-169.5	53	0	0	0	113.5	K215 F216 V220 Y310 S316 V453	K215-I312 HydrophobicContact CB-CD1 4.13Å; K215-I312 HydrophobicContact CB-CG1 4.11Å; K215-I312 HydrophobicContact CD-CB 4.47Å; K215-I312 HydrophobicContact CD-CD1 3.91Å; K215-I312 HydrophobicContact CD-CG1 4.03Å; K215-I312 HydrophobicContact CG-CD1 4.23Å; K215-I312 HydrophobicContact CG-CG1 3.97Å; F216-I312 HydrophobicContact CB-CG1 3.87Å; V220-I312 HydrophobicContact CG2-CG2 3.76Å; Y310-I312 VanDerWaalsContact C-N 3.25Å; Y310-I312 PolarHBondContact O-N 3.25Å; I312-S316 VanDerWaalsContact O-CB 3.3Å; I312-S316 WeakPolarHBondContact O-CB 3.37Å; I312-S316 PolarHBondContact O-N 2.94Å; I312-V453 HydrophobicContact CD1-CG1 3.51Å; I312-V453 WeakPolarHBondContact CD1-O 3.11Å
313	N	97.8	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-55.8	-179.4	-71.4	-5.3	0	0	0	110.7	W304 R306 G307 Y310 D311 S316 P357	W304-N313 PolarHBondContact O-ND2 2.83Å; R306-N313 PolarHBondContact N-ND2 2.88Å; G307-N313 WeakPolarHBondContact O-CB 3.43Å; G307-N313 PolarHBondContact O-ND2 3.3Å; G307-N313 VanDerWaalsContact O-ND2 3.11Å; Y310-N313 PolarHBondContact N-ND2 3.25Å; Y310-N313 WeakPolarHBondContact O-CB 3.48Å; Y310-N313 PolarHBondContact O-N 3.34Å; D311-N313 PolarHBondContact O-N 3.43Å; N313-S316 PolarHBondContact O-OG 3.36Å; N313-P357 WeakPolarHBondContact O-CB 3.39Å
314	S	97.6	Very high	97.9	Very high	14 Å²	14	27.1 Å²	27.1	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-74	-42.4	178.1	59.5	0	0	0	0	111.3	D311 S316 S317 T360	D311-S314 PolarHBondContact O-OG 3.26Å; S314-S316 PolarHBondContact O-N 2.92Å; S314-S316 VanDerWaalsContact O-N 3.15Å; S314-S317 PolarHBondContact O-N 2.85Å; S314-S317 PolarHBondContact O-OG 2.63Å; S314-T360 WeakPolarHBondContact CB-OG1 3.28Å
315	K	97.8	Very high	97.9	Very high	64 Å²	64	25.7 Å²	25.7	28%	0.278	13%	0.125	S	C	.	.	H	α-helix	trans	-64.7	-20.3	179.8	-69.5	-172.8	178.7	164	0	113.7	D311 S317 C318 L361 V453	D311-K315 VanDerWaalsContact CG-CE 3.49Å; D311-K315 VanDerWaalsContact CG-NZ 3.27Å; D311-K315 WeakPolarHBondContact O-CB 3.22Å; D311-K315 WeakPolarHBondContact O-CG 3.48Å; D311-K315 PolarHBondContact O-N 3.23Å; D311-K315 VanDerWaalsContact O-N 3.13Å; D311-K315 WeakPolarHBondContact OD1-CE 3.33Å; D311-K315 IonicContact OD1-NZ 2.75Å; D311-K315 PolarHBondContact OD1-NZ 3.1Å; D311-K315 VanDerWaalsContact OD1-NZ 3.07Å; D311-K315 VanDerWaalsContact OD2-CD 3.28Å; D311-K315 WeakPolarHBondContact OD2-CD 3.2Å; D311-K315 VanDerWaalsContact OD2-CE 3.25Å; D311-K315 WeakPolarHBondContact OD2-CE 3.34Å; D311-K315 IonicContact OD2-NZ 2.81Å; D311-K315 PolarHBondContact OD2-NZ 3.35Å; K315-S317 PolarHBondContact O-N 3.48Å; K315-C318 WeakPolarHBondContact O-CB 3.47Å; K315-C318 PolarHBondContact O-N 2.93Å; K315-C318 PolarHBondContact O-SG 3.21Å; K315-L361 HydrophobicContact CG-CD1 4.23Å; K315-V453 HydrophobicContact CB-CG1 3.6Å; K315-V453 HydrophobicContact CD-CG2 4.47Å
316	S	97.6	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.9	170.4	71.8	0	0	0	0	112.8	F209 I312 N313 S314 Y450	F209-S316 WeakPolarHBondContact CD2-O 3.47Å; F209-S316 WeakPolarHBondContact CE2-OG 3.28Å; F209-S316 WeakPolarHBondContact CG-O 3.31Å; I312-S316 VanDerWaalsContact O-CB 3.3Å; I312-S316 WeakPolarHBondContact O-CB 3.37Å; I312-S316 PolarHBondContact O-N 2.94Å; N313-S316 PolarHBondContact O-OG 3.36Å; S314-S316 PolarHBondContact O-N 2.92Å; S314-S316 VanDerWaalsContact O-N 3.15Å; S316-Y450 WeakPolarHBondContact O-CD2 3.31Å; S316-Y450 WeakPolarHBondContact O-CE2 3.45Å
317	S	98.4	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	9.6	175.3	67.1	0	0	0	0	115.4	S314 K315 I319 L320 F321 L358 L361	S314-S317 PolarHBondContact O-N 2.85Å; S314-S317 PolarHBondContact O-OG 2.63Å; K315-S317 PolarHBondContact O-N 3.48Å; S317-I319 PolarHBondContact O-N 3.35Å; S317-L320 PolarHBondContact O-N 2.8Å; S317-F321 PolarHBondContact O-N 2.91Å; S317-L358 WeakPolarHBondContact OG-CA 3.49Å; S317-L358 PolarHBondContact OG-N 3.4Å; S317-L361 WeakPolarHBondContact OG-CD2 3.27Å
318	C	98.4	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-47.7	-44.8	177.6	-76.7	0	0	0	0	112.5	K315 L320 F321 H322 C448	K315-C318 WeakPolarHBondContact O-CB 3.47Å; K315-C318 PolarHBondContact O-N 2.93Å; K315-C318 PolarHBondContact O-SG 3.21Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 3.26Å; C318-F321 WeakPolarHBondContact O-CB 3.46Å; C318-F321 PolarHBondContact O-N 3.2Å; C318-H322 PolarHBondContact O-CD2 3.31Å; C318-H322 PolarHBondContact O-N 2.81Å; C318-C448 HydrophobicContact CB-CB 3.95Å; C318-C448 WeakPolarHBondContact CB-O 3.17Å; C318-C448 WeakPolarHBondContact CB-SG 3.22Å; C318-C448 VanDerWaalsContact SG-C 3.51Å; C318-C448 VanDerWaalsContact SG-CA 3.55Å; C318-C448 WeakPolarHBondContact SG-CB 3.3Å; C318-C448 PolarHBondContact SG-O 3.09Å; C318-C448 CovalentContact SG-SG 2.03Å; C318-C448 PolarHBondContact SG-SG 3.07Å
319	I	98.3	Very high	98.1	Very high	47 Å²	47	28.8 Å²	28.8	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-40.6	179.2	-173.5	170.3	0	0	0	112.6	L206 F209 S317 D323 Y450	L206-I319 HydrophobicContact CD1-CG1 4.35Å; F209-I319 HydrophobicContact CB-CG2 3.52Å; F209-I319 HydrophobicContact CD1-CG2 4.2Å; F209-I319 HydrophobicContact CG-CG2 4.09Å; S317-I319 PolarHBondContact O-N 3.35Å; I319-D323 WeakPolarHBondContact O-CB 3.48Å; I319-D323 PolarHBondContact O-N 3.41Å; I319-Y450 HydrophobicContact CB-CD1 4.27Å; I319-Y450 HydrophobicContact CB-CD2 4.06Å; I319-Y450 HydrophobicContact CB-CG 3.8Å; I319-Y450 HydrophobicContact CD1-CD1 4.38Å; I319-Y450 HydrophobicContact CG2-CD1 4.47Å; I319-Y450 HydrophobicContact CG2-CD2 3.81Å; I319-Y450 HydrophobicContact CG2-CE2 4.09Å; I319-Y450 HydrophobicContact CG2-CG 4.03Å
320	L	98.6	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-73.3	-37.9	177.5	-179.4	60.3	0	0	0	111.5	I80 L206 F209 S317 C318 D323 V324 T354 L358	I80-L320 HydrophobicContact CG2-CD2 4.32Å; L206-L320 HydrophobicContact CD1-CB 4.14Å; L206-L320 HydrophobicContact CD1-CD1 3.73Å; L206-L320 HydrophobicContact CG-CD1 4.03Å; F209-L320 HydrophobicContact CD1-CB 4.16Å; F209-L320 HydrophobicContact CE1-CB 4.05Å; F209-L320 HydrophobicContact CE1-CD2 3.92Å; S317-L320 PolarHBondContact O-N 2.8Å; C318-L320 VanDerWaalsContact C-N 3.33Å; C318-L320 PolarHBondContact O-N 3.26Å; L320-D323 PolarHBondContact O-N 3.48Å; L320-V324 HydrophobicContact CD1-CG2 4.48Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.37Å; L320-V324 PolarHBondContact O-N 3.09Å; L320-T354 HydrophobicContact CD2-CG2 3.78Å; L320-L358 HydrophobicContact CD2-CB 4.38Å; L320-L358 HydrophobicContact CD2-CD2 3.85Å; L320-L358 HydrophobicContact CG-CD2 4.06Å
321	F	98.7	Very high	98	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-48	173.4	171.3	-92.3	0	0	0	111.5	S317 C318 V324 F325 L358 L361 L362 Y441 L444 L445	S317-F321 PolarHBondContact O-N 2.91Å; C318-F321 WeakPolarHBondContact O-CB 3.46Å; C318-F321 PolarHBondContact O-N 3.2Å; F321-V324 PolarHBondContact O-N 2.82Å; F321-F325 HydrophobicContact CD2-CD2 4.03Å; F321-F325 AromaticContact CD2-CE2 3.85Å; F321-F325 HydrophobicContact CD2-CE2 3.85Å; F321-F325 HydrophobicContact CE1-CD2 4.31Å; F321-F325 AromaticContact CE2-CD2 3.68Å; F321-F325 HydrophobicContact CE2-CD2 3.68Å; F321-F325 AromaticContact CE2-CE2 3.26Å; F321-F325 HydrophobicContact CE2-CE2 3.26Å; F321-F325 HydrophobicContact CE2-CZ 4.11Å; F321-F325 HydrophobicContact CG-CD2 4.47Å; F321-F325 AromaticContact CZ-CD2 3.81Å; F321-F325 HydrophobicContact CZ-CD2 3.81Å; F321-F325 AromaticContact CZ-CE2 3.69Å; F321-F325 HydrophobicContact CZ-CE2 3.69Å; F321-F325 HydrophobicContact CZ-CZ 4.35Å; F321-F325 WeakPolarHBondContact O-CD2 3.47Å; F321-F325 PolarHBondContact O-N 3.42Å; F321-F325 VanDerWaalsContact O-N 3.11Å; F321-L358 HydrophobicContact CB-CD1 3.99Å; F321-L358 HydrophobicContact CD2-CD1 4.49Å; F321-L361 HydrophobicContact CB-CD2 3.74Å; F321-L361 HydrophobicContact CD2-CD2 4.35Å; F321-L361 HydrophobicContact CG-CD2 4.08Å; F321-L362 HydrophobicContact CD2-CD2 3.91Å; F321-L362 HydrophobicContact CE2-CD2 3.74Å; F321-Y441 HydrophobicContact CE2-CG 4.35Å; F321-Y441 HydrophobicContact CZ-CG 4.46Å; F321-L444 HydrophobicContact CD1-CB 4.31Å; F321-L444 HydrophobicContact CE1-CB 3.57Å; F321-L444 HydrophobicContact CE2-CB 4.47Å; F321-L444 HydrophobicContact CE2-CD1 4.21Å; F321-L444 HydrophobicContact CZ-CB 3.68Å; F321-L444 HydrophobicContact CZ-CD1 4.2Å; F321-L445 HydrophobicContact CE1-CD2 3.66Å; F321-L445 HydrophobicContact CE1-CG 3.97Å; F321-L445 HydrophobicContact CZ-CD2 3.85Å; F321-L445 HydrophobicContact CZ-CG 3.94Å
322	H	98.6	Very high	98.1	Very high	61 Å²	61	25.3 Å²	25.3	28%	0.282	13%	0.129	S	C	.	.	H	α-helix	trans	-66.7	-38.8	177.3	-78.4	-70.8	0	0	0	113.1	C318 V324 F325 S326 L444 L445 C448	C318-H322 PolarHBondContact O-CD2 3.31Å; C318-H322 PolarHBondContact O-N 2.81Å; H322-V324 VanDerWaalsContact C-N 3.34Å; H322-V324 PolarHBondContact O-N 2.96Å; H322-F325 PolarHBondContact O-N 3.22Å; H322-S326 WeakPolarHBondContact O-CB 3.42Å; H322-S326 PolarHBondContact O-N 2.97Å; H322-L444 PolarHBondContact CE1-O 3.01Å; H322-L444 PolarHBondContact NE2-O 3.37Å; H322-L445 PolarHBondContact CE1-O 3.21Å; H322-L445 VanDerWaalsContact CE1-O 3.3Å; H322-C448 PolarHBondContact CD2-O 3.03Å; H322-C448 PolarHBondContact NE2-O 3.38Å
323	D	98.6	Very high	98	Very high	34 Å²	34	29.5 Å²	29.5	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-45.7	174.5	177.6	85.4	0	0	0	111.4	L206 I319 L320 S326 R327 Q348	L206-D323 HydrophobicContact CD1-CB 3.65Å; L206-D323 HydrophobicContact CD2-CB 4.46Å; I319-D323 WeakPolarHBondContact O-CB 3.48Å; I319-D323 PolarHBondContact O-N 3.41Å; L320-D323 PolarHBondContact O-N 3.48Å; D323-S326 PolarHBondContact O-N 2.63Å; D323-R327 VanDerWaalsContact CG-NE 3.34Å; D323-R327 VanDerWaalsContact O-CG 3.31Å; D323-R327 WeakPolarHBondContact O-CG 3.35Å; D323-R327 PolarHBondContact O-N 3.19Å; D323-R327 VanDerWaalsContact O-N 3.09Å; D323-R327 IonicContact OD1-CZ 3.65Å; D323-R327 IonicContact OD1-NE 2.66Å; D323-R327 PolarHBondContact OD1-NE 3.39Å; D323-R327 IonicContact OD1-NH2 2.89Å; D323-R327 PolarHBondContact OD1-NH2 3.34Å; D323-R327 IonicContact OD2-CZ 3.68Å; D323-R327 IonicContact OD2-NE 3.62Å; D323-R327 PolarHBondContact OD2-NE 3.24Å; D323-R327 IonicContact OD2-NH2 2.82Å; D323-Q348 PolarHBondContact OD2-NE2 3.1Å
324	V	98.4	Very high	97.9	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-55.9	176.5	166.6	0	0	0	0	111.1	T78 I80 L320 F321 H322 S326 R327 L328 L398	T78-V324 HydrophobicContact CG2-CG2 4.27Å; I80-V324 HydrophobicContact CD1-CG2 3.9Å; L320-V324 HydrophobicContact CD1-CG2 4.48Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.37Å; L320-V324 PolarHBondContact O-N 3.09Å; F321-V324 PolarHBondContact O-N 2.82Å; H322-V324 VanDerWaalsContact C-N 3.34Å; H322-V324 PolarHBondContact O-N 2.96Å; V324-S326 VanDerWaalsContact C-N 3.32Å; V324-S326 PolarHBondContact O-N 3.48Å; V324-R327 PolarHBondContact O-N 3.36Å; V324-L328 HydrophobicContact CG1-CD1 3.95Å; V324-L328 HydrophobicContact CG1-CG 4.48Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.17Å; V324-L328 PolarHBondContact O-N 3.46Å; V324-L398 HydrophobicContact CG1-CD1 3.35Å
325	F	98.5	Very high	97.8	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-31	-176.9	-84.3	-94.6	0	0	0	113.1	F321 H322 L328 D329 L362 Y434 V437 K438 Y441 L445	F321-F325 HydrophobicContact CD2-CD2 4.03Å; F321-F325 AromaticContact CD2-CE2 3.85Å; F321-F325 HydrophobicContact CD2-CE2 3.85Å; F321-F325 HydrophobicContact CE1-CD2 4.31Å; F321-F325 AromaticContact CE2-CD2 3.68Å; F321-F325 HydrophobicContact CE2-CD2 3.68Å; F321-F325 AromaticContact CE2-CE2 3.26Å; F321-F325 HydrophobicContact CE2-CE2 3.26Å; F321-F325 HydrophobicContact CE2-CZ 4.11Å; F321-F325 HydrophobicContact CG-CD2 4.47Å; F321-F325 AromaticContact CZ-CD2 3.81Å; F321-F325 HydrophobicContact CZ-CD2 3.81Å; F321-F325 AromaticContact CZ-CE2 3.69Å; F321-F325 HydrophobicContact CZ-CE2 3.69Å; F321-F325 HydrophobicContact CZ-CZ 4.35Å; F321-F325 WeakPolarHBondContact O-CD2 3.47Å; F321-F325 PolarHBondContact O-N 3.42Å; F321-F325 VanDerWaalsContact O-N 3.11Å; H322-F325 PolarHBondContact O-N 3.22Å; F325-L328 HydrophobicContact CD1-CD1 4.35Å; F325-L328 HydrophobicContact CG-CD1 4.47Å; F325-L328 PolarHBondContact O-N 3.36Å; F325-D329 WeakPolarHBondContact O-CB 3.34Å; F325-D329 PolarHBondContact O-N 3.43Å; F325-L362 HydrophobicContact CE2-CD2 4.36Å; F325-Y434 HydrophobicContact CD1-CE2 4.11Å; F325-Y434 HydrophobicContact CE1-CE2 4.07Å; F325-V437 HydrophobicContact CE1-CG1 4.13Å; F325-V437 HydrophobicContact CZ-CG1 3.99Å; F325-K438 HydrophobicContact CD1-CG 4.41Å; F325-K438 HydrophobicContact CE1-CG 4.33Å; F325-Y441 AromaticContact CZ-CD2 4Å; F325-Y441 HydrophobicContact CZ-CD2 4Å; F325-L445 HydrophobicContact CB-CD2 3.6Å; F325-L445 HydrophobicContact CD1-CD1 4.26Å; F325-L445 HydrophobicContact CD1-CD2 3.81Å; F325-L445 HydrophobicContact CD2-CD2 4.15Å; F325-L445 HydrophobicContact CE1-CD1 4.43Å; F325-L445 HydrophobicContact CG-CD2 3.59Å
326	S	98.3	Very high	97.6	Very high	78 Å²	78	33.2 Å²	33.2	55%	0.545	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-41.2	173.1	-177.5	0	0	0	0	111.8	H322 D323 V324 K330	H322-S326 WeakPolarHBondContact O-CB 3.42Å; H322-S326 PolarHBondContact O-N 2.97Å; D323-S326 PolarHBondContact O-N 2.63Å; V324-S326 VanDerWaalsContact C-N 3.32Å; V324-S326 PolarHBondContact O-N 3.48Å; S326-K330 VanDerWaalsContact O-CB 3.28Å; S326-K330 WeakPolarHBondContact O-CB 3.23Å; S326-K330 PolarHBondContact O-N 2.9Å
