A0A077ZFQ6_TRITR Loading...

beta-N-acetylhexosaminidase

AlphaFold DB , UniProt , Accession A0A077ZFQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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	31.2	Very low	28.1	Very low	246 Å²	246	165.5 Å²	165.5	100%	1.212	83%	0.832	S	S	*	*				0	77.9	0	-68.7	179.1	-134	0	0	109.6
2	K	31.3	Very low	27.7	Very low	208 Å²	208	162.5 Å²	162.5	90%	0.904	83%	0.829	S	S	*	*			trans	-147.7	140.5	-178.1	-83.8	-174.4	177.3	175.5	0	110
3	K	27	Very low	27.8	Very low	209 Å²	209	163.5 Å²	163.5	91%	0.909	82%	0.824	S	S	*	*			trans	-55.4	143.1	-173.6	-65.9	163.7	171.1	177.6	0	113.8
4	T	32.9	Very low	27.4	Very low	136 Å²	136	156.4 Å²	156.4	83%	0.834	81%	0.813	S	S	*	*			trans	-149.9	111.8	154.1	-31	0	0	0	0	112
5	F	30.1	Very low	27.6	Very low	179 Å²	179	159.3 Å²	159.3	79%	0.785	82%	0.817	S	S	*	*			trans	28.3	111.5	147.8	-94.7	-110.3	0	0	0	124.3
6	I	29.9	Very low	27.4	Very low	136 Å²	136	160.8 Å²	160.8	70%	0.697	82%	0.82	S	S	*	*				57.7	105.5	115.1	-55.1	-177.3	0	0	0	121.5
7	N	26.6	Very low	27.6	Very low	139 Å²	139	161.8 Å²	161.8	74%	0.743	83%	0.826	S	S	*	*			trans	2.8	135.3	133	-75.6	-26.8	0	0	0	123.6
8	K	24.7	Very low	27.8	Very low	198 Å²	198	160.4 Å²	160.4	86%	0.861	82%	0.821	S	S	*	*				26	123.9	126.9	-77.1	178.4	175.6	178.5	0	118.8
9	L	24.3	Very low	27.9	Very low	159 Å²	159	158.4 Å²	158.4	83%	0.832	82%	0.819	S	S	*	*			trans	-127	116.8	155.6	-109.1	118.5	0	0	0	110.4	V11	L9-V11 HydrophobicContact CD2-CG2 4.07Å
10	S	23.2	Very low	28	Very low	107 Å²	107	155.3 Å²	155.3	75%	0.748	81%	0.812	S	S	*	*			trans	-86.8	145.8	154.1	56.6	0	0	0	0	108.5
11	V	27.8	Very low	28.2	Very low	103 Å²	103	153.1 Å²	153.1	62%	0.624	81%	0.81	S	S	*	*			trans	-129.1	117.2	170.9	177.1	0	0	0	0	109.3	L9 F13	L9-V11 HydrophobicContact CD2-CG2 4.07Å; V11-F13 HydrophobicContact CG1-CD2 3.45Å; V11-F13 VanDerWaalsContact CG1-CD2 3.45Å; V11-F13 HydrophobicContact CG1-CE2 3.51Å
12	T	23.1	Very low	28.4	Very low	130 Å²	130	150 Å²	150	80%	0.798	79%	0.792	S	S	*	*			trans	-102	137.9	163.6	-42.5	0	0	0	0	106.5
13	F	29	Very low	28.4	Very low	175 Å²	175	147.5 Å²	147.5	77%	0.768	79%	0.789	S	S	*	*			trans	-125.8	118.6	164.6	-94.2	-82.5	0	0	0	108.8	V11	V11-F13 HydrophobicContact CG1-CD2 3.45Å; V11-F13 VanDerWaalsContact CG1-CD2 3.45Å; V11-F13 HydrophobicContact CG1-CE2 3.51Å
14	G	22.8	Very low	28.7	Very low	64 Å²	64	146.6 Å²	146.6	66%	0.66	79%	0.787	S	S	*	*			trans	-98	153	164.4	0	0	0	0	0	110.3
15	F	30.4	Very low	28.5	Very low	201 Å²	201	145 Å²	145	88%	0.882	79%	0.789	S	S	*	*			trans	-136.7	131.8	157.7	-90	-85.3	0	0	0	107.6
16	E	24.9	Very low	28.6	Very low	183 Å²	183	143.1 Å²	143.1	86%	0.855	79%	0.791	S	S	*	*			trans	-114.8	121.5	-179.6	176.2	171.8	-144.8	0	0	105.9
17	L	29.6	Very low	28.7	Very low	178 Å²	178	146 Å²	146	93%	0.932	80%	0.799	S	S	*	*			trans	-157.5	120.6	158	-79.3	-171.5	0	0	0	112.1
18	D	31.2	Very low	28.9	Very low	136 Å²	136	148.5 Å²	148.5	73%	0.727	81%	0.806	S	S	*	*			trans	75.8	110.6	148.8	-149.5	0.1	0	0	0	121.8
19	P	29.4	Very low	29.4	Very low	122 Å²	122	144 Å²	144	79%	0.792	80%	0.799	S	S	*	*			trans	-103.2	91.5	168.8	36.2	-22.8	0	0	0	111.2
20	S	30.1	Very low	30	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	80%	0.797	S	S	*	*			trans	179.1	109.4	146.8	47.6	0	0	0	0	112
21	S	33.5	Very low	31	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	79%	0.792	S	S	*	*			trans	166.5	112.5	133.5	45.9	0	0	0	0	112
22	H	35.8	Very low	31.7	Very low	180 Å²	180	141 Å²	141	83%	0.833	79%	0.793	S	S	*	*			trans	46	109.8	138.1	-62.1	-67.6	0	0	0	121.5
23	N	29.8	Very low	33.4	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	79%	0.79	S	S	*	*			trans	33.2	102.8	131.8	-84.6	-8.8	0	0	0	118.1
24	E	33.1	Very low	35.2	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	78%	0.78	S	S	*	*			trans	-156.8	129.4	135.5	-111.9	172.9	-164.9	0	0	109.7	V26	E24-V26 PolarHBondContact O-N 3.06Å; E24-V26 VanDerWaalsContact O-N 3.1Å
25	A	29.7	Very low	37.3	Very low	104 Å²	104	137 Å²	137	86%	0.86	76%	0.761	S	S	*	*			trans	-66.2	106.3	-175.3	0	0	0	0	0	111.3	K27	A25-K27 PolarHBondContact O-N 2.9Å
26	V	32.8	Very low	39.4	Very low	138 Å²	138	133.1 Å²	133.1	84%	0.836	75%	0.748	S	S	*	*			trans	-73.9	107.2	170.5	179.7	0	0	0	0	108.7	E24 E28	E24-V26 PolarHBondContact O-N 3.06Å; E24-V26 VanDerWaalsContact O-N 3.1Å; V26-E28 PolarHBondContact O-N 3.44Å
27	K	31.3	Very low	41.7	Very low	198 Å²	198	125 Å²	125	86%	0.861	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-56.2	120.1	166.7	-81.5	175.7	173.6	173.7	0	109.8	A25 S29	A25-K27 PolarHBondContact O-N 2.9Å; K27-S29 PolarHBondContact O-N 2.92Å
28	E	31.5	Very low	44.3	Very low	191 Å²	191	125.7 Å²	125.7	89%	0.893	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-55.5	119.4	167	-72.2	-177.3	152.8	0	0	110.4	V26	V26-E28 PolarHBondContact O-N 3.44Å
29	S	34.6	Very low	46.9	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-70.5	139.1	167.5	62.5	0	0	0	0	109.6	K27 S31	K27-S29 PolarHBondContact O-N 2.92Å; S29-S31 PolarHBondContact O-N 3.04Å; S29-S31 VanDerWaalsContact O-N 3.08Å
30	P	37.1	Very low	49.7	Very low	121 Å²	121	121 Å²	121	79%	0.786	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63	118.9	179.2	26.3	-31.6	0	0	0	109.2	S32	P30-S32 PolarHBondContact O-N 3.26Å
31	S	42.8	Very low	52.6	Low	92 Å²	92	116.5 Å²	116.5	64%	0.643	63%	0.631	S	S	*	*			trans	-56.9	105	172.5	53.7	0	0	0	0	108.5	S29 H33	S29-S31 PolarHBondContact O-N 3.04Å; S29-S31 VanDerWaalsContact O-N 3.08Å; S31-H33 VanDerWaalsContact C-N 3.31Å; S31-H33 PolarHBondContact O-N 3.38Å
32	S	44	Very low	55.2	Low	93 Å²	93	111.2 Å²	111.2	65%	0.65	59%	0.594	S	S	*	*			trans	-70.4	88.1	177.6	61.7	0	0	0	0	109.5	P30 A34	P30-S32 PolarHBondContact O-N 3.26Å; S32-A34 VanDerWaalsContact C-N 3.3Å; S32-A34 PolarHBondContact O-N 3.2Å
33	H	58.5	Low	57.8	Low	159 Å²	159	103 Å²	103	74%	0.736	56%	0.556	S	S	*	*			trans	-64.7	96.4	162	-71.9	-71.5	0	0	0	107.4	S31 F35	S31-H33 VanDerWaalsContact C-N 3.31Å; S31-H33 PolarHBondContact O-N 3.38Å; H33-F35 PolarHBondContact O-N 2.91Å
34	A	65.5	Low	60.7	Low	66 Å²	66	95.8 Å²	95.8	55%	0.545	52%	0.518	S	S	.	.			trans	-57.3	127.1	170	0	0	0	0	0	108.1	S32 I36	S32-A34 VanDerWaalsContact C-N 3.3Å; S32-A34 PolarHBondContact O-N 3.2Å; A34-I36 PolarHBondContact O-N 3.3Å
35	F	68.6	Low	63.4	Low	61 Å²	61	89.2 Å²	89.2	27%	0.268	49%	0.488	S	S	.	.			trans	-63.1	119.1	174.8	172.8	-99.3	0	0	0	108.3	H33 P37 Y313 L321 S329	H33-F35 PolarHBondContact O-N 2.91Å; F35-P37 HydrophobicContact CD1-CB 4.39Å; F35-P37 HydrophobicContact CD1-CG 3.79Å; F35-P37 HydrophobicContact CE1-CB 3.72Å; F35-P37 HydrophobicContact CE1-CG 3.57Å; F35-P37 HydrophobicContact CZ-CB 4.33Å; F35-P37 WeakPolarHBondContact O-CD 3.41Å; F35-Y313 HydrophobicContact CE1-CE1 4Å; F35-Y313 WeakPolarHBondContact CE1-OH 3.19Å; F35-Y313 AromaticContact CZ-CE1 3.76Å; F35-Y313 HydrophobicContact CZ-CE1 3.76Å; F35-L321 HydrophobicContact CD2-CD2 4.2Å; F35-L321 HydrophobicContact CE2-CD2 4.48Å; F35-S329 WeakPolarHBondContact CD1-OG 3.28Å
36	I	74.5	Confident	66.3	Low	119 Å²	119	84.4 Å²	84.4	61%	0.61	45%	0.449	S	S	*	.			trans	-102.1	109	171.4	-58.3	178.7	0	0	0	107.3	A34	A34-I36 PolarHBondContact O-N 3.3Å
37	P	72.8	Confident	68.5	Low	11 Å²	11	81.2 Å²	81.2	7%	0.071	42%	0.423	C	S	.	.			trans	-64.2	137	-177.3	-16.2	27.2	0	0	0	111.6	F35 R39 R40 Y311	F35-P37 HydrophobicContact CD1-CB 4.39Å; F35-P37 HydrophobicContact CD1-CG 3.79Å; F35-P37 HydrophobicContact CE1-CB 3.72Å; F35-P37 HydrophobicContact CE1-CG 3.57Å; F35-P37 HydrophobicContact CZ-CB 4.33Å; F35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-R39 PolarHBondContact O-N 2.93Å; P37-R40 HydrophobicContact CB-CG 4.45Å; P37-R40 WeakPolarHBondContact O-CG 3.4Å; P37-R40 PolarHBondContact O-NH1 2.65Å; P37-Y311 HydrophobicContact CB-CD1 3.17Å; P37-Y311 HydrophobicContact CB-CE1 3.05Å; P37-Y311 HydrophobicContact CB-CG 4.37Å; P37-Y311 HydrophobicContact CG-CD1 3.54Å; P37-Y311 HydrophobicContact CG-CE1 2.89Å
38	K	83.6	Confident	70.4	Confident	193 Å²	193	74.7 Å²	74.7	84%	0.839	41%	0.412	S	S	*	.	S	Bend	trans	-65	-37.7	-176	-71	-174.7	179.2	-179.7	0	113.2
39	R	86.9	Confident	72.4	Confident	91 Å²	91	68.4 Å²	68.4	34%	0.343	39%	0.393	S	S	.	.			trans	-103.6	130	174.3	-64.3	-174.9	-173	-87.2	5.6	108.9	P37 T69 E112 W279 Y310	P37-R39 PolarHBondContact O-N 2.93Å; R39-T69 WeakPolarHBondContact CA-OG1 3.23Å; R39-E112 IonicContact CZ-OE1 3.21Å; R39-E112 IonicContact CZ-OE2 3.63Å; R39-E112 IonicContact NH1-OE1 3.66Å; R39-E112 PolarHBondContact NH1-OE1 2.85Å; R39-E112 IonicContact NH1-OE2 2.77Å; R39-E112 PolarHBondContact NH1-OE2 3.36Å; R39-W279 HydrophobicContact CB-CZ3 4.14Å; R39-W279 HydrophobicContact CG-CZ3 4.48Å; R39-Y310 CarbonylContact C-O 3.6Å; R39-Y310 WeakPolarHBondContact CB-O 3.4Å
40	R	87.6	Confident	74.8	Confident	70 Å²	70	63.8 Å²	63.8	26%	0.264	36%	0.361	S	S	.	.			trans	-139.7	94.4	180	-61.7	178.1	-61.2	-81.1	-3	106.5	P37 G67 A68 T69 G70 I309	P37-R40 HydrophobicContact CB-CG 4.45Å; P37-R40 WeakPolarHBondContact O-CG 3.4Å; P37-R40 PolarHBondContact O-NH1 2.65Å; R40-G67 PolarHBondContact NE-O 3.27Å; R40-G67 PolarHBondContact NH2-O 2.86Å; R40-A68 CarbonylContact O-C 3.55Å; R40-A68 WeakPolarHBondContact O-CA 3.49Å; R40-T69 PolarHBondContact N-OG1 2.76Å; R40-T69 VanDerWaalsContact NH2-CG2 3.3Å; R40-T69 PolarHBondContact O-N 3.33Å; R40-T69 PolarHBondContact O-OG1 2.89Å; R40-G70 PolarHBondContact O-N 3.39Å; R40-I309 HydrophobicContact CB-CG2 3.93Å; R40-I309 HydrophobicContact CG-CG2 3.75Å
41	I	89.9	Confident	77.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.9	-171.4	-52.6	-60.5	0	0	0	108.4	G70 I71 L72 I114 S308 Y310	I41-G70 CarbonylContact C-O 3.54Å; I41-G70 VanDerWaalsContact CA-O 3.31Å; I41-G70 WeakPolarHBondContact CA-O 3.42Å; I41-I71 VanDerWaalsContact CG2-C 3.46Å; I41-L72 HydrophobicContact CG2-CB 3.84Å; I41-L72 VanDerWaalsContact CG2-N 3.28Å; I41-I114 HydrophobicContact CD1-CD1 4.37Å; I41-I114 HydrophobicContact CG1-CD1 4.35Å; I41-I114 HydrophobicContact CG2-CD1 4.48Å; I41-S308 CarbonylContact C-O 3.59Å; I41-S308 CarbonylContact O-C 3.52Å; I41-Y310 HydrophobicContact CB-CD2 3.69Å; I41-Y310 HydrophobicContact CB-CG 4.04Å; I41-Y310 VanDerWaalsContact CG1-CB 3.47Å; I41-Y310 HydrophobicContact CG1-CD2 4.27Å; I41-Y310 HydrophobicContact CG1-CG 4.1Å; I41-Y310 HydrophobicContact CG2-CD2 4Å
42	V	89.5	Confident	79.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.8	170.1	-171.3	0	0	0	0	108.3	F63 A68 G70 I71 L72 F305 L307	V42-F63 HydrophobicContact CB-CD2 4.1Å; V42-F63 HydrophobicContact CB-CE2 4.13Å; V42-F63 HydrophobicContact CB-CG 4.35Å; V42-F63 HydrophobicContact CB-CZ 4.4Å; V42-F63 HydrophobicContact CG1-CD1 4.3Å; V42-F63 HydrophobicContact CG1-CD2 4.31Å; V42-F63 HydrophobicContact CG1-CE1 3.92Å; V42-F63 HydrophobicContact CG1-CE2 3.93Å; V42-F63 HydrophobicContact CG1-CZ 3.73Å; V42-F63 HydrophobicContact CG2-CB 4.16Å; V42-F63 HydrophobicContact CG2-CD1 4.07Å; V42-F63 HydrophobicContact CG2-CD2 4.04Å; V42-F63 HydrophobicContact CG2-CE2 4.5Å; V42-F63 HydrophobicContact CG2-CG 3.84Å; V42-A68 HydrophobicContact CG2-CB 3.68Å; V42-G70 PolarHBondContact N-O 3.23Å; V42-I71 HydrophobicContact CB-CG2 4.45Å; V42-I71 CarbonylContact O-C 3.58Å; V42-I71 VanDerWaalsContact O-CA 3.24Å; V42-I71 WeakPolarHBondContact O-CA 3.38Å; V42-L72 PolarHBondContact O-N 3.44Å; V42-F305 HydrophobicContact CG1-CB 4.45Å; V42-L307 HydrophobicContact CB-CD1 4.29Å; V42-L307 HydrophobicContact CG1-CD1 4.14Å; V42-L307 HydrophobicContact CG2-CD1 3.55Å
43	H	89.8	Confident	81.8	Confident	7 Å²	7	52.5 Å²	52.5	3%	0.032	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.1	176.7	178.7	-171.6	0	0	0	110	L72 E74 H306	H43-L72 CarbonylContact C-O 3.45Å; H43-L72 WeakPolarHBondContact CA-O 3.41Å; H43-L72 HydrophobicContact CB-CB 4.21Å; H43-L72 HydrophobicContact CB-CD2 3.98Å; H43-E74 IonicContact CE1-OE2 3.64Å; H43-E74 PolarHBondContact CE1-OE2 3.01Å; H43-E74 IonicContact NE2-OE2 3.41Å; H43-E74 PolarHBondContact NE2-OE2 3.48Å; H43-H306 WeakPolarHBondContact CA-O 3.46Å; H43-H306 HydrophobicContact CB-CB 3.95Å; H43-H306 WeakPolarHBondContact CB-O 3.27Å; H43-H306 PolarHBondContact N-O 3.3Å; H43-H306 PolarHBondContact O-N 3.14Å
44	L	90.6	Very high	83.3	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	106.2	172.2	-62.1	-176.8	0	0	0	109.2	L46 F56 F60 F63 L72 E74 F305	L44-L46 HydrophobicContact CB-CD2 4.2Å; L44-F56 HydrophobicContact CD1-CD1 4.5Å; L44-F56 HydrophobicContact CD1-CE1 4.09Å; L44-F60 HydrophobicContact CD1-CE1 3.79Å; L44-F60 HydrophobicContact CD1-CZ 4.45Å; L44-F63 HydrophobicContact CD1-CE2 4.32Å; L44-F63 HydrophobicContact CD2-CE2 3.88Å; L44-F63 HydrophobicContact CD2-CZ 3.85Å; L44-F63 HydrophobicContact CG-CE2 4.39Å; L44-L72 PolarHBondContact N-O 2.94Å; L44-E74 PolarHBondContact O-N 3.01Å; L44-F305 HydrophobicContact CD2-CD1 3.49Å; L44-F305 VanDerWaalsContact CD2-CD1 3.49Å; L44-F305 HydrophobicContact CD2-CE1 3.53Å
45	D	89.3	Confident	84.7	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.8	170	-175.4	1.5	0	0	0	109.6	K47	D45-K47 VanDerWaalsContact OD1-CG 3.26Å; D45-K47 WeakPolarHBondContact OD1-CG 3.28Å; D45-K47 PolarHBondContact OD1-N 2.96Å; D45-K47 IonicContact OD1-NZ 3.48Å; D45-K47 PolarHBondContact OD1-NZ 3.22Å; D45-K47 WeakPolarHBondContact OD2-CE 3.35Å; D45-K47 IonicContact OD2-NZ 3.79Å; D45-K47 PolarHBondContact OD2-NZ 3.18Å
46	L	90.8	Very high	86	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.4	-171.4	-57.5	-179.3	0	0	0	113.5	L44 G48 A50 F56 I73 E74 W75 M78 Y94	L44-L46 HydrophobicContact CB-CD2 4.2Å; L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 2.74Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-F56 HydrophobicContact CD1-CZ 4.45Å; L46-F56 HydrophobicContact CD2-CE1 4.34Å; L46-F56 HydrophobicContact CD2-CZ 4.04Å; L46-I73 HydrophobicContact CD1-CG2 3.42Å; L46-I73 VanDerWaalsContact CD1-CG2 3.42Å; L46-I73 HydrophobicContact CG-CG2 4.1Å; L46-E74 WeakPolarHBondContact CB-O 3.39Å; L46-E74 PolarHBondContact N-O 3.45Å; L46-W75 HydrophobicContact CD1-CD2 4.17Å; L46-W75 HydrophobicContact CD1-CE3 3.54Å; L46-W75 HydrophobicContact CD1-CH2 4.3Å; L46-W75 HydrophobicContact CD1-CZ3 3.61Å; L46-M78 HydrophobicContact CB-CB 4.48Å; L46-M78 WeakPolarHBondContact O-CG 3.35Å; L46-Y94 HydrophobicContact CB-CE2 4.48Å; L46-Y94 HydrophobicContact CD1-CE2 3.85Å
47	K	79.7	Confident	87	Confident	71 Å²	71	47.5 Å²	47.5	31%	0.309	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.6	-175.9	76.3	-164.5	163.9	-93.3	0	114.8	D45 E74 E76	D45-K47 VanDerWaalsContact OD1-CG 3.26Å; D45-K47 WeakPolarHBondContact OD1-CG 3.28Å; D45-K47 PolarHBondContact OD1-N 2.96Å; D45-K47 IonicContact OD1-NZ 3.48Å; D45-K47 PolarHBondContact OD1-NZ 3.22Å; D45-K47 WeakPolarHBondContact OD2-CE 3.35Å; D45-K47 IonicContact OD2-NZ 3.79Å; D45-K47 PolarHBondContact OD2-NZ 3.18Å; K47-E74 VanDerWaalsContact NZ-CD 3.32Å; K47-E74 IonicContact NZ-OE1 2.7Å; K47-E74 PolarHBondContact NZ-OE1 2.87Å; K47-E74 IonicContact NZ-OE2 2.72Å; K47-E76 HydrophobicContact CB-CB 4.32Å; K47-E76 HydrophobicContact CD-CG 4.36Å; K47-E76 WeakPolarHBondContact CD-OE1 3.2Å; K47-E76 WeakPolarHBondContact CD-OE2 3.43Å; K47-E76 IonicContact NZ-OE1 2.64Å
48	G	70.1	Confident	88	Confident	60 Å²	60	49.6 Å²	49.6	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-67.1	-174.3	0	0	0	0	0	114.3	L46	L46-G48 VanDerWaalsContact C-N 3.31Å; L46-G48 PolarHBondContact O-N 2.74Å
49	A	73.6	Confident	88.4	Confident	59 Å²	59	41.5 Å²	41.5	49%	0.488	22%	0.219	S	C	.	.	S	Bend	trans	-126.4	63.4	-175.4	0	0	0	0	0	110.1	P51 F357	A49-P51 WeakPolarHBondContact O-CD 3.36Å; A49-F357 HydrophobicContact CB-CD1 4Å; A49-F357 HydrophobicContact CB-CE1 4.15Å; A49-F357 WeakPolarHBondContact O-CD1 3.49Å
50	A	85.3	Confident	88.8	Confident	6 Å²	6	37.1 Å²	37.1	5%	0.05	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-58.8	122	-178	0	0	0	0	0	111.6	L46 M78 Y94 F357 M358	L46-A50 WeakPolarHBondContact O-CB 3.42Å; A50-M78 HydrophobicContact CB-CE 3.39Å; A50-M78 HydrophobicContact CB-CG 4.34Å; A50-M78 HydrophobicContact CB-SD 4.2Å; A50-Y94 HydrophobicContact CB-CE2 4.4Å; A50-F357 WeakPolarHBondContact O-CA 3.03Å; A50-M358 HydrophobicContact CB-CB 4.47Å; A50-M358 HydrophobicContact CB-CG 4.34Å; A50-M358 PolarHBondContact O-N 3.09Å
51	P	88.1	Confident	89.3	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.032	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-68.1	150.7	174.7	-19.4	33.3	0	0	0	111.6	A49 F56 F59 Y94	A49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-F56 HydrophobicContact CB-CE2 4.21Å; P51-F56 HydrophobicContact CB-CZ 4.43Å; P51-F56 HydrophobicContact CG-CZ 4.37Å; P51-F59 HydrophobicContact CB-CD2 4.25Å; P51-F59 HydrophobicContact CB-CE2 3.47Å; P51-F59 VanDerWaalsContact CB-CE2 3.47Å; P51-F59 HydrophobicContact CB-CZ 4.25Å; P51-F59 HydrophobicContact CG-CD2 4.09Å; P51-F59 HydrophobicContact CG-CE2 3.45Å; P51-F59 VanDerWaalsContact CG-CE2 3.45Å; P51-F59 HydrophobicContact CG-CZ 4.48Å; P51-Y94 WeakPolarHBondContact O-CE1 3.19Å; P51-Y94 PolarHBondContact O-OH 3Å