327	R	98	Very high	97.4	Very high	45 Å²	45	37.2 Å²	37.2	17%	0.17	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-43.4	175.3	-69.4	171.1	-167.3	-67.3	-11.9	111.9	D323 V324 K330 A331 E343	D323-R327 VanDerWaalsContact CG-NE 3.34Å; D323-R327 VanDerWaalsContact O-CG 3.31Å; D323-R327 WeakPolarHBondContact O-CG 3.35Å; D323-R327 PolarHBondContact O-N 3.19Å; D323-R327 VanDerWaalsContact O-N 3.09Å; D323-R327 IonicContact OD1-CZ 3.65Å; D323-R327 IonicContact OD1-NE 2.66Å; D323-R327 PolarHBondContact OD1-NE 3.39Å; D323-R327 IonicContact OD1-NH2 2.89Å; D323-R327 PolarHBondContact OD1-NH2 3.34Å; D323-R327 IonicContact OD2-CZ 3.68Å; D323-R327 IonicContact OD2-NE 3.62Å; D323-R327 PolarHBondContact OD2-NE 3.24Å; D323-R327 IonicContact OD2-NH2 2.82Å; V324-R327 PolarHBondContact O-N 3.36Å; R327-K330 PolarHBondContact O-N 2.93Å; R327-A331 WeakPolarHBondContact O-CB 3.22Å; R327-A331 PolarHBondContact O-N 2.86Å; R327-E343 WeakPolarHBondContact CD-OE1 3.49Å; R327-E343 IonicContact CZ-OE1 3.51Å; R327-E343 IonicContact NE-OE1 2.97Å; R327-E343 IonicContact NH1-OE1 2.63Å; R327-E343 PolarHBondContact NH1-OE1 3.48Å; R327-E343 IonicContact NH1-OE2 3.58Å; R327-E343 PolarHBondContact NH1-OE2 3.05Å
328	L	98.2	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-51	175.9	-65	173.2	0	0	0	111	V324 F325 K330 A331 V332 L400 L410 Y434	V324-L328 HydrophobicContact CG1-CD1 3.95Å; V324-L328 HydrophobicContact CG1-CG 4.48Å; V324-L328 VanDerWaalsContact O-CG 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.17Å; V324-L328 PolarHBondContact O-N 3.46Å; F325-L328 HydrophobicContact CD1-CD1 4.35Å; F325-L328 HydrophobicContact CG-CD1 4.47Å; F325-L328 PolarHBondContact O-N 3.36Å; L328-K330 VanDerWaalsContact C-N 3.34Å; L328-K330 PolarHBondContact O-N 2.91Å; L328-A331 PolarHBondContact O-N 3.17Å; L328-V332 WeakPolarHBondContact O-CG2 3.5Å; L328-V332 PolarHBondContact O-N 2.92Å; L328-L400 HydrophobicContact CB-CD1 3.91Å; L328-L400 HydrophobicContact CD2-CD1 3.42Å; L328-L400 VanDerWaalsContact CD2-CD1 3.42Å; L328-L400 HydrophobicContact CD2-CD2 4.37Å; L328-L400 HydrophobicContact CD2-CG 3.59Å; L328-L400 HydrophobicContact CG-CD1 4.27Å; L328-L410 HydrophobicContact CD1-CD1 4.29Å; L328-L410 HydrophobicContact CD1-CD2 4.15Å; L328-L410 HydrophobicContact CD2-CD1 3.95Å; L328-Y434 HydrophobicContact CB-CE1 4.46Å; L328-Y434 HydrophobicContact CB-CE2 4Å; L328-Y434 VanDerWaalsContact CB-OH 3.27Å; L328-Y434 WeakPolarHBondContact CB-OH 3.43Å; L328-Y434 HydrophobicContact CD1-CE2 3.94Å
329	D	97.9	Very high	96.8	Very high	46 Å²	46	46.4 Å²	46.4	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-42.3	177.9	-80.8	-12.1	0	0	0	112.1	F325 V332 N333 Y434 K438	F325-D329 WeakPolarHBondContact O-CB 3.34Å; F325-D329 PolarHBondContact O-N 3.43Å; D329-V332 PolarHBondContact O-N 2.66Å; D329-N333 WeakPolarHBondContact O-CB 3.28Å; D329-N333 PolarHBondContact O-N 2.97Å; D329-N333 PolarHBondContact O-ND2 3.45Å; D329-N333 VanDerWaalsContact O-ND2 3.14Å; D329-Y434 PolarHBondContact N-OH 2.86Å; D329-Y434 VanDerWaalsContact OD1-CE1 3.24Å; D329-Y434 WeakPolarHBondContact OD1-CE1 3.27Å; D329-Y434 VanDerWaalsContact OD1-CZ 3.32Å; D329-Y434 PolarHBondContact OD1-OH 3.26Å; D329-K438 VanDerWaalsContact CG-NZ 3.31Å; D329-K438 IonicContact OD1-NZ 3.52Å; D329-K438 PolarHBondContact OD1-NZ 2.65Å; D329-K438 IonicContact OD2-NZ 3.69Å; D329-K438 PolarHBondContact OD2-NZ 2.98Å; D329-K438 VanDerWaalsContact OD2-NZ 3.14Å
330	K	98.1	Very high	96.4	Very high	105 Å²	105	47.9 Å²	47.9	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-47.1	176.5	-176.8	-179.8	174.5	-173.9	0	111.5	S326 R327 L328 V332 N333 E334	S326-K330 VanDerWaalsContact O-CB 3.28Å; S326-K330 WeakPolarHBondContact O-CB 3.23Å; S326-K330 PolarHBondContact O-N 2.9Å; R327-K330 PolarHBondContact O-N 2.93Å; L328-K330 VanDerWaalsContact C-N 3.34Å; L328-K330 PolarHBondContact O-N 2.91Å; K330-V332 PolarHBondContact O-N 2.64Å; K330-N333 PolarHBondContact O-N 2.75Å; K330-E334 WeakPolarHBondContact CE-OE1 3.49Å; K330-E334 HydrophobicContact CG-CG 4.47Å; K330-E334 IonicContact NZ-OE1 3.94Å; K330-E334 WeakPolarHBondContact O-CG 3.34Å; K330-E334 PolarHBondContact O-N 2.84Å
331	A	97.4	Very high	96.2	Very high	3 Å²	3	49 Å²	49	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-41.7	179	0	0	0	0	0	112.2	H76 R327 L328 H335 V341 L400	H76-A331 HydrophobicContact CB-CB 3.51Å; R327-A331 WeakPolarHBondContact O-CB 3.22Å; R327-A331 PolarHBondContact O-N 2.86Å; L328-A331 PolarHBondContact O-N 3.17Å; A331-H335 VanDerWaalsContact O-CB 3.22Å; A331-H335 WeakPolarHBondContact O-CB 3.48Å; A331-H335 PolarHBondContact O-N 3.13Å; A331-V341 HydrophobicContact CB-CG1 4.03Å; A331-L400 HydrophobicContact CB-CD1 4.37Å
332	V	96.8	Very high	95.8	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-42.7	175.2	172.6	0	0	0	0	111.3	I75 L328 D329 K330 N336 L400 I408 Y434	I75-V332 HydrophobicContact CD1-CG2 4.45Å; L328-V332 WeakPolarHBondContact O-CG2 3.5Å; L328-V332 PolarHBondContact O-N 2.92Å; D329-V332 PolarHBondContact O-N 2.66Å; K330-V332 PolarHBondContact O-N 2.64Å; V332-N336 WeakPolarHBondContact CG1-ND2 3.49Å; V332-N336 VanDerWaalsContact O-CB 3.27Å; V332-N336 WeakPolarHBondContact O-CB 3.47Å; V332-N336 VanDerWaalsContact O-CG 3.29Å; V332-N336 PolarHBondContact O-N 3.12Å; V332-N336 PolarHBondContact O-ND2 3.21Å; V332-L400 HydrophobicContact CG2-CD1 3.86Å; V332-L400 HydrophobicContact CG2-CD2 4.33Å; V332-I408 HydrophobicContact CG1-CG1 4.43Å; V332-I408 HydrophobicContact CG2-CG2 3.83Å; V332-Y434 HydrophobicContact CG2-CD1 3.92Å; V332-Y434 HydrophobicContact CG2-CE1 3.97Å
333	N	96.4	Very high	95.7	Very high	101 Å²	101	51.6 Å²	51.6	54%	0.54	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-44.5	179.3	-71.3	-27.2	0	0	0	112.6	D329 K330 S337	D329-N333 WeakPolarHBondContact O-CB 3.28Å; D329-N333 PolarHBondContact O-N 2.97Å; D329-N333 PolarHBondContact O-ND2 3.45Å; D329-N333 VanDerWaalsContact O-ND2 3.14Å; K330-N333 PolarHBondContact O-N 2.75Å; N333-S337 VanDerWaalsContact O-CB 3.31Å; N333-S337 WeakPolarHBondContact O-CB 3.09Å; N333-S337 PolarHBondContact O-N 3.34Å; N333-S337 VanDerWaalsContact O-N 3.14Å; N333-S337 PolarHBondContact O-OG 3.22Å
334	E	96.2	Very high	95.6	Very high	17 Å²	17	50 Å²	50	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-50.6	174.5	-72.5	177.9	161.9	0	0	110	K330 S337 G338 Q339 V341 N342	K330-E334 WeakPolarHBondContact CE-OE1 3.49Å; K330-E334 HydrophobicContact CG-CG 4.47Å; K330-E334 IonicContact NZ-OE1 3.94Å; K330-E334 WeakPolarHBondContact O-CG 3.34Å; K330-E334 PolarHBondContact O-N 2.84Å; E334-S337 PolarHBondContact O-N 3.42Å; E334-G338 PolarHBondContact O-N 3.37Å; E334-Q339 HydrophobicContact CB-CB 4.39Å; E334-Q339 WeakPolarHBondContact O-CB 3.4Å; E334-Q339 PolarHBondContact O-N 3.1Å; E334-V341 HydrophobicContact CB-CG2 4.4Å; E334-V341 WeakPolarHBondContact OE2-CA 3.43Å; E334-N342 PolarHBondContact OE1-ND2 2.83Å; E334-N342 PolarHBondContact OE2-N 3.29Å
335	H	94.4	Very high	95.6	Very high	54 Å²	54	50 Å²	50	25%	0.25	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-50.6	179.9	-177	72.6	0	0	0	113	I75 A331 S337 G338 V341 D402	I75-H335 HydrophobicContact CD1-CB 4.41Å; A331-H335 VanDerWaalsContact O-CB 3.22Å; A331-H335 WeakPolarHBondContact O-CB 3.48Å; A331-H335 PolarHBondContact O-N 3.13Å; H335-S337 PolarHBondContact O-N 3.11Å; H335-G338 PolarHBondContact O-N 2.82Å; H335-V341 HydrophobicContact CB-CG2 4.19Å; H335-D402 IonicContact CD2-OD2 3.84Å; H335-D402 IonicContact CE1-OD2 3.24Å; H335-D402 PolarHBondContact CE1-OD2 2.7Å; H335-D402 IonicContact NE2-OD2 2.79Å; H335-D402 PolarHBondContact NE2-OD2 2.78Å
336	N	93.9	Very high	95.6	Very high	85 Å²	85	49.7 Å²	49.7	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-23.8	-179.5	-75.9	-21.4	0	0	0	113.4	V332	V332-N336 WeakPolarHBondContact CG1-ND2 3.49Å; V332-N336 VanDerWaalsContact O-CB 3.27Å; V332-N336 WeakPolarHBondContact O-CB 3.47Å; V332-N336 VanDerWaalsContact O-CG 3.29Å; V332-N336 PolarHBondContact O-N 3.12Å; V332-N336 PolarHBondContact O-ND2 3.21Å
337	S	93.9	Very high	95.7	Very high	84 Å²	84	46 Å²	46	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.4	175.4	-55.5	0	0	0	0	112.8	N333 E334 H335 Q339	N333-S337 VanDerWaalsContact O-CB 3.31Å; N333-S337 WeakPolarHBondContact O-CB 3.09Å; N333-S337 PolarHBondContact O-N 3.34Å; N333-S337 VanDerWaalsContact O-N 3.14Å; N333-S337 PolarHBondContact O-OG 3.22Å; E334-S337 PolarHBondContact O-N 3.42Å; H335-S337 PolarHBondContact O-N 3.11Å; S337-Q339 PolarHBondContact O-N 3.44Å
338	G	91.6	Very high	95.7	Very high	74 Å²	74	43.9 Å²	43.9	76%	0.763	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	15.7	-174.9	0	0	0	0	0	113.7	E334 H335	E334-G338 PolarHBondContact O-N 3.37Å; H335-G338 PolarHBondContact O-N 2.82Å
339	Q	92.1	Very high	95.8	Very high	120 Å²	120	43.9 Å²	43.9	56%	0.561	26%	0.26	S	S	*	.			trans	-86.4	153.1	176.1	-61.3	-179.7	-6.2	0	0	110.3	E334 S337 V341	E334-Q339 HydrophobicContact CB-CB 4.39Å; E334-Q339 WeakPolarHBondContact O-CB 3.4Å; E334-Q339 PolarHBondContact O-N 3.1Å; S337-Q339 PolarHBondContact O-N 3.44Å; Q339-V341 PolarHBondContact O-N 2.88Å
340	A	89.4	Confident	95.8	Very high	78 Å²	78	41.8 Å²	41.8	65%	0.645	25%	0.248	S	C	*	.			trans	-67.4	133.6	170	0	0	0	0	0	110	N342	A340-N342 PolarHBondContact O-N 3.45Å
341	V	94.2	Very high	95.8	Very high	23 Å²	23	36.9 Å²	36.9	14%	0.139	23%	0.227	C	C	.	.			trans	-70.3	112.1	175.4	178.5	0	0	0	0	109.1	A331 E334 H335 Q339 E343	A331-V341 HydrophobicContact CB-CG1 4.03Å; E334-V341 HydrophobicContact CB-CG2 4.4Å; E334-V341 WeakPolarHBondContact OE2-CA 3.43Å; H335-V341 HydrophobicContact CB-CG2 4.19Å; Q339-V341 PolarHBondContact O-N 2.88Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 2.89Å
342	N	91.3	Very high	95.9	Very high	89 Å²	89	36.8 Å²	36.8	48%	0.476	23%	0.226	S	C	.	.	S	Bend	trans	-77.1	-16.7	-172.1	-67.3	-55.8	0	0	0	113.4	L165 E334 A340	L165-N342 WeakPolarHBondContact CD2-O 3.23Å; E334-N342 PolarHBondContact OE1-ND2 2.83Å; E334-N342 PolarHBondContact OE2-N 3.29Å; A340-N342 PolarHBondContact O-N 3.45Å
343	E	95.9	Very high	95.9	Very high	27 Å²	27	39.1 Å²	39.1	13%	0.126	24%	0.236	C	C	.	.			trans	-130.6	81.7	176.3	-172	179	115	0	0	108.2	H76 K167 R327 V341 V345 T346	H76-E343 PolarHBondContact CE1-O 2.57Å; H76-E343 PolarHBondContact ND1-O 3.26Å; K167-E343 HydrophobicContact CG-CG 3.81Å; R327-E343 WeakPolarHBondContact CD-OE1 3.49Å; R327-E343 IonicContact CZ-OE1 3.51Å; R327-E343 IonicContact NE-OE1 2.97Å; R327-E343 IonicContact NH1-OE1 2.63Å; R327-E343 PolarHBondContact NH1-OE1 3.48Å; R327-E343 IonicContact NH1-OE2 3.58Å; R327-E343 PolarHBondContact NH1-OE2 3.05Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 2.89Å; E343-V345 VanDerWaalsContact C-N 3.34Å; E343-T346 VanDerWaalsContact CG-OG1 3.32Å; E343-T346 WeakPolarHBondContact CG-OG1 3.35Å; E343-T346 PolarHBondContact OE1-OG1 3.04Å
344	A	97.5	Very high	96	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	21%	0.211	C	C	.	.	S	Bend	trans	-70.5	-34.9	-179	0	0	0	0	0	111.5	H76 L77 I155 K160 L165	H76-A344 CarbonylContact C-O 3.6Å; H76-A344 WeakPolarHBondContact CA-O 3.43Å; L77-A344 PolarHBondContact N-O 3.26Å; I155-A344 HydrophobicContact CD1-CB 4.46Å; I155-A344 WeakPolarHBondContact CD1-O 3.46Å; I155-A344 HydrophobicContact CG1-CB 3.97Å; K160-A344 HydrophobicContact CD-CB 3.86Å; L165-A344 HydrophobicContact CB-CB 4.12Å; L165-A344 PolarHBondContact O-N 3.48Å
345	V	98.7	Very high	96.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.9	-178.6	-176.6	0	0	0	0	111	L77 I155 I156 L165 I166 K167 E343 V347	L77-V345 HydrophobicContact CB-CG2 4.41Å; L77-V345 HydrophobicContact CD2-CG1 3.88Å; L77-V345 CarbonylContact O-C 3.51Å; L77-V345 VanDerWaalsContact O-CA 3.25Å; L77-V345 WeakPolarHBondContact O-CA 3.36Å; I155-V345 HydrophobicContact CB-CG2 4.45Å; I155-V345 HydrophobicContact CG1-CG2 3.86Å; I155-V345 HydrophobicContact CG2-CG2 4.21Å; I155-V345 VanDerWaalsContact O-CG2 3.29Å; I155-V345 WeakPolarHBondContact O-CG2 3.29Å; I156-V345 HydrophobicContact CG1-CG1 4.26Å; I156-V345 HydrophobicContact CG1-CG2 3.88Å; L165-V345 PolarHBondContact O-N 3.43Å; L165-V345 VanDerWaalsContact O-N 3.11Å; I166-V345 CarbonylContact C-O 3.59Å; I166-V345 WeakPolarHBondContact CA-O 3.38Å; I166-V345 HydrophobicContact CB-CB 4.28Å; I166-V345 HydrophobicContact CD1-CB 4.49Å; I166-V345 HydrophobicContact CD1-CG2 4.44Å; I166-V345 HydrophobicContact CG1-CB 3.98Å; I166-V345 HydrophobicContact CG1-CG2 4.21Å; I166-V345 HydrophobicContact CG2-CB 4Å; I166-V345 HydrophobicContact CG2-CG1 4.05Å; K167-V345 PolarHBondContact N-O 3Å; E343-V345 VanDerWaalsContact C-N 3.34Å; V345-V347 HydrophobicContact CG1-CG2 4Å
346	T	98.6	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.9	170	-76.7	0	0	0	0	110.9	L77 T78 A79 K167 I169 E343 Q348	L77-T346 PolarHBondContact O-N 2.89Å; T78-T346 CarbonylContact C-O 3.16Å; T78-T346 WeakPolarHBondContact CA-O 3.42Å; A79-T346 PolarHBondContact N-O 3.11Å; K167-T346 WeakPolarHBondContact O-CA 3.28Å; I169-T346 HydrophobicContact CD1-CG2 4.28Å; E343-T346 VanDerWaalsContact CG-OG1 3.32Å; E343-T346 WeakPolarHBondContact CG-OG1 3.35Å; E343-T346 PolarHBondContact OE1-OG1 3.04Å; T346-Q348 HydrophobicContact CG2-CG 3.58Å
347	V	98.9	Very high	96.5	Very high	2 Å²	2	27 Å²	27	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.9	179	-179.5	0	0	0	0	108.8	I81 I166 K167 F168 I169 F183 V345 V349	I81-V347 HydrophobicContact CD1-CG1 3.81Å; I166-V347 HydrophobicContact CG2-CG2 4.48Å; K167-V347 PolarHBondContact O-N 2.77Å; F168-V347 CarbonylContact C-O 3.56Å; F168-V347 WeakPolarHBondContact CA-O 3.24Å; F168-V347 HydrophobicContact CD1-CB 3.79Å; F168-V347 HydrophobicContact CD1-CG1 4.18Å; F168-V347 HydrophobicContact CD1-CG2 4.27Å; F168-V347 HydrophobicContact CE1-CB 4.08Å; F168-V347 HydrophobicContact CE1-CG1 4.47Å; F168-V347 HydrophobicContact CE1-CG2 4.06Å; I169-V347 PolarHBondContact N-O 3.37Å; F183-V347 HydrophobicContact CD1-CG1 4.15Å; F183-V347 HydrophobicContact CD1-CG2 4.48Å; F183-V347 HydrophobicContact CD2-CG1 4.42Å; F183-V347 HydrophobicContact CE1-CG1 4.12Å; F183-V347 HydrophobicContact CE1-CG2 3.8Å; F183-V347 HydrophobicContact CE2-CG1 4.38Å; F183-V347 HydrophobicContact CG-CG1 4.3Å; F183-V347 HydrophobicContact CZ-CG1 4.23Å; F183-V347 HydrophobicContact CZ-CG2 4.02Å; V345-V347 HydrophobicContact CG1-CG2 4Å; V347-V349 HydrophobicContact CG1-CG2 4.3Å