52	K	90.7	Very high	89.4	Confident	53 Å²	53	42 Å²	42	23%	0.23	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-66	146.2	171	-59.7	-177.8	-179.7	160.1	0	111.4	Q54 H55 D355 L356 F357 M358	K52-Q54 VanDerWaalsContact C-N 3.26Å; K52-Q54 VanDerWaalsContact CD-NE2 3.34Å; K52-Q54 PolarHBondContact O-N 3.08Å; K52-Q54 VanDerWaalsContact O-N 3.1Å; K52-H55 PolarHBondContact O-N 3.3Å; K52-D355 VanDerWaalsContact CD-O 3.25Å; K52-D355 WeakPolarHBondContact CD-O 3.34Å; K52-D355 WeakPolarHBondContact CE-O 3.27Å; K52-D355 PolarHBondContact NZ-O 2.83Å; K52-L356 PolarHBondContact N-O 3.34Å; K52-L356 VanDerWaalsContact N-O 3.13Å; K52-F357 VanDerWaalsContact CE-O 3.31Å; K52-F357 WeakPolarHBondContact CE-O 3.32Å; K52-M358 HydrophobicContact CB-CE 4.43Å; K52-M358 HydrophobicContact CG-CE 4.26Å; K52-M358 HydrophobicContact CG-SD 4.04Å
53	P	91.8	Very high	89.5	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.078	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-45.3	-45.8	-177.5	-31.2	32.7	0	0	0	114.3	H55 F56 Y94 D98 M101 M358	P53-H55 PolarHBondContact O-N 3.41Å; P53-F56 WeakPolarHBondContact O-CD2 3.47Å; P53-F56 PolarHBondContact O-N 2.87Å; P53-Y94 HydrophobicContact CG-CD1 3.9Å; P53-Y94 HydrophobicContact CG-CE1 4.01Å; P53-D98 HydrophobicContact CB-CB 4.21Å; P53-D98 WeakPolarHBondContact CB-OD1 3.28Å; P53-D98 HydrophobicContact CG-CB 3.89Å; P53-D98 WeakPolarHBondContact CG-OD1 3.21Å; P53-M101 HydrophobicContact CB-CE 3.58Å; P53-M101 WeakPolarHBondContact O-CE 3.49Å; P53-M358 VanDerWaalsContact CD-CE 3.47Å; P53-M358 HydrophobicContact CG-CE 4.34Å
54	Q	91.8	Very high	89.8	Confident	123 Å²	123	44.7 Å²	44.7	58%	0.575	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.2	-17.1	-177.4	64.4	-88.2	18.4	0	0	114.9	K52	K52-Q54 VanDerWaalsContact C-N 3.26Å; K52-Q54 VanDerWaalsContact CD-NE2 3.34Å; K52-Q54 PolarHBondContact O-N 3.08Å; K52-Q54 VanDerWaalsContact O-N 3.1Å
55	H	93.5	Very high	90	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.245	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-90.3	-15.6	-178	-63	-55.4	0	0	0	113.9	K52 P53 R57 A58 F59 L356	K52-H55 PolarHBondContact O-N 3.3Å; P53-H55 PolarHBondContact O-N 3.41Å; H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 2.88Å; H55-A58 PolarHBondContact O-N 3.21Å; H55-A58 VanDerWaalsContact O-N 3.16Å; H55-F59 HydrophobicContact CB-CE1 4.37Å; H55-F59 HydrophobicContact CB-CE2 4.39Å; H55-F59 HydrophobicContact CB-CZ 4.08Å; H55-F59 PolarHBondContact O-N 3.21Å; H55-F59 VanDerWaalsContact O-N 3.16Å; H55-L356 HydrophobicContact CB-CD1 4.28Å; H55-L356 PolarHBondContact CD2-O 3.1Å
56	F	95.4	Very high	89.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-36.1	-175.8	-83.1	-87.7	0	0	0	113.5	L44 L46 P51 P53 A58 F59 F60 Y94 I102	L44-F56 HydrophobicContact CD1-CD1 4.5Å; L44-F56 HydrophobicContact CD1-CE1 4.09Å; L46-F56 HydrophobicContact CD1-CZ 4.45Å; L46-F56 HydrophobicContact CD2-CE1 4.34Å; L46-F56 HydrophobicContact CD2-CZ 4.04Å; P51-F56 HydrophobicContact CB-CE2 4.21Å; P51-F56 HydrophobicContact CB-CZ 4.43Å; P51-F56 HydrophobicContact CG-CZ 4.37Å; P53-F56 WeakPolarHBondContact O-CD2 3.47Å; P53-F56 PolarHBondContact O-N 2.87Å; F56-A58 PolarHBondContact O-N 2.77Å; F56-F59 PolarHBondContact O-N 3.49Å; F56-F60 HydrophobicContact CB-CE2 4.11Å; F56-F60 HydrophobicContact CB-CZ 4.3Å; F56-F60 AromaticContact CD1-CE1 3.98Å; F56-F60 HydrophobicContact CD1-CE1 3.98Å; F56-F60 HydrophobicContact CD1-CE2 4.26Å; F56-F60 AromaticContact CD1-CZ 3.61Å; F56-F60 HydrophobicContact CD1-CZ 3.61Å; F56-F60 HydrophobicContact CE1-CZ 4.46Å; F56-F60 HydrophobicContact CG-CZ 4.41Å; F56-F60 WeakPolarHBondContact O-CB 3.35Å; F56-F60 WeakPolarHBondContact O-CD2 3.49Å; F56-F60 WeakPolarHBondContact O-CG 3.22Å; F56-F60 PolarHBondContact O-N 2.89Å; F56-Y94 AromaticContact CE2-CE1 3.84Å; F56-Y94 HydrophobicContact CE2-CE1 3.84Å; F56-Y94 AromaticContact CE2-CZ 3.78Å; F56-Y94 WeakPolarHBondContact CE2-OH 3.22Å; F56-Y94 HydrophobicContact CZ-CE1 4.4Å; F56-Y94 AromaticContact CZ-CZ 3.9Å; F56-Y94 WeakPolarHBondContact CZ-OH 3.37Å; F56-I102 HydrophobicContact CB-CG1 4.24Å; F56-I102 HydrophobicContact CD1-CG1 4.22Å; F56-I102 HydrophobicContact CD1-CG2 3.86Å; F56-I102 HydrophobicContact CD2-CD1 3.74Å; F56-I102 HydrophobicContact CD2-CG1 3.66Å; F56-I102 HydrophobicContact CE1-CD1 4.3Å; F56-I102 HydrophobicContact CE1-CG1 4.49Å; F56-I102 HydrophobicContact CE1-CG2 4.08Å; F56-I102 HydrophobicContact CE2-CD1 3.49Å; F56-I102 VanDerWaalsContact CE2-CD1 3.49Å; F56-I102 HydrophobicContact CE2-CG1 3.96Å; F56-I102 HydrophobicContact CG-CD1 4.23Å; F56-I102 HydrophobicContact CG-CG1 3.78Å; F56-I102 HydrophobicContact CG-CG2 4.2Å; F56-I102 HydrophobicContact CZ-CD1 3.79Å; F56-I102 HydrophobicContact CZ-CG1 4.36Å
57	R	96.2	Very high	89.8	Confident	123 Å²	123	56.1 Å²	56.1	46%	0.464	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-46.8	176.5	-171.4	170.3	-170.3	-65.9	-18.5	112	H55 F59 F60 E61 T105	H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 2.88Å; R57-F59 VanDerWaalsContact C-N 3.32Å; R57-F59 PolarHBondContact O-N 3.36Å; R57-F60 PolarHBondContact O-N 3.46Å; R57-E61 IonicContact CZ-OE1 3.08Å; R57-E61 IonicContact NH1-OE1 2.65Å; R57-E61 PolarHBondContact NH1-OE1 3.05Å; R57-E61 IonicContact NH1-OE2 3.3Å; R57-E61 PolarHBondContact NH1-OE2 2.84Å; R57-E61 IonicContact NH2-OE1 2.91Å; R57-E61 PolarHBondContact NH2-OE1 3.42Å; R57-E61 WeakPolarHBondContact O-CB 3.13Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 2.84Å; R57-T105 HydrophobicContact CB-CG2 3.72Å; R57-T105 HydrophobicContact CG-CG2 3.8Å
58	A	94.8	Very high	90.3	Very high	56 Å²	56	53.3 Å²	53.3	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-38.2	178.5	0	0	0	0	0	111.8	H55 F56 Y62	H55-A58 PolarHBondContact O-N 3.21Å; H55-A58 VanDerWaalsContact O-N 3.16Å; F56-A58 PolarHBondContact O-N 2.77Å; A58-Y62 WeakPolarHBondContact O-CB 3.38Å; A58-Y62 PolarHBondContact O-N 3.19Å
59	F	91	Very high	91.5	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.096	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-45.6	176.8	-65.8	-7.5	0	0	0	112.1	P51 H55 F56 R57 E61 Y62 F63 M303 F305 L356	P51-F59 HydrophobicContact CB-CD2 4.25Å; P51-F59 HydrophobicContact CB-CE2 3.47Å; P51-F59 VanDerWaalsContact CB-CE2 3.47Å; P51-F59 HydrophobicContact CB-CZ 4.25Å; P51-F59 HydrophobicContact CG-CD2 4.09Å; P51-F59 HydrophobicContact CG-CE2 3.45Å; P51-F59 VanDerWaalsContact CG-CE2 3.45Å; P51-F59 HydrophobicContact CG-CZ 4.48Å; H55-F59 HydrophobicContact CB-CE1 4.37Å; H55-F59 HydrophobicContact CB-CE2 4.39Å; H55-F59 HydrophobicContact CB-CZ 4.08Å; H55-F59 PolarHBondContact O-N 3.21Å; H55-F59 VanDerWaalsContact O-N 3.16Å; F56-F59 PolarHBondContact O-N 3.49Å; R57-F59 VanDerWaalsContact C-N 3.32Å; R57-F59 PolarHBondContact O-N 3.36Å; F59-E61 PolarHBondContact O-N 3.28Å; F59-Y62 WeakPolarHBondContact O-CB 3.38Å; F59-Y62 PolarHBondContact O-N 2.71Å; F59-F63 HydrophobicContact CB-CE2 4.37Å; F59-F63 HydrophobicContact CB-CZ 4.28Å; F59-F63 WeakPolarHBondContact O-CD1 3.18Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.48Å; F59-M303 HydrophobicContact CD1-CE 3.99Å; F59-M303 HydrophobicContact CE1-CE 3.19Å; F59-M303 HydrophobicContact CE1-SD 4.17Å; F59-M303 HydrophobicContact CE2-CE 3.76Å; F59-M303 HydrophobicContact CE2-SD 3.65Å; F59-M303 HydrophobicContact CZ-CE 3.05Å; F59-M303 HydrophobicContact CZ-SD 3.4Å; F59-M303 WeakPolarHBondContact CZ-SD 3.38Å; F59-F305 HydrophobicContact CD2-CE1 4.31Å; F59-F305 AromaticContact CD2-CZ 3.79Å; F59-F305 HydrophobicContact CD2-CZ 3.79Å; F59-F305 AromaticContact CE2-CZ 3.9Å; F59-F305 HydrophobicContact CE2-CZ 3.9Å; F59-F305 HydrophobicContact CG-CZ 4.13Å; F59-F305 HydrophobicContact CZ-CZ 4.42Å; F59-L356 HydrophobicContact CE1-CD1 4.44Å; F59-L356 HydrophobicContact CZ-CD1 4.08Å; F59-L356 HydrophobicContact CZ-CD2 4.31Å; F59-L356 HydrophobicContact CZ-CG 4.32Å
60	F	96	Very high	92.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-39.6	177.7	-64.3	-18.4	0	0	0	112.4	L44 F56 R57 Y62 F63 V64 I71 I102 T105 A106 L109 L111	L44-F60 HydrophobicContact CD1-CE1 3.79Å; L44-F60 HydrophobicContact CD1-CZ 4.45Å; F56-F60 HydrophobicContact CB-CE2 4.11Å; F56-F60 HydrophobicContact CB-CZ 4.3Å; F56-F60 AromaticContact CD1-CE1 3.98Å; F56-F60 HydrophobicContact CD1-CE1 3.98Å; F56-F60 HydrophobicContact CD1-CE2 4.26Å; F56-F60 AromaticContact CD1-CZ 3.61Å; F56-F60 HydrophobicContact CD1-CZ 3.61Å; F56-F60 HydrophobicContact CE1-CZ 4.46Å; F56-F60 HydrophobicContact CG-CZ 4.41Å; F56-F60 WeakPolarHBondContact O-CB 3.35Å; F56-F60 WeakPolarHBondContact O-CD2 3.49Å; F56-F60 WeakPolarHBondContact O-CG 3.22Å; F56-F60 PolarHBondContact O-N 2.89Å; R57-F60 PolarHBondContact O-N 3.46Å; F60-Y62 VanDerWaalsContact C-N 3.29Å; F60-Y62 PolarHBondContact O-N 3.42Å; F60-F63 AromaticContact CD1-CD2 3.85Å; F60-F63 HydrophobicContact CD1-CD2 3.85Å; F60-F63 HydrophobicContact CD1-CE2 4.02Å; F60-F63 HydrophobicContact CE1-CE2 4.37Å; F60-F63 PolarHBondContact O-N 2.9Å; F60-V64 WeakPolarHBondContact O-CG2 3.44Å; F60-V64 PolarHBondContact O-N 3.49Å; F60-I71 HydrophobicContact CD1-CD1 4.2Å; F60-I71 HydrophobicContact CD1-CG2 4.24Å; F60-I71 HydrophobicContact CE1-CD1 3.39Å; F60-I71 HydrophobicContact CE1-CG2 4.1Å; F60-I71 HydrophobicContact CE2-CD1 4.1Å; F60-I71 HydrophobicContact CZ-CD1 3.32Å; F60-I102 HydrophobicContact CE2-CG2 4.09Å; F60-I102 WeakPolarHBondContact CE2-O 3.27Å; F60-I102 HydrophobicContact CZ-CG2 3.86Å; F60-T105 HydrophobicContact CD2-CG2 3.87Å; F60-T105 HydrophobicContact CE2-CG2 4.47Å; F60-A106 HydrophobicContact CD2-CB 3.99Å; F60-A106 HydrophobicContact CE2-CB 3.73Å; F60-A106 HydrophobicContact CZ-CB 4.21Å; F60-L109 HydrophobicContact CB-CD1 3.36Å; F60-L109 HydrophobicContact CG-CD1 4.48Å; F60-L111 HydrophobicContact CB-CD1 3.69Å; F60-L111 HydrophobicContact CD1-CD1 4.18Å; F60-L111 HydrophobicContact CG-CD1 3.99Å
61	E	96.7	Very high	93	Very high	71 Å²	71	49.2 Å²	49.2	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-39.9	172.3	-75	-179.7	145.8	0	0	111.7	R57 F59 V64 R65 L109	R57-E61 IonicContact CZ-OE1 3.08Å; R57-E61 IonicContact NH1-OE1 2.65Å; R57-E61 PolarHBondContact NH1-OE1 3.05Å; R57-E61 IonicContact NH1-OE2 3.3Å; R57-E61 PolarHBondContact NH1-OE2 2.84Å; R57-E61 IonicContact NH2-OE1 2.91Å; R57-E61 PolarHBondContact NH2-OE1 3.42Å; R57-E61 WeakPolarHBondContact O-CB 3.13Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 2.84Å; F59-E61 PolarHBondContact O-N 3.28Å; E61-V64 PolarHBondContact O-N 2.94Å; E61-R65 VanDerWaalsContact O-CG 3.28Å; E61-R65 WeakPolarHBondContact O-CG 3.22Å; E61-R65 PolarHBondContact O-N 2.69Å; E61-L109 HydrophobicContact CG-CD1 3.96Å; E61-L109 HydrophobicContact CG-CD2 4Å
62	Y	93.2	Very high	93.3	Very high	102 Å²	102	49 Å²	49	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-44.9	172.5	176.7	-103.3	0	0	0	112	A58 F59 F60 V64 R65 I66	A58-Y62 WeakPolarHBondContact O-CB 3.38Å; A58-Y62 PolarHBondContact O-N 3.19Å; F59-Y62 WeakPolarHBondContact O-CB 3.38Å; F59-Y62 PolarHBondContact O-N 2.71Å; F60-Y62 VanDerWaalsContact C-N 3.29Å; F60-Y62 PolarHBondContact O-N 3.42Å; Y62-V64 PolarHBondContact O-N 3.24Å; Y62-R65 WeakPolarHBondContact O-CB 3.49Å; Y62-R65 PolarHBondContact O-N 2.91Å; Y62-R65 VanDerWaalsContact O-N 3.1Å; Y62-I66 HydrophobicContact CD2-CG2 4.44Å; Y62-I66 HydrophobicContact CE1-CD1 4.07Å; Y62-I66 HydrophobicContact CE1-CG2 4.13Å; Y62-I66 HydrophobicContact CE2-CG2 3.89Å; Y62-I66 PolarHBondContact O-N 3.41Å
63	F	92.1	Very high	93.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-44.9	176.8	-62.3	-19.8	0	0	0	112	V42 L44 F59 F60 R65 I66 G67 A68 I71 F305	V42-F63 HydrophobicContact CB-CD2 4.1Å; V42-F63 HydrophobicContact CB-CE2 4.13Å; V42-F63 HydrophobicContact CB-CG 4.35Å; V42-F63 HydrophobicContact CB-CZ 4.4Å; V42-F63 HydrophobicContact CG1-CD1 4.3Å; V42-F63 HydrophobicContact CG1-CD2 4.31Å; V42-F63 HydrophobicContact CG1-CE1 3.92Å; V42-F63 HydrophobicContact CG1-CE2 3.93Å; V42-F63 HydrophobicContact CG1-CZ 3.73Å; V42-F63 HydrophobicContact CG2-CB 4.16Å; V42-F63 HydrophobicContact CG2-CD1 4.07Å; V42-F63 HydrophobicContact CG2-CD2 4.04Å; V42-F63 HydrophobicContact CG2-CE2 4.5Å; V42-F63 HydrophobicContact CG2-CG 3.84Å; L44-F63 HydrophobicContact CD1-CE2 4.32Å; L44-F63 HydrophobicContact CD2-CE2 3.88Å; L44-F63 HydrophobicContact CD2-CZ 3.85Å; L44-F63 HydrophobicContact CG-CE2 4.39Å; F59-F63 HydrophobicContact CB-CE2 4.37Å; F59-F63 HydrophobicContact CB-CZ 4.28Å; F59-F63 WeakPolarHBondContact O-CD1 3.18Å; F59-F63 WeakPolarHBondContact O-CG 3.26Å; F59-F63 PolarHBondContact O-N 3.48Å; F60-F63 AromaticContact CD1-CD2 3.85Å; F60-F63 HydrophobicContact CD1-CD2 3.85Å; F60-F63 HydrophobicContact CD1-CE2 4.02Å; F60-F63 HydrophobicContact CE1-CE2 4.37Å; F60-F63 PolarHBondContact O-N 2.9Å; F63-R65 VanDerWaalsContact C-N 3.32Å; F63-R65 PolarHBondContact O-N 3.31Å; F63-I66 HydrophobicContact CD1-CD1 4.41Å; F63-I66 WeakPolarHBondContact O-CG1 3.46Å; F63-I66 PolarHBondContact O-N 2.93Å; F63-G67 PolarHBondContact O-N 3.1Å; F63-G67 VanDerWaalsContact O-N 3.17Å; F63-A68 HydrophobicContact CB-CB 3.8Å; F63-A68 VanDerWaalsContact O-CB 3.23Å; F63-A68 WeakPolarHBondContact O-CB 3.45Å; F63-A68 PolarHBondContact O-N 2.88Å; F63-I71 HydrophobicContact CD2-CG2 3.91Å; F63-I71 HydrophobicContact CE2-CG2 4.32Å; F63-F305 HydrophobicContact CE1-CD2 4.19Å; F63-F305 HydrophobicContact CE1-CE2 4.22Å; F63-F305 HydrophobicContact CE1-CG 4.33Å; F63-F305 HydrophobicContact CE1-CZ 4.44Å; F63-F305 AromaticContact CZ-CD1 3.99Å; F63-F305 HydrophobicContact CZ-CD1 3.99Å; F63-F305 HydrophobicContact CZ-CD2 4.38Å; F63-F305 AromaticContact CZ-CE1 3.91Å; F63-F305 HydrophobicContact CZ-CE1 3.91Å; F63-F305 HydrophobicContact CZ-CE2 4.28Å; F63-F305 HydrophobicContact CZ-CG 4.23Å; F63-F305 HydrophobicContact CZ-CZ 4.05Å
64	V	95	Very high	93.7	Very high	61 Å²	61	46.2 Å²	46.2	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-43.6	174	172	0	0	0	0	111.1	F60 E61 Y62 I66 G67 L109 L111	F60-V64 WeakPolarHBondContact O-CG2 3.44Å; F60-V64 PolarHBondContact O-N 3.49Å; E61-V64 PolarHBondContact O-N 2.94Å; Y62-V64 PolarHBondContact O-N 3.24Å; V64-I66 VanDerWaalsContact C-N 3.33Å; V64-I66 PolarHBondContact O-N 2.78Å; V64-G67 WeakPolarHBondContact O-CA 3.02Å; V64-G67 PolarHBondContact O-N 2.78Å; V64-L109 HydrophobicContact CG2-CB 4.21Å; V64-L111 HydrophobicContact CG2-CD1 4.14Å; V64-L111 HydrophobicContact CG2-CD2 3.82Å; V64-L111 HydrophobicContact CG2-CG 3.94Å
65	R	94.4	Very high	93.9	Very high	192 Å²	192	40.4 Å²	40.4	73%	0.725	20%	0.198	S	C	*	.	H	α-helix	trans	-63.1	-35.4	179.4	-75.8	172.9	61.3	-136.1	-4.4	113.5	E61 Y62 F63 G67	E61-R65 VanDerWaalsContact O-CG 3.28Å; E61-R65 WeakPolarHBondContact O-CG 3.22Å; E61-R65 PolarHBondContact O-N 2.69Å; Y62-R65 WeakPolarHBondContact O-CB 3.49Å; Y62-R65 PolarHBondContact O-N 2.91Å; Y62-R65 VanDerWaalsContact O-N 3.1Å; F63-R65 VanDerWaalsContact C-N 3.32Å; F63-R65 PolarHBondContact O-N 3.31Å; R65-G67 PolarHBondContact O-N 3.49Å
66	I	88	Confident	93.9	Very high	82 Å²	82	38.8 Å²	38.8	42%	0.421	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.3	174.1	67.1	170.5	0	0	0	112.7	Y62 F63 V64 L307	Y62-I66 HydrophobicContact CD2-CG2 4.44Å; Y62-I66 HydrophobicContact CE1-CD1 4.07Å; Y62-I66 HydrophobicContact CE1-CG2 4.13Å; Y62-I66 HydrophobicContact CE2-CG2 3.89Å; Y62-I66 PolarHBondContact O-N 3.41Å; F63-I66 HydrophobicContact CD1-CD1 4.41Å; F63-I66 WeakPolarHBondContact O-CG1 3.46Å; F63-I66 PolarHBondContact O-N 2.93Å; V64-I66 VanDerWaalsContact C-N 3.33Å; V64-I66 PolarHBondContact O-N 2.78Å; I66-L307 HydrophobicContact CD1-CD1 4.09Å
67	G	89.3	Confident	93.9	Very high	25 Å²	25	39.7 Å²	39.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	14.1	172.7	0	0	0	0	0	115	R40 F63 V64 R65	R40-G67 PolarHBondContact NE-O 3.27Å; R40-G67 PolarHBondContact NH2-O 2.86Å; F63-G67 PolarHBondContact O-N 3.1Å; F63-G67 VanDerWaalsContact O-N 3.17Å; V64-G67 WeakPolarHBondContact O-CA 3.02Å; V64-G67 PolarHBondContact O-N 2.78Å; R65-G67 PolarHBondContact O-N 3.49Å
68	A	90.4	Very high	93.9	Very high	13 Å²	13	34 Å²	34	11%	0.107	17%	0.174	C	C	.	.			trans	-59.9	147.2	171.8	0	0	0	0	0	111.3	R40 V42 F63 L111	R40-A68 CarbonylContact O-C 3.55Å; R40-A68 WeakPolarHBondContact O-CA 3.49Å; V42-A68 HydrophobicContact CG2-CB 3.68Å; F63-A68 HydrophobicContact CB-CB 3.8Å; F63-A68 VanDerWaalsContact O-CB 3.23Å; F63-A68 WeakPolarHBondContact O-CB 3.45Å; F63-A68 PolarHBondContact O-N 2.88Å; A68-L111 HydrophobicContact CB-CD2 4.25Å