348	Q	98.9	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.9	-174.6	-57.9	-179.8	-45.6	0	0	109.9	A79 I80 I81 I169 M207 D323 T346	A79-Q348 PolarHBondContact O-N 3.41Å; I80-Q348 CarbonylContact C-O 3.51Å; I80-Q348 WeakPolarHBondContact CA-O 3.33Å; I81-Q348 PolarHBondContact N-O 2.91Å; I169-Q348 HydrophobicContact CB-CG 4.21Å; I169-Q348 HydrophobicContact CD1-CG 4.33Å; I169-Q348 CarbonylContact O-C 3.53Å; I169-Q348 VanDerWaalsContact O-CA 3.32Å; I169-Q348 WeakPolarHBondContact O-CA 3.42Å; M207-Q348 HydrophobicContact CE-CB 3.75Å; M207-Q348 HydrophobicContact SD-CB 3.85Å; D323-Q348 PolarHBondContact OD2-NE2 3.1Å; T346-Q348 HydrophobicContact CG2-CG 3.58Å
349	V	98.9	Very high	97.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119	-176.2	-174.3	0	0	0	0	112.2	I81 I169 T170 S171 C176 T180 M207 V347	I81-V349 HydrophobicContact CB-CG2 4.42Å; I81-V349 CarbonylContact O-C 3.57Å; I81-V349 VanDerWaalsContact O-CA 3.29Å; I81-V349 WeakPolarHBondContact O-CA 3.39Å; I169-V349 PolarHBondContact O-N 2.78Å; T170-V349 WeakPolarHBondContact CA-O 3.42Å; T170-V349 PolarHBondContact OG1-O 3.09Å; S171-V349 PolarHBondContact N-O 3.41Å; S171-V349 VanDerWaalsContact N-O 3.07Å; C176-V349 HydrophobicContact CB-CG1 4.2Å; T180-V349 VanDerWaalsContact OG1-CB 3.31Å; T180-V349 WeakPolarHBondContact OG1-CB 3.38Å; T180-V349 VanDerWaalsContact OG1-CG2 3.29Å; T180-V349 WeakPolarHBondContact OG1-CG2 3.48Å; M207-V349 VanDerWaalsContact CE-C 3.5Å; V347-V349 HydrophobicContact CG1-CG2 4.3Å
350	G	98.7	Very high	97.4	Very high	1 Å²	1	14 Å²	14	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	-140.5	-178.3	0	0	0	0	0	113.2	I81 H83 C176	I81-G350 PolarHBondContact O-N 3.09Å; H83-G350 PolarHBondContact N-O 2.98Å; C176-G350 PolarHBondContact SG-O 3.47Å
351	H	98.7	Very high	97.9	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.014	6%	0.058	C	C	.	.			trans	-119.8	172.7	-173	-56.3	-71.7	0	0	0	112.2	H83 S171 C176 R208 F210 E353 T354 L355	H83-H351 AromaticContact CD2-ND1 3.58Å; S171-H351 PolarHBondContact OG-NE2 2.65Å; C176-H351 PolarHBondContact SG-CE1 3.16Å; R208-H351 PolarHBondContact NH1-NE2 3.17Å; F210-H351 AromaticContact CZ-CD2 3.91Å; H351-E353 HydrophobicContact CB-CB 4.3Å; H351-E353 VanDerWaalsContact CB-OE2 3.3Å; H351-E353 WeakPolarHBondContact CB-OE2 3.11Å; H351-E353 PolarHBondContact O-N 3.26Å; H351-T354 PolarHBondContact N-OG1 3.12Å; H351-T354 WeakPolarHBondContact O-CB 3.29Å; H351-T354 PolarHBondContact O-N 3.4Å; H351-L355 PolarHBondContact O-N 3.42Å; H351-L355 VanDerWaalsContact O-N 3.09Å
352	A	98.3	Very high	98.1	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-59.1	-37.1	165.8	0	0	0	0	0	109.8	T42 T354 L355 L356 L390	T42-A352 HydrophobicContact CG2-CB 4.46Å; A352-T354 PolarHBondContact O-N 3.24Å; A352-L355 PolarHBondContact O-N 3.34Å; A352-L356 VanDerWaalsContact O-CB 3.26Å; A352-L356 WeakPolarHBondContact O-CB 3.22Å; A352-L356 PolarHBondContact O-N 2.75Å; A352-L390 HydrophobicContact CB-CD1 4.4Å
353	E	97.6	Very high	98.4	Very high	59 Å²	59	7 Å²	7	28%	0.276	4%	0.04	S	C	.	.	H	α-helix	trans	-70	-11.8	176	-60.5	82.4	174.5	0	0	113.6	F210 R306 H351 P357	F210-E353 HydrophobicContact CD1-CB 4.07Å; F210-E353 WeakPolarHBondContact CD1-O 3.41Å; F210-E353 HydrophobicContact CE1-CB 3.71Å; F210-E353 HydrophobicContact CE2-CB 4.22Å; F210-E353 HydrophobicContact CG-CB 4.49Å; F210-E353 HydrophobicContact CZ-CB 3.79Å; R306-E353 HydrophobicContact CG-CG 4.45Å; H351-E353 HydrophobicContact CB-CB 4.3Å; H351-E353 VanDerWaalsContact CB-OE2 3.3Å; H351-E353 WeakPolarHBondContact CB-OE2 3.11Å; H351-E353 PolarHBondContact O-N 3.26Å; E353-P357 VanDerWaalsContact O-CD 3.29Å; E353-P357 WeakPolarHBondContact O-CD 3.29Å; E353-P357 WeakPolarHBondContact O-CG 3.44Å
354	T	98.4	Very high	98.5	Very high	1 Å²	1	6 Å²	6	1%	0.006	4%	0.036	C	C	.	.	H	α-helix	trans	-88.8	-46.4	169.4	-46.5	0	0	0	0	110.4	M207 F209 L320 H351 A352	M207-T354 HydrophobicContact CE-CG2 3.86Å; M207-T354 PolarHBondContact O-OG1 3.32Å; F209-T354 HydrophobicContact CE1-CG2 3.93Å; L320-T354 HydrophobicContact CD2-CG2 3.78Å; H351-T354 PolarHBondContact N-OG1 3.12Å; H351-T354 WeakPolarHBondContact O-CB 3.29Å; H351-T354 PolarHBondContact O-N 3.4Å; A352-T354 PolarHBondContact O-N 3.24Å
355	L	98.7	Very high	98.4	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-76.9	-41.7	-172.2	-176.7	59.2	0	0	0	112.9	I80 H351 A352 L358 L359 L390 A394 L396	I80-L355 HydrophobicContact CB-CD1 4.47Å; I80-L355 HydrophobicContact CG2-CD1 4.22Å; H351-L355 PolarHBondContact O-N 3.42Å; H351-L355 VanDerWaalsContact O-N 3.09Å; A352-L355 PolarHBondContact O-N 3.34Å; L355-L358 PolarHBondContact O-N 3.21Å; L355-L359 HydrophobicContact CD1-CD1 4.27Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CD2-CD1 4.44Å; L355-L359 HydrophobicContact CG-CD1 3.87Å; L355-L359 HydrophobicContact CG-CG 4.2Å; L355-L359 WeakPolarHBondContact O-CG 3.28Å; L355-L359 PolarHBondContact O-N 2.97Å; L355-L390 HydrophobicContact CB-CD2 4.15Å; L355-L390 HydrophobicContact CD2-CD2 3.86Å; L355-L390 HydrophobicContact CG-CD2 3.99Å; L355-A394 HydrophobicContact CD2-CB 3.93Å; L355-L396 HydrophobicContact CD1-CB 3.67Å
356	L	98.8	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.3	-50.1	-175.8	176.8	57.8	0	0	0	113.1	Q302 R306 A352 L358 L359 T360 F384 M389 L390	Q302-L356 HydrophobicContact CB-CD2 3.89Å; R306-L356 HydrophobicContact CB-CD2 3.72Å; R306-L356 HydrophobicContact CB-CG 4.3Å; A352-L356 VanDerWaalsContact O-CB 3.26Å; A352-L356 WeakPolarHBondContact O-CB 3.22Å; A352-L356 PolarHBondContact O-N 2.75Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.23Å; L356-L359 PolarHBondContact O-N 3.35Å; L356-T360 HydrophobicContact CD1-CG2 3.83Å; L356-T360 PolarHBondContact O-N 3.18Å; L356-T360 PolarHBondContact O-OG1 3.48Å; L356-F384 HydrophobicContact CD1-CE2 3.8Å; L356-F384 HydrophobicContact CD1-CZ 3.88Å; L356-F384 HydrophobicContact CD2-CZ 4.17Å; L356-M389 HydrophobicContact CD1-CE 3.64Å; L356-L390 HydrophobicContact CB-CD1 3.65Å; L356-L390 HydrophobicContact CB-CD2 4.27Å; L356-L390 HydrophobicContact CD1-CD1 4.04Å; L356-L390 HydrophobicContact CD2-CD1 3.83Å; L356-L390 HydrophobicContact CG-CD1 4.03Å
357	P	98.7	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53.1	-45.4	175.1	-32	40.1	0	0	0	112.9	F209 N313 E353 T360 L361	F209-P357 HydrophobicContact CE2-CB 4.08Å; F209-P357 HydrophobicContact CE2-CG 4.18Å; F209-P357 HydrophobicContact CZ-CB 3.96Å; F209-P357 HydrophobicContact CZ-CG 4.15Å; N313-P357 WeakPolarHBondContact O-CB 3.39Å; E353-P357 VanDerWaalsContact O-CD 3.29Å; E353-P357 WeakPolarHBondContact O-CD 3.29Å; E353-P357 WeakPolarHBondContact O-CG 3.44Å; P357-T360 CarbonylContact O-C 3.41Å; P357-T360 PolarHBondContact O-N 3.23Å; P357-T360 PolarHBondContact O-OG1 2.9Å; P357-L361 WeakPolarHBondContact O-CB 3.49Å; P357-L361 PolarHBondContact O-N 2.92Å
358	L	98.8	Very high	98	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-46.7	179.1	179.8	65.6	0	0	0	112.2	I80 S317 L320 F321 L355 L356 T360 L361 L362 L396	I80-L358 HydrophobicContact CD1-CD2 3.96Å; I80-L358 HydrophobicContact CG1-CD2 4.39Å; S317-L358 WeakPolarHBondContact OG-CA 3.49Å; S317-L358 PolarHBondContact OG-N 3.4Å; L320-L358 HydrophobicContact CD2-CB 4.38Å; L320-L358 HydrophobicContact CD2-CD2 3.85Å; L320-L358 HydrophobicContact CG-CD2 4.06Å; F321-L358 HydrophobicContact CB-CD1 3.99Å; F321-L358 HydrophobicContact CD2-CD1 4.49Å; L355-L358 PolarHBondContact O-N 3.21Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.23Å; L358-T360 VanDerWaalsContact C-N 3.26Å; L358-T360 PolarHBondContact O-N 3.36Å; L358-L361 PolarHBondContact O-N 3.36Å; L358-L362 HydrophobicContact CD1-CD1 4.3Å; L358-L362 HydrophobicContact CD1-CG 4.47Å; L358-L362 HydrophobicContact CG-CD1 4.2Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.04Å; L358-L396 HydrophobicContact CD2-CD2 3.93Å; L358-L396 HydrophobicContact CG-CD2 4.4Å
359	L	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-42.8	176.3	-73.1	174.2	0	0	0	111.2	L355 L356 L362 G363 F364 F365 L390 L396 V414	L355-L359 HydrophobicContact CD1-CD1 4.27Å; L355-L359 HydrophobicContact CD1-CG 4.12Å; L355-L359 HydrophobicContact CD2-CD1 4.44Å; L355-L359 HydrophobicContact CG-CD1 3.87Å; L355-L359 HydrophobicContact CG-CG 4.2Å; L355-L359 WeakPolarHBondContact O-CG 3.28Å; L355-L359 PolarHBondContact O-N 2.97Å; L356-L359 PolarHBondContact O-N 3.35Å; L359-L362 PolarHBondContact O-N 2.91Å; L359-G363 PolarHBondContact O-N 3.37Å; L359-F364 HydrophobicContact CD2-CD2 3.93Å; L359-F364 WeakPolarHBondContact O-CB 3.22Å; L359-F364 PolarHBondContact O-N 3.23Å; L359-F365 HydrophobicContact CD1-CE2 4.47Å; L359-L390 HydrophobicContact CD1-CD2 4.24Å; L359-L396 HydrophobicContact CD2-CB 4.35Å; L359-L396 HydrophobicContact CD2-CD1 4.19Å; L359-L396 HydrophobicContact CD2-CD2 4.17Å; L359-L396 HydrophobicContact CD2-CG 4.48Å; L359-V414 HydrophobicContact CD2-CG2 3.86Å
360	T	98.6	Very high	97.8	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-74.2	-29.6	178	58.5	0	0	0	0	113.8	Y308 S314 L356 P357 L358 L362 G363 F384	Y308-T360 HydrophobicContact CD2-CG2 3.93Å; Y308-T360 HydrophobicContact CE1-CG2 4.21Å; Y308-T360 VanDerWaalsContact CE1-O 3.26Å; Y308-T360 WeakPolarHBondContact CE1-O 3.43Å; Y308-T360 HydrophobicContact CE2-CG2 3.57Å; Y308-T360 HydrophobicContact CG-CG2 4.37Å; Y308-T360 WeakPolarHBondContact OH-CA 3.32Å; Y308-T360 PolarHBondContact OH-O 2.98Å; S314-T360 WeakPolarHBondContact CB-OG1 3.28Å; L356-T360 HydrophobicContact CD1-CG2 3.83Å; L356-T360 PolarHBondContact O-N 3.18Å; L356-T360 PolarHBondContact O-OG1 3.48Å; P357-T360 CarbonylContact O-C 3.41Å; P357-T360 PolarHBondContact O-N 3.23Å; P357-T360 PolarHBondContact O-OG1 2.9Å; L358-T360 VanDerWaalsContact C-N 3.26Å; L358-T360 PolarHBondContact O-N 3.36Å; T360-L362 VanDerWaalsContact C-N 3.3Å; T360-G363 PolarHBondContact O-N 3.08Å; T360-F384 HydrophobicContact CG2-CE2 3.98Å
361	L	98.6	Very high	97.7	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-36.7	173.4	-173	62.1	0	0	0	110.8	K315 S317 F321 P357 L358 G363 L444	K315-L361 HydrophobicContact CG-CD1 4.23Å; S317-L361 WeakPolarHBondContact OG-CD2 3.27Å; F321-L361 HydrophobicContact CB-CD2 3.74Å; F321-L361 HydrophobicContact CD2-CD2 4.35Å; F321-L361 HydrophobicContact CG-CD2 4.08Å; P357-L361 WeakPolarHBondContact O-CB 3.49Å; P357-L361 PolarHBondContact O-N 2.92Å; L358-L361 PolarHBondContact O-N 3.36Å; L361-G363 PolarHBondContact O-N 3.48Å; L361-L444 HydrophobicContact CD1-CD1 4Å; L361-L444 HydrophobicContact CD1-CD2 3.91Å; L361-L444 HydrophobicContact CG-CD1 3.99Å
362	L	98.3	Very high	97.7	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.4	171.8	-65.8	169.8	0	0	0	113.2	F321 F325 L358 L359 T360 F364 L396 P422 Y441	F321-L362 HydrophobicContact CD2-CD2 3.91Å; F321-L362 HydrophobicContact CE2-CD2 3.74Å; F325-L362 HydrophobicContact CE2-CD2 4.36Å; L358-L362 HydrophobicContact CD1-CD1 4.3Å; L358-L362 HydrophobicContact CD1-CG 4.47Å; L358-L362 HydrophobicContact CG-CD1 4.2Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-L362 PolarHBondContact O-N 3.04Å; L359-L362 PolarHBondContact O-N 2.91Å; T360-L362 VanDerWaalsContact C-N 3.3Å; L362-F364 HydrophobicContact CB-CD2 3.66Å; L362-F364 HydrophobicContact CB-CE2 3.74Å; L362-F364 HydrophobicContact CD1-CD2 4.28Å; L362-F364 HydrophobicContact CD1-CE2 3.85Å; L362-F364 HydrophobicContact CG-CE2 4.42Å; L362-L396 HydrophobicContact CD1-CD2 3.92Å; L362-P422 WeakPolarHBondContact O-CG 3.33Å; L362-Y441 HydrophobicContact CB-CE1 4.45Å; L362-Y441 HydrophobicContact CD2-CD1 4.47Å; L362-Y441 HydrophobicContact CD2-CD2 4.38Å; L362-Y441 HydrophobicContact CD2-CE1 4.07Å; L362-Y441 HydrophobicContact CD2-CE2 3.97Å; L362-Y441 WeakPolarHBondContact O-CE1 3.49Å; L362-Y441 PolarHBondContact O-OH 3.13Å
363	G	97.6	Very high	97.7	Very high	20 Å²	20	33.3 Å²	33.3	21%	0.206	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	7.6	177.8	0	0	0	0	0	115.3	Y308 L359 T360 L361 P422	Y308-G363 VanDerWaalsContact OH-CA 3.23Å; Y308-G363 WeakPolarHBondContact OH-CA 3.29Å; Y308-G363 PolarHBondContact OH-O 3.01Å; L359-G363 PolarHBondContact O-N 3.37Å; T360-G363 PolarHBondContact O-N 3.08Å; L361-G363 PolarHBondContact O-N 3.48Å; G363-P422 VanDerWaalsContact O-CG 3.24Å; G363-P422 WeakPolarHBondContact O-CG 3.19Å
364	F	97.8	Very high	97.7	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.031	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	144.5	-178.4	-71.3	-70.1	0	0	0	111.8	Y308 L359 L362 K366 P412 V419 V420 F421 P422	Y308-F364 PolarHBondContact OH-N 3.2Å; Y308-F364 PolarHBondContact OH-O 3.07Å; L359-F364 HydrophobicContact CD2-CD2 3.93Å; L359-F364 WeakPolarHBondContact O-CB 3.22Å; L359-F364 PolarHBondContact O-N 3.23Å; L362-F364 HydrophobicContact CB-CD2 3.66Å; L362-F364 HydrophobicContact CB-CE2 3.74Å; L362-F364 HydrophobicContact CD1-CD2 4.28Å; L362-F364 HydrophobicContact CD1-CE2 3.85Å; L362-F364 HydrophobicContact CG-CE2 4.42Å; F364-K366 PolarHBondContact O-N 3.08Å; F364-P412 HydrophobicContact CZ-CB 4.16Å; F364-P412 HydrophobicContact CZ-CG 4.38Å; F364-V419 HydrophobicContact CD1-CG2 4.21Å; F364-V419 HydrophobicContact CE1-CB 4.14Å; F364-V419 HydrophobicContact CE1-CG2 3.45Å; F364-V419 VanDerWaalsContact CE1-CG2 3.45Å; F364-V419 HydrophobicContact CZ-CG2 3.83Å; F364-V420 WeakPolarHBondContact CE1-O 3.38Å; F364-F421 HydrophobicContact CE2-CD1 4.38Å; F364-F421 HydrophobicContact CE2-CE1 4.39Å; F364-F421 AromaticContact CZ-CD1 3.77Å; F364-F421 HydrophobicContact CZ-CD1 3.77Å; F364-F421 HydrophobicContact CZ-CE1 4.01Å; F364-P422 HydrophobicContact CD1-CG 3.92Å; F364-P422 HydrophobicContact CE1-CG 4.33Å; F364-P422 HydrophobicContact CG-CG 4.27Å