69	T	94.2	Very high	94	Very high	38 Å²	38	31.4 Å²	31.4	23%	0.233	15%	0.152	C	C	.	.			trans	-113.3	-4.3	177.2	65.5	0	0	0	0	112.5	R39 R40 E112	R39-T69 WeakPolarHBondContact CA-OG1 3.23Å; R40-T69 PolarHBondContact N-OG1 2.76Å; R40-T69 VanDerWaalsContact NH2-CG2 3.3Å; R40-T69 PolarHBondContact O-N 3.33Å; R40-T69 PolarHBondContact O-OG1 2.89Å; T69-E112 PolarHBondContact O-N 3.46Å
70	G	95.5	Very high	94.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	178.5	179.3	0	0	0	0	0	112.6	R40 I41 V42 E112	R40-G70 PolarHBondContact O-N 3.39Å; I41-G70 CarbonylContact C-O 3.54Å; I41-G70 VanDerWaalsContact CA-O 3.31Å; I41-G70 WeakPolarHBondContact CA-O 3.42Å; V42-G70 PolarHBondContact N-O 3.23Å; G70-E112 CarbonylContact C-O 3.45Å; G70-E112 WeakPolarHBondContact CA-O 3.38Å
71	I	95.3	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.1	180	58.6	179.2	0	0	0	110	I41 V42 F60 F63 I73 A106 L111 E112 V113 I114	I41-I71 VanDerWaalsContact CG2-C 3.46Å; V42-I71 HydrophobicContact CB-CG2 4.45Å; V42-I71 CarbonylContact O-C 3.58Å; V42-I71 VanDerWaalsContact O-CA 3.24Å; V42-I71 WeakPolarHBondContact O-CA 3.38Å; F60-I71 HydrophobicContact CD1-CD1 4.2Å; F60-I71 HydrophobicContact CD1-CG2 4.24Å; F60-I71 HydrophobicContact CE1-CD1 3.39Å; F60-I71 HydrophobicContact CE1-CG2 4.1Å; F60-I71 HydrophobicContact CE2-CD1 4.1Å; F60-I71 HydrophobicContact CZ-CD1 3.32Å; F63-I71 HydrophobicContact CD2-CG2 3.91Å; F63-I71 HydrophobicContact CE2-CG2 4.32Å; I71-I73 HydrophobicContact CD1-CD1 3.76Å; I71-I73 HydrophobicContact CD1-CG1 4.06Å; I71-I73 HydrophobicContact CG1-CD1 4.31Å; I71-I73 HydrophobicContact CG1-CG1 4.19Å; I71-A106 HydrophobicContact CD1-CB 3.5Å; I71-A106 VanDerWaalsContact CD1-CB 3.5Å; I71-A106 HydrophobicContact CG1-CB 4.37Å; I71-L111 HydrophobicContact CG2-CD1 4.12Å; I71-E112 PolarHBondContact N-O 2.89Å; I71-V113 HydrophobicContact CD1-CG2 4.2Å; I71-V113 HydrophobicContact CG1-CB 4.47Å; I71-V113 HydrophobicContact CG1-CG1 4.36Å; I71-V113 HydrophobicContact CG1-CG2 4.12Å; I71-I114 PolarHBondContact O-N 2.81Å
72	L	95.2	Very high	94.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127	166.6	179.8	81.9	0	0	0	106.8	I41 V42 H43 L44 I114 L116 H175 Y310	I41-L72 HydrophobicContact CG2-CB 3.84Å; I41-L72 VanDerWaalsContact CG2-N 3.28Å; V42-L72 PolarHBondContact O-N 3.44Å; H43-L72 CarbonylContact C-O 3.45Å; H43-L72 WeakPolarHBondContact CA-O 3.41Å; H43-L72 HydrophobicContact CB-CB 4.21Å; H43-L72 HydrophobicContact CB-CD2 3.98Å; L44-L72 PolarHBondContact N-O 2.94Å; L72-I114 CarbonylContact C-O 3.49Å; L72-I114 VanDerWaalsContact CA-O 3.24Å; L72-I114 WeakPolarHBondContact CA-O 3.3Å; L72-I114 HydrophobicContact CD1-CB 3.7Å; L72-I114 HydrophobicContact CD1-CG2 3.43Å; L72-I114 VanDerWaalsContact CD1-CG2 3.43Å; L72-I114 WeakPolarHBondContact CD1-O 3.24Å; L72-L116 HydrophobicContact CD1-CB 4.09Å; L72-L116 HydrophobicContact CD2-CB 4.39Å; L72-L116 HydrophobicContact CD2-CD1 3.8Å; L72-L116 HydrophobicContact CG-CB 4.18Å; L72-L116 HydrophobicContact CG-CD1 4.48Å; L72-H175 HydrophobicContact CD1-CB 3.75Å; L72-Y310 HydrophobicContact CB-CE2 4.35Å; L72-Y310 HydrophobicContact CD2-CE2 3.81Å; L72-Y310 WeakPolarHBondContact CD2-OH 3.28Å
73	I	95.8	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.3	-178.2	-48.3	176.5	0	0	0	109.7	L46 I71 W75 I102 L103 V113 I114 L116	L46-I73 HydrophobicContact CD1-CG2 3.42Å; L46-I73 VanDerWaalsContact CD1-CG2 3.42Å; L46-I73 HydrophobicContact CG-CG2 4.1Å; I71-I73 HydrophobicContact CD1-CD1 3.76Å; I71-I73 HydrophobicContact CD1-CG1 4.06Å; I71-I73 HydrophobicContact CG1-CD1 4.31Å; I71-I73 HydrophobicContact CG1-CG1 4.19Å; I73-W75 HydrophobicContact CB-CZ2 4.18Å; I73-W75 HydrophobicContact CD1-CH2 4.43Å; I73-W75 HydrophobicContact CD1-CZ2 3.83Å; I73-W75 HydrophobicContact CG2-CD2 3.74Å; I73-W75 HydrophobicContact CG2-CE3 4.22Å; I73-W75 HydrophobicContact CG2-CG 4.23Å; I73-W75 HydrophobicContact CG2-CH2 4.06Å; I73-W75 HydrophobicContact CG2-CZ2 3.57Å; I73-W75 HydrophobicContact CG2-CZ3 4.35Å; I73-I102 HydrophobicContact CD1-CG2 4.3Å; I73-L103 HydrophobicContact CD1-CD2 4.21Å; I73-V113 HydrophobicContact CD1-CG1 3.94Å; I73-V113 HydrophobicContact CG1-CG1 4.44Å; I73-I114 PolarHBondContact N-O 3.16Å; I73-L116 PolarHBondContact O-N 3.5Å
74	E	95.2	Very high	94.7	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114	171.5	179.4	173.2	-169.2	0	0	109	H43 L44 L46 K47 E76 L116 Q118	H43-E74 IonicContact CE1-OE2 3.64Å; H43-E74 PolarHBondContact CE1-OE2 3.01Å; H43-E74 IonicContact NE2-OE2 3.41Å; H43-E74 PolarHBondContact NE2-OE2 3.48Å; L44-E74 PolarHBondContact O-N 3.01Å; L46-E74 WeakPolarHBondContact CB-O 3.39Å; L46-E74 PolarHBondContact N-O 3.45Å; K47-E74 VanDerWaalsContact NZ-CD 3.32Å; K47-E74 IonicContact NZ-OE1 2.7Å; K47-E74 PolarHBondContact NZ-OE1 2.87Å; K47-E74 IonicContact NZ-OE2 2.72Å; E74-E76 HydrophobicContact CG-CG 4.4Å; E74-L116 HydrophobicContact CB-CB 4.03Å; E74-L116 HydrophobicContact CB-CD2 4.28Å; E74-L116 HydrophobicContact CG-CD2 3.85Å; E74-Q118 PolarHBondContact OE1-NE2 2.59Å
75	W	95	Very high	94.7	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.172	C	C	.	.			trans	-95	-43.1	-169.7	-62.4	95.7	0	0	0	114.5	L46 I73 D77 M78 F79 Y94 V99 I102 L103 H167	L46-W75 HydrophobicContact CD1-CD2 4.17Å; L46-W75 HydrophobicContact CD1-CE3 3.54Å; L46-W75 HydrophobicContact CD1-CH2 4.3Å; L46-W75 HydrophobicContact CD1-CZ3 3.61Å; I73-W75 HydrophobicContact CB-CZ2 4.18Å; I73-W75 HydrophobicContact CD1-CH2 4.43Å; I73-W75 HydrophobicContact CD1-CZ2 3.83Å; I73-W75 HydrophobicContact CG2-CD2 3.74Å; I73-W75 HydrophobicContact CG2-CE3 4.22Å; I73-W75 HydrophobicContact CG2-CG 4.23Å; I73-W75 HydrophobicContact CG2-CH2 4.06Å; I73-W75 HydrophobicContact CG2-CZ2 3.57Å; I73-W75 HydrophobicContact CG2-CZ3 4.35Å; W75-D77 PolarHBondContact O-N 3.5Å; W75-M78 WeakPolarHBondContact O-CB 3.41Å; W75-M78 PolarHBondContact O-N 2.85Å; W75-F79 HydrophobicContact CB-CB 3.85Å; W75-F79 HydrophobicContact CB-CD2 3.9Å; W75-F79 HydrophobicContact CB-CG 4.28Å; W75-F79 AromaticContact CD2-CD2 3.75Å; W75-F79 HydrophobicContact CD2-CD2 3.75Å; W75-F79 HydrophobicContact CD2-CE2 4.37Å; W75-F79 HydrophobicContact CE3-CD2 4.13Å; W75-F79 AromaticContact CG-CD2 3.66Å; W75-F79 HydrophobicContact CG-CD2 3.66Å; W75-F79 HydrophobicContact CG-CE2 4.41Å; W75-F79 HydrophobicContact CG-CG 4.49Å; W75-Y94 HydrophobicContact CE3-CD2 4.13Å; W75-Y94 AromaticContact CZ3-CD2 3.8Å; W75-Y94 HydrophobicContact CZ3-CD2 3.8Å; W75-Y94 HydrophobicContact CZ3-CE2 4.21Å; W75-Y94 HydrophobicContact CZ3-CG 4.47Å; W75-V99 HydrophobicContact CE3-CG2 4.47Å; W75-V99 HydrophobicContact CH2-CB 4.43Å; W75-V99 HydrophobicContact CH2-CG1 4.05Å; W75-V99 HydrophobicContact CH2-CG2 4.07Å; W75-V99 HydrophobicContact CZ2-CG1 4.17Å; W75-V99 HydrophobicContact CZ3-CG2 3.89Å; W75-I102 HydrophobicContact CH2-CD1 4.16Å; W75-I102 HydrophobicContact CH2-CG2 4.21Å; W75-I102 HydrophobicContact CZ3-CD1 4.29Å; W75-L103 HydrophobicContact CZ2-CD2 4.27Å; W75-H167 AromaticContact CE2-NE2 3.6Å; W75-H167 AromaticContact CZ2-NE2 3.72Å; W75-H167 AromaticContact NE1-CE1 3.55Å; W75-H167 AromaticContact NE1-NE2 3.06Å; W75-H167 PolarHBondContact NE1-NE2 3.02Å
76	E	94.2	Very high	94.8	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.084	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	39.9	-129.7	-170.3	-66.6	-169.2	-166	0	0	113.6	K47 E74 M78 F79 Y81 W125	K47-E76 HydrophobicContact CB-CB 4.32Å; K47-E76 HydrophobicContact CD-CG 4.36Å; K47-E76 WeakPolarHBondContact CD-OE1 3.2Å; K47-E76 WeakPolarHBondContact CD-OE2 3.43Å; K47-E76 IonicContact NZ-OE1 2.64Å; E74-E76 HydrophobicContact CG-CG 4.4Å; E76-M78 PolarHBondContact O-N 2.91Å; E76-F79 WeakPolarHBondContact O-CB 3.17Å; E76-F79 PolarHBondContact O-N 3.44Å; E76-Y81 WeakPolarHBondContact O-CE2 3.43Å; E76-W125 HydrophobicContact CB-CG 4.46Å
77	D	94.8	Very high	95	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.102	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-72.1	-8.6	-176.6	68	-21.2	0	0	0	113.9	W75 F79 R89 N90 W125	W75-D77 PolarHBondContact O-N 3.5Å; D77-F79 VanDerWaalsContact C-N 3.26Å; D77-F79 PolarHBondContact O-N 3.43Å; D77-R89 WeakPolarHBondContact O-CA 3.07Å; D77-N90 HydrophobicContact CB-CB 4.43Å; D77-N90 PolarHBondContact O-N 2.83Å; D77-N90 PolarHBondContact OD2-ND2 3.19Å; D77-W125 HydrophobicContact CB-CB 4.16Å; D77-W125 HydrophobicContact CB-CD2 4.06Å; D77-W125 HydrophobicContact CB-CE3 3.8Å; D77-W125 HydrophobicContact CB-CG 4.23Å
78	M	95.8	Very high	95.2	Very high	5 Å²	5	27 Å²	27	3%	0.025	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-78.4	-8.5	172	-64.9	-65	-60.7	0	0	113.2	L46 A50 W75 E76 N90 D92 Y94 M358	L46-M78 HydrophobicContact CB-CB 4.48Å; L46-M78 WeakPolarHBondContact O-CG 3.35Å; A50-M78 HydrophobicContact CB-CE 3.39Å; A50-M78 HydrophobicContact CB-CG 4.34Å; A50-M78 HydrophobicContact CB-SD 4.2Å; W75-M78 WeakPolarHBondContact O-CB 3.41Å; W75-M78 PolarHBondContact O-N 2.85Å; E76-M78 PolarHBondContact O-N 2.91Å; M78-N90 HydrophobicContact SD-CB 3.64Å; M78-D92 WeakPolarHBondContact CE-O 3.48Å; M78-Y94 HydrophobicContact CB-CD2 4.01Å; M78-Y94 HydrophobicContact CB-CE2 4.09Å; M78-Y94 HydrophobicContact CE-CD2 4.13Å; M78-Y94 HydrophobicContact CE-CE2 3.85Å; M78-Y94 WeakPolarHBondContact O-CD2 3.34Å; M78-Y94 PolarHBondContact O-N 3.34Å; M78-M358 HydrophobicContact CE-CG 4.39Å
79	F	97.7	Very high	95.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-75.7	143.1	176.8	-161.3	-103.6	0	0	0	112.1	W75 E76 D77 Y81 R89 V99 Q162 V163 F166	W75-F79 HydrophobicContact CB-CB 3.85Å; W75-F79 HydrophobicContact CB-CD2 3.9Å; W75-F79 HydrophobicContact CB-CG 4.28Å; W75-F79 AromaticContact CD2-CD2 3.75Å; W75-F79 HydrophobicContact CD2-CD2 3.75Å; W75-F79 HydrophobicContact CD2-CE2 4.37Å; W75-F79 HydrophobicContact CE3-CD2 4.13Å; W75-F79 AromaticContact CG-CD2 3.66Å; W75-F79 HydrophobicContact CG-CD2 3.66Å; W75-F79 HydrophobicContact CG-CE2 4.41Å; W75-F79 HydrophobicContact CG-CG 4.49Å; E76-F79 WeakPolarHBondContact O-CB 3.17Å; E76-F79 PolarHBondContact O-N 3.44Å; D77-F79 VanDerWaalsContact C-N 3.26Å; D77-F79 PolarHBondContact O-N 3.43Å; F79-Y81 HydrophobicContact CB-CD2 4.01Å; F79-Y81 HydrophobicContact CB-CE1 4.34Å; F79-Y81 HydrophobicContact CB-CE2 3.72Å; F79-Y81 HydrophobicContact CB-CG 4.46Å; F79-Y81 AromaticContact CD1-CD1 3.59Å; F79-Y81 HydrophobicContact CD1-CD1 3.59Å; F79-Y81 HydrophobicContact CD1-CD2 4.37Å; F79-Y81 AromaticContact CD1-CE1 3.58Å; F79-Y81 HydrophobicContact CD1-CE1 3.58Å; F79-Y81 HydrophobicContact CD1-CE2 4.39Å; F79-Y81 AromaticContact CD1-CG 3.98Å; F79-Y81 HydrophobicContact CD1-CG 3.98Å; F79-Y81 AromaticContact CD1-CZ 3.98Å; F79-Y81 HydrophobicContact CE1-CD1 4.28Å; F79-Y81 HydrophobicContact CE1-CE1 4.3Å; F79-Y81 HydrophobicContact CG-CE1 4.26Å; F79-Y81 HydrophobicContact CG-CE2 4.48Å; F79-Y81 PolarHBondContact O-N 3.1Å; F79-R89 WeakPolarHBondContact O-CG 3.43Å; F79-V99 HydrophobicContact CE2-CG1 4.1Å; F79-V99 HydrophobicContact CE2-CG2 4.45Å; F79-Q162 HydrophobicContact CE1-CB 4.39Å; F79-V163 HydrophobicContact CD1-CG2 4.17Å; F79-V163 HydrophobicContact CD2-CG2 4.26Å; F79-V163 HydrophobicContact CE1-CG2 4.1Å; F79-V163 HydrophobicContact CE2-CG1 4.48Å; F79-V163 HydrophobicContact CE2-CG2 4.2Å; F79-V163 HydrophobicContact CG-CG2 4.25Å; F79-V163 HydrophobicContact CZ-CB 4.35Å; F79-V163 HydrophobicContact CZ-CG2 4.12Å; F79-F166 HydrophobicContact CE1-CD2 4.25Å; F79-F166 HydrophobicContact CE1-CE2 4.28Å; F79-F166 HydrophobicContact CE2-CD2 4.48Å; F79-F166 HydrophobicContact CZ-CB 4.44Å; F79-F166 AromaticContact CZ-CD2 3.55Å; F79-F166 HydrophobicContact CZ-CD2 3.55Å; F79-F166 AromaticContact CZ-CE2 3.95Å; F79-F166 HydrophobicContact CZ-CE2 3.95Å; F79-F166 HydrophobicContact CZ-CG 4.11Å
80	P	97.4	Very high	95.3	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.052	17%	0.165	C	C	.	.			trans	-73.5	58.6	175.2	27.9	-33.7	0	0	0	113.1	Y94 V99 F166	P80-Y94 VanDerWaalsContact CB-O 3.24Å; P80-Y94 WeakPolarHBondContact CB-O 3.19Å; P80-V99 VanDerWaalsContact CD-CG2 3.46Å; P80-V99 HydrophobicContact CG-CB 4.47Å; P80-V99 HydrophobicContact CG-CG2 3.69Å; P80-F166 HydrophobicContact CG-CZ 4.43Å
81	Y	98	Very high	95.1	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.02	21%	0.205	C	C	.	.			trans	-58.7	147.8	176.3	-67.7	-64.8	0	0	0	112.4	E76 F79 L85 R89 W125 L159 Q162 V163	E76-Y81 WeakPolarHBondContact O-CE2 3.43Å; F79-Y81 HydrophobicContact CB-CD2 4.01Å; F79-Y81 HydrophobicContact CB-CE1 4.34Å; F79-Y81 HydrophobicContact CB-CE2 3.72Å; F79-Y81 HydrophobicContact CB-CG 4.46Å; F79-Y81 AromaticContact CD1-CD1 3.59Å; F79-Y81 HydrophobicContact CD1-CD1 3.59Å; F79-Y81 HydrophobicContact CD1-CD2 4.37Å; F79-Y81 AromaticContact CD1-CE1 3.58Å; F79-Y81 HydrophobicContact CD1-CE1 3.58Å; F79-Y81 HydrophobicContact CD1-CE2 4.39Å; F79-Y81 AromaticContact CD1-CG 3.98Å; F79-Y81 HydrophobicContact CD1-CG 3.98Å; F79-Y81 AromaticContact CD1-CZ 3.98Å; F79-Y81 HydrophobicContact CE1-CD1 4.28Å; F79-Y81 HydrophobicContact CE1-CE1 4.3Å; F79-Y81 HydrophobicContact CG-CE1 4.26Å; F79-Y81 HydrophobicContact CG-CE2 4.48Å; F79-Y81 PolarHBondContact O-N 3.1Å; Y81-L85 HydrophobicContact CD1-CD1 4.03Å; Y81-L85 HydrophobicContact CG-CB 4.13Å; Y81-L85 HydrophobicContact CG-CD1 4.35Å; Y81-R89 WeakPolarHBondContact O-CD 3.42Å; Y81-W125 HydrophobicContact CD2-CH2 4.07Å; Y81-W125 HydrophobicContact CD2-CZ3 4.3Å; Y81-W125 AromaticContact CE2-CH2 3.43Å; Y81-W125 HydrophobicContact CE2-CH2 3.43Å; Y81-W125 VanDerWaalsContact CE2-CH2 3.43Å; Y81-W125 HydrophobicContact CE2-CZ2 4.12Å; Y81-W125 HydrophobicContact CE2-CZ3 4.03Å; Y81-L159 HydrophobicContact CD1-CD2 4.22Å; Y81-L159 HydrophobicContact CE1-CD2 3.66Å; Y81-L159 HydrophobicContact CE2-CD2 4.19Å; Y81-Q162 VanDerWaalsContact CA-OE1 3.3Å; Y81-Q162 HydrophobicContact CD1-CB 4Å; Y81-Q162 HydrophobicContact CE1-CB 4.24Å; Y81-V163 HydrophobicContact CE1-CG2 4.13Å
82	K	97.3	Very high	94.8	Very high	124 Å²	124	37.5 Å²	37.5	54%	0.539	22%	0.216	S	C	.	.			trans	-115.5	168.3	-178.7	-62.3	-176.7	-179.7	-179.7	0	111.8	L85 Q162	K82-L85 PolarHBondContact O-N 3.18Å; K82-Q162 PolarHBondContact O-NE2 3.03Å; K82-Q162 VanDerWaalsContact O-NE2 3.08Å
83	G	96.2	Very high	94.8	Very high	54 Å²	54	38.7 Å²	38.7	56%	0.557	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	64.1	-135.7	173.9	0	0	0	0	0	111.4	L85 S86	G83-L85 PolarHBondContact O-N 2.91Å; G83-S86 WeakPolarHBondContact O-CB 3.31Å; G83-S86 PolarHBondContact O-N 3.42Å; G83-S86 PolarHBondContact O-OG 3.02Å
84	Q	93.4	Very high	94.9	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-61	-14.8	-177.3	65.7	176.9	-30.6	0	0	115.2	K131 L155	Q84-K131 PolarHBondContact O-NZ 3.22Å; Q84-L155 HydrophobicContact CG-CD1 4.39Å
85	L	95.7	Very high	95	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-95	-7.8	178.9	-65.7	169.6	0	0	0	113	Y81 K82 G83 D87 L88 L126 L155 L159	Y81-L85 HydrophobicContact CD1-CD1 4.03Å; Y81-L85 HydrophobicContact CG-CB 4.13Å; Y81-L85 HydrophobicContact CG-CD1 4.35Å; K82-L85 PolarHBondContact O-N 3.18Å; G83-L85 PolarHBondContact O-N 2.91Å; L85-D87 PolarHBondContact O-N 2.71Å; L85-L88 HydrophobicContact CB-CD1 4.47Å; L85-L88 HydrophobicContact CD2-CD1 3.53Å; L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-L88 VanDerWaalsContact O-N 3.13Å; L85-L126 HydrophobicContact CD2-CD1 4.2Å; L85-L155 HydrophobicContact CD2-CD1 3.86Å; L85-L155 HydrophobicContact CD2-CG 4.49Å; L85-L155 HydrophobicContact CG-CD1 4.33Å; L85-L159 HydrophobicContact CD1-CD2 3.49Å; L85-L159 VanDerWaalsContact CD1-CD2 3.49Å; L85-L159 HydrophobicContact CD1-CG 4.25Å; L85-L159 HydrophobicContact CD2-CD2 3.9Å; L85-L159 HydrophobicContact CG-CD2 4.33Å
86	S	95.7	Very high	95.1	Very high	31 Å²	31	42 Å²	42	22%	0.217	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.9	-175.5	59.2	0	0	0	0	113.8	G83 L88 R89	G83-S86 WeakPolarHBondContact O-CB 3.31Å; G83-S86 PolarHBondContact O-N 3.42Å; G83-S86 PolarHBondContact O-OG 3.02Å; S86-L88 PolarHBondContact O-N 3.44Å; S86-R89 WeakPolarHBondContact O-CG 3.47Å; S86-R89 PolarHBondContact O-NE 2.79Å
87	D	92.6	Very high	95.3	Very high	128 Å²	128	46.5 Å²	46.5	68%	0.684	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-80.4	-8.6	-177.2	-52.2	-24	0	0	0	112.3	L85	L85-D87 PolarHBondContact O-N 2.71Å
88	L	93.5	Very high	95.5	Very high	20 Å²	20	47.7 Å²	47.7	11%	0.105	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-93.2	-10	179.3	-55.1	177.1	0	0	0	113.2	L85 S86 W125 L126 T129 F132	L85-L88 HydrophobicContact CB-CD1 4.47Å; L85-L88 HydrophobicContact CD2-CD1 3.53Å; L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-L88 VanDerWaalsContact O-N 3.13Å; S86-L88 PolarHBondContact O-N 3.44Å; L88-W125 HydrophobicContact CB-CE3 4.15Å; L88-W125 HydrophobicContact CB-CZ3 3.82Å; L88-W125 HydrophobicContact CD1-CE3 4.49Å; L88-W125 HydrophobicContact CD1-CZ3 3.84Å; L88-L126 HydrophobicContact CD1-CB 4.49Å; L88-L126 HydrophobicContact CD1-CD1 3.22Å; L88-L126 HydrophobicContact CD1-CG 4.45Å; L88-T129 HydrophobicContact CD2-CG2 3.52Å; L88-F132 HydrophobicContact CD1-CD2 4.12Å; L88-F132 HydrophobicContact CD1-CE2 3.71Å; L88-F132 HydrophobicContact CD2-CD2 4.17Å; L88-F132 HydrophobicContact CD2-CE2 4.05Å; L88-F132 HydrophobicContact CG-CE2 4.18Å
89	R	94.6	Very high	95.6	Very high	119 Å²	119	47.4 Å²	47.4	45%	0.449	28%	0.281	S	S	.	.	S	Bend	trans	-61	142	-179.7	-66.1	179.8	-67	172.8	3.8	109.6	D77 F79 Y81 S86 A93	D77-R89 WeakPolarHBondContact O-CA 3.07Å; F79-R89 WeakPolarHBondContact O-CG 3.43Å; Y81-R89 WeakPolarHBondContact O-CD 3.42Å; S86-R89 WeakPolarHBondContact O-CG 3.47Å; S86-R89 PolarHBondContact O-NE 2.79Å; R89-A93 HydrophobicContact CB-CB 3.92Å
90	N	92.3	Very high	95.6	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.139	30%	0.302	C	S	.	.			trans	-57	148.1	166.6	-160.2	-69.5	0	0	0	109.9	D77 M78 D92 A93	D77-N90 HydrophobicContact CB-CB 4.43Å; D77-N90 PolarHBondContact O-N 2.83Å; D77-N90 PolarHBondContact OD2-ND2 3.19Å; M78-N90 HydrophobicContact SD-CB 3.64Å; N90-D92 PolarHBondContact O-N 3.17Å; N90-D92 PolarHBondContact OD1-N 3.47Å; N90-D92 VanDerWaalsContact OD1-N 3.1Å; N90-A93 HydrophobicContact CB-CB 4.29Å; N90-A93 WeakPolarHBondContact O-CB 3.27Å; N90-A93 PolarHBondContact O-N 2.66Å
91	G	91	Very high	95.6	Very high	81 Å²	81	55.5 Å²	55.5	84%	0.835	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	175.9	0	0	0	0	0	112.8
92	D	90.4	Very high	95.6	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.241	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	16.5	177	-67.5	-29.9	0	0	0	113	M78 N90 M358 S359	M78-D92 WeakPolarHBondContact CE-O 3.48Å; N90-D92 PolarHBondContact O-N 3.17Å; N90-D92 PolarHBondContact OD1-N 3.47Å; N90-D92 VanDerWaalsContact OD1-N 3.1Å; D92-M358 HydrophobicContact CB-CB 3.8Å; D92-M358 HydrophobicContact CB-CG 4.04Å; D92-M358 HydrophobicContact CB-SD 4.16Å; D92-S359 WeakPolarHBondContact OD2-CB 3.47Å; D92-S359 PolarHBondContact OD2-N 3.3Å; D92-S359 PolarHBondContact OD2-OG 2.92Å
93	A	95.2	Very high	95.7	Very high	25 Å²	25	49.5 Å²	49.5	21%	0.207	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.4	143.8	179.1	0	0	0	0	0	112	R89 N90	R89-A93 HydrophobicContact CB-CB 3.92Å; N90-A93 HydrophobicContact CB-CB 4.29Å; N90-A93 WeakPolarHBondContact O-CB 3.27Å; N90-A93 PolarHBondContact O-N 2.66Å
94	Y	97.1	Very high	95.7	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.012	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-61	142.9	177.4	-65.6	-68.3	0	0	0	110.7	L46 A50 P51 P53 F56 W75 M78 P80 D98 I102 M358	L46-Y94 HydrophobicContact CB-CE2 4.48Å; L46-Y94 HydrophobicContact CD1-CE2 3.85Å; A50-Y94 HydrophobicContact CB-CE2 4.4Å; P51-Y94 WeakPolarHBondContact O-CE1 3.19Å; P51-Y94 PolarHBondContact O-OH 3Å; P53-Y94 HydrophobicContact CG-CD1 3.9Å; P53-Y94 HydrophobicContact CG-CE1 4.01Å; F56-Y94 AromaticContact CE2-CE1 3.84Å; F56-Y94 HydrophobicContact CE2-CE1 3.84Å; F56-Y94 AromaticContact CE2-CZ 3.78Å; F56-Y94 WeakPolarHBondContact CE2-OH 3.22Å; F56-Y94 HydrophobicContact CZ-CE1 4.4Å; F56-Y94 AromaticContact CZ-CZ 3.9Å; F56-Y94 WeakPolarHBondContact CZ-OH 3.37Å; W75-Y94 HydrophobicContact CE3-CD2 4.13Å; W75-Y94 AromaticContact CZ3-CD2 3.8Å; W75-Y94 HydrophobicContact CZ3-CD2 3.8Å; W75-Y94 HydrophobicContact CZ3-CE2 4.21Å; W75-Y94 HydrophobicContact CZ3-CG 4.47Å; M78-Y94 HydrophobicContact CB-CD2 4.01Å; M78-Y94 HydrophobicContact CB-CE2 4.09Å; M78-Y94 HydrophobicContact CE-CD2 4.13Å; M78-Y94 HydrophobicContact CE-CE2 3.85Å; M78-Y94 WeakPolarHBondContact O-CD2 3.34Å; M78-Y94 PolarHBondContact O-N 3.34Å; P80-Y94 VanDerWaalsContact CB-O 3.24Å; P80-Y94 WeakPolarHBondContact CB-O 3.19Å; Y94-D98 HydrophobicContact CD1-CB 4.05Å; Y94-D98 HydrophobicContact CG-CB 4.45Å; Y94-I102 HydrophobicContact CD1-CD1 4.11Å; Y94-I102 HydrophobicContact CE1-CD1 4.13Å; Y94-I102 HydrophobicContact CG-CD1 4.41Å; Y94-M358 HydrophobicContact CE1-CE 4.47Å
95	S	97.2	Very high	95.9	Very high	51 Å²	51	44.5 Å²	44.5	36%	0.357	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-72.1	165.9	168.5	73.8	0	0	0	0	111.1	D97 D98 V99	S95-D97 PolarHBondContact O-N 3.29Å; S95-D97 PolarHBondContact OG-N 2.92Å; S95-D98 VanDerWaalsContact CB-OD2 3.27Å; S95-D98 WeakPolarHBondContact CB-OD2 3.49Å; S95-D98 PolarHBondContact N-OD2 3.42Å; S95-D98 PolarHBondContact O-N 3.18Å; S95-D98 PolarHBondContact OG-N 3.28Å; S95-D98 VanDerWaalsContact OG-N 3.09Å; S95-D98 PolarHBondContact OG-OD2 3.19Å; S95-V99 PolarHBondContact O-N 3.44Å
96	A	97.9	Very high	96	Very high	25 Å²	25	44.5 Å²	44.5	21%	0.207	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-32.1	173.3	0	0	0	0	0	112.4	R100 F166	A96-R100 WeakPolarHBondContact O-CG 3.23Å; A96-R100 PolarHBondContact O-N 3.27Å; A96-R100 PolarHBondContact O-NH1 3.09Å; A96-F166 HydrophobicContact CB-CE1 4.05Å; A96-F166 HydrophobicContact CB-CZ 3.89Å
97	D	98.1	Very high	96.1	Very high	112 Å²	112	47.4 Å²	47.4	60%	0.599	27%	0.268	S	S	*	.	H	α-helix	trans	-75.7	-36.2	178.3	-66.2	-24.1	0	0	0	111.6	S95 R100 M101	S95-D97 PolarHBondContact O-N 3.29Å; S95-D97 PolarHBondContact OG-N 2.92Å; D97-R100 PolarHBondContact O-N 2.9Å; D97-R100 IonicContact OD1-NH1 3.86Å; D97-R100 PolarHBondContact OD1-NH1 2.87Å; D97-M101 VanDerWaalsContact O-CB 3.32Å; D97-M101 WeakPolarHBondContact O-CB 3.43Å; D97-M101 PolarHBondContact O-N 2.72Å
98	D	97.9	Very high	96.3	Very high	43 Å²	43	47.8 Å²	47.8	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-48.2	172.3	-63.4	-46.4	0	0	0	111.2	P53 Y94 S95 R100 M101 I102	P53-D98 HydrophobicContact CB-CB 4.21Å; P53-D98 WeakPolarHBondContact CB-OD1 3.28Å; P53-D98 HydrophobicContact CG-CB 3.89Å; P53-D98 WeakPolarHBondContact CG-OD1 3.21Å; Y94-D98 HydrophobicContact CD1-CB 4.05Å; Y94-D98 HydrophobicContact CG-CB 4.45Å; S95-D98 VanDerWaalsContact CB-OD2 3.27Å; S95-D98 WeakPolarHBondContact CB-OD2 3.49Å; S95-D98 PolarHBondContact N-OD2 3.42Å; S95-D98 PolarHBondContact O-N 3.18Å; S95-D98 PolarHBondContact OG-N 3.28Å; S95-D98 VanDerWaalsContact OG-N 3.09Å; S95-D98 PolarHBondContact OG-OD2 3.19Å; D98-R100 PolarHBondContact O-N 3.23Å; D98-M101 PolarHBondContact O-N 2.94Å; D98-I102 WeakPolarHBondContact O-CG1 3.36Å; D98-I102 PolarHBondContact O-N 3.04Å
99	V	98.1	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-46.7	177.8	174.6	0	0	0	0	110.8	W75 F79 P80 S95 M101 I102 L103 F166	W75-V99 HydrophobicContact CE3-CG2 4.47Å; W75-V99 HydrophobicContact CH2-CB 4.43Å; W75-V99 HydrophobicContact CH2-CG1 4.05Å; W75-V99 HydrophobicContact CH2-CG2 4.07Å; W75-V99 HydrophobicContact CZ2-CG1 4.17Å; W75-V99 HydrophobicContact CZ3-CG2 3.89Å; F79-V99 HydrophobicContact CE2-CG1 4.1Å; F79-V99 HydrophobicContact CE2-CG2 4.45Å; P80-V99 VanDerWaalsContact CD-CG2 3.46Å; P80-V99 HydrophobicContact CG-CB 4.47Å; P80-V99 HydrophobicContact CG-CG2 3.69Å; S95-V99 PolarHBondContact O-N 3.44Å; V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 2.91Å; V99-I102 PolarHBondContact O-N 3.23Å; V99-L103 HydrophobicContact CG1-CD1 3.94Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 3.06Å; V99-F166 HydrophobicContact CB-CD1 4.2Å; V99-F166 HydrophobicContact CB-CE1 4.33Å; V99-F166 HydrophobicContact CG1-CB 4.21Å; V99-F166 HydrophobicContact CG1-CD1 3.7Å; V99-F166 HydrophobicContact CG1-CE1 4.3Å; V99-F166 HydrophobicContact CG1-CG 4.1Å
100	R	98.1	Very high	96.7	Very high	119 Å²	119	53.5 Å²	53.5	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.7	-71.4	-179.9	-165.4	109.4	-0.7	112.2	A96 D97 D98 L103 S104 F166	A96-R100 WeakPolarHBondContact O-CG 3.23Å; A96-R100 PolarHBondContact O-N 3.27Å; A96-R100 PolarHBondContact O-NH1 3.09Å; D97-R100 PolarHBondContact O-N 2.9Å; D97-R100 IonicContact OD1-NH1 3.86Å; D97-R100 PolarHBondContact OD1-NH1 2.87Å; D98-R100 PolarHBondContact O-N 3.23Å; R100-L103 PolarHBondContact O-N 2.64Å; R100-S104 VanDerWaalsContact O-CB 3.28Å; R100-S104 WeakPolarHBondContact O-CB 3.23Å; R100-S104 PolarHBondContact O-N 2.89Å; R100-S104 PolarHBondContact O-OG 2.85Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; R100-F166 HydrophobicContact CG-CD1 4.05Å; R100-F166 HydrophobicContact CG-CE1 4.1Å
101	M	97.6	Very high	96.9	Very high	59 Å²	59	52.4 Å²	52.4	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-47.2	177	179	-74.2	-63.2	0	0	110.6	P53 D97 D98 V99 L103 S104 T105	P53-M101 HydrophobicContact CB-CE 3.58Å; P53-M101 WeakPolarHBondContact O-CE 3.49Å; D97-M101 VanDerWaalsContact O-CB 3.32Å; D97-M101 WeakPolarHBondContact O-CB 3.43Å; D97-M101 PolarHBondContact O-N 2.72Å; D98-M101 PolarHBondContact O-N 2.94Å; V99-M101 VanDerWaalsContact C-N 3.33Å; V99-M101 PolarHBondContact O-N 2.91Å; M101-L103 PolarHBondContact O-N 3.49Å; M101-S104 PolarHBondContact O-N 3.24Å; M101-S104 PolarHBondContact O-OG 3.3Å; M101-T105 WeakPolarHBondContact O-CB 3.31Å; M101-T105 PolarHBondContact O-N 3.11Å; M101-T105 PolarHBondContact O-OG1 3.21Å
102	I	97.8	Very high	97.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-51.7	177.5	-67.1	164	0	0	0	110.4	F56 F60 I73 W75 Y94 D98 V99 S104 T105 A106	F56-I102 HydrophobicContact CB-CG1 4.24Å; F56-I102 HydrophobicContact CD1-CG1 4.22Å; F56-I102 HydrophobicContact CD1-CG2 3.86Å; F56-I102 HydrophobicContact CD2-CD1 3.74Å; F56-I102 HydrophobicContact CD2-CG1 3.66Å; F56-I102 HydrophobicContact CE1-CD1 4.3Å; F56-I102 HydrophobicContact CE1-CG1 4.49Å; F56-I102 HydrophobicContact CE1-CG2 4.08Å; F56-I102 HydrophobicContact CE2-CD1 3.49Å; F56-I102 VanDerWaalsContact CE2-CD1 3.49Å; F56-I102 HydrophobicContact CE2-CG1 3.96Å; F56-I102 HydrophobicContact CG-CD1 4.23Å; F56-I102 HydrophobicContact CG-CG1 3.78Å; F56-I102 HydrophobicContact CG-CG2 4.2Å; F56-I102 HydrophobicContact CZ-CD1 3.79Å; F56-I102 HydrophobicContact CZ-CG1 4.36Å; F60-I102 HydrophobicContact CE2-CG2 4.09Å; F60-I102 WeakPolarHBondContact CE2-O 3.27Å; F60-I102 HydrophobicContact CZ-CG2 3.86Å; I73-I102 HydrophobicContact CD1-CG2 4.3Å; W75-I102 HydrophobicContact CH2-CD1 4.16Å; W75-I102 HydrophobicContact CH2-CG2 4.21Å; W75-I102 HydrophobicContact CZ3-CD1 4.29Å; Y94-I102 HydrophobicContact CD1-CD1 4.11Å; Y94-I102 HydrophobicContact CE1-CD1 4.13Å; Y94-I102 HydrophobicContact CG-CD1 4.41Å; D98-I102 WeakPolarHBondContact O-CG1 3.36Å; D98-I102 PolarHBondContact O-N 3.04Å; V99-I102 PolarHBondContact O-N 3.23Å; I102-S104 PolarHBondContact O-N 3.46Å; I102-T105 PolarHBondContact O-N 2.97Å; I102-A106 PolarHBondContact O-N 3.01Å; I102-A106 VanDerWaalsContact O-N 3.1Å
103	L	98.3	Very high	97.6	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-45.7	-179.1	-61.4	177.2	0	0	0	112.3	I73 W75 V99 R100 M101 T105 A106 D107 V113 F166 H167 Y170	I73-L103 HydrophobicContact CD1-CD2 4.21Å; W75-L103 HydrophobicContact CZ2-CD2 4.27Å; V99-L103 HydrophobicContact CG1-CD1 3.94Å; V99-L103 HydrophobicContact CG1-CG 4.3Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.38Å; V99-L103 PolarHBondContact O-N 3.06Å; R100-L103 PolarHBondContact O-N 2.64Å; M101-L103 PolarHBondContact O-N 3.49Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 2.69Å; L103-D107 PolarHBondContact O-N 2.88Å; L103-V113 HydrophobicContact CD2-CG1 3.71Å; L103-F166 HydrophobicContact CD1-CB 3.94Å; L103-H167 WeakPolarHBondContact CD2-CE1 3.42Å; L103-Y170 HydrophobicContact CB-CD2 4.11Å; L103-Y170 HydrophobicContact CB-CE1 4.19Å; L103-Y170 HydrophobicContact CB-CE2 3.7Å; L103-Y170 HydrophobicContact CD1-CD2 4.04Å; L103-Y170 HydrophobicContact CD1-CE2 3.88Å; L103-Y170 HydrophobicContact CG-CE2 4.39Å
104	S	97.4	Very high	97.7	Very high	36 Å²	36	46.8 Å²	46.8	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-34.6	177.5	69.5	0	0	0	0	112.7	R100 M101 I102 D107 Q108	R100-S104 VanDerWaalsContact O-CB 3.28Å; R100-S104 WeakPolarHBondContact O-CB 3.23Å; R100-S104 PolarHBondContact O-N 2.89Å; R100-S104 PolarHBondContact O-OG 2.85Å; R100-S104 VanDerWaalsContact O-OG 3.06Å; M101-S104 PolarHBondContact O-N 3.24Å; M101-S104 PolarHBondContact O-OG 3.3Å; I102-S104 PolarHBondContact O-N 3.46Å; S104-D107 PolarHBondContact O-N 3.48Å; S104-Q108 WeakPolarHBondContact O-CB 3.19Å; S104-Q108 WeakPolarHBondContact O-CG 3.48Å; S104-Q108 PolarHBondContact O-N 2.96Å
105	T	97.9	Very high	97.8	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-42	177.8	-57.1	0	0	0	0	111.1	R57 F60 M101 I102 L103 L109	R57-T105 HydrophobicContact CB-CG2 3.72Å; R57-T105 HydrophobicContact CG-CG2 3.8Å; F60-T105 HydrophobicContact CD2-CG2 3.87Å; F60-T105 HydrophobicContact CE2-CG2 4.47Å; M101-T105 WeakPolarHBondContact O-CB 3.31Å; M101-T105 PolarHBondContact O-N 3.11Å; M101-T105 PolarHBondContact O-OG1 3.21Å; I102-T105 PolarHBondContact O-N 2.97Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.1Å; T105-L109 HydrophobicContact CG2-CD1 4.26Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.21Å
106	A	97.9	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-44.9	174.8	0	0	0	0	0	111.5	F60 I71 I102 L103 L109 R110 L111 V113	F60-A106 HydrophobicContact CD2-CB 3.99Å; F60-A106 HydrophobicContact CE2-CB 3.73Å; F60-A106 HydrophobicContact CZ-CB 4.21Å; I71-A106 HydrophobicContact CD1-CB 3.5Å; I71-A106 VanDerWaalsContact CD1-CB 3.5Å; I71-A106 HydrophobicContact CG1-CB 4.37Å; I102-A106 PolarHBondContact O-N 3.01Å; I102-A106 VanDerWaalsContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 2.69Å; A106-L109 CarbonylContact O-C 3.54Å; A106-L109 PolarHBondContact O-N 3.36Å; A106-R110 PolarHBondContact O-N 3.06Å; A106-R110 VanDerWaalsContact O-N 3.14Å; A106-L111 HydrophobicContact CB-CB 4.3Å; A106-L111 PolarHBondContact O-N 3.16Å; A106-V113 HydrophobicContact CB-CG2 3.58Å
107	D	97.3	Very high	97.8	Very high	93 Å²	93	43.4 Å²	43.4	50%	0.497	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-44.7	178.4	-174.7	61.7	0	0	0	112.6	L103 S104 L109 R110 Y170	L103-D107 PolarHBondContact O-N 2.88Å; S104-D107 PolarHBondContact O-N 3.48Å; D107-L109 PolarHBondContact O-N 3.09Å; D107-R110 WeakPolarHBondContact O-CA 3.44Å; D107-R110 PolarHBondContact O-N 3.16Å; D107-Y170 HydrophobicContact CB-CD1 3.92Å; D107-Y170 HydrophobicContact CB-CE1 3.74Å
108	Q	97.8	Very high	97.8	Very high	136 Å²	136	38.4 Å²	38.4	64%	0.636	18%	0.177	S	C	*	.	H	α-helix	trans	-57.2	-34.6	173.7	-76.5	171.1	4.7	0	0	112.7	S104 R110	S104-Q108 WeakPolarHBondContact O-CB 3.19Å; S104-Q108 WeakPolarHBondContact O-CG 3.48Å; S104-Q108 PolarHBondContact O-N 2.96Å; Q108-R110 VanDerWaalsContact C-N 3.27Å
109	L	98	Very high	97.8	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.199	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.5	176.8	-68	170.6	0	0	0	113.1	F60 E61 V64 T105 A106 D107 L111	F60-L109 HydrophobicContact CB-CD1 3.36Å; F60-L109 HydrophobicContact CG-CD1 4.48Å; E61-L109 HydrophobicContact CG-CD1 3.96Å; E61-L109 HydrophobicContact CG-CD2 4Å; V64-L109 HydrophobicContact CG2-CB 4.21Å; T105-L109 HydrophobicContact CG2-CD1 4.26Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.21Å; A106-L109 CarbonylContact O-C 3.54Å; A106-L109 PolarHBondContact O-N 3.36Å; D107-L109 PolarHBondContact O-N 3.09Å; L109-L111 HydrophobicContact CB-CD1 4.5Å; L109-L111 HydrophobicContact CB-CG 4.46Å; L109-L111 PolarHBondContact O-N 2.96Å
110	R	97.3	Very high	97.7	Very high	220 Å²	220	36.4 Å²	36.4	83%	0.83	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	33	-178.8	-56.6	-176	-67.3	-109.7	-2.2	113.5	A106 D107 Q108	A106-R110 PolarHBondContact O-N 3.06Å; A106-R110 VanDerWaalsContact O-N 3.14Å; D107-R110 WeakPolarHBondContact O-CA 3.44Å; D107-R110 PolarHBondContact O-N 3.16Å; Q108-R110 VanDerWaalsContact C-N 3.27Å
111	L	97.1	Very high	97.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-86.7	120.2	169	-66.6	172.8	0	0	0	108.3	F60 V64 A68 I71 A106 L109 V113	F60-L111 HydrophobicContact CB-CD1 3.69Å; F60-L111 HydrophobicContact CD1-CD1 4.18Å; F60-L111 HydrophobicContact CG-CD1 3.99Å; V64-L111 HydrophobicContact CG2-CD1 4.14Å; V64-L111 HydrophobicContact CG2-CD2 3.82Å; V64-L111 HydrophobicContact CG2-CG 3.94Å; A68-L111 HydrophobicContact CB-CD2 4.25Å; I71-L111 HydrophobicContact CG2-CD1 4.12Å; A106-L111 HydrophobicContact CB-CB 4.3Å; A106-L111 PolarHBondContact O-N 3.16Å; L109-L111 HydrophobicContact CB-CD1 4.5Å; L109-L111 HydrophobicContact CB-CG 4.46Å; L109-L111 PolarHBondContact O-N 2.96Å; L111-V113 PolarHBondContact O-N 2.87Å