365	F	96.8	Very high	97.7	Very high	57 Å²	57	37.3 Å²	37.3	25%	0.25	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	29.9	176.5	-45.2	-78.3	0	0	0	113.9	L359 M389 V414	L359-F365 HydrophobicContact CD1-CE2 4.47Å; F365-M389 HydrophobicContact CB-CE 3.94Å; F365-M389 HydrophobicContact CB-CG 4.47Å; F365-M389 HydrophobicContact CB-SD 3.84Å; F365-M389 HydrophobicContact CD1-CG 4.09Å; F365-M389 HydrophobicContact CD1-SD 4.5Å; F365-M389 HydrophobicContact CD2-CE 3.6Å; F365-M389 HydrophobicContact CD2-CG 3.79Å; F365-M389 HydrophobicContact CD2-SD 4.02Å; F365-M389 HydrophobicContact CE1-CG 4.27Å; F365-M389 HydrophobicContact CE2-CE 4.4Å; F365-M389 HydrophobicContact CE2-CG 3.97Å; F365-M389 HydrophobicContact CG-CE 3.97Å; F365-M389 HydrophobicContact CG-CG 3.85Å; F365-M389 HydrophobicContact CG-SD 3.87Å; F365-M389 HydrophobicContact CZ-CG 4.21Å; F365-V414 HydrophobicContact CE2-CG1 4.22Å; F365-V414 HydrophobicContact CE2-CG2 4.4Å; F365-V414 HydrophobicContact CZ-CB 4.35Å; F365-V414 HydrophobicContact CZ-CG1 3.98Å; F365-V414 HydrophobicContact CZ-CG2 4.42Å
366	K	96.5	Very high	97.6	Very high	143 Å²	143	37.9 Å²	37.9	62%	0.622	21%	0.213	S	C	*	.			trans	-78.3	120.8	175.7	-166	174.5	-177.6	179.4	0	110	Y308 F364	Y308-K366 HydrophobicContact CD1-CD 4.35Å; Y308-K366 HydrophobicContact CD1-CG 4.28Å; Y308-K366 HydrophobicContact CD2-CG 4.41Å; Y308-K366 HydrophobicContact CE1-CB 4.15Å; Y308-K366 HydrophobicContact CE1-CD 3.97Å; Y308-K366 HydrophobicContact CE1-CG 3.97Å; Y308-K366 HydrophobicContact CE2-CB 3.87Å; Y308-K366 HydrophobicContact CE2-CG 4.11Å; Y308-K366 HydrophobicContact CG-CG 4.49Å; F364-K366 PolarHBondContact O-N 3.08Å
367	D	96.3	Very high	97.5	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.123	24%	0.241	C	C	.	.			trans	-74.6	155	172.4	-70.6	-68.7	0	0	0	111.9	E369 L371 R382 S383 F384	D367-E369 VanDerWaalsContact C-N 3.32Å; D367-E369 WeakPolarHBondContact CB-O 3.41Å; D367-L371 HydrophobicContact CB-CD1 4.09Å; D367-L371 WeakPolarHBondContact OD2-CD1 3.38Å; D367-R382 VanDerWaalsContact OD1-CA 3.29Å; D367-R382 WeakPolarHBondContact OD1-CA 3.36Å; D367-S383 WeakPolarHBondContact OD1-CB 3.48Å; D367-S383 PolarHBondContact OD1-N 3.05Å; D367-F384 WeakPolarHBondContact OD2-CB 3.49Å; D367-F384 PolarHBondContact OD2-N 3.12Å
368	S	94.1	Very high	97.4	Very high	128 Å²	128	45 Å²	45	90%	0.895	27%	0.267	S	S	*	.	S	Bend	trans	-67.5	-35.2	173.2	52.4	0	0	0	0	111.9
369	E	95.9	Very high	97.3	Very high	108 Å²	108	45.5 Å²	45.5	51%	0.505	27%	0.269	S	S	.	.	S	Bend	trans	-109.9	142.4	176.5	-66.3	-174.4	177.2	0	0	110.8	D367 Q379	D367-E369 VanDerWaalsContact C-N 3.32Å; D367-E369 WeakPolarHBondContact CB-O 3.41Å; E369-Q379 PolarHBondContact O-NE2 2.95Å; E369-Q379 VanDerWaalsContact O-NE2 3.11Å
370	T	97.4	Very high	97	Very high	77 Å²	77	52.1 Å²	52.1	47%	0.472	29%	0.294	S	S	.	.			trans	-65.2	136.3	174.6	-61	0	0	0	0	110	F303 W304 T372 N375	F303-T370 HydrophobicContact CE1-CG2 3.7Å; F303-T370 HydrophobicContact CZ-CG2 3.84Å; W304-T370 HydrophobicContact CH2-CG2 4.07Å; W304-T370 HydrophobicContact CZ2-CG2 3.75Å; T370-T372 HydrophobicContact CG2-CG2 4.43Å; T370-T372 PolarHBondContact O-N 2.96Å; T370-N375 PolarHBondContact O-ND2 3.03Å
371	L	97.9	Very high	96.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.			trans	-71.4	121.9	175.2	-83.6	59.2	0	0	0	109.6	Y296 D299 L300 F303 W304 D367 F384	Y296-L371 HydrophobicContact CE2-CG 4.41Å; D299-L371 HydrophobicContact CB-CD2 4.46Å; L300-L371 HydrophobicContact CD2-CB 3.96Å; F303-L371 HydrophobicContact CB-CD2 4.26Å; F303-L371 HydrophobicContact CD1-CB 4.21Å; F303-L371 HydrophobicContact CD2-CB 4Å; F303-L371 HydrophobicContact CD2-CD1 4.09Å; F303-L371 HydrophobicContact CD2-CD2 3.82Å; F303-L371 HydrophobicContact CD2-CG 4.19Å; F303-L371 HydrophobicContact CE1-CB 4.38Å; F303-L371 HydrophobicContact CE2-CB 4.14Å; F303-L371 HydrophobicContact CE2-CD1 3.87Å; F303-L371 HydrophobicContact CE2-CD2 4.44Å; F303-L371 HydrophobicContact CE2-CG 4.37Å; F303-L371 HydrophobicContact CG-CB 4.02Å; F303-L371 HydrophobicContact CG-CD2 4.19Å; F303-L371 HydrophobicContact CZ-CB 4.35Å; W304-L371 WeakPolarHBondContact CZ2-O 3.18Å; W304-L371 PolarHBondContact NE1-O 2.84Å; D367-L371 HydrophobicContact CB-CD1 4.09Å; D367-L371 WeakPolarHBondContact OD2-CD1 3.38Å; L371-F384 HydrophobicContact CD1-CB 4.44Å; L371-F384 HydrophobicContact CD2-CB 4.17Å; L371-F384 HydrophobicContact CD2-CD1 3.9Å; L371-F384 HydrophobicContact CD2-CG 4.37Å
372	T	98.4	Very high	96.8	Very high	32 Å²	32	59.2 Å²	59.2	20%	0.196	33%	0.326	C	S	.	.			trans	-129.1	170.3	179.7	72.2	0	0	0	0	111.4	E229 Y296 T370 T374 N375	E229-T372 WeakPolarHBondContact OE2-CB 3.39Å; Y296-T372 WeakPolarHBondContact CE1-O 3.45Å; Y296-T372 PolarHBondContact OH-N 3.33Å; Y296-T372 PolarHBondContact OH-O 2.94Å; T370-T372 HydrophobicContact CG2-CG2 4.43Å; T370-T372 PolarHBondContact O-N 2.96Å; T372-T374 PolarHBondContact O-N 3.23Å; T372-T374 PolarHBondContact OG1-N 3.17Å; T372-T374 PolarHBondContact OG1-OG1 3.45Å; T372-N375 PolarHBondContact N-OD1 2.79Å; T372-N375 PolarHBondContact O-OD1 3.49Å; T372-N375 PolarHBondContact OG1-OD1 3.35Å; T372-N375 VanDerWaalsContact OG1-OD1 3.12Å
373	S	98.3	Very high	96.7	Very high	15 Å²	15	62 Å²	62	11%	0.105	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.3	173.7	52.6	0	0	0	0	114.1	E229 F233	E229-S373 VanDerWaalsContact O-CB 3.29Å; E229-S373 WeakPolarHBondContact O-CB 3.47Å; E229-S373 VanDerWaalsContact OE2-CB 3.28Å; E229-S373 WeakPolarHBondContact OE2-CB 3.42Å; E229-S373 PolarHBondContact OE2-N 3Å; E229-S373 PolarHBondContact OE2-OG 3.43Å; F233-S373 WeakPolarHBondContact CD2-O 3.38Å
374	T	97.8	Very high	96.8	Very high	125 Å²	125	61 Å²	61	77%	0.767	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-7.4	-169.7	60.3	0	0	0	0	114.1	T372	T372-T374 PolarHBondContact O-N 3.23Å; T372-T374 PolarHBondContact OG1-N 3.17Å; T372-T374 PolarHBondContact OG1-OG1 3.45Å
375	N	97.6	Very high	96.8	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.102	34%	0.338	C	S	.	.			trans	-110.9	20.6	-175.1	69	-10.9	0	0	0	114.3	Y296 T370 T372 A377 S378 Q379	Y296-N375 PolarHBondContact OH-OD1 3.17Å; T370-N375 PolarHBondContact O-ND2 3.03Å; T372-N375 PolarHBondContact N-OD1 2.79Å; T372-N375 PolarHBondContact O-OD1 3.49Å; T372-N375 PolarHBondContact OG1-OD1 3.35Å; T372-N375 VanDerWaalsContact OG1-OD1 3.12Å; N375-A377 PolarHBondContact O-N 2.83Å; N375-A377 VanDerWaalsContact O-N 3.16Å; N375-S378 PolarHBondContact O-N 3.37Å; N375-S378 VanDerWaalsContact O-N 3.15Å; N375-S378 PolarHBondContact O-OG 3.34Å; N375-Q379 HydrophobicContact CB-CG 4.2Å; N375-Q379 PolarHBondContact ND2-NE2 3.24Å; N375-Q379 VanDerWaalsContact O-CB 3.26Å; N375-Q379 WeakPolarHBondContact O-CB 3.48Å; N375-Q379 VanDerWaalsContact O-CG 3.25Å; N375-Q379 WeakPolarHBondContact O-CG 3.34Å; N375-Q379 PolarHBondContact O-N 2.91Å
376	Y	97.7	Very high	96.8	Very high	13 Å²	13	58.9 Å²	58.9	5%	0.051	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-43.7	174	169.2	-113.1	0	0	0	113.3	F233 E238 Q292 V293 Y296 Q379	F233-Y376 HydrophobicContact CE2-CG 4.1Å; F233-Y376 HydrophobicContact CZ-CD2 4.22Å; F233-Y376 HydrophobicContact CZ-CG 4.17Å; E238-Y376 HydrophobicContact CG-CD1 3.66Å; E238-Y376 HydrophobicContact CG-CE1 4.04Å; E238-Y376 HydrophobicContact CG-CG 4.43Å; Q292-Y376 WeakPolarHBondContact CB-OH 3.36Å; V293-Y376 HydrophobicContact CG2-CE1 4.16Å; V293-Y376 WeakPolarHBondContact CG2-OH 3.49Å; Y296-Y376 AromaticContact CD1-CD2 3.64Å; Y296-Y376 HydrophobicContact CD1-CD2 3.64Å; Y296-Y376 HydrophobicContact CD1-CG 4.18Å; Y296-Y376 AromaticContact CD2-CD2 3.95Å; Y296-Y376 HydrophobicContact CD2-CD2 3.95Å; Y296-Y376 HydrophobicContact CE1-CD2 4.3Å; Y296-Y376 AromaticContact CG-CD2 3.44Å; Y296-Y376 HydrophobicContact CG-CD2 3.44Å; Y296-Y376 VanDerWaalsContact CG-CD2 3.44Å; Y296-Y376 HydrophobicContact CG-CE2 4.16Å; Y296-Y376 HydrophobicContact CG-CG 4.39Å; Y376-Q379 PolarHBondContact O-N 2.78Å
377	A	96.6	Very high	96.8	Very high	69 Å²	69	52.5 Å²	52.5	57%	0.57	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-38.3	-177.1	0	0	0	0	0	113.3	N375 R380	N375-A377 PolarHBondContact O-N 2.83Å; N375-A377 VanDerWaalsContact O-N 3.16Å; A377-R380 WeakPolarHBondContact O-CG 3.38Å
378	S	96.2	Very high	96.9	Very high	80 Å²	80	58.7 Å²	58.7	56%	0.559	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-82.3	-23.1	176.1	57.9	0	0	0	0	112.6	N375 R380	N375-S378 PolarHBondContact O-N 3.37Å; N375-S378 VanDerWaalsContact O-N 3.15Å; N375-S378 PolarHBondContact O-OG 3.34Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.23Å
379	Q	96.2	Very high	97.1	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-90.2	23	-179.6	-67.2	-73.3	13.7	0	0	114.3	Y296 E369 N375 Y376 E381 R382	Y296-Q379 HydrophobicContact CE2-CB 3.73Å; Y296-Q379 HydrophobicContact CE2-CG 4.44Å; E369-Q379 PolarHBondContact O-NE2 2.95Å; E369-Q379 VanDerWaalsContact O-NE2 3.11Å; N375-Q379 HydrophobicContact CB-CG 4.2Å; N375-Q379 PolarHBondContact ND2-NE2 3.24Å; N375-Q379 VanDerWaalsContact O-CB 3.26Å; N375-Q379 WeakPolarHBondContact O-CB 3.48Å; N375-Q379 VanDerWaalsContact O-CG 3.25Å; N375-Q379 WeakPolarHBondContact O-CG 3.34Å; N375-Q379 PolarHBondContact O-N 2.91Å; Y376-Q379 PolarHBondContact O-N 2.78Å; Q379-E381 VanDerWaalsContact C-N 3.26Å; Q379-E381 PolarHBondContact O-N 2.55Å; Q379-R382 HydrophobicContact CB-CB 4.34Å; Q379-R382 WeakPolarHBondContact O-CB 3.42Å; Q379-R382 WeakPolarHBondContact O-CD 3.41Å; Q379-R382 WeakPolarHBondContact O-CG 3.4Å; Q379-R382 PolarHBondContact O-N 3.01Å; Q379-R382 PolarHBondContact O-NH1 3.49Å
380	R	93.3	Very high	97.2	Very high	140 Å²	140	47.5 Å²	47.5	53%	0.528	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.4	-33.3	175.6	-74.6	-174.9	-179.5	-163	3	112.7	A377 S378 R385	A377-R380 WeakPolarHBondContact O-CG 3.38Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.23Å; R380-R385 PolarHBondContact O-NH1 3.16Å; R380-R385 PolarHBondContact O-NH2 3.15Å
381	E	95	Very high	97.2	Very high	159 Å²	159	43.9 Å²	43.9	74%	0.743	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-104.3	20.8	179.6	-62.6	-50.4	137.8	0	0	114.2	Q379 R385	Q379-E381 VanDerWaalsContact C-N 3.26Å; Q379-E381 PolarHBondContact O-N 2.55Å; E381-R385 IonicContact OE2-NH2 3.91Å; E381-R385 PolarHBondContact OE2-NH2 3.16Å; E381-R385 VanDerWaalsContact OE2-NH2 3.12Å
382	R	97.1	Very high	97.3	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	23%	0.232	C	C	.	.			trans	-53.8	146.2	177.6	73.2	-168.9	177	-72	-5.9	112.7	E295 D299 D367 Q379 F384 R385	E295-R382 VanDerWaalsContact CD-NH2 3.32Å; E295-R382 IonicContact OE2-CZ 2.61Å; E295-R382 IonicContact OE2-NH2 3.15Å; E295-R382 PolarHBondContact OE2-NH2 2.85Å; D299-R382 IonicContact OD2-CZ 3.12Å; D299-R382 VanDerWaalsContact OD2-CZ 3.23Å; D299-R382 IonicContact OD2-NE 3.07Å; D299-R382 PolarHBondContact OD2-NE 3.15Å; D299-R382 IonicContact OD2-NH2 2.7Å; D299-R382 PolarHBondContact OD2-NH2 3.02Å; D367-R382 VanDerWaalsContact OD1-CA 3.29Å; D367-R382 WeakPolarHBondContact OD1-CA 3.36Å; Q379-R382 HydrophobicContact CB-CB 4.34Å; Q379-R382 WeakPolarHBondContact O-CB 3.42Å; Q379-R382 WeakPolarHBondContact O-CD 3.41Å; Q379-R382 WeakPolarHBondContact O-CG 3.4Å; Q379-R382 PolarHBondContact O-N 3.01Å; Q379-R382 PolarHBondContact O-NH1 3.49Å; R382-F384 WeakPolarHBondContact CD-O 3.38Å; R382-F384 PolarHBondContact NE-O 2.74Å; R382-R385 HydrophobicContact CG-CG 3.73Å; R382-R385 WeakPolarHBondContact O-CG 3.28Å; R382-R385 PolarHBondContact O-NE 2.97Å
383	S	96.9	Very high	97.3	Very high	63 Å²	63	42.4 Å²	42.4	44%	0.441	22%	0.223	S	C	.	.	S	Bend	trans	-75.9	-39.4	172.1	-62.2	0	0	0	0	111.3	D367 R385	D367-S383 WeakPolarHBondContact OD1-CB 3.48Å; D367-S383 PolarHBondContact OD1-N 3.05Å; S383-R385 VanDerWaalsContact C-N 3.35Å; S383-R385 PolarHBondContact O-N 3.48Å
384	F	98.3	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.			trans	-73.4	86.6	178.2	-165.8	-85.1	0	0	0	111	D299 Q302 F303 Y308 L356 T360 D367 L371 R382 T386 M389	D299-F384 HydrophobicContact CB-CD1 4.43Å; Q302-F384 HydrophobicContact CB-CE1 4.26Å; Q302-F384 HydrophobicContact CB-CZ 4.41Å; F303-F384 HydrophobicContact CB-CD1 4.08Å; F303-F384 HydrophobicContact CB-CE1 3.65Å; F303-F384 HydrophobicContact CB-CZ 4.04Å; F303-F384 HydrophobicContact CD2-CB 4.47Å; F303-F384 AromaticContact CD2-CD1 3.94Å; F303-F384 HydrophobicContact CD2-CD1 3.94Å; F303-F384 HydrophobicContact CD2-CD2 4.09Å; F303-F384 HydrophobicContact CD2-CE1 4.16Å; F303-F384 HydrophobicContact CD2-CE2 4.28Å; F303-F384 AromaticContact CD2-CG 3.9Å; F303-F384 HydrophobicContact CD2-CG 3.9Å; F303-F384 HydrophobicContact CD2-CZ 4.32Å; F303-F384 HydrophobicContact CG-CE1 4.42Å; Y308-F384 AromaticContact CD2-CD2 3.89Å; Y308-F384 HydrophobicContact CD2-CD2 3.89Å; Y308-F384 HydrophobicContact CD2-CE2 4.14Å; Y308-F384 HydrophobicContact CE2-CD2 4.07Å; Y308-F384 HydrophobicContact CE2-CE2 4.44Å; L356-F384 HydrophobicContact CD1-CE2 3.8Å; L356-F384 HydrophobicContact CD1-CZ 3.88Å; L356-F384 HydrophobicContact CD2-CZ 4.17Å; T360-F384 HydrophobicContact CG2-CE2 3.98Å; D367-F384 WeakPolarHBondContact OD2-CB 3.49Å; D367-F384 PolarHBondContact OD2-N 3.12Å; L371-F384 HydrophobicContact CD1-CB 4.44Å; L371-F384 HydrophobicContact CD2-CB 4.17Å; L371-F384 HydrophobicContact CD2-CD1 3.9Å; L371-F384 HydrophobicContact CD2-CG 4.37Å; R382-F384 WeakPolarHBondContact CD-O 3.38Å; R382-F384 PolarHBondContact NE-O 2.74Å; F384-T386 HydrophobicContact CE1-CG2 3.83Å; F384-T386 HydrophobicContact CZ-CG2 4.29Å; F384-M389 HydrophobicContact CD2-CE 4.05Å; F384-M389 HydrophobicContact CD2-SD 4.23Å; F384-M389 HydrophobicContact CE2-CE 4.02Å; F384-M389 HydrophobicContact CG-SD 4.37Å