112	E	97.3	Very high	97.5	Very high	30 Å²	30	29.4 Å²	29.4	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.9	170.1	-180	179.3	-130.1	0	0	109.9	R39 T69 G70 I71 I114	R39-E112 IonicContact CZ-OE1 3.21Å; R39-E112 IonicContact CZ-OE2 3.63Å; R39-E112 IonicContact NH1-OE1 3.66Å; R39-E112 PolarHBondContact NH1-OE1 2.85Å; R39-E112 IonicContact NH1-OE2 2.77Å; R39-E112 PolarHBondContact NH1-OE2 3.36Å; T69-E112 PolarHBondContact O-N 3.46Å; G70-E112 CarbonylContact C-O 3.45Å; G70-E112 WeakPolarHBondContact CA-O 3.38Å; I71-E112 PolarHBondContact N-O 2.89Å; E112-I114 HydrophobicContact CG-CG1 4.36Å
113	V	98	Very high	97.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.1	178.1	-173.4	0	0	0	0	110.3	I71 I73 L103 A106 L111 G171	I71-V113 HydrophobicContact CD1-CG2 4.2Å; I71-V113 HydrophobicContact CG1-CB 4.47Å; I71-V113 HydrophobicContact CG1-CG1 4.36Å; I71-V113 HydrophobicContact CG1-CG2 4.12Å; I73-V113 HydrophobicContact CD1-CG1 3.94Å; I73-V113 HydrophobicContact CG1-CG1 4.44Å; L103-V113 HydrophobicContact CD2-CG1 3.71Å; A106-V113 HydrophobicContact CB-CG2 3.58Å; L111-V113 PolarHBondContact O-N 2.87Å; V113-G171 WeakPolarHBondContact O-CA 3.42Å
114	I	98.1	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.2	175.8	-50.6	178.2	0	0	0	107.4	I41 I71 L72 I73 E112 F173 H175 L225	I41-I114 HydrophobicContact CD1-CD1 4.37Å; I41-I114 HydrophobicContact CG1-CD1 4.35Å; I41-I114 HydrophobicContact CG2-CD1 4.48Å; I71-I114 PolarHBondContact O-N 2.81Å; L72-I114 CarbonylContact C-O 3.49Å; L72-I114 VanDerWaalsContact CA-O 3.24Å; L72-I114 WeakPolarHBondContact CA-O 3.3Å; L72-I114 HydrophobicContact CD1-CB 3.7Å; L72-I114 HydrophobicContact CD1-CG2 3.43Å; L72-I114 VanDerWaalsContact CD1-CG2 3.43Å; L72-I114 WeakPolarHBondContact CD1-O 3.24Å; I73-I114 PolarHBondContact N-O 3.16Å; E112-I114 HydrophobicContact CG-CG1 4.36Å; I114-F173 HydrophobicContact CD1-CB 4.15Å; I114-F173 HydrophobicContact CG1-CB 4.14Å; I114-F173 HydrophobicContact CG2-CB 3.88Å; I114-H175 HydrophobicContact CG2-CB 4.41Å; I114-L225 HydrophobicContact CD1-CD1 4.3Å; I114-L225 HydrophobicContact CG2-CD1 4.23Å
115	P	98.3	Very high	97	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138	170.5	26.8	-31.2	0	0	0	110.7	V163 M164 H167 F173 V174 H175	P115-V163 HydrophobicContact CB-CG1 3.7Å; P115-M164 HydrophobicContact CG-SD 4Å; P115-H167 HydrophobicContact CB-CB 4.35Å; P115-H167 HydrophobicContact CG-CB 3.81Å; P115-F173 WeakPolarHBondContact CD-O 3.49Å; P115-V174 HydrophobicContact CG-CB 4.44Å; P115-V174 HydrophobicContact CG-CG1 4.24Å; P115-V174 HydrophobicContact CG-CG2 4.1Å; P115-H175 PolarHBondContact O-N 3.03Å
116	L	97.8	Very high	97	Very high	2 Å²	2	31 Å²	31	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.4	162.6	-166.6	155.5	0	0	0	109.4	L72 I73 E74 Q118 H175 W227	L72-L116 HydrophobicContact CD1-CB 4.09Å; L72-L116 HydrophobicContact CD2-CB 4.39Å; L72-L116 HydrophobicContact CD2-CD1 3.8Å; L72-L116 HydrophobicContact CG-CB 4.18Å; L72-L116 HydrophobicContact CG-CD1 4.48Å; I73-L116 PolarHBondContact O-N 3.5Å; E74-L116 HydrophobicContact CB-CB 4.03Å; E74-L116 HydrophobicContact CB-CD2 4.28Å; E74-L116 HydrophobicContact CG-CD2 3.85Å; L116-Q118 HydrophobicContact CD2-CG 4.12Å; L116-H175 CarbonylContact C-O 3.49Å; L116-H175 VanDerWaalsContact CA-O 3.28Å; L116-H175 WeakPolarHBondContact CA-O 3.4Å; L116-H175 HydrophobicContact CB-CB 4Å; L116-H175 HydrophobicContact CD1-CB 4.18Å; L116-H175 WeakPolarHBondContact CD1-ND1 3.02Å; L116-H175 HydrophobicContact CG-CB 3.89Å; L116-W227 HydrophobicContact CD1-CZ2 3.83Å
117	V	97.9	Very high	96.9	Very high	6 Å²	6	31 Å²	31	4%	0.036	14%	0.139	C	C	.	.			trans	-122.6	122.8	174.1	-173.7	0	0	0	0	107.7	T119 L159 V160 V163 H175 I176 G177	V117-T119 HydrophobicContact CG1-CG2 4.36Å; V117-T119 WeakPolarHBondContact O-CG2 3.44Å; V117-T119 PolarHBondContact O-N 3.07Å; V117-L159 HydrophobicContact CG1-CB 4.29Å; V117-V160 HydrophobicContact CB-CG2 4.39Å; V117-V160 HydrophobicContact CG1-CG2 3.98Å; V117-V163 HydrophobicContact CG2-CB 3.81Å; V117-V163 HydrophobicContact CG2-CG1 3.78Å; V117-V163 HydrophobicContact CG2-CG2 3.87Å; V117-H175 PolarHBondContact N-O 2.77Å; V117-I176 CarbonylContact O-C 3.46Å; V117-I176 VanDerWaalsContact O-CA 3.28Å; V117-I176 WeakPolarHBondContact O-CA 3.24Å; V117-G177 PolarHBondContact O-N 3.34Å
118	Q	97.4	Very high	96.8	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.033	14%	0.143	C	C	.	.			trans	-70.5	127.4	173.5	-68.8	-65.9	2.6	0	0	110	E74 L116 H122 L123 D179	E74-Q118 PolarHBondContact OE1-NE2 2.59Å; L116-Q118 HydrophobicContact CD2-CG 4.12Å; Q118-H122 HydrophobicContact CB-CB 4.32Å; Q118-H122 HydrophobicContact CG-CB 3.67Å; Q118-L123 HydrophobicContact CB-CD2 4.03Å; Q118-D179 PolarHBondContact NE2-OD1 2.81Å; Q118-D179 PolarHBondContact OE1-OD1 3.34Å
119	T	98.1	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-123.8	-1.9	-173.4	65.8	0	0	0	0	114.6	V117 V156 V160 I176 H208 V212	V117-T119 HydrophobicContact CG1-CG2 4.36Å; V117-T119 WeakPolarHBondContact O-CG2 3.44Å; V117-T119 PolarHBondContact O-N 3.07Å; T119-V156 HydrophobicContact CG2-CG1 3.97Å; T119-V156 WeakPolarHBondContact O-CG1 3.33Å; T119-V160 HydrophobicContact CG2-CG2 3.76Å; T119-I176 HydrophobicContact CG2-CB 4.04Å; T119-I176 PolarHBondContact N-O 2.76Å; T119-I176 PolarHBondContact OG1-O 2.78Å; T119-H208 PolarHBondContact O-NE2 3.03Å; T119-V212 HydrophobicContact CG2-CG1 3.95Å
120	I	97.1	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	15%	0.152	C	C	.	.	S	Bend	trans	-140.2	-72.4	179.4	-44.4	-174.5	0	0	0	111.1	L123 S144 V145 V147 A178 V181 L205 H208 I209	I120-L123 WeakPolarHBondContact O-CD1 3.31Å; I120-S144 VanDerWaalsContact O-CA 3.27Å; I120-S144 WeakPolarHBondContact O-CA 3.45Å; I120-V145 PolarHBondContact O-N 3.01Å; I120-V147 HydrophobicContact CG2-CG1 4.22Å; I120-A178 HydrophobicContact CD1-CB 3.71Å; I120-A178 HydrophobicContact CG1-CB 4.12Å; I120-V181 HydrophobicContact CB-CG2 3.91Å; I120-V181 HydrophobicContact CG2-CB 4.36Å; I120-V181 HydrophobicContact CG2-CG1 3.76Å; I120-V181 HydrophobicContact CG2-CG2 3.75Å; I120-L205 HydrophobicContact CD1-CD1 3.7Å; I120-L205 HydrophobicContact CG2-CD1 4.19Å; I120-H208 VanDerWaalsContact CG1-CD2 3.48Å; I120-H208 WeakPolarHBondContact CG1-CD2 3.5Å; I120-I209 HydrophobicContact CD1-CD1 4.38Å; I120-I209 HydrophobicContact CD1-CG1 3.81Å
121	G	95.6	Very high	96.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-91.8	-176.3	172.3	0	0	0	0	0	111.4	L123 Q143	G121-L123 PolarHBondContact O-N 3.08Å; G121-Q143 CarbonylContact C-O 3.55Å; G121-Q143 WeakPolarHBondContact CA-O 3.41Å
122	H	94.3	Very high	96.4	Very high	31 Å²	31	28.7 Å²	28.7	14%	0.144	13%	0.133	C	C	.	.			trans	54	35.4	-178.9	-59.2	-82.5	0	0	0	113.4	Q118 E124 Q143 D179 E180	Q118-H122 HydrophobicContact CB-CB 4.32Å; Q118-H122 HydrophobicContact CG-CB 3.67Å; H122-E124 WeakPolarHBondContact CA-OE2 3.11Å; H122-Q143 PolarHBondContact N-O 3.43Å; H122-D179 IonicContact CD2-OD1 2.9Å; H122-D179 PolarHBondContact CD2-OD1 3.32Å; H122-D179 IonicContact CD2-OD2 2.86Å; H122-D179 IonicContact NE2-OD1 3.45Å; H122-D179 IonicContact NE2-OD2 3.53Å; H122-D179 PolarHBondContact NE2-OD2 3.13Å; H122-E180 IonicContact CE1-OE2 2.96Å; H122-E180 IonicContact NE2-OE2 3.35Å
123	L	95.8	Very high	96.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.139	C	C	.	.			trans	-105.3	19.3	179.4	-70.1	177	0	0	0	112.2	Q118 I120 G121 W125 L126 L127 Q143 V145 V156 L159	Q118-L123 HydrophobicContact CB-CD2 4.03Å; I120-L123 WeakPolarHBondContact O-CD1 3.31Å; G121-L123 PolarHBondContact O-N 3.08Å; L123-W125 VanDerWaalsContact C-N 3.27Å; L123-W125 PolarHBondContact O-N 2.75Å; L123-L126 HydrophobicContact CD2-CD2 4.42Å; L123-L126 WeakPolarHBondContact O-CB 3.27Å; L123-L126 PolarHBondContact O-N 2.72Å; L123-L127 HydrophobicContact CB-CD1 3.71Å; L123-L127 HydrophobicContact CB-CG 3.98Å; L123-L127 WeakPolarHBondContact O-CB 3.15Å; L123-L127 PolarHBondContact O-N 3.32Å; L123-Q143 PolarHBondContact N-O 2.99Å; L123-Q143 VanDerWaalsContact N-O 3.1Å; L123-V145 HydrophobicContact CD1-CB 3.87Å; L123-V145 HydrophobicContact CD1-CG1 4.07Å; L123-V156 HydrophobicContact CD1-CG2 4.31Å; L123-L159 HydrophobicContact CD2-CD1 4.38Å
124	E	95.1	Very high	96.3	Very high	62 Å²	62	32.1 Å²	32.1	29%	0.29	16%	0.16	S	C	.	.	H	α-helix	trans	-56.6	-41.5	-176.5	-67.7	83.8	169.6	0	0	111.6	H122 L126 L127 K128 P142 Q143	H122-E124 WeakPolarHBondContact CA-OE2 3.11Å; E124-L126 PolarHBondContact O-N 3.12Å; E124-L127 PolarHBondContact O-N 3.07Å; E124-K128 WeakPolarHBondContact O-CB 3.14Å; E124-K128 WeakPolarHBondContact O-CD 3.27Å; E124-K128 WeakPolarHBondContact O-CG 3.44Å; E124-K128 PolarHBondContact O-N 2.84Å; E124-P142 WeakPolarHBondContact CA-O 3.4Å; E124-P142 HydrophobicContact CG-CG 4.28Å; E124-P142 PolarHBondContact N-O 2.68Å; E124-Q143 WeakPolarHBondContact OE1-CB 3.36Å; E124-Q143 WeakPolarHBondContact OE1-CG 3.33Å
125	W	93.9	Very high	96.3	Very high	15 Å²	15	33.1 Å²	33.1	6%	0.057	16%	0.164	C	C	.	.	H	α-helix	trans	-56.6	-34.9	179.4	65.9	-93.1	0	0	0	112.4	E76 D77 Y81 L88 L123 L159	E76-W125 HydrophobicContact CB-CG 4.46Å; D77-W125 HydrophobicContact CB-CB 4.16Å; D77-W125 HydrophobicContact CB-CD2 4.06Å; D77-W125 HydrophobicContact CB-CE3 3.8Å; D77-W125 HydrophobicContact CB-CG 4.23Å; Y81-W125 HydrophobicContact CD2-CH2 4.07Å; Y81-W125 HydrophobicContact CD2-CZ3 4.3Å; Y81-W125 AromaticContact CE2-CH2 3.43Å; Y81-W125 HydrophobicContact CE2-CH2 3.43Å; Y81-W125 VanDerWaalsContact CE2-CH2 3.43Å; Y81-W125 HydrophobicContact CE2-CZ2 4.12Å; Y81-W125 HydrophobicContact CE2-CZ3 4.03Å; L88-W125 HydrophobicContact CB-CE3 4.15Å; L88-W125 HydrophobicContact CB-CZ3 3.82Å; L88-W125 HydrophobicContact CD1-CE3 4.49Å; L88-W125 HydrophobicContact CD1-CZ3 3.84Å; L123-W125 VanDerWaalsContact C-N 3.27Å; L123-W125 PolarHBondContact O-N 2.75Å; W125-L159 HydrophobicContact CH2-CD2 3.73Å; W125-L159 HydrophobicContact CZ2-CD1 4.44Å; W125-L159 HydrophobicContact CZ2-CD2 4.19Å
126	L	96	Very high	96.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-84.2	-55.7	177.1	165.3	66.1	0	0	0	111.5	L85 L88 L123 E124 K128 T129 F132 L155 L159	L85-L126 HydrophobicContact CD2-CD1 4.2Å; L88-L126 HydrophobicContact CD1-CB 4.49Å; L88-L126 HydrophobicContact CD1-CD1 3.22Å; L88-L126 HydrophobicContact CD1-CG 4.45Å; L123-L126 HydrophobicContact CD2-CD2 4.42Å; L123-L126 WeakPolarHBondContact O-CB 3.27Å; L123-L126 PolarHBondContact O-N 2.72Å; E124-L126 PolarHBondContact O-N 3.12Å; L126-K128 PolarHBondContact O-N 3.28Å; L126-T129 PolarHBondContact O-N 2.86Å; L126-T129 PolarHBondContact O-OG1 2.83Å; L126-F132 HydrophobicContact CD1-CB 4.1Å; L126-F132 HydrophobicContact CD1-CD1 4.43Å; L126-F132 HydrophobicContact CD1-CD2 3.32Å; L126-F132 HydrophobicContact CD1-CE2 3.77Å; L126-F132 HydrophobicContact CD1-CG 3.69Å; L126-F132 HydrophobicContact CD1-CZ 4.46Å; L126-F132 HydrophobicContact CG-CB 4.44Å; L126-F132 HydrophobicContact CG-CD2 4.45Å; L126-L155 HydrophobicContact CD1-CD2 3.96Å; L126-L155 HydrophobicContact CD2-CD2 3.92Å; L126-L155 HydrophobicContact CG-CD2 4.47Å; L126-L159 HydrophobicContact CD2-CD1 4.11Å
127	L	96.9	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-78.1	-18.6	-167	-67.7	177.7	0	0	0	112.7	L123 E124 T129 F132 F135 R136 P142 S144 V145	L123-L127 HydrophobicContact CB-CD1 3.71Å; L123-L127 HydrophobicContact CB-CG 3.98Å; L123-L127 WeakPolarHBondContact O-CB 3.15Å; L123-L127 PolarHBondContact O-N 3.32Å; E124-L127 PolarHBondContact O-N 3.07Å; L127-T129 PolarHBondContact O-N 2.98Å; L127-F132 HydrophobicContact CD2-CB 4.45Å; L127-F135 HydrophobicContact CD2-CB 3.83Å; L127-R136 HydrophobicContact CB-CG 4.06Å; L127-R136 HydrophobicContact CD1-CG 4.45Å; L127-R136 HydrophobicContact CD2-CG 4.37Å; L127-R136 PolarHBondContact O-NE 3.18Å; L127-R136 PolarHBondContact O-NH2 3.03Å; L127-P142 HydrophobicContact CB-CB 3.93Å; L127-P142 VanDerWaalsContact CB-O 3.24Å; L127-P142 WeakPolarHBondContact CB-O 3.23Å; L127-P142 WeakPolarHBondContact CD1-O 3.43Å; L127-S144 VanDerWaalsContact CD1-C 3.44Å; L127-S144 WeakPolarHBondContact CD1-O 3.33Å; L127-V145 HydrophobicContact CD1-CB 4.39Å
128	K	95.1	Very high	96.2	Very high	131 Å²	131	36.9 Å²	36.9	57%	0.57	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	173.2	72.8	-168.8	176.8	-173.5	0	112.6	E124 L126 R136 P142	E124-K128 WeakPolarHBondContact O-CB 3.14Å; E124-K128 WeakPolarHBondContact O-CD 3.27Å; E124-K128 WeakPolarHBondContact O-CG 3.44Å; E124-K128 PolarHBondContact O-N 2.84Å; L126-K128 PolarHBondContact O-N 3.28Å; K128-R136 PolarHBondContact O-NH2 3.18Å; K128-P142 HydrophobicContact CB-CB 4.22Å; K128-P142 HydrophobicContact CB-CG 4.37Å
129	T	95.3	Very high	96	Very high	36 Å²	36	40.9 Å²	40.9	22%	0.221	21%	0.207	C	C	.	.	S	Bend	trans	-72	150.3	-178.4	70.3	0	0	0	0	112.3	L88 L126 L127 K131 F132 S133	L88-T129 HydrophobicContact CD2-CG2 3.52Å; L126-T129 PolarHBondContact O-N 2.86Å; L126-T129 PolarHBondContact O-OG1 2.83Å; L127-T129 PolarHBondContact O-N 2.98Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 2.67Å; T129-F132 PolarHBondContact O-N 3.47Å; T129-S133 PolarHBondContact O-N 3.2Å; T129-S133 VanDerWaalsContact O-N 3.12Å
130	H	94.8	Very high	95.8	Very high	175 Å²	175	49.1 Å²	49.1	81%	0.81	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.2	176.2	-179.3	-88.9	0	0	0	111.6	F132 S133	H130-F132 VanDerWaalsContact C-N 3.27Å; H130-F132 PolarHBondContact O-N 3.15Å; H130-S133 WeakPolarHBondContact O-CB 3.39Å; H130-S133 PolarHBondContact O-N 2.76Å; H130-S133 PolarHBondContact O-OG 2.66Å
131	K	95.6	Very high	95.6	Very high	98 Å²	98	51.2 Å²	51.2	43%	0.426	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39	-177.2	-174.3	174.7	-178.9	178.9	0	113.4	Q84 T129	Q84-K131 PolarHBondContact O-NZ 3.22Å; T129-K131 VanDerWaalsContact C-N 3.27Å; T129-K131 PolarHBondContact O-N 2.67Å
132	F	96.7	Very high	95.6	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.018	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	12	-176.5	-57.6	-68.6	0	0	0	113.1	L88 L126 L127 T129 H130 S134 F135 L155	L88-F132 HydrophobicContact CD1-CD2 4.12Å; L88-F132 HydrophobicContact CD1-CE2 3.71Å; L88-F132 HydrophobicContact CD2-CD2 4.17Å; L88-F132 HydrophobicContact CD2-CE2 4.05Å; L88-F132 HydrophobicContact CG-CE2 4.18Å; L126-F132 HydrophobicContact CD1-CB 4.1Å; L126-F132 HydrophobicContact CD1-CD1 4.43Å; L126-F132 HydrophobicContact CD1-CD2 3.32Å; L126-F132 HydrophobicContact CD1-CE2 3.77Å; L126-F132 HydrophobicContact CD1-CG 3.69Å; L126-F132 HydrophobicContact CD1-CZ 4.46Å; L126-F132 HydrophobicContact CG-CB 4.44Å; L126-F132 HydrophobicContact CG-CD2 4.45Å; L127-F132 HydrophobicContact CD2-CB 4.45Å; T129-F132 PolarHBondContact O-N 3.47Å; H130-F132 VanDerWaalsContact C-N 3.27Å; H130-F132 PolarHBondContact O-N 3.15Å; F132-S134 PolarHBondContact O-N 3.43Å; F132-F135 HydrophobicContact CB-CD2 4.44Å; F132-F135 AromaticContact CD1-CD2 3.96Å; F132-F135 HydrophobicContact CD1-CD2 3.96Å; F132-F135 AromaticContact CD1-CE2 3.8Å; F132-F135 HydrophobicContact CD1-CE2 3.8Å; F132-F135 HydrophobicContact CD1-CZ 4.43Å; F132-F135 HydrophobicContact CE1-CE2 4.35Å; F132-F135 WeakPolarHBondContact O-CB 3.4Å; F132-F135 PolarHBondContact O-N 3.39Å; F132-L155 HydrophobicContact CD1-CD2 3.59Å; F132-L155 HydrophobicContact CE1-CD1 4.13Å; F132-L155 HydrophobicContact CE1-CD2 3.65Å; F132-L155 HydrophobicContact CG-CD2 4.19Å; F132-L155 HydrophobicContact CZ-CD1 4.43Å; F132-L155 HydrophobicContact CZ-CD2 4.3Å
133	S	96.5	Very high	95.6	Very high	39 Å²	39	52.4 Å²	52.4	27%	0.273	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-60.7	-31.3	-179.3	61	0	0	0	0	113.6	T129 H130 F135 R136	T129-S133 PolarHBondContact O-N 3.2Å; T129-S133 VanDerWaalsContact O-N 3.12Å; H130-S133 WeakPolarHBondContact O-CB 3.39Å; H130-S133 PolarHBondContact O-N 2.76Å; H130-S133 PolarHBondContact O-OG 2.66Å; S133-F135 PolarHBondContact O-N 2.91Å; S133-R136 WeakPolarHBondContact O-CD 3.34Å; S133-R136 VanDerWaalsContact O-CG 3.28Å; S133-R136 WeakPolarHBondContact O-CG 3.35Å; S133-R136 PolarHBondContact O-N 3.13Å
134	S	96.8	Very high	95.7	Very high	64 Å²	64	52.4 Å²	52.4	45%	0.448	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-70.7	-10.9	177.2	62.2	0	0	0	0	113.9	F132 R189	F132-S134 PolarHBondContact O-N 3.43Å; S134-R189 PolarHBondContact O-NH1 2.97Å
135	F	97.6	Very high	95.8	Very high	21 Å²	21	49.7 Å²	49.7	9%	0.092	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-90.6	-7.8	-179	-68.4	7.5	0	0	0	112.5	L127 F132 S133 V145 C146 N149 E151 A152 L155	L127-F135 HydrophobicContact CD2-CB 3.83Å; F132-F135 HydrophobicContact CB-CD2 4.44Å; F132-F135 AromaticContact CD1-CD2 3.96Å; F132-F135 HydrophobicContact CD1-CD2 3.96Å; F132-F135 AromaticContact CD1-CE2 3.8Å; F132-F135 HydrophobicContact CD1-CE2 3.8Å; F132-F135 HydrophobicContact CD1-CZ 4.43Å; F132-F135 HydrophobicContact CE1-CE2 4.35Å; F132-F135 WeakPolarHBondContact O-CB 3.4Å; F132-F135 PolarHBondContact O-N 3.39Å; S133-F135 PolarHBondContact O-N 2.91Å; F135-V145 CarbonylContact O-C 3.53Å; F135-C146 WeakPolarHBondContact O-CB 3.25Å; F135-C146 PolarHBondContact O-N 3.43Å; F135-N149 WeakPolarHBondContact CD1-ND2 3.25Å; F135-E151 HydrophobicContact CE1-CB 4.01Å; F135-E151 HydrophobicContact CZ-CB 3.71Å; F135-A152 HydrophobicContact CB-CB 3.7Å; F135-A152 HydrophobicContact CD1-CB 4.18Å; F135-A152 HydrophobicContact CD2-CB 3.64Å; F135-A152 HydrophobicContact CE2-CB 4.25Å; F135-A152 HydrophobicContact CG-CB 3.6Å; F135-L155 HydrophobicContact CD2-CB 4.49Å; F135-L155 HydrophobicContact CD2-CD2 3.75Å; F135-L155 HydrophobicContact CE2-CB 4.03Å; F135-L155 HydrophobicContact CE2-CD2 3.69Å; F135-L155 HydrophobicContact CE2-CG 4.45Å
136	R	97.5	Very high	96	Very high	48 Å²	48	49 Å²	49	18%	0.181	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	145	178.6	-61.7	171.4	-168.8	167.8	3.4	111.3	L127 K128 S133 N138 P139 S144	L127-R136 HydrophobicContact CB-CG 4.06Å; L127-R136 HydrophobicContact CD1-CG 4.45Å; L127-R136 HydrophobicContact CD2-CG 4.37Å; L127-R136 PolarHBondContact O-NE 3.18Å; L127-R136 PolarHBondContact O-NH2 3.03Å; K128-R136 PolarHBondContact O-NH2 3.18Å; S133-R136 WeakPolarHBondContact O-CD 3.34Å; S133-R136 VanDerWaalsContact O-CG 3.28Å; S133-R136 WeakPolarHBondContact O-CG 3.35Å; S133-R136 PolarHBondContact O-N 3.13Å; R136-N138 WeakPolarHBondContact CB-O 3.48Å; R136-P139 PolarHBondContact NH1-O 3.3Å; R136-S144 WeakPolarHBondContact CA-O 3.31Å
137	E	97.5	Very high	96	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-52.7	165.4	-180	67.9	-170.7	0	0	110.3	S144 C146 G185 E186 C187 C190	E137-S144 WeakPolarHBondContact CB-OG 3.42Å; E137-S144 PolarHBondContact N-O 3.3Å; E137-C146 VanDerWaalsContact OE2-CA 3.31Å; E137-C146 WeakPolarHBondContact OE2-CA 3.24Å; E137-G185 WeakPolarHBondContact OE1-CA 3.18Å; E137-G185 PolarHBondContact OE1-N 2.79Å; E137-E186 PolarHBondContact OE1-N 3.44Å; E137-C187 WeakPolarHBondContact O-CB 3.22Å; E137-C187 PolarHBondContact OE1-N 3.03Å; E137-C187 PolarHBondContact OE2-SG 3.04Å; E137-C187 VanDerWaalsContact OE2-SG 3.4Å; E137-C190 PolarHBondContact OE2-SG 2.91Å
138	N	95.9	Very high	96.1	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.203	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.7	173.5	-176.7	-21	0	0	0	108.9	R136 Q140 N141 Q183	R136-N138 WeakPolarHBondContact CB-O 3.48Å; N138-Q140 PolarHBondContact O-N 3.06Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.43Å; N138-Q140 PolarHBondContact OD1-N 3.25Å; N138-N141 HydrophobicContact CB-CB 4.05Å; N138-N141 CarbonylContact O-C 3.56Å; N138-N141 PolarHBondContact O-N 3.34Å; N138-Q183 PolarHBondContact ND2-NE2 3.06Å; N138-Q183 PolarHBondContact ND2-OE1 2.89Å
139	P	94	Very high	96.2	Very high	92 Å²	92	44.5 Å²	44.5	60%	0.597	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.3	178.7	-28	35.6	0	0	0	114.1	R136	R136-P139 PolarHBondContact NH1-O 3.3Å
140	Q	93.8	Very high	96.3	Very high	173 Å²	173	46 Å²	46	81%	0.808	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.4	-179.7	-59.1	-63.3	2.9	0	0	114.5	N138	N138-Q140 PolarHBondContact O-N 3.06Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.43Å; N138-Q140 PolarHBondContact OD1-N 3.25Å
141	N	94	Very high	96.5	Very high	44 Å²	44	44 Å²	44	24%	0.235	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.8	-178.7	-174.7	1.9	0	0	0	110.9	N138 Q143 Q183	N138-N141 HydrophobicContact CB-CB 4.05Å; N138-N141 CarbonylContact O-C 3.56Å; N138-N141 PolarHBondContact O-N 3.34Å; N141-Q143 PolarHBondContact O-N 3.37Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.18Å; N141-Q143 PolarHBondContact OD1-N 3.32Å; N141-Q143 VanDerWaalsContact OD1-N 3.12Å; N141-Q183 VanDerWaalsContact CB-OE1 3.25Å; N141-Q183 PolarHBondContact ND2-OE1 3.3Å
142	P	95	Very high	96.6	Very high	31 Å²	31	39.3 Å²	39.3	20%	0.201	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	12.1	180	34.9	-36.5	0	0	0	114.1	E124 L127 K128	E124-P142 WeakPolarHBondContact CA-O 3.4Å; E124-P142 HydrophobicContact CG-CG 4.28Å; E124-P142 PolarHBondContact N-O 2.68Å; L127-P142 HydrophobicContact CB-CB 3.93Å; L127-P142 VanDerWaalsContact CB-O 3.24Å; L127-P142 WeakPolarHBondContact CB-O 3.23Å; L127-P142 WeakPolarHBondContact CD1-O 3.43Å; K128-P142 HydrophobicContact CB-CB 4.22Å; K128-P142 HydrophobicContact CB-CG 4.37Å
143	Q	94.7	Very high	96.6	Very high	26 Å²	26	39.8 Å²	39.8	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-45.6	-175.6	-178.8	175.4	44.8	0	0	113.8	G121 H122 L123 E124 N141	G121-Q143 CarbonylContact C-O 3.55Å; G121-Q143 WeakPolarHBondContact CA-O 3.41Å; H122-Q143 PolarHBondContact N-O 3.43Å; L123-Q143 PolarHBondContact N-O 2.99Å; L123-Q143 VanDerWaalsContact N-O 3.1Å; E124-Q143 WeakPolarHBondContact OE1-CB 3.36Å; E124-Q143 WeakPolarHBondContact OE1-CG 3.33Å; N141-Q143 PolarHBondContact O-N 3.37Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.18Å; N141-Q143 PolarHBondContact OD1-N 3.32Å; N141-Q143 VanDerWaalsContact OD1-N 3.12Å
144	S	96.9	Very high	96.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.3	-169	61.9	0	0	0	0	114	I120 L127 R136 E137 Q183	I120-S144 VanDerWaalsContact O-CA 3.27Å; I120-S144 WeakPolarHBondContact O-CA 3.45Å; L127-S144 VanDerWaalsContact CD1-C 3.44Å; L127-S144 WeakPolarHBondContact CD1-O 3.33Å; R136-S144 WeakPolarHBondContact CA-O 3.31Å; E137-S144 WeakPolarHBondContact CB-OG 3.42Å; E137-S144 PolarHBondContact N-O 3.3Å; S144-Q183 PolarHBondContact OG-O 3.38Å
145	V	97.4	Very high	96.7	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	144.1	176.2	71.6	0	0	0	0	111.6	I120 L123 L127 F135 V147 A152 V156	I120-V145 PolarHBondContact O-N 3.01Å; L123-V145 HydrophobicContact CD1-CB 3.87Å; L123-V145 HydrophobicContact CD1-CG1 4.07Å; L127-V145 HydrophobicContact CD1-CB 4.39Å; F135-V145 CarbonylContact O-C 3.53Å; V145-V147 HydrophobicContact CG1-CG1 4.28Å; V145-V147 PolarHBondContact O-N 3.24Å; V145-V147 VanDerWaalsContact O-N 3.09Å; V145-A152 HydrophobicContact CG2-CB 3.49Å; V145-A152 VanDerWaalsContact CG2-CB 3.49Å; V145-V156 HydrophobicContact CG1-CG2 4.22Å; V145-V156 HydrophobicContact CG2-CG2 4.37Å
146	C	97.9	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.			trans	-71	100.4	169.8	177.6	0	0	0	0	110.4	F135 E137 S148 N149 C187 C190	F135-C146 WeakPolarHBondContact O-CB 3.25Å; F135-C146 PolarHBondContact O-N 3.43Å; E137-C146 VanDerWaalsContact OE2-CA 3.31Å; E137-C146 WeakPolarHBondContact OE2-CA 3.24Å; C146-S148 PolarHBondContact O-N 2.89Å; C146-S148 VanDerWaalsContact O-N 3.09Å; C146-N149 HydrophobicContact CB-CB 4.03Å; C146-N149 WeakPolarHBondContact O-CB 3.4Å; C146-N149 PolarHBondContact O-N 2.78Å; C146-C187 PolarHBondContact SG-SG 3.42Å; C146-C190 VanDerWaalsContact SG-SG 3.6Å
147	V	97.3	Very high	96.8	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.03	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.5	-179.6	-62	0	0	0	0	114.4	I120 V145 L204 H208	I120-V147 HydrophobicContact CG2-CG1 4.22Å; V145-V147 HydrophobicContact CG1-CG1 4.28Å; V145-V147 PolarHBondContact O-N 3.24Å; V145-V147 VanDerWaalsContact O-N 3.09Å; V147-L204 HydrophobicContact CG2-CD1 4.41Å; V147-L204 HydrophobicContact CG2-CD2 3.71Å; V147-L204 HydrophobicContact CG2-CG 3.67Å; V147-H208 HydrophobicContact CB-CB 3.95Å; V147-H208 HydrophobicContact CG1-CB 3.85Å
148	S	97.6	Very high	96.8	Very high	21 Å²	21	41 Å²	41	15%	0.147	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.2	170.7	-63.7	0	0	0	0	113.8	C146 C190 R193 L204	C146-S148 PolarHBondContact O-N 2.89Å; C146-S148 VanDerWaalsContact O-N 3.09Å; S148-C190 VanDerWaalsContact CB-SG 3.53Å; S148-C190 WeakPolarHBondContact OG-CA 3.46Å; S148-C190 PolarHBondContact OG-SG 3.41Å; S148-R193 WeakPolarHBondContact OG-CD 3.2Å; S148-L204 WeakPolarHBondContact OG-CD1 3.42Å
149	N	97.6	Very high	96.9	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.064	22%	0.215	C	C	.	.			trans	-91.2	112	172.7	-178.7	-5	0	0	0	109.6	F135 C146 E151 A152 V153	F135-N149 WeakPolarHBondContact CD1-ND2 3.25Å; C146-N149 HydrophobicContact CB-CB 4.03Å; C146-N149 WeakPolarHBondContact O-CB 3.4Å; C146-N149 PolarHBondContact O-N 2.78Å; N149-E151 VanDerWaalsContact C-N 3.34Å; N149-E151 PolarHBondContact O-N 2.9Å; N149-E151 PolarHBondContact OD1-N 3.4Å; N149-A152 HydrophobicContact CB-CB 3.78Å; N149-A152 WeakPolarHBondContact O-CB 3.1Å; N149-A152 PolarHBondContact O-N 3.35Å; N149-A152 VanDerWaalsContact O-N 3.13Å; N149-V153 WeakPolarHBondContact O-CG2 3.29Å; N149-V153 PolarHBondContact O-N 3.13Å
150	A	97.6	Very high	97.2	Very high	68 Å²	68	34.9 Å²	34.9	56%	0.562	19%	0.187	S	C	*	.	H	α-helix	trans	-58.1	-43.2	-177.8	0	0	0	0	0	112.7	A152 V153 D154	A150-A152 VanDerWaalsContact C-N 3.26Å; A150-A152 PolarHBondContact O-N 3.4Å; A150-V153 PolarHBondContact O-N 2.96Å; A150-D154 WeakPolarHBondContact O-CB 3.43Å; A150-D154 VanDerWaalsContact O-CG 3.29Å; A150-D154 PolarHBondContact O-N 2.75Å
151	E	97.9	Very high	97.4	Very high	132 Å²	132	28.1 Å²	28.1	62%	0.617	16%	0.157	S	C	*	.	H	α-helix	trans	-64.6	-34	179	-60.4	179.9	127.8	0	0	112	F135 N149 L155	F135-E151 HydrophobicContact CE1-CB 4.01Å; F135-E151 HydrophobicContact CZ-CB 3.71Å; N149-E151 VanDerWaalsContact C-N 3.34Å; N149-E151 PolarHBondContact O-N 2.9Å; N149-E151 PolarHBondContact OD1-N 3.4Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 PolarHBondContact O-N 3.43Å
152	A	97.7	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.2	-40.4	177.5	0	0	0	0	0	111.7	F135 V145 N149 A150 L155 V156	F135-A152 HydrophobicContact CB-CB 3.7Å; F135-A152 HydrophobicContact CD1-CB 4.18Å; F135-A152 HydrophobicContact CD2-CB 3.64Å; F135-A152 HydrophobicContact CE2-CB 4.25Å; F135-A152 HydrophobicContact CG-CB 3.6Å; V145-A152 HydrophobicContact CG2-CB 3.49Å; V145-A152 VanDerWaalsContact CG2-CB 3.49Å; N149-A152 HydrophobicContact CB-CB 3.78Å; N149-A152 WeakPolarHBondContact O-CB 3.1Å; N149-A152 PolarHBondContact O-N 3.35Å; N149-A152 VanDerWaalsContact O-N 3.13Å; A150-A152 VanDerWaalsContact C-N 3.26Å; A150-A152 PolarHBondContact O-N 3.4Å; A152-L155 PolarHBondContact O-N 2.96Å; A152-V156 WeakPolarHBondContact O-CG2 3.35Å; A152-V156 PolarHBondContact O-N 3.43Å
153	V	98.2	Very high	97.8	Very high	14 Å²	14	25.8 Å²	25.8	9%	0.085	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-44.1	173.4	174.1	0	0	0	0	110.6	N149 A150 L155 V156 L157 N211	N149-V153 WeakPolarHBondContact O-CG2 3.29Å; N149-V153 PolarHBondContact O-N 3.13Å; A150-V153 PolarHBondContact O-N 2.96Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 2.99Å; V153-V156 WeakPolarHBondContact O-CB 3.31Å; V153-V156 PolarHBondContact O-N 3.12Å; V153-V156 VanDerWaalsContact O-N 3.15Å; V153-L157 HydrophobicContact CG1-CD1 4.5Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.82Å; V153-N211 WeakPolarHBondContact CG1-ND2 3.07Å
154	D	98.1	Very high	98	Very high	104 Å²	104	24.6 Å²	24.6	56%	0.556	14%	0.136	S	C	*	.	H	α-helix	trans	-62	-39.4	176.9	-71.7	-18.2	0	0	0	111.7	A150 L157 H158	A150-D154 WeakPolarHBondContact O-CB 3.43Å; A150-D154 VanDerWaalsContact O-CG 3.29Å; A150-D154 PolarHBondContact O-N 2.75Å; D154-L157 PolarHBondContact O-N 2.74Å; D154-H158 WeakPolarHBondContact O-CB 3.42Å; D154-H158 PolarHBondContact O-N 3.38Å
155	L	97.6	Very high	98	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-42.5	173.6	-174.2	71.2	0	0	0	111.9	Q84 L85 L126 F132 F135 E151 A152 V153 H158 L159	Q84-L155 HydrophobicContact CG-CD1 4.39Å; L85-L155 HydrophobicContact CD2-CD1 3.86Å; L85-L155 HydrophobicContact CD2-CG 4.49Å; L85-L155 HydrophobicContact CG-CD1 4.33Å; L126-L155 HydrophobicContact CD1-CD2 3.96Å; L126-L155 HydrophobicContact CD2-CD2 3.92Å; L126-L155 HydrophobicContact CG-CD2 4.47Å; F132-L155 HydrophobicContact CD1-CD2 3.59Å; F132-L155 HydrophobicContact CE1-CD1 4.13Å; F132-L155 HydrophobicContact CE1-CD2 3.65Å; F132-L155 HydrophobicContact CG-CD2 4.19Å; F132-L155 HydrophobicContact CZ-CD1 4.43Å; F132-L155 HydrophobicContact CZ-CD2 4.3Å; F135-L155 HydrophobicContact CD2-CB 4.49Å; F135-L155 HydrophobicContact CD2-CD2 3.75Å; F135-L155 HydrophobicContact CE2-CB 4.03Å; F135-L155 HydrophobicContact CE2-CD2 3.69Å; F135-L155 HydrophobicContact CE2-CG 4.45Å; E151-L155 WeakPolarHBondContact O-CB 3.48Å; E151-L155 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 2.96Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 2.99Å; L155-H158 WeakPolarHBondContact O-CB 3.3Å; L155-H158 PolarHBondContact O-N 3.25Å; L155-L159 PolarHBondContact O-N 2.62Å
156	V	98.1	Very high	98.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-45.7	176.2	167.8	0	0	0	0	111.2	T119 L123 V145 A152 V153 H158 L159 V160 V212	T119-V156 HydrophobicContact CG2-CG1 3.97Å; T119-V156 WeakPolarHBondContact O-CG1 3.33Å; L123-V156 HydrophobicContact CD1-CG2 4.31Å; V145-V156 HydrophobicContact CG1-CG2 4.22Å; V145-V156 HydrophobicContact CG2-CG2 4.37Å; A152-V156 WeakPolarHBondContact O-CG2 3.35Å; A152-V156 PolarHBondContact O-N 3.43Å; V153-V156 WeakPolarHBondContact O-CB 3.31Å; V153-V156 PolarHBondContact O-N 3.12Å; V153-V156 VanDerWaalsContact O-N 3.15Å; V156-H158 PolarHBondContact O-N 3.48Å; V156-L159 WeakPolarHBondContact O-CB 3.47Å; V156-L159 PolarHBondContact O-N 3.13Å; V156-L159 VanDerWaalsContact O-N 3.15Å; V156-V160 PolarHBondContact O-N 3.42Å; V156-V160 VanDerWaalsContact O-N 3.13Å; V156-V212 HydrophobicContact CG1-CG2 4.42Å
157	L	98.5	Very high	98.1	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-34.1	175.1	-64.4	-179	0	0	0	111.5	V153 D154 V160 D161 V212 H215	V153-L157 HydrophobicContact CG1-CD1 4.5Å; V153-L157 WeakPolarHBondContact O-CG 3.45Å; V153-L157 PolarHBondContact O-N 2.82Å; D154-L157 PolarHBondContact O-N 2.74Å; L157-V160 PolarHBondContact O-N 2.95Å; L157-D161 WeakPolarHBondContact O-CB 3.48Å; L157-D161 VanDerWaalsContact O-CG 3.31Å; L157-D161 PolarHBondContact O-N 3.46Å; L157-V212 HydrophobicContact CD2-CB 4.44Å; L157-V212 HydrophobicContact CD2-CG2 4.03Å; L157-H215 HydrophobicContact CD2-CB 3.88Å
158	H	97.9	Very high	98.1	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.315	18%	0.184	S	C	.	.	H	α-helix	trans	-67.3	-37.1	174.6	-168.2	64.1	0	0	0	113	D154 L155 V156 D161 Q162	D154-H158 WeakPolarHBondContact O-CB 3.42Å; D154-H158 PolarHBondContact O-N 3.38Å; L155-H158 WeakPolarHBondContact O-CB 3.3Å; L155-H158 PolarHBondContact O-N 3.25Å; V156-H158 PolarHBondContact O-N 3.48Å; H158-D161 PolarHBondContact O-N 2.86Å; H158-Q162 PolarHBondContact CD2-NE2 2.79Å; H158-Q162 PolarHBondContact NE2-NE2 2.93Å; H158-Q162 WeakPolarHBondContact O-CG 3.28Å; H158-Q162 PolarHBondContact O-N 2.81Å
159	L	98	Very high	98.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-50.5	171.5	-68.9	169.2	0	0	0	110.8	Y81 L85 V117 L123 W125 L126 L155 V156 D161 Q162 V163	Y81-L159 HydrophobicContact CD1-CD2 4.22Å; Y81-L159 HydrophobicContact CE1-CD2 3.66Å; Y81-L159 HydrophobicContact CE2-CD2 4.19Å; L85-L159 HydrophobicContact CD1-CD2 3.49Å; L85-L159 VanDerWaalsContact CD1-CD2 3.49Å; L85-L159 HydrophobicContact CD1-CG 4.25Å; L85-L159 HydrophobicContact CD2-CD2 3.9Å; L85-L159 HydrophobicContact CG-CD2 4.33Å; V117-L159 HydrophobicContact CG1-CB 4.29Å; L123-L159 HydrophobicContact CD2-CD1 4.38Å; W125-L159 HydrophobicContact CH2-CD2 3.73Å; W125-L159 HydrophobicContact CZ2-CD1 4.44Å; W125-L159 HydrophobicContact CZ2-CD2 4.19Å; L126-L159 HydrophobicContact CD2-CD1 4.11Å; L155-L159 PolarHBondContact O-N 2.62Å; V156-L159 WeakPolarHBondContact O-CB 3.47Å; V156-L159 PolarHBondContact O-N 3.13Å; V156-L159 VanDerWaalsContact O-N 3.15Å; L159-D161 VanDerWaalsContact C-N 3.31Å; L159-D161 PolarHBondContact O-N 2.68Å; L159-Q162 PolarHBondContact O-N 2.79Å; L159-V163 PolarHBondContact O-N 2.78Å; L159-V163 VanDerWaalsContact O-N 3.12Å
160	V	98.5	Very high	98.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-47.3	177.2	174.2	0	0	0	0	110.3	V117 T119 V156 L157 Q162 V163 M164 V212 V216	V117-V160 HydrophobicContact CB-CG2 4.39Å; V117-V160 HydrophobicContact CG1-CG2 3.98Å; T119-V160 HydrophobicContact CG2-CG2 3.76Å; V156-V160 PolarHBondContact O-N 3.42Å; V156-V160 VanDerWaalsContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 2.95Å; V160-Q162 PolarHBondContact O-N 3.08Å; V160-V163 PolarHBondContact O-N 2.89Å; V160-M164 HydrophobicContact CG1-CG 4.11Å; V160-M164 VanDerWaalsContact O-CB 3.28Å; V160-M164 WeakPolarHBondContact O-CB 3.36Å; V160-M164 VanDerWaalsContact O-CG 3.25Å; V160-M164 WeakPolarHBondContact O-CG 3.24Å; V160-M164 PolarHBondContact O-N 3.19Å; V160-V212 HydrophobicContact CG2-CG1 4.44Å; V160-V216 HydrophobicContact CG1-CG2 3.66Å