385	R	98	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	8%	0.075	18%	0.182	C	C	.	.			trans	-125.3	107.2	174.7	-59.1	-163.6	-158.4	-165.5	17.2	111.4	E295 D299 R380 E381 R382 S383 S387 R388 M389	E295-R385 IonicContact OE2-NH1 2.71Å; D299-R385 WeakPolarHBondContact OD2-CA 3.34Å; R380-R385 PolarHBondContact O-NH1 3.16Å; R380-R385 PolarHBondContact O-NH2 3.15Å; E381-R385 IonicContact OE2-NH2 3.91Å; E381-R385 PolarHBondContact OE2-NH2 3.16Å; E381-R385 VanDerWaalsContact OE2-NH2 3.12Å; R382-R385 HydrophobicContact CG-CG 3.73Å; R382-R385 WeakPolarHBondContact O-CG 3.28Å; R382-R385 PolarHBondContact O-NE 2.97Å; S383-R385 VanDerWaalsContact C-N 3.35Å; S383-R385 PolarHBondContact O-N 3.48Å; R385-S387 PolarHBondContact O-N 2.68Å; R385-R388 HydrophobicContact CB-CB 4.41Å; R385-R388 HydrophobicContact CB-CG 4.32Å; R385-R388 PolarHBondContact O-N 3.4Å; R385-M389 PolarHBondContact N-SD 3.3Å; R385-M389 VanDerWaalsContact O-CG 3.27Å; R385-M389 WeakPolarHBondContact O-CG 3.44Å; R385-M389 PolarHBondContact O-N 3.38Å
386	T	97.8	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-20.7	-175	63.1	0	0	0	0	113.6	D299 Q302 F384 R388 L390	D299-T386 VanDerWaalsContact OD1-CB 3.29Å; D299-T386 WeakPolarHBondContact OD1-CB 3.46Å; D299-T386 WeakPolarHBondContact OD1-CG2 3.21Å; D299-T386 PolarHBondContact OD1-N 3.47Å; D299-T386 PolarHBondContact OD1-OG1 2.89Å; Q302-T386 HydrophobicContact CB-CG2 3.58Å; Q302-T386 HydrophobicContact CG-CG2 3.79Å; F384-T386 HydrophobicContact CE1-CG2 3.83Å; F384-T386 HydrophobicContact CZ-CG2 4.29Å; T386-R388 VanDerWaalsContact C-N 3.28Å; T386-R388 PolarHBondContact O-N 3.38Å; T386-L390 HydrophobicContact CG2-CD1 4.24Å; T386-L390 CarbonylContact O-C 3.02Å; T386-L390 WeakPolarHBondContact O-CA 3.46Å; T386-L390 PolarHBondContact O-N 2.81Å
387	S	97	Very high	97.5	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-33.5	169.6	54.9	0	0	0	0	112.9	K38 G41 V49 E295 R385	K38-S387 VanDerWaalsContact O-CB 3.22Å; K38-S387 WeakPolarHBondContact O-CB 3.43Å; K38-S387 PolarHBondContact O-OG 2.73Å; G41-S387 WeakPolarHBondContact O-CA 3.25Å; V49-S387 WeakPolarHBondContact CG1-O 3.35Å; E295-S387 WeakPolarHBondContact OE1-CB 3.38Å; E295-S387 PolarHBondContact OE1-OG 2.78Å; R385-S387 PolarHBondContact O-N 2.68Å
388	R	97.3	Very high	97.6	Very high	153 Å²	153	31.1 Å²	31.1	58%	0.577	15%	0.149	S	C	*	.	H	α-helix	trans	-93.3	-34.1	179	-62.3	-173	178.1	-174.2	0.1	112.9	R385 T386 N415	R385-R388 HydrophobicContact CB-CB 4.41Å; R385-R388 HydrophobicContact CB-CG 4.32Å; R385-R388 PolarHBondContact O-N 3.4Å; T386-R388 VanDerWaalsContact C-N 3.28Å; T386-R388 PolarHBondContact O-N 3.38Å; R388-N415 PolarHBondContact O-ND2 2.99Å
389	M	97.8	Very high	97.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-81.5	-41	-176.1	-62.8	162.1	62.5	0	0	111.9	L356 F365 F384 R385 N415	L356-M389 HydrophobicContact CD1-CE 3.64Å; F365-M389 HydrophobicContact CB-CE 3.94Å; F365-M389 HydrophobicContact CB-CG 4.47Å; F365-M389 HydrophobicContact CB-SD 3.84Å; F365-M389 HydrophobicContact CD1-CG 4.09Å; F365-M389 HydrophobicContact CD1-SD 4.5Å; F365-M389 HydrophobicContact CD2-CE 3.6Å; F365-M389 HydrophobicContact CD2-CG 3.79Å; F365-M389 HydrophobicContact CD2-SD 4.02Å; F365-M389 HydrophobicContact CE1-CG 4.27Å; F365-M389 HydrophobicContact CE2-CE 4.4Å; F365-M389 HydrophobicContact CE2-CG 3.97Å; F365-M389 HydrophobicContact CG-CE 3.97Å; F365-M389 HydrophobicContact CG-CG 3.85Å; F365-M389 HydrophobicContact CG-SD 3.87Å; F365-M389 HydrophobicContact CZ-CG 4.21Å; F384-M389 HydrophobicContact CD2-CE 4.05Å; F384-M389 HydrophobicContact CD2-SD 4.23Å; F384-M389 HydrophobicContact CE2-CE 4.02Å; F384-M389 HydrophobicContact CG-SD 4.37Å; R385-M389 PolarHBondContact N-SD 3.3Å; R385-M389 VanDerWaalsContact O-CG 3.27Å; R385-M389 WeakPolarHBondContact O-CG 3.44Å; R385-M389 PolarHBondContact O-N 3.38Å; M389-N415 PolarHBondContact O-ND2 3.42Å; M389-N415 VanDerWaalsContact O-ND2 3.13Å
390	L	98.3	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.119	C	C	.	.			trans	-134	52.5	-164.1	-55.5	167.1	0	0	0	112.8	T42 R82 A352 L355 L356 L359 T386	T42-L390 WeakPolarHBondContact CA-O 3.45Å; T42-L390 HydrophobicContact CG2-CB 4.14Å; T42-L390 HydrophobicContact CG2-CD1 4.24Å; R82-L390 PolarHBondContact NH1-O 2.93Å; A352-L390 HydrophobicContact CB-CD1 4.4Å; L355-L390 HydrophobicContact CB-CD2 4.15Å; L355-L390 HydrophobicContact CD2-CD2 3.86Å; L355-L390 HydrophobicContact CG-CD2 3.99Å; L356-L390 HydrophobicContact CB-CD1 3.65Å; L356-L390 HydrophobicContact CB-CD2 4.27Å; L356-L390 HydrophobicContact CD1-CD1 4.04Å; L356-L390 HydrophobicContact CD2-CD1 3.83Å; L356-L390 HydrophobicContact CG-CD1 4.03Å; L359-L390 HydrophobicContact CD1-CD2 4.24Å; T386-L390 HydrophobicContact CG2-CD1 4.24Å; T386-L390 CarbonylContact O-C 3.02Å; T386-L390 WeakPolarHBondContact O-CA 3.46Å; T386-L390 PolarHBondContact O-N 2.81Å
391	P	98.3	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.			trans	-62.1	175.1	164	31.3	-38.5	0	0	0	111.3	R45 Y46 V49 R82 A394	R45-P391 WeakPolarHBondContact O-CB 3.34Å; Y46-P391 HydrophobicContact CD2-CG 3.94Å; V49-P391 HydrophobicContact CB-CG 4.44Å; V49-P391 HydrophobicContact CG1-CB 4.37Å; V49-P391 HydrophobicContact CG1-CG 3.84Å; V49-P391 HydrophobicContact CG2-CG 3.68Å; R82-P391 WeakPolarHBondContact CD-O 2.97Å; R82-P391 PolarHBondContact NH1-O 3.16Å; P391-A394 HydrophobicContact CG-CB 4.18Å; P391-A394 WeakPolarHBondContact O-CB 3.44Å; P391-A394 PolarHBondContact O-N 3.06Å
392	Y	98.8	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	146.9	166.1	-71.3	-60.4	0	0	0	110.7	G44 Y46 H83 G84 T85 R86 Y271 A274 A394	G44-Y392 WeakPolarHBondContact O-CD2 3.43Å; G44-Y392 PolarHBondContact O-N 3.1Å; Y46-Y392 WeakPolarHBondContact CB-O 3.22Å; Y46-Y392 VanDerWaalsContact CD2-O 3.27Å; Y46-Y392 WeakPolarHBondContact CD2-O 3.32Å; H83-Y392 AromaticContact CE1-CE1 3.93Å; G84-Y392 WeakPolarHBondContact O-CD1 3.21Å; T85-Y392 HydrophobicContact CG2-CD2 3.97Å; T85-Y392 HydrophobicContact CG2-CE2 4.05Å; T85-Y392 WeakPolarHBondContact OG1-CD2 3.46Å; R86-Y392 HydrophobicContact CG-CE1 3.74Å; Y271-Y392 WeakPolarHBondContact CE1-OH 3.46Å; A274-Y392 HydrophobicContact CB-CD2 4.42Å; A274-Y392 HydrophobicContact CB-CE2 4.17Å; Y392-A394 PolarHBondContact O-N 3.33Å; Y392-A394 VanDerWaalsContact O-N 3.11Å
393	A	98.8	Very high	97.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	14.3	-173.8	0	0	0	0	0	116	Y46 R82 H83 D140 L141 N395	Y46-A393 HydrophobicContact CD2-CB 4.27Å; Y46-A393 WeakPolarHBondContact CE2-O 3.46Å; R82-A393 WeakPolarHBondContact O-CA 3.23Å; H83-A393 PolarHBondContact O-N 2.89Å; H83-A393 VanDerWaalsContact O-N 3.15Å; D140-A393 HydrophobicContact CB-CB 3.93Å; L141-A393 HydrophobicContact CD2-CB 4.24Å; A393-N395 PolarHBondContact O-ND2 3.39Å
394	A	98.9	Very high	97.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.			trans	-51.2	143.2	171.2	0	0	0	0	0	111.8	R82 L355 P391 Y392 N415	R82-A394 HydrophobicContact CB-CB 4.28Å; R82-A394 WeakPolarHBondContact CB-O 3.13Å; R82-A394 PolarHBondContact N-O 3.38Å; L355-A394 HydrophobicContact CD2-CB 3.93Å; P391-A394 HydrophobicContact CG-CB 4.18Å; P391-A394 WeakPolarHBondContact O-CB 3.44Å; P391-A394 PolarHBondContact O-N 3.06Å; Y392-A394 PolarHBondContact O-N 3.33Å; Y392-A394 VanDerWaalsContact O-N 3.11Å; A394-N415 WeakPolarHBondContact CA-OD1 3.29Å; A394-N415 WeakPolarHBondContact CB-OD1 3.44Å
395	N	98.9	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.9	-174.3	55.3	84.6	0	0	0	112.5	Y46 I80 I81 A393 V397 V414 N415 E416	Y46-N395 PolarHBondContact OH-ND2 3.48Å; I80-N395 CarbonylContact O-C 3.52Å; I80-N395 VanDerWaalsContact O-CA 3.26Å; I80-N395 WeakPolarHBondContact O-CA 3.4Å; I81-N395 HydrophobicContact CG1-CB 4.07Å; A393-N395 PolarHBondContact O-ND2 3.39Å; N395-V397 HydrophobicContact CB-CG2 4.49Å; N395-V414 WeakPolarHBondContact O-CA 3.47Å; N395-N415 PolarHBondContact N-OD1 2.98Å; N395-N415 PolarHBondContact O-N 3.48Å; N395-E416 PolarHBondContact OD1-N 2.92Å
396	L	98.9	Very high	95.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	159.8	173.4	66.1	0	0	0	107.2	I80 L355 L358 L359 L362 L398 L413 V414	I80-L396 HydrophobicContact CD1-CD2 4.22Å; I80-L396 HydrophobicContact CD1-CG 4.43Å; I80-L396 PolarHBondContact N-O 2.98Å; I80-L396 PolarHBondContact O-N 3.1Å; L355-L396 HydrophobicContact CD1-CB 3.67Å; L358-L396 HydrophobicContact CD2-CD2 3.93Å; L358-L396 HydrophobicContact CG-CD2 4.4Å; L359-L396 HydrophobicContact CD2-CB 4.35Å; L359-L396 HydrophobicContact CD2-CD1 4.19Å; L359-L396 HydrophobicContact CD2-CD2 4.17Å; L359-L396 HydrophobicContact CD2-CG 4.48Å; L362-L396 HydrophobicContact CD1-CD2 3.92Å; L396-L398 HydrophobicContact CD1-CD2 4.34Å; L396-L398 HydrophobicContact CG-CG 4.34Å; L396-L413 CarbonylContact C-O 3.53Å; L396-L413 WeakPolarHBondContact CA-O 3.34Å; L396-V414 HydrophobicContact CD1-CG2 3.91Å
397	V	98.8	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.9	175.6	-176.8	0	0	0	0	108.6	L77 T78 A79 L148 F152 N395 V399 P412 L413	L77-V397 HydrophobicContact CD1-CG1 3.91Å; L77-V397 HydrophobicContact CD2-CG1 3.98Å; L77-V397 HydrophobicContact CG-CG1 3.83Å; T78-V397 CarbonylContact O-C 3.56Å; T78-V397 WeakPolarHBondContact O-CA 3.02Å; A79-V397 HydrophobicContact CB-CG2 4.09Å; L148-V397 HydrophobicContact CD1-CG2 4.43Å; L148-V397 HydrophobicContact CD2-CG2 4.14Å; F152-V397 HydrophobicContact CE2-CG1 4.39Å; N395-V397 HydrophobicContact CB-CG2 4.49Å; V397-V399 HydrophobicContact CG1-CG2 3.74Å; V397-P412 CarbonylContact O-C 3.46Å; V397-P412 WeakPolarHBondContact O-CA 3.2Å; V397-L413 HydrophobicContact CB-CB 4.28Å; V397-L413 HydrophobicContact CB-CD1 4.46Å; V397-L413 PolarHBondContact N-O 3.46Å; V397-L413 PolarHBondContact O-N 2.95Å
398	L	98.6	Very high	95.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.3	178	-67.5	174.9	0	0	0	107.9	L77 T78 V324 L396 L410 P412 F421	L77-L398 WeakPolarHBondContact CA-O 3.3Å; T78-L398 PolarHBondContact N-O 3.38Å; T78-L398 PolarHBondContact O-N 3.04Å; V324-L398 HydrophobicContact CG1-CD1 3.35Å; L396-L398 HydrophobicContact CD1-CD2 4.34Å; L396-L398 HydrophobicContact CG-CG 4.34Å; L398-L410 HydrophobicContact CB-CD1 4.25Å; L398-P412 HydrophobicContact CD2-CB 3.72Å; L398-F421 HydrophobicContact CD2-CE1 4.46Å; L398-F421 HydrophobicContact CD2-CZ 3.9Å
399	V	98.1	Very high	95.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.8	-175.8	-167.5	0	0	0	0	109.9	E74 L77 F152 V397 F401 L410 Q411 L413	E74-V399 HydrophobicContact CB-CG1 4.23Å; E74-V399 HydrophobicContact CG-CG1 3.9Å; L77-V399 HydrophobicContact CD1-CG2 3.78Å; L77-V399 HydrophobicContact CG-CG2 4.04Å; F152-V399 HydrophobicContact CD1-CG1 4.32Å; F152-V399 HydrophobicContact CE1-CB 4.45Å; F152-V399 HydrophobicContact CE1-CG1 4.16Å; F152-V399 HydrophobicContact CE1-CG2 3.87Å; F152-V399 HydrophobicContact CE2-CG2 4.05Å; F152-V399 HydrophobicContact CZ-CG2 3.61Å; V397-V399 HydrophobicContact CG1-CG2 3.74Å; V399-F401 HydrophobicContact CB-CD2 4.36Å; V399-F401 HydrophobicContact CB-CE2 3.71Å; V399-F401 HydrophobicContact CB-CZ 4.41Å; V399-F401 HydrophobicContact CG1-CD2 4.07Å; V399-F401 HydrophobicContact CG1-CE2 3.47Å; V399-F401 VanDerWaalsContact CG1-CE2 3.47Å; V399-F401 HydrophobicContact CG1-CZ 3.82Å; V399-L410 WeakPolarHBondContact O-CA 3.44Å; V399-Q411 PolarHBondContact N-O 2.02Å; V399-Q411 PolarHBondContact O-N 2.88Å; V399-L413 HydrophobicContact CG2-CD1 4.12Å
400	L	97.4	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134	171.5	-79.3	168.7	0	0	0	110.3	E74 I75 H76 L328 A331 V332 I408 R409 L410 Y434	E74-L400 WeakPolarHBondContact CA-O 3.22Å; I75-L400 HydrophobicContact CD1-CB 3.95Å; I75-L400 HydrophobicContact CG1-CB 3.48Å; I75-L400 VanDerWaalsContact CG1-CB 3.48Å; I75-L400 PolarHBondContact N-O 2.93Å; H76-L400 HydrophobicContact CB-CB 4.27Å; H76-L400 HydrophobicContact CB-CD1 4.07Å; H76-L400 PolarHBondContact O-N 3.01Å; L328-L400 HydrophobicContact CB-CD1 3.91Å; L328-L400 HydrophobicContact CD2-CD1 3.42Å; L328-L400 VanDerWaalsContact CD2-CD1 3.42Å; L328-L400 HydrophobicContact CD2-CD2 4.37Å; L328-L400 HydrophobicContact CD2-CG 3.59Å; L328-L400 HydrophobicContact CG-CD1 4.27Å; A331-L400 HydrophobicContact CB-CD1 4.37Å; V332-L400 HydrophobicContact CG2-CD1 3.86Å; V332-L400 HydrophobicContact CG2-CD2 4.33Å; L400-I408 HydrophobicContact CD2-CG2 3.82Å; L400-R409 CarbonylContact C-O 3.57Å; L400-R409 WeakPolarHBondContact CA-O 3.43Å; L400-L410 HydrophobicContact CD2-CB 4.27Å; L400-L410 HydrophobicContact CD2-CD1 3.8Å; L400-L410 HydrophobicContact CG-CD1 3.91Å; L400-Y434 HydrophobicContact CD2-CD1 4.25Å; L400-Y434 HydrophobicContact CD2-CD2 4.06Å; L400-Y434 HydrophobicContact CD2-CG 3.89Å
401	F	96.1	Very high	95.3	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.3	174.7	-70.4	-96.5	0	0	0	110.6	C72 R73 E74 F152 V399 I408 R409 Q411 M431	C72-F401 HydrophobicContact CB-CB 4.44Å; C72-F401 HydrophobicContact CB-CD1 4.1Å; R73-F401 CarbonylContact O-C 3.47Å; R73-F401 VanDerWaalsContact O-CA 3.24Å; R73-F401 WeakPolarHBondContact O-CA 3.41Å; E74-F401 HydrophobicContact CG-CD1 4.16Å; E74-F401 HydrophobicContact CG-CE1 3.54Å; E74-F401 HydrophobicContact CG-CZ 3.83Å; F152-F401 HydrophobicContact CE1-CZ 4.34Å; V399-F401 HydrophobicContact CB-CD2 4.36Å; V399-F401 HydrophobicContact CB-CE2 3.71Å; V399-F401 HydrophobicContact CB-CZ 4.41Å; V399-F401 HydrophobicContact CG1-CD2 4.07Å; V399-F401 HydrophobicContact CG1-CE2 3.47Å; V399-F401 VanDerWaalsContact CG1-CE2 3.47Å; V399-F401 HydrophobicContact CG1-CZ 3.82Å; F401-I408 WeakPolarHBondContact O-CA 3.38Å; F401-R409 PolarHBondContact N-O 3.26Å; F401-R409 PolarHBondContact O-N 3.17Å; F401-Q411 HydrophobicContact CD2-CB 4.4Å; F401-Q411 HydrophobicContact CE2-CB 3.91Å; F401-M431 HydrophobicContact CB-SD 4.06Å; F401-M431 HydrophobicContact CD1-SD 4.5Å; F401-M431 HydrophobicContact CD2-CE 3.69Å; F401-M431 HydrophobicContact CD2-CG 4.43Å; F401-M431 HydrophobicContact CD2-SD 3.55Å; F401-M431 VanDerWaalsContact CD2-SD 3.55Å; F401-M431 HydrophobicContact CE1-CE 4.4Å; F401-M431 HydrophobicContact CE2-CE 3.53Å; F401-M431 HydrophobicContact CE2-SD 4.07Å; F401-M431 HydrophobicContact CG-CE 4.19Å; F401-M431 HydrophobicContact CG-SD 3.8Å; F401-M431 HydrophobicContact CZ-CE 3.92Å