161	D	98.6	Very high	98	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-40.9	179.7	-80.1	-19.1	0	0	0	113.2	L157 H158 L159 M164 A165 H215 K219 Y220	L157-D161 WeakPolarHBondContact O-CB 3.48Å; L157-D161 VanDerWaalsContact O-CG 3.31Å; L157-D161 PolarHBondContact O-N 3.46Å; H158-D161 PolarHBondContact O-N 2.86Å; L159-D161 VanDerWaalsContact C-N 3.31Å; L159-D161 PolarHBondContact O-N 2.68Å; D161-M164 PolarHBondContact O-N 2.88Å; D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 2.86Å; D161-H215 IonicContact OD1-CD2 2.72Å; D161-H215 IonicContact OD1-CE1 3.69Å; D161-H215 IonicContact OD1-NE2 2.59Å; D161-H215 PolarHBondContact OD1-NE2 2.88Å; D161-H215 IonicContact OD2-CE1 3.79Å; D161-H215 IonicContact OD2-NE2 3.75Å; D161-K219 IonicContact OD1-NZ 3.77Å; D161-K219 PolarHBondContact OD1-NZ 3.24Å; D161-K219 IonicContact OD2-NZ 2.87Å; D161-K219 PolarHBondContact OD2-NZ 3.34Å; D161-Y220 WeakPolarHBondContact CA-OH 3.5Å; D161-Y220 PolarHBondContact OD1-OH 3.24Å
162	Q	98.5	Very high	97.9	Very high	25 Å²	25	36.6 Å²	36.6	12%	0.117	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-41.7	179.1	-72.5	-159.1	35.4	0	0	112	F79 Y81 K82 H158 L159 V160 A165	F79-Q162 HydrophobicContact CE1-CB 4.39Å; Y81-Q162 VanDerWaalsContact CA-OE1 3.3Å; Y81-Q162 HydrophobicContact CD1-CB 4Å; Y81-Q162 HydrophobicContact CE1-CB 4.24Å; K82-Q162 PolarHBondContact O-NE2 3.03Å; K82-Q162 VanDerWaalsContact O-NE2 3.08Å; H158-Q162 PolarHBondContact CD2-NE2 2.79Å; H158-Q162 PolarHBondContact NE2-NE2 2.93Å; H158-Q162 WeakPolarHBondContact O-CG 3.28Å; H158-Q162 PolarHBondContact O-N 2.81Å; L159-Q162 PolarHBondContact O-N 2.79Å; V160-Q162 PolarHBondContact O-N 3.08Å; Q162-A165 WeakPolarHBondContact O-CB 3.32Å; Q162-A165 PolarHBondContact O-N 2.94Å
163	V	98.6	Very high	97.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-46.6	174.5	176.5	0	0	0	0	110.2	F79 Y81 P115 V117 L159 V160 A165 F166 H167	F79-V163 HydrophobicContact CD1-CG2 4.17Å; F79-V163 HydrophobicContact CD2-CG2 4.26Å; F79-V163 HydrophobicContact CE1-CG2 4.1Å; F79-V163 HydrophobicContact CE2-CG1 4.48Å; F79-V163 HydrophobicContact CE2-CG2 4.2Å; F79-V163 HydrophobicContact CG-CG2 4.25Å; F79-V163 HydrophobicContact CZ-CB 4.35Å; F79-V163 HydrophobicContact CZ-CG2 4.12Å; Y81-V163 HydrophobicContact CE1-CG2 4.13Å; P115-V163 HydrophobicContact CB-CG1 3.7Å; V117-V163 HydrophobicContact CG2-CB 3.81Å; V117-V163 HydrophobicContact CG2-CG1 3.78Å; V117-V163 HydrophobicContact CG2-CG2 3.87Å; L159-V163 PolarHBondContact O-N 2.78Å; L159-V163 VanDerWaalsContact O-N 3.12Å; V160-V163 PolarHBondContact O-N 2.89Å; V163-A165 PolarHBondContact O-N 2.96Å; V163-F166 PolarHBondContact O-N 3.11Å; V163-H167 PolarHBondContact O-CD2 2.92Å; V163-H167 VanDerWaalsContact O-CD2 3.3Å; V163-H167 PolarHBondContact O-N 3.01Å; V163-H167 VanDerWaalsContact O-N 3.11Å
164	M	98.5	Very high	97.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-24.8	179.5	-72.1	-50.9	-60.2	0	0	113.7	P115 V160 D161 F166 H167 K168 V174 Y220 K222	P115-M164 HydrophobicContact CG-SD 4Å; V160-M164 HydrophobicContact CG1-CG 4.11Å; V160-M164 VanDerWaalsContact O-CB 3.28Å; V160-M164 WeakPolarHBondContact O-CB 3.36Å; V160-M164 VanDerWaalsContact O-CG 3.25Å; V160-M164 WeakPolarHBondContact O-CG 3.24Å; V160-M164 PolarHBondContact O-N 3.19Å; D161-M164 PolarHBondContact O-N 2.88Å; M164-F166 PolarHBondContact O-N 3.3Å; M164-H167 PolarHBondContact O-N 3.18Å; M164-H167 HydrophobicContact SD-CB 4.19Å; M164-K168 VanDerWaalsContact O-CB 3.22Å; M164-K168 WeakPolarHBondContact O-CB 3.4Å; M164-K168 WeakPolarHBondContact O-CG 3.32Å; M164-K168 PolarHBondContact O-N 3.34Å; M164-V174 HydrophobicContact CE-CG2 3.7Å; M164-V174 HydrophobicContact SD-CB 4.4Å; M164-V174 HydrophobicContact SD-CG1 4.18Å; M164-V174 HydrophobicContact SD-CG2 3.31Å; M164-V174 WeakPolarHBondContact SD-CG2 3.42Å; M164-Y220 HydrophobicContact CB-CD1 4.01Å; M164-Y220 HydrophobicContact CB-CD2 3.97Å; M164-Y220 HydrophobicContact CB-CE1 3.64Å; M164-Y220 HydrophobicContact CB-CE2 3.61Å; M164-Y220 HydrophobicContact CB-CG 4.16Å; M164-Y220 VanDerWaalsContact CB-CZ 3.43Å; M164-Y220 HydrophobicContact CE-CD1 4.21Å; M164-Y220 HydrophobicContact CE-CD2 4.38Å; M164-Y220 HydrophobicContact CE-CG 3.92Å; M164-Y220 HydrophobicContact CG-CD2 3.95Å; M164-Y220 HydrophobicContact CG-CE2 3.91Å; M164-Y220 HydrophobicContact CG-CG 4.33Å; M164-K222 HydrophobicContact CE-CG 3.83Å
165	A	98.2	Very high	97.9	Very high	58 Å²	58	31.6 Å²	31.6	48%	0.479	17%	0.165	S	C	.	.	H	α-helix	trans	-59.4	-28.5	172.7	0	0	0	0	0	113.1	D161 Q162 V163	D161-A165 WeakPolarHBondContact O-CB 3.28Å; D161-A165 PolarHBondContact O-N 2.86Å; Q162-A165 WeakPolarHBondContact O-CB 3.32Å; Q162-A165 PolarHBondContact O-N 2.94Å; V163-A165 PolarHBondContact O-N 2.96Å
166	F	98.5	Very high	98	Very high	29 Å²	29	31.3 Å²	31.3	13%	0.127	16%	0.163	C	C	.	.	H	α-helix	trans	-93.1	-33.5	173.8	-71.9	-104.3	0	0	0	112.5	F79 P80 A96 V99 R100 L103 V163 M164 Y170	F79-F166 HydrophobicContact CE1-CD2 4.25Å; F79-F166 HydrophobicContact CE1-CE2 4.28Å; F79-F166 HydrophobicContact CE2-CD2 4.48Å; F79-F166 HydrophobicContact CZ-CB 4.44Å; F79-F166 AromaticContact CZ-CD2 3.55Å; F79-F166 HydrophobicContact CZ-CD2 3.55Å; F79-F166 AromaticContact CZ-CE2 3.95Å; F79-F166 HydrophobicContact CZ-CE2 3.95Å; F79-F166 HydrophobicContact CZ-CG 4.11Å; P80-F166 HydrophobicContact CG-CZ 4.43Å; A96-F166 HydrophobicContact CB-CE1 4.05Å; A96-F166 HydrophobicContact CB-CZ 3.89Å; V99-F166 HydrophobicContact CB-CD1 4.2Å; V99-F166 HydrophobicContact CB-CE1 4.33Å; V99-F166 HydrophobicContact CG1-CB 4.21Å; V99-F166 HydrophobicContact CG1-CD1 3.7Å; V99-F166 HydrophobicContact CG1-CE1 4.3Å; V99-F166 HydrophobicContact CG1-CG 4.1Å; R100-F166 HydrophobicContact CG-CD1 4.05Å; R100-F166 HydrophobicContact CG-CE1 4.1Å; L103-F166 HydrophobicContact CD1-CB 3.94Å; V163-F166 PolarHBondContact O-N 3.11Å; M164-F166 PolarHBondContact O-N 3.3Å; F166-Y170 WeakPolarHBondContact O-CD2 3.42Å; F166-Y170 WeakPolarHBondContact O-CE2 3.48Å
167	H	98.5	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-92.9	-12.7	-172	-77.3	-102	0	0	0	115.3	W75 L103 P115 V163 M164 D169 Y170	W75-H167 AromaticContact CE2-NE2 3.6Å; W75-H167 AromaticContact CZ2-NE2 3.72Å; W75-H167 AromaticContact NE1-CE1 3.55Å; W75-H167 AromaticContact NE1-NE2 3.06Å; W75-H167 PolarHBondContact NE1-NE2 3.02Å; L103-H167 WeakPolarHBondContact CD2-CE1 3.42Å; P115-H167 HydrophobicContact CB-CB 4.35Å; P115-H167 HydrophobicContact CG-CB 3.81Å; V163-H167 PolarHBondContact O-CD2 2.92Å; V163-H167 VanDerWaalsContact O-CD2 3.3Å; V163-H167 PolarHBondContact O-N 3.01Å; V163-H167 VanDerWaalsContact O-N 3.11Å; M164-H167 PolarHBondContact O-N 3.18Å; M164-H167 HydrophobicContact SD-CB 4.19Å; H167-D169 PolarHBondContact O-N 2.82Å; H167-Y170 PolarHBondContact O-N 2.8Å; H167-Y170 VanDerWaalsContact O-O 3.04Å
168	K	97.7	Very high	97.7	Very high	105 Å²	105	30.3 Å²	30.3	46%	0.457	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33	-174.1	58.6	174.5	-173.3	172.3	0	114.4	M164 Y220 K222	M164-K168 VanDerWaalsContact O-CB 3.22Å; M164-K168 WeakPolarHBondContact O-CB 3.4Å; M164-K168 WeakPolarHBondContact O-CG 3.32Å; M164-K168 PolarHBondContact O-N 3.34Å; K168-Y220 HydrophobicContact CB-CD1 4.1Å; K168-K222 WeakPolarHBondContact O-CE 3.27Å; K168-K222 PolarHBondContact O-NZ 2.96Å
169	D	97.2	Very high	97.5	Very high	125 Å²	125	27.9 Å²	27.9	67%	0.668	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.7	-177.5	-56.9	-45.2	0	0	0	112.7	H167	H167-D169 PolarHBondContact O-N 2.82Å
170	Y	97.7	Very high	97.1	Very high	48 Å²	48	30.4 Å²	30.4	19%	0.188	16%	0.159	C	C	.	.	S	Bend	trans	-113.4	142.5	-178.5	-56.1	-81.1	0	0	0	111.9	L103 D107 F166 H167 K222	L103-Y170 HydrophobicContact CB-CD2 4.11Å; L103-Y170 HydrophobicContact CB-CE1 4.19Å; L103-Y170 HydrophobicContact CB-CE2 3.7Å; L103-Y170 HydrophobicContact CD1-CD2 4.04Å; L103-Y170 HydrophobicContact CD1-CE2 3.88Å; L103-Y170 HydrophobicContact CG-CE2 4.39Å; D107-Y170 HydrophobicContact CB-CD1 3.92Å; D107-Y170 HydrophobicContact CB-CE1 3.74Å; F166-Y170 WeakPolarHBondContact O-CD2 3.42Å; F166-Y170 WeakPolarHBondContact O-CE2 3.48Å; H167-Y170 PolarHBondContact O-N 2.8Å; H167-Y170 VanDerWaalsContact O-O 3.04Å; Y170-K222 PolarHBondContact O-NZ 3.23Å
171	G	95.6	Very high	96.8	Very high	20 Å²	20	30.5 Å²	30.5	21%	0.206	16%	0.16	C	C	.	.			trans	57.8	-173.1	174.6	0	0	0	0	0	115.2	V113 K222	V113-G171 WeakPolarHBondContact O-CA 3.42Å; G171-K222 PolarHBondContact O-NZ 3.42Å
172	Q	96.2	Very high	96.3	Very high	111 Å²	111	36.3 Å²	36.3	52%	0.519	18%	0.18	S	C	.	.	S	Bend	trans	-124	-2.3	179.1	-61.1	-61.2	-48.8	0	0	113.1	N223	Q172-N223 PolarHBondContact O-N 2.91Å
173	F	97.8	Very high	95.8	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.8	-171.8	-62.7	-86.2	0	0	0	111.3	I114 P115 N223 L225 W279	I114-F173 HydrophobicContact CD1-CB 4.15Å; I114-F173 HydrophobicContact CG1-CB 4.14Å; I114-F173 HydrophobicContact CG2-CB 3.88Å; P115-F173 WeakPolarHBondContact CD-O 3.49Å; F173-N223 CarbonylContact C-O 3.38Å; F173-N223 VanDerWaalsContact CA-O 3.3Å; F173-N223 WeakPolarHBondContact CA-O 3.21Å; F173-N223 HydrophobicContact CD1-CB 3.45Å; F173-N223 VanDerWaalsContact CD1-CB 3.45Å; F173-N223 HydrophobicContact CE1-CB 3.52Å; F173-N223 HydrophobicContact CG-CB 4.38Å; F173-N223 HydrophobicContact CZ-CB 4.5Å; F173-L225 HydrophobicContact CB-CD1 4.16Å; F173-L225 HydrophobicContact CB-CG 4.17Å; F173-L225 HydrophobicContact CD1-CD1 4.41Å; F173-L225 HydrophobicContact CD1-CD2 3.65Å; F173-L225 HydrophobicContact CD1-CG 4.01Å; F173-L225 HydrophobicContact CE1-CD2 4.21Å; F173-L225 HydrophobicContact CG-CD1 4.45Å; F173-L225 HydrophobicContact CG-CD2 4.46Å; F173-L225 HydrophobicContact CG-CG 4.42Å; F173-W279 HydrophobicContact CD1-CZ2 4.08Å; F173-W279 HydrophobicContact CD2-CH2 4.42Å; F173-W279 HydrophobicContact CD2-CZ2 4.49Å; F173-W279 HydrophobicContact CE1-CH2 4.41Å; F173-W279 AromaticContact CE1-CZ2 3.61Å; F173-W279 HydrophobicContact CE1-CZ2 3.61Å; F173-W279 HydrophobicContact CE2-CH2 4.11Å; F173-W279 HydrophobicContact CE2-CZ2 4.07Å; F173-W279 HydrophobicContact CZ-CH2 4.11Å; F173-W279 AromaticContact CZ-CZ2 3.61Å; F173-W279 HydrophobicContact CZ-CZ2 3.61Å
174	V	98.3	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.3	168.8	177.2	0	0	0	0	107	P115 M164 I176 V216 K222 N223 V224 L225	P115-V174 HydrophobicContact CG-CB 4.44Å; P115-V174 HydrophobicContact CG-CG1 4.24Å; P115-V174 HydrophobicContact CG-CG2 4.1Å; M164-V174 HydrophobicContact CE-CG2 3.7Å; M164-V174 HydrophobicContact SD-CB 4.4Å; M164-V174 HydrophobicContact SD-CG1 4.18Å; M164-V174 HydrophobicContact SD-CG2 3.31Å; M164-V174 WeakPolarHBondContact SD-CG2 3.42Å; V174-I176 HydrophobicContact CG1-CG2 4.44Å; V174-V216 HydrophobicContact CB-CG1 4.07Å; V174-V216 HydrophobicContact CG2-CG1 3.98Å; V174-K222 HydrophobicContact CG2-CB 3.75Å; V174-K222 HydrophobicContact CG2-CG 3.93Å; V174-N223 PolarHBondContact N-O 3.23Å; V174-V224 CarbonylContact O-C 3.56Å; V174-V224 WeakPolarHBondContact O-CA 3.25Å; V174-L225 PolarHBondContact O-N 3.46Å
175	H	98.2	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122	175.4	-163.8	-66.4	0	0	0	109.8	L72 I114 P115 L116 V117 G177 L225 W227	L72-H175 HydrophobicContact CD1-CB 3.75Å; I114-H175 HydrophobicContact CG2-CB 4.41Å; P115-H175 PolarHBondContact O-N 3.03Å; L116-H175 CarbonylContact C-O 3.49Å; L116-H175 VanDerWaalsContact CA-O 3.28Å; L116-H175 WeakPolarHBondContact CA-O 3.4Å; L116-H175 HydrophobicContact CB-CB 4Å; L116-H175 HydrophobicContact CD1-CB 4.18Å; L116-H175 WeakPolarHBondContact CD1-ND1 3.02Å; L116-H175 HydrophobicContact CG-CB 3.89Å; V117-H175 PolarHBondContact N-O 2.77Å; H175-G177 VanDerWaalsContact C-N 3.35Å; H175-G177 PolarHBondContact ND1-N 2.98Å; H175-L225 CarbonylContact C-O 2.95Å; H175-L225 WeakPolarHBondContact CA-O 3.37Å; H175-L225 HydrophobicContact CB-CB 4.07Å; H175-L225 VanDerWaalsContact CD2-CB 3.4Å; H175-L225 WeakPolarHBondContact CD2-CB 3.35Å; H175-W227 AromaticContact CE1-CD1 3.5Å; H175-W227 AromaticContact CE1-CD2 3.49Å; H175-W227 VanDerWaalsContact CE1-CD2 3.49Å; H175-W227 AromaticContact CE1-CE2 3.49Å; H175-W227 VanDerWaalsContact CE1-CE2 3.49Å; H175-W227 AromaticContact CE1-CG 3.56Å; H175-W227 PolarHBondContact CE1-N 3.44Å; H175-W227 AromaticContact CE1-NE1 3.52Å; H175-W227 AromaticContact NE2-CD2 3.63Å; H175-W227 AromaticContact NE2-CE2 3.84Å; H175-W227 AromaticContact NE2-CE3 3.82Å
176	I	98.3	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.			trans	-95.2	9.6	-175.5	62.1	162.9	0	0	0	113.5	V117 T119 V174 A178 I209 V212 V224 L225 M226	V117-I176 CarbonylContact O-C 3.46Å; V117-I176 VanDerWaalsContact O-CA 3.28Å; V117-I176 WeakPolarHBondContact O-CA 3.24Å; T119-I176 HydrophobicContact CG2-CB 4.04Å; T119-I176 PolarHBondContact N-O 2.76Å; T119-I176 PolarHBondContact OG1-O 2.78Å; V174-I176 HydrophobicContact CG1-CG2 4.44Å; I176-A178 PolarHBondContact O-N 2.73Å; I176-I209 HydrophobicContact CD1-CG2 4.28Å; I176-V212 HydrophobicContact CB-CG1 4.18Å; I176-V212 HydrophobicContact CD1-CG1 4.26Å; I176-V212 HydrophobicContact CG2-CG1 3.8Å; I176-V224 HydrophobicContact CB-CG1 4.34Å; I176-V224 HydrophobicContact CD1-CG1 3.76Å; I176-V224 HydrophobicContact CG1-CG1 3.72Å; I176-V224 HydrophobicContact CG2-CG1 3.72Å; I176-L225 WeakPolarHBondContact CG1-O 3.19Å; I176-L225 PolarHBondContact N-O 3.33Å; I176-M226 HydrophobicContact CD1-CB 4.35Å; I176-M226 HydrophobicContact CG1-CB 3.88Å
177	G	96.3	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.			trans	69.3	-115.2	-179	0	0	0	0	0	110	V117 H175 W227	V117-G177 PolarHBondContact O-N 3.34Å; H175-G177 VanDerWaalsContact C-N 3.35Å; H175-G177 PolarHBondContact ND1-N 2.98Å; G177-W227 PolarHBondContact O-N 3.17Å
178	A	95.2	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.			trans	68.3	37.3	178.5	0	0	0	0	0	113.8	I120 I176 M226 M230	I120-A178 HydrophobicContact CD1-CB 3.71Å; I120-A178 HydrophobicContact CG1-CB 4.12Å; I176-A178 PolarHBondContact O-N 2.73Å; A178-M226 HydrophobicContact CB-CE 4.16Å; A178-M230 WeakPolarHBondContact O-CB 3.49Å; A178-M230 WeakPolarHBondContact O-CG 3.26Å
179	D	93.3	Very high	95	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	22%	0.224	C	C	.	.			trans	-95.4	157.4	168.3	49.8	-30.3	0	0	0	112.9	Q118 H122 V181 W227 D229	Q118-D179 PolarHBondContact NE2-OD1 2.81Å; Q118-D179 PolarHBondContact OE1-OD1 3.34Å; H122-D179 IonicContact CD2-OD1 2.9Å; H122-D179 PolarHBondContact CD2-OD1 3.32Å; H122-D179 IonicContact CD2-OD2 2.86Å; H122-D179 IonicContact NE2-OD1 3.45Å; H122-D179 IonicContact NE2-OD2 3.53Å; H122-D179 PolarHBondContact NE2-OD2 3.13Å; D179-V181 VanDerWaalsContact O-CG2 3.28Å; D179-V181 WeakPolarHBondContact O-CG2 3.42Å; D179-V181 PolarHBondContact O-N 3.13Å; D179-W227 HydrophobicContact CB-CB 3.68Å; D179-W227 HydrophobicContact CB-CG 3.7Å; D179-W227 PolarHBondContact OD2-NE1 3.09Å; D179-D229 WeakPolarHBondContact CA-OD1 3.46Å; D179-D229 WeakPolarHBondContact CA-OD2 3.22Å
180	E	90.1	Very high	95	Very high	55 Å²	55	39.7 Å²	39.7	26%	0.257	19%	0.192	S	C	.	.			trans	51.6	32.8	164.4	-59.1	-165.6	141.8	0	0	114.9	H122 Y182 D229 W253	H122-E180 IonicContact CE1-OE2 2.96Å; H122-E180 IonicContact NE2-OE2 3.35Å; E180-Y182 VanDerWaalsContact C-N 3.32Å; E180-Y182 HydrophobicContact CB-CD2 4.49Å; E180-Y182 HydrophobicContact CB-CE2 3.73Å; E180-Y182 HydrophobicContact CG-CE2 4.42Å; E180-Y182 WeakPolarHBondContact O-CD2 3.44Å; E180-Y182 WeakPolarHBondContact O-CE2 3.41Å; E180-Y182 PolarHBondContact O-N 3.01Å; E180-D229 PolarHBondContact N-OD2 3.45Å; E180-W253 HydrophobicContact CG-CZ2 4.04Å; E180-W253 WeakPolarHBondContact OE1-CH2 3.42Å
181	V	91.7	Very high	95	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.199	C	C	.	.			trans	-82.6	77.3	179.1	-166.3	0	0	0	0	110	I120 D179 Q183 Y184 M230	I120-V181 HydrophobicContact CB-CG2 3.91Å; I120-V181 HydrophobicContact CG2-CB 4.36Å; I120-V181 HydrophobicContact CG2-CG1 3.76Å; I120-V181 HydrophobicContact CG2-CG2 3.75Å; D179-V181 VanDerWaalsContact O-CG2 3.28Å; D179-V181 WeakPolarHBondContact O-CG2 3.42Å; D179-V181 PolarHBondContact O-N 3.13Å; V181-Q183 VanDerWaalsContact C-N 3.34Å; V181-Q183 PolarHBondContact O-N 2.92Å; V181-Y184 HydrophobicContact CG1-CD1 4.26Å; V181-Y184 WeakPolarHBondContact O-CD1 3.43Å; V181-Y184 WeakPolarHBondContact O-CE1 3.43Å; V181-M230 HydrophobicContact CB-CE 3.85Å; V181-M230 HydrophobicContact CB-CG 4.39Å; V181-M230 HydrophobicContact CB-SD 3.81Å; V181-M230 HydrophobicContact CG2-CG 4.22Å; V181-M230 HydrophobicContact CG2-SD 4.25Å; V181-M230 PolarHBondContact N-SD 2.79Å; V181-M230 VanDerWaalsContact N-SD 3.45Å; V181-M230 WeakPolarHBondContact O-CE 3.45Å