402	D	95.3	Very high	95.3	Very high	39 Å²	39	22.3 Å²	22.3	21%	0.209	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.8	160.5	176.4	13.7	0	0	0	108.9	C72 R73 I75 H335 G404 I408	C72-D402 CarbonylContact C-O 3.59Å; C72-D402 VanDerWaalsContact CA-O 3.24Å; C72-D402 WeakPolarHBondContact CA-O 3.25Å; R73-D402 PolarHBondContact N-O 3.21Å; R73-D402 PolarHBondContact O-N 3.32Å; I75-D402 HydrophobicContact CG2-CB 3.82Å; H335-D402 IonicContact CD2-OD2 3.84Å; H335-D402 IonicContact CE1-OD2 3.24Å; H335-D402 PolarHBondContact CE1-OD2 2.7Å; H335-D402 IonicContact NE2-OD2 2.79Å; H335-D402 PolarHBondContact NE2-OD2 2.78Å; D402-G404 WeakPolarHBondContact OD1-CA 3.46Å; D402-G404 PolarHBondContact OD1-N 3.1Å; D402-I408 HydrophobicContact CB-CD1 3.95Å
403	C	93.9	Very high	95.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	13%	0.129	C	C	.	.			trans	-102	15.8	178.8	-63.8	0	0	0	0	112.9	Q71 C72 D407	Q71-C403 WeakPolarHBondContact CG-O 3.37Å; Q71-C403 PolarHBondContact NE2-O 3.16Å; C72-C403 HydrophobicContact CB-CB 4.18Å; C72-C403 WeakPolarHBondContact CB-SG 3.48Å; C72-C403 WeakPolarHBondContact SG-CB 3.26Å; C72-C403 CovalentContact SG-SG 2.04Å; C72-C403 PolarHBondContact SG-SG 3.2Å; C403-D407 HydrophobicContact CB-CB 4.07Å; C403-D407 PolarHBondContact N-O 2.91Å
404	G	90.1	Very high	95.2	Very high	31 Å²	31	22.6 Å²	22.6	32%	0.32	13%	0.13	S	C	.	.	S	Bend	trans	86.2	157.8	178.1	0	0	0	0	0	113.2	D402 R406 D407	D402-G404 WeakPolarHBondContact OD1-CA 3.46Å; D402-G404 PolarHBondContact OD1-N 3.1Å; G404-R406 PolarHBondContact O-N 3.35Å; G404-D407 WeakPolarHBondContact O-CB 3.48Å; G404-D407 PolarHBondContact O-N 2.94Å
405	G	82.1	Confident	95.2	Very high	86 Å²	86	23 Å²	23	89%	0.887	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	26.8	176.5	0	0	0	0	0	114.9	D407	G405-D407 PolarHBondContact O-N 3.38Å
406	R	82.1	Confident	95.1	Very high	217 Å²	217	23.3 Å²	23.3	82%	0.819	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	18.8	-171	-53.6	-178.6	176	-179.1	-2	114.6	G404 I408	G404-R406 PolarHBondContact O-N 3.35Å; R406-I408 PolarHBondContact O-N 3.17Å; R406-I408 VanDerWaalsContact O-N 3.07Å
407	D	92.8	Very high	94.9	Very high	42 Å²	42	26.8 Å²	26.8	23%	0.225	15%	0.15	C	C	.	.			trans	-76	87.8	170.1	-173.4	-5.2	0	0	0	109.7	C403 G404 G405 R409 L433	C403-D407 HydrophobicContact CB-CB 4.07Å; C403-D407 PolarHBondContact N-O 2.91Å; G404-D407 WeakPolarHBondContact O-CB 3.48Å; G404-D407 PolarHBondContact O-N 2.94Å; G405-D407 PolarHBondContact O-N 3.38Å; D407-R409 VanDerWaalsContact CG-NE 3.33Å; D407-R409 WeakPolarHBondContact OD1-CD 3.36Å; D407-R409 WeakPolarHBondContact OD1-CG 3.47Å; D407-R409 IonicContact OD1-CZ 3.86Å; D407-R409 IonicContact OD1-NE 3.38Å; D407-R409 PolarHBondContact OD1-NE 3Å; D407-R409 IonicContact OD1-NH2 2.74Å; D407-R409 IonicContact OD2-CZ 3.76Å; D407-R409 IonicContact OD2-NE 3.09Å; D407-R409 PolarHBondContact OD2-NE 2.99Å; D407-R409 IonicContact OD2-NH2 2.8Å; D407-R409 PolarHBondContact OD2-NH2 3.14Å; D407-L433 WeakPolarHBondContact OD1-CD2 3.5Å
408	I	96.1	Very high	94.7	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.082	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	174.4	-56.4	-56.5	0	0	0	109.4	I75 V332 L400 F401 D402 R406 Y434	I75-I408 HydrophobicContact CD1-CD1 4.24Å; V332-I408 HydrophobicContact CG1-CG1 4.43Å; V332-I408 HydrophobicContact CG2-CG2 3.83Å; L400-I408 HydrophobicContact CD2-CG2 3.82Å; F401-I408 WeakPolarHBondContact O-CA 3.38Å; D402-I408 HydrophobicContact CB-CD1 3.95Å; R406-I408 PolarHBondContact O-N 3.17Å; R406-I408 VanDerWaalsContact O-N 3.07Å; I408-Y434 HydrophobicContact CG2-CD1 4.33Å; I408-Y434 HydrophobicContact CG2-CG 4.44Å; I408-Y434 PolarHBondContact O-N 2.78Å
409	R	95.8	Very high	94.5	Very high	26 Å²	26	29.5 Å²	29.5	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.1	-176.9	-53.9	-175.5	164	-109.1	1.3	112.3	L400 F401 D407 E429 M431 P432 L433	L400-R409 CarbonylContact C-O 3.57Å; L400-R409 WeakPolarHBondContact CA-O 3.43Å; F401-R409 PolarHBondContact N-O 3.26Å; F401-R409 PolarHBondContact O-N 3.17Å; D407-R409 VanDerWaalsContact CG-NE 3.33Å; D407-R409 WeakPolarHBondContact OD1-CD 3.36Å; D407-R409 WeakPolarHBondContact OD1-CG 3.47Å; D407-R409 IonicContact OD1-CZ 3.86Å; D407-R409 IonicContact OD1-NE 3.38Å; D407-R409 PolarHBondContact OD1-NE 3Å; D407-R409 IonicContact OD1-NH2 2.74Å; D407-R409 IonicContact OD2-CZ 3.76Å; D407-R409 IonicContact OD2-NE 3.09Å; D407-R409 PolarHBondContact OD2-NE 2.99Å; D407-R409 IonicContact OD2-NH2 2.8Å; D407-R409 PolarHBondContact OD2-NH2 3.14Å; R409-E429 IonicContact CZ-OE2 2.78Å; R409-E429 IonicContact NH1-OE2 2.88Å; R409-E429 PolarHBondContact NH1-OE2 3.22Å; R409-M431 HydrophobicContact CB-CG 3.69Å; R409-M431 HydrophobicContact CB-SD 4.09Å; R409-M431 WeakPolarHBondContact CD-O 3.16Å; R409-M431 PolarHBondContact NH1-O 3.23Å; R409-P432 VanDerWaalsContact CA-O 3.3Å; R409-P432 WeakPolarHBondContact CA-O 3.43Å; R409-P432 WeakPolarHBondContact CB-O 3.41Å; R409-L433 HydrophobicContact CG-CD2 4.31Å
410	L	96.5	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.5	-177.5	-175.3	69	0	0	0	110.8	L328 L398 V399 L400 P412 F421 P432 Y434 V437	L328-L410 HydrophobicContact CD1-CD1 4.29Å; L328-L410 HydrophobicContact CD1-CD2 4.15Å; L328-L410 HydrophobicContact CD2-CD1 3.95Å; L398-L410 HydrophobicContact CB-CD1 4.25Å; V399-L410 WeakPolarHBondContact O-CA 3.44Å; L400-L410 HydrophobicContact CD2-CB 4.27Å; L400-L410 HydrophobicContact CD2-CD1 3.8Å; L400-L410 HydrophobicContact CG-CD1 3.91Å; L410-P412 WeakPolarHBondContact O-CD 3.16Å; L410-F421 HydrophobicContact CB-CE2 4.42Å; L410-F421 HydrophobicContact CD2-CE2 3.77Å; L410-F421 HydrophobicContact CD2-CZ 3.59Å; L410-F421 HydrophobicContact CG-CE2 4.02Å; L410-F421 HydrophobicContact CG-CZ 4.16Å; L410-P432 PolarHBondContact N-O 2.79Å; L410-P432 WeakPolarHBondContact O-CD 3.31Å; L410-Y434 HydrophobicContact CB-CD2 4.2Å; L410-Y434 HydrophobicContact CD2-CD2 4.01Å; L410-Y434 HydrophobicContact CD2-CE2 4.3Å; L410-V437 HydrophobicContact CB-CG2 4.49Å; L410-V437 HydrophobicContact CD2-CG1 4.08Å; L410-V437 HydrophobicContact CD2-CG2 4.42Å
411	Q	95.9	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.9	173.9	-176.7	59.4	72.3	0	0	110.2	V399 F401 L413 S430 M431	V399-Q411 PolarHBondContact N-O 2.02Å; V399-Q411 PolarHBondContact O-N 2.88Å; F401-Q411 HydrophobicContact CD2-CB 4.4Å; F401-Q411 HydrophobicContact CE2-CB 3.91Å; Q411-L413 HydrophobicContact CB-CD1 4.45Å; Q411-L413 HydrophobicContact CG-CD1 3.71Å; Q411-L413 HydrophobicContact CG-CG 4.42Å; Q411-S430 VanDerWaalsContact CD-O 3.27Å; Q411-S430 PolarHBondContact NE2-O 2.7Å; Q411-S430 VanDerWaalsContact OE1-C 3.28Å; Q411-S430 PolarHBondContact OE1-O 3.06Å; Q411-S430 PolarHBondContact OE1-OG 2.99Å; Q411-M431 HydrophobicContact CB-CE 3.93Å; Q411-M431 HydrophobicContact CB-CG 4Å; Q411-M431 HydrophobicContact CG-CE 4.28Å
412	P	97.2	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.3	166.2	34.4	-32.6	0	0	0	110.7	F364 V397 L398 L410 V419 F421 S430	F364-P412 HydrophobicContact CZ-CB 4.16Å; F364-P412 HydrophobicContact CZ-CG 4.38Å; V397-P412 CarbonylContact O-C 3.46Å; V397-P412 WeakPolarHBondContact O-CA 3.2Å; L398-P412 HydrophobicContact CD2-CB 3.72Å; L410-P412 WeakPolarHBondContact O-CD 3.16Å; P412-V419 HydrophobicContact CB-CG2 3.85Å; P412-V419 HydrophobicContact CG-CG2 3.87Å; P412-V419 WeakPolarHBondContact CG-O 3.05Å; P412-V419 PolarHBondContact O-N 3.16Å; P412-F421 HydrophobicContact CB-CE1 4.16Å; P412-F421 HydrophobicContact CB-CE2 4.01Å; P412-F421 HydrophobicContact CB-CZ 3.77Å; P412-F421 VanDerWaalsContact CD-CE2 3.47Å; P412-F421 HydrophobicContact CG-CD1 4.39Å; P412-F421 HydrophobicContact CG-CD2 3.7Å; P412-F421 HydrophobicContact CG-CE1 4.2Å; P412-F421 HydrophobicContact CG-CE2 3.48Å; P412-F421 VanDerWaalsContact CG-CE2 3.48Å; P412-F421 HydrophobicContact CG-CG 4.17Å; P412-F421 HydrophobicContact CG-CZ 3.75Å; P412-S430 WeakPolarHBondContact CD-O 3.44Å
413	L	98	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.3	169.2	-59.8	84.4	0	0	0	109	L65 L151 F152 L396 V397 V399 Q411 Q417	L65-L413 HydrophobicContact CD2-CD1 4.44Å; L65-L413 HydrophobicContact CD2-CD2 3.83Å; L151-L413 HydrophobicContact CD2-CD2 4.02Å; F152-L413 HydrophobicContact CZ-CD1 4.19Å; F152-L413 HydrophobicContact CZ-CD2 4.31Å; L396-L413 CarbonylContact C-O 3.53Å; L396-L413 WeakPolarHBondContact CA-O 3.34Å; V397-L413 HydrophobicContact CB-CB 4.28Å; V397-L413 HydrophobicContact CB-CD1 4.46Å; V397-L413 PolarHBondContact N-O 3.46Å; V397-L413 PolarHBondContact O-N 2.95Å; V399-L413 HydrophobicContact CG2-CD1 4.12Å; Q411-L413 HydrophobicContact CB-CD1 4.45Å; Q411-L413 HydrophobicContact CG-CD1 3.71Å; Q411-L413 HydrophobicContact CG-CG 4.42Å; L413-Q417 CarbonylContact C-O 3.14Å; L413-Q417 WeakPolarHBondContact CA-O 2.99Å
414	V	98.3	Very high	93.7	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.7	168.5	176.3	0	0	0	0	107.9	L359 F365 N395 L396 E416 Q417 V419	L359-V414 HydrophobicContact CD2-CG2 3.86Å; F365-V414 HydrophobicContact CE2-CG1 4.22Å; F365-V414 HydrophobicContact CE2-CG2 4.4Å; F365-V414 HydrophobicContact CZ-CB 4.35Å; F365-V414 HydrophobicContact CZ-CG1 3.98Å; F365-V414 HydrophobicContact CZ-CG2 4.42Å; N395-V414 WeakPolarHBondContact O-CA 3.47Å; L396-V414 HydrophobicContact CD1-CG2 3.91Å; V414-E416 VanDerWaalsContact C-N 3.29Å; V414-E416 PolarHBondContact O-N 3.27Å; V414-Q417 PolarHBondContact N-O 3.42Å; V414-Q417 PolarHBondContact O-N 3.3Å; V414-V419 HydrophobicContact CB-CG1 4.02Å; V414-V419 HydrophobicContact CG2-CG1 4.16Å; V414-V419 HydrophobicContact CG2-CG2 3.93Å
415	N	98.3	Very high	92.9	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	46.8	-177.1	-57.4	-34.5	0	0	0	112.3	Y46 V49 N50 R388 M389 A394 N395 Q417	Y46-N415 HydrophobicContact CE2-CB 4.03Å; Y46-N415 VanDerWaalsContact OH-CA 3.3Å; Y46-N415 WeakPolarHBondContact OH-CA 3.49Å; Y46-N415 PolarHBondContact OH-O 2.86Å; V49-N415 HydrophobicContact CG2-CB 4.15Å; N50-N415 PolarHBondContact ND2-O 3.36Å; R388-N415 PolarHBondContact O-ND2 2.99Å; M389-N415 PolarHBondContact O-ND2 3.42Å; M389-N415 VanDerWaalsContact O-ND2 3.13Å; A394-N415 WeakPolarHBondContact CA-OD1 3.29Å; A394-N415 WeakPolarHBondContact CB-OD1 3.44Å; N395-N415 PolarHBondContact N-OD1 2.98Å; N395-N415 PolarHBondContact O-N 3.48Å; N415-Q417 PolarHBondContact O-N 3.01Å; N415-Q417 VanDerWaalsContact O-N 3.16Å
416	E	97.2	Very high	92.1	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.037	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	9.3	-177	-62.1	166.7	91.3	0	0	115.5	Y46 L144 R147 L148 N395 V414	Y46-E416 WeakPolarHBondContact CE1-OE2 3.49Å; Y46-E416 WeakPolarHBondContact OH-CG 3.36Å; Y46-E416 PolarHBondContact OH-OE2 2.91Å; L144-E416 HydrophobicContact CD1-CG 4Å; L144-E416 WeakPolarHBondContact CD1-OE2 3.48Å; R147-E416 WeakPolarHBondContact CB-OE1 3.35Å; R147-E416 WeakPolarHBondContact CD-OE1 3.17Å; R147-E416 IonicContact CZ-OE1 2.87Å; R147-E416 IonicContact CZ-OE2 3.51Å; R147-E416 IonicContact NE-OE1 3.44Å; R147-E416 PolarHBondContact NE-OE1 3.32Å; R147-E416 IonicContact NE-OE2 2.78Å; R147-E416 PolarHBondContact NE-OE2 2.92Å; R147-E416 VanDerWaalsContact NE-OE2 3.09Å; R147-E416 IonicContact NH2-OE1 3.23Å; R147-E416 IonicContact NH2-OE2 3.78Å; R147-E416 PolarHBondContact NH2-OE2 3.47Å; L148-E416 HydrophobicContact CD2-CG 4.24Å; N395-E416 PolarHBondContact OD1-N 2.92Å; V414-E416 VanDerWaalsContact C-N 3.29Å; V414-E416 PolarHBondContact O-N 3.27Å
417	Q	95.2	Very high	91.2	Very high	73 Å²	73	35.8 Å²	35.8	34%	0.341	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.4	175.2	-60.2	-58.3	-32.6	0	0	110.8	N50 Y52 L413 V414 N415 V419	N50-Q417 PolarHBondContact OD1-NE2 3.32Å; Y52-Q417 PolarHBondContact OH-NE2 2.88Å; L413-Q417 CarbonylContact C-O 3.14Å; L413-Q417 WeakPolarHBondContact CA-O 2.99Å; V414-Q417 PolarHBondContact N-O 3.42Å; V414-Q417 PolarHBondContact O-N 3.3Å; N415-Q417 PolarHBondContact O-N 3.01Å; N415-Q417 VanDerWaalsContact O-N 3.16Å; Q417-V419 PolarHBondContact O-N 3.26Å
418	P	94.9	Very high	89.5	Confident	33 Å²	33	43.3 Å²	43.3	21%	0.214	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	133.6	171.2	-26.5	35.8	0	0	0	111.5	S64 L65	S64-P418 WeakPolarHBondContact O-CG 3.37Å; L65-P418 HydrophobicContact CD2-CG 4.49Å
419	V	94.1	Very high	88.3	Confident	28 Å²	28	46.5 Å²	46.5	17%	0.17	26%	0.255	C	S	.	.			trans	-123.8	166.4	173.1	-63.5	0	0	0	0	109.8	F364 P412 V414 Q417	F364-V419 HydrophobicContact CD1-CG2 4.21Å; F364-V419 HydrophobicContact CE1-CB 4.14Å; F364-V419 HydrophobicContact CE1-CG2 3.45Å; F364-V419 VanDerWaalsContact CE1-CG2 3.45Å; F364-V419 HydrophobicContact CZ-CG2 3.83Å; P412-V419 HydrophobicContact CB-CG2 3.85Å; P412-V419 HydrophobicContact CG-CG2 3.87Å; P412-V419 WeakPolarHBondContact CG-O 3.05Å; P412-V419 PolarHBondContact O-N 3.16Å; V414-V419 HydrophobicContact CB-CG1 4.02Å; V414-V419 HydrophobicContact CG2-CG1 4.16Å; V414-V419 HydrophobicContact CG2-CG2 3.93Å; Q417-V419 PolarHBondContact O-N 3.26Å
420	V	93.3	Very high	87.5	Confident	63 Å²	63	46.1 Å²	46.1	38%	0.382	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-103.9	132.4	177.5	179.3	0	0	0	0	108.5	F364 P422 A425	F364-V420 WeakPolarHBondContact CE1-O 3.38Å; V420-P422 WeakPolarHBondContact O-CD 3.36Å; V420-A425 HydrophobicContact CG1-CB 3.87Å
421	F	94.6	Very high	87.2	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.013	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-60.3	126.7	174.2	-80.6	-68.9	0	0	0	110.2	F364 L398 L410 P412 G423 L424 P432 V437 Y441	F364-F421 HydrophobicContact CE2-CD1 4.38Å; F364-F421 HydrophobicContact CE2-CE1 4.39Å; F364-F421 AromaticContact CZ-CD1 3.77Å; F364-F421 HydrophobicContact CZ-CD1 3.77Å; F364-F421 HydrophobicContact CZ-CE1 4.01Å; L398-F421 HydrophobicContact CD2-CE1 4.46Å; L398-F421 HydrophobicContact CD2-CZ 3.9Å; L410-F421 HydrophobicContact CB-CE2 4.42Å; L410-F421 HydrophobicContact CD2-CE2 3.77Å; L410-F421 HydrophobicContact CD2-CZ 3.59Å; L410-F421 HydrophobicContact CG-CE2 4.02Å; L410-F421 HydrophobicContact CG-CZ 4.16Å; P412-F421 HydrophobicContact CB-CE1 4.16Å; P412-F421 HydrophobicContact CB-CE2 4.01Å; P412-F421 HydrophobicContact CB-CZ 3.77Å; P412-F421 VanDerWaalsContact CD-CE2 3.47Å; P412-F421 HydrophobicContact CG-CD1 4.39Å; P412-F421 HydrophobicContact CG-CD2 3.7Å; P412-F421 HydrophobicContact CG-CE1 4.2Å; P412-F421 HydrophobicContact CG-CE2 3.48Å; P412-F421 VanDerWaalsContact CG-CE2 3.48Å; P412-F421 HydrophobicContact CG-CG 4.17Å; P412-F421 HydrophobicContact CG-CZ 3.75Å; F421-G423 PolarHBondContact O-N 3.18Å; F421-L424 HydrophobicContact CB-CB 4.28Å; F421-L424 HydrophobicContact CB-CD1 3.96Å; F421-L424 HydrophobicContact CB-CG 4.37Å; F421-L424 PolarHBondContact O-N 3.48Å; F421-P432 HydrophobicContact CD2-CG 3.84Å; F421-P432 HydrophobicContact CE2-CG 4.49Å; F421-V437 HydrophobicContact CD1-CG1 4.46Å; F421-V437 HydrophobicContact CD2-CG1 4.33Å; F421-V437 HydrophobicContact CD2-CG2 3.7Å; F421-V437 HydrophobicContact CE1-CG1 4.22Å; F421-V437 HydrophobicContact CE2-CG1 4.07Å; F421-V437 HydrophobicContact CE2-CG2 3.74Å; F421-V437 HydrophobicContact CG-CG2 4.41Å; F421-V437 HydrophobicContact CZ-CG1 4.02Å; F421-V437 HydrophobicContact CZ-CG2 4.5Å; F421-Y441 AromaticContact CD1-CE2 3.83Å; F421-Y441 HydrophobicContact CD1-CE2 3.83Å; F421-Y441 WeakPolarHBondContact CD1-OH 3.47Å; F421-Y441 HydrophobicContact CE1-CE2 4.16Å
422	P	93.3	Very high	87.1	Confident	39 Å²	39	46.4 Å²	46.4	25%	0.253	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	134.2	174.7	-25.9	33.9	0	0	0	111.5	L362 G363 F364 V420 L424	L362-P422 WeakPolarHBondContact O-CG 3.33Å; G363-P422 VanDerWaalsContact O-CG 3.24Å; G363-P422 WeakPolarHBondContact O-CG 3.19Å; F364-P422 HydrophobicContact CD1-CG 3.92Å; F364-P422 HydrophobicContact CE1-CG 4.33Å; F364-P422 HydrophobicContact CG-CG 4.27Å; V420-P422 WeakPolarHBondContact O-CD 3.36Å; P422-L424 VanDerWaalsContact C-N 3.3Å
423	G	91.4	Very high	87	Confident	56 Å²	56	49.4 Å²	49.4	58%	0.577	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-8.3	-175.1	0	0	0	0	0	115.1	F421	F421-G423 PolarHBondContact O-N 3.18Å
424	L	90.8	Very high	86.9	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.063	27%	0.274	C	S	.	.			trans	-113.3	10.4	176.5	-60.8	-179.6	0	0	0	113.3	F421 P422 D426 R427 P432 V437 Q440	F421-L424 HydrophobicContact CB-CB 4.28Å; F421-L424 HydrophobicContact CB-CD1 3.96Å; F421-L424 HydrophobicContact CB-CG 4.37Å; F421-L424 PolarHBondContact O-N 3.48Å; P422-L424 VanDerWaalsContact C-N 3.3Å; L424-D426 PolarHBondContact O-N 2.98Å; L424-R427 PolarHBondContact O-N 3.31Å; L424-P432 HydrophobicContact CD1-CB 4.13Å; L424-P432 HydrophobicContact CD1-CG 4Å; L424-V437 HydrophobicContact CD1-CG2 3.88Å; L424-Q440 HydrophobicContact CD1-CB 4.31Å; L424-Q440 HydrophobicContact CD2-CB 4.3Å; L424-Q440 HydrophobicContact CG-CB 4.31Å; L424-Q440 HydrophobicContact CG-CG 4.3Å
425	A	74	Confident	86.8	Confident	58 Å²	58	54.4 Å²	54.4	48%	0.479	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.6	-26.3	-171.9	0	0	0	0	0	115.3	V420 R427 Q428	V420-A425 HydrophobicContact CG1-CB 3.87Å; A425-R427 PolarHBondContact O-N 3.45Å; A425-Q428 PolarHBondContact O-N 3.33Å; A425-Q428 VanDerWaalsContact O-N 3.17Å
426	D	65.3	Low	86.7	Confident	166 Å²	166	55 Å²	55	89%	0.888	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.8	-8.9	-179.2	-58.6	-26.9	0	0	0	113.2	L424	L424-D426 PolarHBondContact O-N 2.98Å
427	R	62.9	Low	86.7	Confident	115 Å²	115	54.6 Å²	54.6	43%	0.434	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-90.8	-4.9	-179.8	-56.7	-172	-176.3	-164	10.9	113.7	L424 A425 E429 D436	L424-R427 PolarHBondContact O-N 3.31Å; A425-R427 PolarHBondContact O-N 3.45Å; R427-E429 WeakPolarHBondContact O-CG 3.34Å; R427-E429 PolarHBondContact O-N 2.98Å; R427-D436 IonicContact CZ-OD1 2.76Å; R427-D436 IonicContact CZ-OD2 2.83Å; R427-D436 IonicContact NH1-OD1 3.61Å; R427-D436 IonicContact NH1-OD2 3.48Å; R427-D436 PolarHBondContact NH1-OD2 3.44Å; R427-D436 VanDerWaalsContact NH2-CG 3.29Å; R427-D436 IonicContact NH2-OD1 2.7Å; R427-D436 PolarHBondContact NH2-OD1 3.13Å; R427-D436 IonicContact NH2-OD2 3.8Å
428	Q	57.8	Low	86.8	Confident	199 Å²	199	53.3 Å²	53.3	93%	0.93	29%	0.291	S	S	*	.			trans	55.3	11.2	-179.4	-117.7	168.1	-1.1	0	0	115.2	A425	A425-Q428 PolarHBondContact O-N 3.33Å; A425-Q428 VanDerWaalsContact O-N 3.17Å
429	E	69.4	Low	86.9	Confident	83 Å²	83	60.6 Å²	60.6	39%	0.388	31%	0.314	S	S	.	.			trans	-107.2	122.6	-178	-73.8	177.3	-170.8	0	0	109.8	R409 R427 M431	R409-E429 IonicContact CZ-OE2 2.78Å; R409-E429 IonicContact NH1-OE2 2.88Å; R409-E429 PolarHBondContact NH1-OE2 3.22Å; R427-E429 WeakPolarHBondContact O-CG 3.34Å; R427-E429 PolarHBondContact O-N 2.98Å; E429-M431 PolarHBondContact O-N 3.23Å
430	S	79.2	Confident	87.1	Confident	19 Å²	19	63.3 Å²	63.3	13%	0.133	33%	0.325	C	S	.	.	S	Bend	trans	-71.2	-14.8	171.6	64.6	0	0	0	0	112.4	Q411 P412 P432	Q411-S430 VanDerWaalsContact CD-O 3.27Å; Q411-S430 PolarHBondContact NE2-O 2.7Å; Q411-S430 VanDerWaalsContact OE1-C 3.28Å; Q411-S430 PolarHBondContact OE1-O 3.06Å; Q411-S430 PolarHBondContact OE1-OG 2.99Å; P412-S430 WeakPolarHBondContact CD-O 3.44Å; S430-P432 VanDerWaalsContact C-CD 3.5Å; S430-P432 WeakPolarHBondContact O-CD 3.4Å
431	M	90.6	Very high	87.3	Confident	3 Å²	3	61 Å²	61	2%	0.015	31%	0.309	C	S	.	.	S	Bend	trans	-124.8	69.2	-174.3	-161.1	-174.1	-66.7	0	0	111.2	P67 F401 R409 Q411 E429	P67-M431 HydrophobicContact CB-CE 4.11Å; F401-M431 HydrophobicContact CB-SD 4.06Å; F401-M431 HydrophobicContact CD1-SD 4.5Å; F401-M431 HydrophobicContact CD2-CE 3.69Å; F401-M431 HydrophobicContact CD2-CG 4.43Å; F401-M431 HydrophobicContact CD2-SD 3.55Å; F401-M431 VanDerWaalsContact CD2-SD 3.55Å; F401-M431 HydrophobicContact CE1-CE 4.4Å; F401-M431 HydrophobicContact CE2-CE 3.53Å; F401-M431 HydrophobicContact CE2-SD 4.07Å; F401-M431 HydrophobicContact CG-CE 4.19Å; F401-M431 HydrophobicContact CG-SD 3.8Å; F401-M431 HydrophobicContact CZ-CE 3.92Å; R409-M431 HydrophobicContact CB-CG 3.69Å; R409-M431 HydrophobicContact CB-SD 4.09Å; R409-M431 WeakPolarHBondContact CD-O 3.16Å; R409-M431 PolarHBondContact NH1-O 3.23Å; Q411-M431 HydrophobicContact CB-CE 3.93Å; Q411-M431 HydrophobicContact CB-CG 4Å; Q411-M431 HydrophobicContact CG-CE 4.28Å; E429-M431 PolarHBondContact O-N 3.23Å
432	P	93.5	Very high	87.4	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.013	32%	0.322	C	S	.	.			trans	-66.7	164.4	179.7	29.2	-36.7	0	0	0	112.4	R409 L410 F421 L424 S430 Y434 V437	R409-P432 VanDerWaalsContact CA-O 3.3Å; R409-P432 WeakPolarHBondContact CA-O 3.43Å; R409-P432 WeakPolarHBondContact CB-O 3.41Å; L410-P432 PolarHBondContact N-O 2.79Å; L410-P432 WeakPolarHBondContact O-CD 3.31Å; F421-P432 HydrophobicContact CD2-CG 3.84Å; F421-P432 HydrophobicContact CE2-CG 4.49Å; L424-P432 HydrophobicContact CD1-CB 4.13Å; L424-P432 HydrophobicContact CD1-CG 4Å; S430-P432 VanDerWaalsContact C-CD 3.5Å; S430-P432 WeakPolarHBondContact O-CD 3.4Å; P432-Y434 PolarHBondContact O-N 2.94Å; P432-V437 HydrophobicContact CB-CG2 4.39Å; P432-V437 HydrophobicContact CG-CG2 3.69Å
433	L	94.7	Very high	87.6	Confident	63 Å²	63	69.2 Å²	69.2	33%	0.33	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-56.2	135.3	169.4	-65.7	173.2	0	0	0	110	D407 R409 E435 D436 V437	D407-L433 WeakPolarHBondContact OD1-CD2 3.5Å; R409-L433 HydrophobicContact CG-CD2 4.31Å; L433-E435 PolarHBondContact O-N 2.88Å; L433-D436 HydrophobicContact CB-CB 4.33Å; L433-D436 WeakPolarHBondContact CB-OD2 3.39Å; L433-D436 WeakPolarHBondContact CD1-OD2 3.48Å; L433-D436 WeakPolarHBondContact O-CB 3.49Å; L433-D436 PolarHBondContact O-N 3.35Å; L433-V437 PolarHBondContact O-N 3.34Å
434	Y	96.6	Very high	87.9	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-36.6	-179.9	177.7	-129.5	0	0	0	111.8	F325 L328 D329 V332 L400 I408 L410 P432 D436 V437 K438	F325-Y434 HydrophobicContact CD1-CE2 4.11Å; F325-Y434 HydrophobicContact CE1-CE2 4.07Å; L328-Y434 HydrophobicContact CB-CE1 4.46Å; L328-Y434 HydrophobicContact CB-CE2 4Å; L328-Y434 VanDerWaalsContact CB-OH 3.27Å; L328-Y434 WeakPolarHBondContact CB-OH 3.43Å; L328-Y434 HydrophobicContact CD1-CE2 3.94Å; D329-Y434 PolarHBondContact N-OH 2.86Å; D329-Y434 VanDerWaalsContact OD1-CE1 3.24Å; D329-Y434 WeakPolarHBondContact OD1-CE1 3.27Å; D329-Y434 VanDerWaalsContact OD1-CZ 3.32Å; D329-Y434 PolarHBondContact OD1-OH 3.26Å; V332-Y434 HydrophobicContact CG2-CD1 3.92Å; V332-Y434 HydrophobicContact CG2-CE1 3.97Å; L400-Y434 HydrophobicContact CD2-CD1 4.25Å; L400-Y434 HydrophobicContact CD2-CD2 4.06Å; L400-Y434 HydrophobicContact CD2-CG 3.89Å; I408-Y434 HydrophobicContact CG2-CD1 4.33Å; I408-Y434 HydrophobicContact CG2-CG 4.44Å; I408-Y434 PolarHBondContact O-N 2.78Å; L410-Y434 HydrophobicContact CB-CD2 4.2Å; L410-Y434 HydrophobicContact CD2-CD2 4.01Å; L410-Y434 HydrophobicContact CD2-CE2 4.3Å; P432-Y434 PolarHBondContact O-N 2.94Å; Y434-D436 VanDerWaalsContact C-N 3.32Å; Y434-D436 PolarHBondContact O-N 3.14Å; Y434-V437 WeakPolarHBondContact O-CB 3.33Å; Y434-V437 PolarHBondContact O-N 3.35Å; Y434-V437 VanDerWaalsContact O-N 3.17Å; Y434-K438 HydrophobicContact CD1-CD 4.19Å; Y434-K438 HydrophobicContact CD2-CG 4.43Å; Y434-K438 HydrophobicContact CE1-CD 3.7Å; Y434-K438 HydrophobicContact CE1-CG 4.33Å; Y434-K438 HydrophobicContact CE2-CD 4.27Å; Y434-K438 HydrophobicContact CE2-CG 4Å; Y434-K438 WeakPolarHBondContact O-CG 3.33Å; Y434-K438 PolarHBondContact O-N 3.13Å
435	E	96.1	Very high	88.2	Confident	110 Å²	110	69.3 Å²	69.3	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-32.3	175	-70.9	-58.4	137.9	0	0	113.6	L433 K438 R439	L433-E435 PolarHBondContact O-N 2.88Å; E435-K438 PolarHBondContact O-N 3.41Å; E435-R439 WeakPolarHBondContact O-CB 3.4Å; E435-R439 PolarHBondContact O-N 2.92Å
436	D	95.9	Very high	89.2	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-71.4	-36	174	-73.9	-57.8	0	0	0	111.7	R427 L433 Y434 R439 Q440	R427-D436 IonicContact CZ-OD1 2.76Å; R427-D436 IonicContact CZ-OD2 2.83Å; R427-D436 IonicContact NH1-OD1 3.61Å; R427-D436 IonicContact NH1-OD2 3.48Å; R427-D436 PolarHBondContact NH1-OD2 3.44Å; R427-D436 VanDerWaalsContact NH2-CG 3.29Å; R427-D436 IonicContact NH2-OD1 2.7Å; R427-D436 PolarHBondContact NH2-OD1 3.13Å; R427-D436 IonicContact NH2-OD2 3.8Å; L433-D436 HydrophobicContact CB-CB 4.33Å; L433-D436 WeakPolarHBondContact CB-OD2 3.39Å; L433-D436 WeakPolarHBondContact CD1-OD2 3.48Å; L433-D436 WeakPolarHBondContact O-CB 3.49Å; L433-D436 PolarHBondContact O-N 3.35Å; Y434-D436 VanDerWaalsContact C-N 3.32Å; Y434-D436 PolarHBondContact O-N 3.14Å; D436-R439 PolarHBondContact O-N 3.04Å; D436-Q440 WeakPolarHBondContact O-CB 3.32Å; D436-Q440 PolarHBondContact O-N 3.14Å
437	V	97	Very high	90.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-45.1	171.4	-178	0	0	0	0	110.4	F325 L410 F421 L424 P432 L433 Y434 R439 Q440 Y441	F325-V437 HydrophobicContact CE1-CG1 4.13Å; F325-V437 HydrophobicContact CZ-CG1 3.99Å; L410-V437 HydrophobicContact CB-CG2 4.49Å; L410-V437 HydrophobicContact CD2-CG1 4.08Å; L410-V437 HydrophobicContact CD2-CG2 4.42Å; F421-V437 HydrophobicContact CD1-CG1 4.46Å; F421-V437 HydrophobicContact CD2-CG1 4.33Å; F421-V437 HydrophobicContact CD2-CG2 3.7Å; F421-V437 HydrophobicContact CE1-CG1 4.22Å; F421-V437 HydrophobicContact CE2-CG1 4.07Å; F421-V437 HydrophobicContact CE2-CG2 3.74Å; F421-V437 HydrophobicContact CG-CG2 4.41Å; F421-V437 HydrophobicContact CZ-CG1 4.02Å; F421-V437 HydrophobicContact CZ-CG2 4.5Å; L424-V437 HydrophobicContact CD1-CG2 3.88Å; P432-V437 HydrophobicContact CB-CG2 4.39Å; P432-V437 HydrophobicContact CG-CG2 3.69Å; L433-V437 PolarHBondContact O-N 3.34Å; Y434-V437 WeakPolarHBondContact O-CB 3.33Å; Y434-V437 PolarHBondContact O-N 3.35Å; Y434-V437 VanDerWaalsContact O-N 3.17Å; V437-R439 VanDerWaalsContact C-N 3.32Å; V437-R439 PolarHBondContact O-N 2.95Å; V437-Q440 WeakPolarHBondContact O-CB 3.47Å; V437-Q440 PolarHBondContact O-N 3.43Å; V437-Y441 HydrophobicContact CG1-CD2 3.74Å; V437-Y441 HydrophobicContact CG1-CE2 3.77Å; V437-Y441 VanDerWaalsContact O-CD2 3.23Å; V437-Y441 WeakPolarHBondContact O-CD2 3.42Å; V437-Y441 PolarHBondContact O-N 2.91Å; V437-Y441 VanDerWaalsContact O-N 3.09Å
438	K	97.9	Very high	91.8	Very high	47 Å²	47	63 Å²	63	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-42.1	175.6	-70	179.2	69.5	161.1	0	111.9	F325 D329 Y434 E435 Y441 A442 L445	F325-K438 HydrophobicContact CD1-CG 4.41Å; F325-K438 HydrophobicContact CE1-CG 4.33Å; D329-K438 VanDerWaalsContact CG-NZ 3.31Å; D329-K438 IonicContact OD1-NZ 3.52Å; D329-K438 PolarHBondContact OD1-NZ 2.65Å; D329-K438 IonicContact OD2-NZ 3.69Å; D329-K438 PolarHBondContact OD2-NZ 2.98Å; D329-K438 VanDerWaalsContact OD2-NZ 3.14Å; Y434-K438 HydrophobicContact CD1-CD 4.19Å; Y434-K438 HydrophobicContact CD2-CG 4.43Å; Y434-K438 HydrophobicContact CE1-CD 3.7Å; Y434-K438 HydrophobicContact CE1-CG 4.33Å; Y434-K438 HydrophobicContact CE2-CD 4.27Å; Y434-K438 HydrophobicContact CE2-CG 4Å; Y434-K438 WeakPolarHBondContact O-CG 3.33Å; Y434-K438 PolarHBondContact O-N 3.13Å; E435-K438 PolarHBondContact O-N 3.41Å; K438-Y441 CarbonylContact O-C 3.59Å; K438-Y441 PolarHBondContact O-N 3.13Å; K438-A442 WeakPolarHBondContact O-CA 3.49Å; K438-A442 PolarHBondContact O-N 3.05Å; K438-L445 HydrophobicContact CB-CD1 4.03Å; K438-L445 HydrophobicContact CG-CD1 4.21Å; K438-L445 WeakPolarHBondContact O-CD1 3.46Å
439	R	97.4	Very high	93.6	Very high	186 Å²	186	57 Å²	57	70%	0.702	29%	0.292	S	S	*	.	H	α-helix	trans	-62.9	-43.7	175.7	-166.7	-172.4	-49	-123.9	-2.6	111.8	E435 D436 V437 Y441 A442	E435-R439 WeakPolarHBondContact O-CB 3.4Å; E435-R439 PolarHBondContact O-N 2.92Å; D436-R439 PolarHBondContact O-N 3.04Å; V437-R439 VanDerWaalsContact C-N 3.32Å; V437-R439 PolarHBondContact O-N 2.95Å; R439-Y441 PolarHBondContact O-N 3.08Å; R439-A442 WeakPolarHBondContact O-CB 3.31Å; R439-A442 PolarHBondContact O-N 3.14Å
440	Q	96.7	Very high	94.8	Very high	85 Å²	85	54 Å²	54	40%	0.397	28%	0.277	S	S	.	.	H	α-helix	trans	-58.9	-36	177.8	-179.9	57.3	32.6	0	0	112	L424 D436 V437	L424-Q440 HydrophobicContact CD1-CB 4.31Å; L424-Q440 HydrophobicContact CD2-CB 4.3Å; L424-Q440 HydrophobicContact CG-CB 4.31Å; L424-Q440 HydrophobicContact CG-CG 4.3Å; D436-Q440 WeakPolarHBondContact O-CB 3.32Å; D436-Q440 PolarHBondContact O-N 3.14Å; V437-Q440 WeakPolarHBondContact O-CB 3.47Å; V437-Q440 PolarHBondContact O-N 3.43Å
441	Y	97.9	Very high	95.5	Very high	14 Å²	14	57.7 Å²	57.7	6%	0.055	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	20.5	-179.7	-58.4	-66.4	0	0	0	113.8	F321 F325 L362 F421 V437 K438 R439 E443 L444 L445	F321-Y441 HydrophobicContact CE2-CG 4.35Å; F321-Y441 HydrophobicContact CZ-CG 4.46Å; F325-Y441 AromaticContact CZ-CD2 4Å; F325-Y441 HydrophobicContact CZ-CD2 4Å; L362-Y441 HydrophobicContact CB-CE1 4.45Å; L362-Y441 HydrophobicContact CD2-CD1 4.47Å; L362-Y441 HydrophobicContact CD2-CD2 4.38Å; L362-Y441 HydrophobicContact CD2-CE1 4.07Å; L362-Y441 HydrophobicContact CD2-CE2 3.97Å; L362-Y441 WeakPolarHBondContact O-CE1 3.49Å; L362-Y441 PolarHBondContact O-OH 3.13Å; F421-Y441 AromaticContact CD1-CE2 3.83Å; F421-Y441 HydrophobicContact CD1-CE2 3.83Å; F421-Y441 WeakPolarHBondContact CD1-OH 3.47Å; F421-Y441 HydrophobicContact CE1-CE2 4.16Å; V437-Y441 HydrophobicContact CG1-CD2 3.74Å; V437-Y441 HydrophobicContact CG1-CE2 3.77Å; V437-Y441 VanDerWaalsContact O-CD2 3.23Å; V437-Y441 WeakPolarHBondContact O-CD2 3.42Å; V437-Y441 PolarHBondContact O-N 2.91Å; V437-Y441 VanDerWaalsContact O-N 3.09Å; K438-Y441 CarbonylContact O-C 3.59Å; K438-Y441 PolarHBondContact O-N 3.13Å; R439-Y441 PolarHBondContact O-N 3.08Å; Y441-E443 VanDerWaalsContact C-N 3.3Å; Y441-E443 PolarHBondContact O-N 2.99Å; Y441-L444 HydrophobicContact CD1-CD1 4.08Å; Y441-L444 PolarHBondContact O-N 2.92Å; Y441-L445 WeakPolarHBondContact O-CG 3.48Å; Y441-L445 PolarHBondContact O-N 3.36Å
442	A	97.9	Very high	95.7	Very high	34 Å²	34	62.6 Å²	62.6	28%	0.281	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-37.4	-172.8	0	0	0	0	0	113.2	K438 R439 L444 L445 N446	K438-A442 WeakPolarHBondContact O-CA 3.49Å; K438-A442 PolarHBondContact O-N 3.05Å; R439-A442 WeakPolarHBondContact O-CB 3.31Å; R439-A442 PolarHBondContact O-N 3.14Å; A442-L444 VanDerWaalsContact C-N 3.33Å; A442-L444 PolarHBondContact O-N 2.98Å; A442-L445 PolarHBondContact O-N 2.98Å; A442-N446 WeakPolarHBondContact O-CB 3.33Å; A442-N446 VanDerWaalsContact O-CG 3.28Å; A442-N446 PolarHBondContact O-N 2.66Å; A442-N446 PolarHBondContact O-ND2 3.19Å
443	E	96.9	Very high	95.8	Very high	181 Å²	181	63.9 Å²	63.9	85%	0.846	33%	0.33	S	S	*	.	H	α-helix	trans	-62.7	-40.2	176.6	-65.2	-173.3	167.3	0	0	111.9	Y441 G447	Y441-E443 VanDerWaalsContact C-N 3.3Å; Y441-E443 PolarHBondContact O-N 2.99Å; E443-G447 PolarHBondContact O-N 3.48Å
444	L	97.4	Very high	95.9	Very high	34 Å²	34	60.9 Å²	60.9	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-45	176.1	-63	176.9	0	0	0	110.8	F321 H322 L361 Y441 A442 N446 G447 C448	F321-L444 HydrophobicContact CD1-CB 4.31Å; F321-L444 HydrophobicContact CE1-CB 3.57Å; F321-L444 HydrophobicContact CE2-CB 4.47Å; F321-L444 HydrophobicContact CE2-CD1 4.21Å; F321-L444 HydrophobicContact CZ-CB 3.68Å; F321-L444 HydrophobicContact CZ-CD1 4.2Å; H322-L444 PolarHBondContact CE1-O 3.01Å; H322-L444 PolarHBondContact NE2-O 3.37Å; L361-L444 HydrophobicContact CD1-CD1 4Å; L361-L444 HydrophobicContact CD1-CD2 3.91Å; L361-L444 HydrophobicContact CG-CD1 3.99Å; Y441-L444 HydrophobicContact CD1-CD1 4.08Å; Y441-L444 PolarHBondContact O-N 2.92Å; A442-L444 VanDerWaalsContact C-N 3.33Å; A442-L444 PolarHBondContact O-N 2.98Å; L444-N446 PolarHBondContact O-N 2.99Å; L444-G447 PolarHBondContact O-N 3.29Å; L444-C448 HydrophobicContact CB-CB 4.23Å; L444-C448 HydrophobicContact CD2-CB 4.2Å; L444-C448 WeakPolarHBondContact O-CB 3.18Å; L444-C448 PolarHBondContact O-N 2.83Å
445	L	97.4	Very high	95.8	Very high	36 Å²	36	64 Å²	64	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-28.8	179.8	-71.7	170.1	0	0	0	113.3	F321 H322 F325 K438 Y441 A442	F321-L445 HydrophobicContact CE1-CD2 3.66Å; F321-L445 HydrophobicContact CE1-CG 3.97Å; F321-L445 HydrophobicContact CZ-CD2 3.85Å; F321-L445 HydrophobicContact CZ-CG 3.94Å; H322-L445 PolarHBondContact CE1-O 3.21Å; H322-L445 VanDerWaalsContact CE1-O 3.3Å; F325-L445 HydrophobicContact CB-CD2 3.6Å; F325-L445 HydrophobicContact CD1-CD1 4.26Å; F325-L445 HydrophobicContact CD1-CD2 3.81Å; F325-L445 HydrophobicContact CD2-CD2 4.15Å; F325-L445 HydrophobicContact CE1-CD1 4.43Å; F325-L445 HydrophobicContact CG-CD2 3.59Å; K438-L445 HydrophobicContact CB-CD1 4.03Å; K438-L445 HydrophobicContact CG-CD1 4.21Å; K438-L445 WeakPolarHBondContact O-CD1 3.46Å; Y441-L445 WeakPolarHBondContact O-CG 3.48Å; Y441-L445 PolarHBondContact O-N 3.36Å; A442-L445 PolarHBondContact O-N 2.98Å
446	N	95	Very high	95.4	Very high	144 Å²	144	61.3 Å²	61.3	77%	0.77	32%	0.318	S	S	*	.	H	α-helix	trans	-98.4	-15.9	-179.3	-64.8	-39.4	0	0	0	114	A442 L444	A442-N446 WeakPolarHBondContact O-CB 3.33Å; A442-N446 VanDerWaalsContact O-CG 3.28Å; A442-N446 PolarHBondContact O-N 2.66Å; A442-N446 PolarHBondContact O-ND2 3.19Å; L444-N446 PolarHBondContact O-N 2.99Å
447	G	90.5	Very high	94.8	Very high	57 Å²	57	67.2 Å²	67.2	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-142.2	-6.7	-166.6	0	0	0	0	0	117.5	E443 L444 D449	E443-G447 PolarHBondContact O-N 3.48Å; L444-G447 PolarHBondContact O-N 3.29Å; G447-D449 PolarHBondContact O-N 2.61Å
448	C	93	Very high	93.1	Very high	5 Å²	5	76.5 Å²	76.5	3%	0.034	38%	0.384	C	S	.	.			trans	-79.3	62	178.1	-154.3	0	0	0	0	110.6	C318 H322 L444 Y450	C318-C448 HydrophobicContact CB-CB 3.95Å; C318-C448 WeakPolarHBondContact CB-O 3.17Å; C318-C448 WeakPolarHBondContact CB-SG 3.22Å; C318-C448 VanDerWaalsContact SG-C 3.51Å; C318-C448 VanDerWaalsContact SG-CA 3.55Å; C318-C448 WeakPolarHBondContact SG-CB 3.3Å; C318-C448 PolarHBondContact SG-O 3.09Å; C318-C448 CovalentContact SG-SG 2.03Å; C318-C448 PolarHBondContact SG-SG 3.07Å; H322-C448 PolarHBondContact CD2-O 3.03Å; H322-C448 PolarHBondContact NE2-O 3.38Å; L444-C448 HydrophobicContact CB-CB 4.23Å; L444-C448 HydrophobicContact CD2-CB 4.2Å; L444-C448 WeakPolarHBondContact O-CB 3.18Å; L444-C448 PolarHBondContact O-N 2.83Å; C448-Y450 PolarHBondContact O-N 3.15Å
449	D	94.3	Very high	91	Very high	72 Å²	72	79.8 Å²	79.8	39%	0.385	41%	0.41	S	S	.	.			trans	-76.1	118	177.2	176.5	-110.6	0	0	0	111.1	G447 E451 T452 V453	G447-D449 PolarHBondContact O-N 2.61Å; D449-E451 VanDerWaalsContact C-N 3.34Å; D449-E451 PolarHBondContact O-N 3.21Å; D449-E451 PolarHBondContact OD1-N 3.32Å; D449-T452 PolarHBondContact O-N 3Å; D449-T452 WeakPolarHBondContact OD1-CB 3.36Å; D449-T452 PolarHBondContact OD1-N 3.08Å; D449-T452 PolarHBondContact OD1-OG1 3.06Å; D449-V453 WeakPolarHBondContact O-CB 3.41Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 3.19Å
450	Y	94.8	Very high	88.6	Confident	20 Å²	20	75.6 Å²	75.6	8%	0.078	42%	0.415	C	S	.	.	H	α-helix	trans	-61.7	-40.1	-175.5	174.4	-103	0	0	0	112.4	F209 K212 C213 S316 I319 C448 C454 L456	F209-Y450 HydrophobicContact CB-CE2 3.81Å; F209-Y450 PolarHBondContact O-OH 2.95Å; K212-Y450 WeakPolarHBondContact CB-OH 3.29Å; C213-Y450 HydrophobicContact CB-CE2 4.2Å; C213-Y450 PolarHBondContact N-OH 2.89Å; S316-Y450 WeakPolarHBondContact O-CD2 3.31Å; S316-Y450 WeakPolarHBondContact O-CE2 3.45Å; I319-Y450 HydrophobicContact CB-CD1 4.27Å; I319-Y450 HydrophobicContact CB-CD2 4.06Å; I319-Y450 HydrophobicContact CB-CG 3.8Å; I319-Y450 HydrophobicContact CD1-CD1 4.38Å; I319-Y450 HydrophobicContact CG2-CD1 4.47Å; I319-Y450 HydrophobicContact CG2-CD2 3.81Å; I319-Y450 HydrophobicContact CG2-CE2 4.09Å; I319-Y450 HydrophobicContact CG2-CG 4.03Å; C448-Y450 PolarHBondContact O-N 3.15Å; Y450-C454 VanDerWaalsContact CD2-SG 3.54Å; Y450-C454 HydrophobicContact CE2-CB 4.33Å; Y450-C454 WeakPolarHBondContact CE2-SG 3.5Å; Y450-C454 WeakPolarHBondContact O-CB 3.38Å; Y450-C454 PolarHBondContact O-N 2.71Å; Y450-L456 HydrophobicContact CD1-CD1 3.95Å; Y450-L456 HydrophobicContact CE1-CD1 3.66Å
451	E	94.8	Very high	86.2	Confident	98 Å²	98	80 Å²	80	46%	0.458	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-43.9	-176.4	-54.8	-168.3	151.6	0	0	111.5	D449 E455 L456 F457	D449-E451 VanDerWaalsContact C-N 3.34Å; D449-E451 PolarHBondContact O-N 3.21Å; D449-E451 PolarHBondContact OD1-N 3.32Å; E451-E455 PolarHBondContact O-N 2.88Å; E451-E455 VanDerWaalsContact O-N 3.13Å; E451-L456 HydrophobicContact CB-CD1 4.22Å; E451-L456 HydrophobicContact CG-CD1 4.08Å; E451-L456 PolarHBondContact O-N 3.18Å; E451-F457 HydrophobicContact CB-CE2 4.35Å; E451-F457 HydrophobicContact CG-CE2 4.46Å; E451-F457 WeakPolarHBondContact OE2-CE2 3.38Å
452	T	94.4	Very high	84.1	Confident	106 Å²	106	88.9 Å²	88.9	65%	0.65	50%	0.495	S	S	*	.	H	α-helix	trans	-67.4	-50.8	176.2	-56.3	0	0	0	0	111.2	D449 C454 E455	D449-T452 PolarHBondContact O-N 3Å; D449-T452 WeakPolarHBondContact OD1-CB 3.36Å; D449-T452 PolarHBondContact OD1-N 3.08Å; D449-T452 PolarHBondContact OD1-OG1 3.06Å; T452-C454 VanDerWaalsContact C-N 3.26Å; T452-C454 PolarHBondContact O-N 3.43Å; T452-E455 PolarHBondContact O-N 3.33Å
453	V	95.6	Very high	83.4	Confident	28 Å²	28	91.7 Å²	91.7	17%	0.17	51%	0.506	C	S	.	.	H	α-helix	trans	-57.4	-41.8	179.6	160.6	0	0	0	0	111.5	K215 I312 K315 D449	K215-V453 VanDerWaalsContact CD-O 3.24Å; K215-V453 WeakPolarHBondContact CD-O 3.49Å; I312-V453 HydrophobicContact CD1-CG1 3.51Å; I312-V453 WeakPolarHBondContact CD1-O 3.11Å; K315-V453 HydrophobicContact CB-CG1 3.6Å; K315-V453 HydrophobicContact CD-CG2 4.47Å; D449-V453 WeakPolarHBondContact O-CB 3.41Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 3.19Å
454	C	96.4	Very high	82.7	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1	-176.6	-72.9	0	0	0	0	114.4	C213 T214 K215 Y450 T452 L456	C213-C454 VanDerWaalsContact CA-SG 3.57Å; C213-C454 HydrophobicContact CB-CB 3.77Å; C213-C454 WeakPolarHBondContact CB-SG 3.3Å; C213-C454 VanDerWaalsContact SG-CA 3.54Å; C213-C454 WeakPolarHBondContact SG-CB 3.5Å; C213-C454 CovalentContact SG-SG 2.03Å; C213-C454 PolarHBondContact SG-SG 2.59Å; T214-C454 VanDerWaalsContact CB-O 3.3Å; T214-C454 WeakPolarHBondContact CB-O 3.49Å; T214-C454 PolarHBondContact N-O 3.28Å; K215-C454 PolarHBondContact N-O 2.84Å; Y450-C454 VanDerWaalsContact CD2-SG 3.54Å; Y450-C454 HydrophobicContact CE2-CB 4.33Å; Y450-C454 WeakPolarHBondContact CE2-SG 3.5Å; Y450-C454 WeakPolarHBondContact O-CB 3.38Å; Y450-C454 PolarHBondContact O-N 2.71Å; T452-C454 VanDerWaalsContact C-N 3.26Å; T452-C454 PolarHBondContact O-N 3.43Å; C454-L456 VanDerWaalsContact C-N 3.29Å; C454-L456 HydrophobicContact CB-CD2 3.82Å; C454-L456 HydrophobicContact CB-CG 4.03Å; C454-L456 PolarHBondContact O-N 3.13Å
455	E	95.4	Very high	81.9	Confident	68 Å²	68	89.9 Å²	89.9	32%	0.318	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	47.3	-178.4	-60.5	170.4	-165.6	0	0	111.3	K215 R218 E451 T452 F457	K215-E455 HydrophobicContact CB-CB 4.4Å; K215-E455 HydrophobicContact CB-CG 4.24Å; K215-E455 HydrophobicContact CD-CG 4.31Å; K215-E455 VanDerWaalsContact CD-OE1 3.31Å; K215-E455 WeakPolarHBondContact CD-OE1 3.3Å; K215-E455 WeakPolarHBondContact CE-OE1 3.06Å; K215-E455 IonicContact NZ-OE1 2.77Å; K215-E455 PolarHBondContact NZ-OE1 3.39Å; R218-E455 IonicContact CZ-OE2 3.51Å; R218-E455 VanDerWaalsContact CZ-OE2 3.24Å; R218-E455 IonicContact NH1-OE2 3.4Å; R218-E455 PolarHBondContact NH1-OE2 2.93Å; R218-E455 IonicContact NH2-OE1 3.65Å; R218-E455 IonicContact NH2-OE2 2.7Å; R218-E455 PolarHBondContact NH2-OE2 3.46Å; E451-E455 PolarHBondContact O-N 2.88Å; E451-E455 VanDerWaalsContact O-N 3.13Å; T452-E455 PolarHBondContact O-N 3.33Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.44Å
456	L	87.6	Confident	81	Confident	54 Å²	54	93.1 Å²	93.1	28%	0.283	52%	0.523	S	S	.	.			trans	-68.8	-32.1	-177	-62.7	-172.5	0	0	0	112.5	K212 Y450 E451 C454	K212-L456 WeakPolarHBondContact O-CD2 3.35Å; Y450-L456 HydrophobicContact CD1-CD1 3.95Å; Y450-L456 HydrophobicContact CE1-CD1 3.66Å; E451-L456 HydrophobicContact CB-CD1 4.22Å; E451-L456 HydrophobicContact CG-CD1 4.08Å; E451-L456 PolarHBondContact O-N 3.18Å; C454-L456 VanDerWaalsContact C-N 3.29Å; C454-L456 HydrophobicContact CB-CD2 3.82Å; C454-L456 HydrophobicContact CB-CG 4.03Å; C454-L456 PolarHBondContact O-N 3.13Å
457	F	82.4	Confident	80.1	Confident	143 Å²	143	89.9 Å²	89.9	63%	0.627	51%	0.508	S	S	*	.	S	Bend	trans	-115.5	133.4	176.1	-53.7	-71.9	0	0	0	108.8	E451 E455	E451-F457 HydrophobicContact CB-CE2 4.35Å; E451-F457 HydrophobicContact CG-CE2 4.46Å; E451-F457 WeakPolarHBondContact OE2-CE2 3.38Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.44Å
458	K	60.9	Low	79.4	Confident	195 Å²	195	92.1 Å²	92.1	85%	0.848	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-67	135.4	164.9	-74.4	-174.9	175.9	-174.7	0	107.6	A460	K458-A460 PolarHBondContact O-N 3.38Å
459	P	54.9	Low	78.4	Confident	116 Å²	116	98.3 Å²	98.3	75%	0.753	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.3	138.8	166	23.3	-29.9	0	0	0	108.4	E461	P459-E461 PolarHBondContact O-N 2.96Å
460	A	47.3	Very low	77.2	Confident	97 Å²	97	100.3 Å²	100.3	80%	0.802	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54	126.7	172.7	0	0	0	0	0	108.1	K458	K458-A460 PolarHBondContact O-N 3.38Å
461	E	45.6	Very low	75.8	Confident	179 Å²	179	107 Å²	107	84%	0.836	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59	131.3	173.4	-76	179	173.8	0	0	108.1	P459	P459-E461 PolarHBondContact O-N 2.96Å
462	P	53.8	Low	74	Confident	200 Å²	200	107.8 Å²	107.8	100%	1.299	60%	0.599	S	S	*	*			trans	-64.9	0	-178.2	25.3	-32.7	0	0	0	113.5

Retrieved 462 of 462 residues in 149.3 ms (Link to these results)

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