182	Y	87	Confident	95.1	Very high	154 Å²	154	41.9 Å²	41.9	60%	0.604	21%	0.212	S	C	*	.			trans	-70	-30.2	-179.2	-58.1	-71.6	0	0	0	113.3	E180 R201	E180-Y182 VanDerWaalsContact C-N 3.32Å; E180-Y182 HydrophobicContact CB-CD2 4.49Å; E180-Y182 HydrophobicContact CB-CE2 3.73Å; E180-Y182 HydrophobicContact CG-CE2 4.42Å; E180-Y182 WeakPolarHBondContact O-CD2 3.44Å; E180-Y182 WeakPolarHBondContact O-CE2 3.41Å; E180-Y182 PolarHBondContact O-N 3.01Å; Y182-R201 PolarHBondContact O-NH2 3.5Å
183	Q	88	Confident	95.2	Very high	47 Å²	47	40.7 Å²	40.7	22%	0.22	20%	0.203	C	C	.	.	S	Bend	trans	-113.3	107	-178	-67.4	177.9	-27.9	0	0	110.3	N138 N141 S144 V181	N138-Q183 PolarHBondContact ND2-NE2 3.06Å; N138-Q183 PolarHBondContact ND2-OE1 2.89Å; N141-Q183 VanDerWaalsContact CB-OE1 3.25Å; N141-Q183 PolarHBondContact ND2-OE1 3.3Å; S144-Q183 PolarHBondContact OG-O 3.38Å; V181-Q183 VanDerWaalsContact C-N 3.34Å; V181-Q183 PolarHBondContact O-N 2.92Å
184	Y	93.5	Very high	95.2	Very high	31 Å²	31	41.4 Å²	41.4	12%	0.122	21%	0.206	C	C	.	.			trans	-155.2	149.4	176.4	68.8	-79.3	0	0	0	109.7	V181 E186 R201 L205 M230	V181-Y184 HydrophobicContact CG1-CD1 4.26Å; V181-Y184 WeakPolarHBondContact O-CD1 3.43Å; V181-Y184 WeakPolarHBondContact O-CE1 3.43Å; Y184-E186 VanDerWaalsContact C-N 3.26Å; Y184-E186 PolarHBondContact O-N 3.01Å; Y184-R201 HydrophobicContact CD2-CG 3.72Å; Y184-R201 VanDerWaalsContact CE1-NE 3.26Å; Y184-R201 VanDerWaalsContact CE1-NH2 3.33Å; Y184-R201 HydrophobicContact CE2-CB 4.18Å; Y184-R201 HydrophobicContact CE2-CG 3.44Å; Y184-R201 VanDerWaalsContact CE2-CG 3.44Å; Y184-R201 WeakPolarHBondContact CE2-O 3.43Å; Y184-R201 VanDerWaalsContact N-NH2 3.14Å; Y184-R201 PolarHBondContact O-NE 3.07Å; Y184-R201 PolarHBondContact O-NH1 2.9Å; Y184-R201 PolarHBondContact O-NH2 3.37Å; Y184-L205 HydrophobicContact CD2-CB 3.95Å; Y184-L205 HydrophobicContact CD2-CD1 4.36Å; Y184-L205 HydrophobicContact CE2-CB 3.81Å; Y184-L205 HydrophobicContact CE2-CD2 4.08Å; Y184-L205 HydrophobicContact CE2-CG 4.42Å; Y184-M230 HydrophobicContact CD1-CE 4.11Å; Y184-M230 HydrophobicContact CE1-CE 3.61Å
185	G	95.3	Very high	95.2	Very high	6 Å²	6	46.3 Å²	46.3	6%	0.062	23%	0.233	C	C	.	.	S	Bend	trans	74.4	10.4	178.9	0	0	0	0	0	115.5	E137 M194	E137-G185 WeakPolarHBondContact OE1-CA 3.18Å; E137-G185 PolarHBondContact OE1-N 2.79Å; G185-M194 WeakPolarHBondContact O-CE 3.24Å
186	E	94.9	Very high	95.2	Very high	92 Å²	92	55 Å²	55	43%	0.43	27%	0.27	S	S	.	.			trans	-105.7	-26.2	-172.5	-68.9	168.4	-159.1	0	0	112.4	E137 Y184 R201	E137-E186 PolarHBondContact OE1-N 3.44Å; Y184-E186 VanDerWaalsContact C-N 3.26Å; Y184-E186 PolarHBondContact O-N 3.01Å; E186-R201 IonicContact OE1-CZ 3.33Å; E186-R201 IonicContact OE1-NH1 2.78Å; E186-R201 PolarHBondContact OE1-NH1 3.49Å; E186-R201 IonicContact OE1-NH2 3.09Å; E186-R201 PolarHBondContact OE1-NH2 3.29Å; E186-R201 VanDerWaalsContact OE1-NH2 3.09Å
187	C	96.6	Very high	95.1	Very high	16 Å²	16	58.5 Å²	58.5	11%	0.108	29%	0.287	C	S	.	.	S	Bend	trans	-71.7	158	-178.6	87	0	0	0	0	111.9	E137 C146 R189 C190 V191	E137-C187 WeakPolarHBondContact O-CB 3.22Å; E137-C187 PolarHBondContact OE1-N 3.03Å; E137-C187 PolarHBondContact OE2-SG 3.04Å; E137-C187 VanDerWaalsContact OE2-SG 3.4Å; C146-C187 PolarHBondContact SG-SG 3.42Å; C187-R189 PolarHBondContact O-N 2.98Å; C187-R189 VanDerWaalsContact O-N 3.15Å; C187-C190 PolarHBondContact O-N 2.97Å; C187-C190 PolarHBondContact SG-N 3.41Å; C187-C190 PolarHBondContact SG-SG 3Å; C187-V191 WeakPolarHBondContact O-CG2 3.2Å; C187-V191 PolarHBondContact O-N 3.08Å
188	S	96.8	Very high	95.2	Very high	100 Å²	100	66.9 Å²	66.9	70%	0.699	32%	0.324	S	S	*	.	H	α-helix	trans	-56.1	-36.3	-177.5	58.8	0	0	0	0	113.5	A192	S188-A192 WeakPolarHBondContact O-CB 3.03Å; S188-A192 PolarHBondContact O-N 2.9Å
189	R	97.2	Very high	95.2	Very high	123 Å²	123	67.9 Å²	67.9	46%	0.464	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-46.5	176.2	-63.6	-176.2	-177.3	98.4	-2.8	111.6	S134 C187 A192 R193	S134-R189 PolarHBondContact O-NH1 2.97Å; C187-R189 PolarHBondContact O-N 2.98Å; C187-R189 VanDerWaalsContact O-N 3.15Å; R189-A192 PolarHBondContact O-N 3.38Å; R189-R193 WeakPolarHBondContact O-CB 3.23Å; R189-R193 PolarHBondContact O-N 3.19Å
190	C	97.8	Very high	95.3	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.9	-46	178.8	-70.8	0	0	0	0	111.5	E137 C146 S148 C187 A192 R193 M194 L204	E137-C190 PolarHBondContact OE2-SG 2.91Å; C146-C190 VanDerWaalsContact SG-SG 3.6Å; S148-C190 VanDerWaalsContact CB-SG 3.53Å; S148-C190 WeakPolarHBondContact OG-CA 3.46Å; S148-C190 PolarHBondContact OG-SG 3.41Å; C187-C190 PolarHBondContact O-N 2.97Å; C187-C190 PolarHBondContact SG-N 3.41Å; C187-C190 PolarHBondContact SG-SG 3Å; C190-A192 PolarHBondContact O-N 3.13Å; C190-R193 PolarHBondContact O-N 3.1Å; C190-M194 WeakPolarHBondContact O-CG 3.16Å; C190-M194 PolarHBondContact O-N 2.95Å; C190-L204 HydrophobicContact CB-CD2 3.66Å
191	V	97.8	Very high	95.5	Very high	56 Å²	56	73.5 Å²	73.5	34%	0.339	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-46.7	175.2	173.3	0	0	0	0	111.1	C187 R193 M194 N195	C187-V191 WeakPolarHBondContact O-CG2 3.2Å; C187-V191 PolarHBondContact O-N 3.08Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 2.64Å; V191-M194 HydrophobicContact CG2-CE 4.45Å; V191-M194 PolarHBondContact O-N 3.15Å; V191-N195 WeakPolarHBondContact O-CB 3.29Å; V191-N195 VanDerWaalsContact O-CG 3.27Å; V191-N195 PolarHBondContact O-N 3.45Å; V191-N195 PolarHBondContact O-ND2 2.82Å
192	A	97.8	Very high	95.6	Very high	57 Å²	57	76.7 Å²	76.7	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.2	0	0	0	0	0	112	S188 R189 C190 N195 K196	S188-A192 WeakPolarHBondContact O-CB 3.03Å; S188-A192 PolarHBondContact O-N 2.9Å; R189-A192 PolarHBondContact O-N 3.38Å; C190-A192 PolarHBondContact O-N 3.13Å; A192-N195 PolarHBondContact O-N 2.99Å; A192-K196 VanDerWaalsContact O-CB 3.27Å; A192-K196 WeakPolarHBondContact O-CB 3.31Å; A192-K196 PolarHBondContact O-N 3.15Å
193	R	97.7	Very high	96.1	Very high	86 Å²	86	69.6 Å²	69.6	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-64.6	-47.7	177.9	-169.7	175.4	-172.7	178.4	1.2	112	S148 R189 C190 V191 N195 K196 E197	S148-R193 WeakPolarHBondContact OG-CD 3.2Å; R189-R193 WeakPolarHBondContact O-CB 3.23Å; R189-R193 PolarHBondContact O-N 3.19Å; C190-R193 PolarHBondContact O-N 3.1Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 2.64Å; R193-N195 VanDerWaalsContact C-N 3.32Å; R193-N195 PolarHBondContact O-N 3.26Å; R193-K196 PolarHBondContact O-N 2.94Å; R193-E197 HydrophobicContact CG-CG 4.46Å; R193-E197 WeakPolarHBondContact CG-OE1 3.25Å; R193-E197 IonicContact CZ-OE1 3.69Å; R193-E197 IonicContact NE-OE1 2.77Å; R193-E197 PolarHBondContact NE-OE1 3.04Å; R193-E197 IonicContact NH2-OE1 3.7Å; R193-E197 WeakPolarHBondContact O-CB 3.49Å; R193-E197 PolarHBondContact O-N 3.32Å
194	M	97.8	Very high	96.5	Very high	27 Å²	27	67.4 Å²	67.4	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-42.8	177.1	-71.2	-169.8	-58.8	0	0	111.7	G185 C190 V191 K198 L199 R201 L204	G185-M194 WeakPolarHBondContact O-CE 3.24Å; C190-M194 WeakPolarHBondContact O-CG 3.16Å; C190-M194 PolarHBondContact O-N 2.95Å; V191-M194 HydrophobicContact CG2-CE 4.45Å; V191-M194 PolarHBondContact O-N 3.15Å; M194-K198 VanDerWaalsContact O-CA 3.27Å; M194-K198 WeakPolarHBondContact O-CA 3.36Å; M194-K198 PolarHBondContact O-N 3.28Å; M194-L199 HydrophobicContact CB-CB 4.46Å; M194-L199 HydrophobicContact CG-CB 4.25Å; M194-L199 PolarHBondContact O-N 3.06Å; M194-R201 HydrophobicContact SD-CB 4.33Å; M194-L204 HydrophobicContact CG-CB 4.47Å; M194-L204 HydrophobicContact CG-CD2 4.46Å
195	N	97.8	Very high	96.6	Very high	104 Å²	104	66 Å²	66	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-66.1	-42.4	178.2	-74.7	-23.3	0	0	0	113.2	V191 A192 R193 K198	V191-N195 WeakPolarHBondContact O-CB 3.29Å; V191-N195 VanDerWaalsContact O-CG 3.27Å; V191-N195 PolarHBondContact O-N 3.45Å; V191-N195 PolarHBondContact O-ND2 2.82Å; A192-N195 PolarHBondContact O-N 2.99Å; R193-N195 VanDerWaalsContact C-N 3.32Å; R193-N195 PolarHBondContact O-N 3.26Å; N195-K198 PolarHBondContact O-NZ 3.48Å
196	K	97.8	Very high	96.7	Very high	181 Å²	181	65.9 Å²	65.9	79%	0.787	32%	0.316	S	S	*	.	H	α-helix	trans	-66.1	-44.8	179.1	-179.8	-177.7	177	-176.5	0	111.5	A192 R193	A192-K196 VanDerWaalsContact O-CB 3.27Å; A192-K196 WeakPolarHBondContact O-CB 3.31Å; A192-K196 PolarHBondContact O-N 3.15Å; R193-K196 PolarHBondContact O-N 2.94Å
197	E	97.4	Very high	96.8	Very high	75 Å²	75	65.1 Å²	65.1	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-99.4	2.1	-171.7	-62.4	-173.3	-133.8	0	0	113.8	R193 L199 R207	R193-E197 HydrophobicContact CG-CG 4.46Å; R193-E197 WeakPolarHBondContact CG-OE1 3.25Å; R193-E197 IonicContact CZ-OE1 3.69Å; R193-E197 IonicContact NE-OE1 2.77Å; R193-E197 PolarHBondContact NE-OE1 3.04Å; R193-E197 IonicContact NH2-OE1 3.7Å; R193-E197 WeakPolarHBondContact O-CB 3.49Å; R193-E197 PolarHBondContact O-N 3.32Å; E197-L199 HydrophobicContact CB-CD1 3.72Å; E197-L199 HydrophobicContact CB-CD2 4.23Å; E197-L199 HydrophobicContact CB-CG 3.66Å; E197-L199 PolarHBondContact O-N 3.17Å; E197-R207 IonicContact OE2-CZ 3.17Å; E197-R207 IonicContact OE2-NH1 3.06Å; E197-R207 PolarHBondContact OE2-NH1 3.4Å; E197-R207 IonicContact OE2-NH2 3.56Å; E197-R207 PolarHBondContact OE2-NH2 3.26Å
198	K	96.9	Very high	96.8	Very high	176 Å²	176	64.7 Å²	64.7	77%	0.765	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	48.5	-178.4	-53.4	-56.3	-178.7	-163.6	0	112.8	M194 N195	M194-K198 VanDerWaalsContact O-CA 3.27Å; M194-K198 WeakPolarHBondContact O-CA 3.36Å; M194-K198 PolarHBondContact O-N 3.28Å; N195-K198 PolarHBondContact O-NZ 3.48Å
199	L	96	Very high	96.9	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	27%	0.272	C	S	.	.			trans	-101.7	146.6	-177.8	-53	173.6	0	0	0	111.1	M194 E197 D203 R207	M194-L199 HydrophobicContact CB-CB 4.46Å; M194-L199 HydrophobicContact CG-CB 4.25Å; M194-L199 PolarHBondContact O-N 3.06Å; E197-L199 HydrophobicContact CB-CD1 3.72Å; E197-L199 HydrophobicContact CB-CD2 4.23Å; E197-L199 HydrophobicContact CB-CG 3.66Å; E197-L199 PolarHBondContact O-N 3.17Å; L199-D203 HydrophobicContact CB-CB 3.9Å; L199-D203 HydrophobicContact CD2-CB 4.23Å; L199-R207 VanDerWaalsContact CD2-CZ 3.5Å
200	R	95.1	Very high	96.9	Very high	116 Å²	116	54.8 Å²	54.8	44%	0.438	25%	0.254	S	S	.	.			trans	-77.9	169.7	163.3	-53.3	-177	-69.6	175.7	-2.6	110.3	E202 D203 L204 D235 L238	R200-E202 VanDerWaalsContact C-N 3.29Å; R200-E202 VanDerWaalsContact CB-OE2 3.28Å; R200-E202 WeakPolarHBondContact CB-OE2 3.39Å; R200-E202 PolarHBondContact O-N 2.98Å; R200-D203 VanDerWaalsContact CB-OD2 3.27Å; R200-D203 WeakPolarHBondContact CB-OD2 3.4Å; R200-D203 WeakPolarHBondContact CG-OD2 3.35Å; R200-D203 PolarHBondContact N-OD2 3.39Å; R200-D203 IonicContact NE-OD2 2.74Å; R200-D203 PolarHBondContact NE-OD2 3.47Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.46Å; R200-L204 PolarHBondContact O-N 3.07Å; R200-D235 IonicContact CZ-OD1 3.85Å; R200-D235 IonicContact NH1-OD1 3.94Å; R200-D235 IonicContact NH2-OD1 3.57Å; R200-D235 PolarHBondContact NH2-OD1 2.9Å; R200-D235 VanDerWaalsContact NH2-OD1 3.17Å; R200-L238 VanDerWaalsContact NH2-CD2 3.28Å
201	R	94.4	Very high	97	Very high	73 Å²	73	58 Å²	58	28%	0.275	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-41.6	177.3	-159.1	-170	152.8	138.9	-4.2	110.7	Y182 Y184 E186 M194 L204 L205	Y182-R201 PolarHBondContact O-NH2 3.5Å; Y184-R201 HydrophobicContact CD2-CG 3.72Å; Y184-R201 VanDerWaalsContact CE1-NE 3.26Å; Y184-R201 VanDerWaalsContact CE1-NH2 3.33Å; Y184-R201 HydrophobicContact CE2-CB 4.18Å; Y184-R201 HydrophobicContact CE2-CG 3.44Å; Y184-R201 VanDerWaalsContact CE2-CG 3.44Å; Y184-R201 WeakPolarHBondContact CE2-O 3.43Å; Y184-R201 VanDerWaalsContact N-NH2 3.14Å; Y184-R201 PolarHBondContact O-NE 3.07Å; Y184-R201 PolarHBondContact O-NH1 2.9Å; Y184-R201 PolarHBondContact O-NH2 3.37Å; E186-R201 IonicContact OE1-CZ 3.33Å; E186-R201 IonicContact OE1-NH1 2.78Å; E186-R201 PolarHBondContact OE1-NH1 3.49Å; E186-R201 IonicContact OE1-NH2 3.09Å; E186-R201 PolarHBondContact OE1-NH2 3.29Å; E186-R201 VanDerWaalsContact OE1-NH2 3.09Å; M194-R201 HydrophobicContact SD-CB 4.33Å; R201-L204 WeakPolarHBondContact O-CB 3.49Å; R201-L204 PolarHBondContact O-N 3.36Å; R201-L205 PolarHBondContact O-N 2.97Å
202	E	94.9	Very high	97	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-38.1	178.2	-57.4	78.4	-174	0	0	111.6	R200 L204 L205 L206 I234 L238	R200-E202 VanDerWaalsContact C-N 3.29Å; R200-E202 VanDerWaalsContact CB-OE2 3.28Å; R200-E202 WeakPolarHBondContact CB-OE2 3.39Å; R200-E202 PolarHBondContact O-N 2.98Å; E202-L204 VanDerWaalsContact C-N 3.25Å; E202-L204 PolarHBondContact O-N 3.37Å; E202-L205 PolarHBondContact O-N 3.41Å; E202-L206 WeakPolarHBondContact O-CB 3.33Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.43Å; E202-L206 PolarHBondContact O-N 2.73Å; E202-I234 HydrophobicContact CG-CG2 4.47Å; E202-L238 HydrophobicContact CB-CD2 3.74Å
203	D	96.6	Very high	97.1	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-41.3	174.1	-76.1	-79.2	0	0	0	111.1	L199 R200 R207 K241 Y242	L199-D203 HydrophobicContact CB-CB 3.9Å; L199-D203 HydrophobicContact CD2-CB 4.23Å; R200-D203 VanDerWaalsContact CB-OD2 3.27Å; R200-D203 WeakPolarHBondContact CB-OD2 3.4Å; R200-D203 WeakPolarHBondContact CG-OD2 3.35Å; R200-D203 PolarHBondContact N-OD2 3.39Å; R200-D203 IonicContact NE-OD2 2.74Å; R200-D203 PolarHBondContact NE-OD2 3.47Å; R200-D203 WeakPolarHBondContact O-CB 3.48Å; R200-D203 PolarHBondContact O-N 3.46Å; D203-R207 WeakPolarHBondContact O-CB 3.47Å; D203-R207 VanDerWaalsContact O-CD 3.29Å; D203-R207 WeakPolarHBondContact O-CD 3.41Å; D203-R207 WeakPolarHBondContact O-CG 3.13Å; D203-R207 PolarHBondContact O-N 3.1Å; D203-K241 IonicContact OD1-NZ 2.69Å; D203-K241 PolarHBondContact OD1-NZ 3.41Å; D203-Y242 HydrophobicContact CB-CE2 4.35Å; D203-Y242 WeakPolarHBondContact CB-OH 3.29Å; D203-Y242 WeakPolarHBondContact OD1-CE2 3.26Å; D203-Y242 PolarHBondContact OD1-OH 3.21Å
204	L	95.9	Very high	97.1	Very high	2 Å²	2	54 Å²	54	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-45.6	179.8	-171.1	73.8	0	0	0	111.7	V147 S148 C190 M194 R200 R201 E202 H208	V147-L204 HydrophobicContact CG2-CD1 4.41Å; V147-L204 HydrophobicContact CG2-CD2 3.71Å; V147-L204 HydrophobicContact CG2-CG 3.67Å; S148-L204 WeakPolarHBondContact OG-CD1 3.42Å; C190-L204 HydrophobicContact CB-CD2 3.66Å; M194-L204 HydrophobicContact CG-CB 4.47Å; M194-L204 HydrophobicContact CG-CD2 4.46Å; R200-L204 PolarHBondContact O-N 3.07Å; R201-L204 WeakPolarHBondContact O-CB 3.49Å; R201-L204 PolarHBondContact O-N 3.36Å; E202-L204 VanDerWaalsContact C-N 3.25Å; E202-L204 PolarHBondContact O-N 3.37Å; L204-H208 PolarHBondContact O-N 3.39Å
205	L	95.8	Very high	97.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-49.2	177.6	-176.4	72.1	0	0	0	111.8	I120 Y184 R201 E202 R207 H208 I209 M230	I120-L205 HydrophobicContact CD1-CD1 3.7Å; I120-L205 HydrophobicContact CG2-CD1 4.19Å; Y184-L205 HydrophobicContact CD2-CB 3.95Å; Y184-L205 HydrophobicContact CD2-CD1 4.36Å; Y184-L205 HydrophobicContact CE2-CB 3.81Å; Y184-L205 HydrophobicContact CE2-CD2 4.08Å; Y184-L205 HydrophobicContact CE2-CG 4.42Å; R201-L205 PolarHBondContact O-N 2.97Å; E202-L205 PolarHBondContact O-N 3.41Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 PolarHBondContact O-N 2.84Å; L205-H208 WeakPolarHBondContact O-CB 3.04Å; L205-H208 PolarHBondContact O-N 3.34Å; L205-H208 VanDerWaalsContact O-N 3.08Å; L205-I209 HydrophobicContact CD2-CD1 4.48Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 PolarHBondContact O-N 2.68Å; L205-M230 HydrophobicContact CD1-CE 4.45Å; L205-M230 HydrophobicContact CD2-CB 4.01Å; L205-M230 HydrophobicContact CD2-CE 3.38Å
206	L	97.1	Very high	97.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-35.8	-178.8	-71.4	176	0	0	0	112.1	E202 H208 I209 V210 I231 I234 L238 Y242 L244	E202-L206 WeakPolarHBondContact O-CB 3.33Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.43Å; E202-L206 PolarHBondContact O-N 2.73Å; L206-H208 VanDerWaalsContact C-N 3.28Å; L206-H208 PolarHBondContact O-N 2.96Å; L206-I209 HydrophobicContact CD2-CD1 4.24Å; L206-I209 PolarHBondContact O-N 3.47Å; L206-V210 WeakPolarHBondContact O-CB 3.45Å; L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.26Å; L206-I231 HydrophobicContact CD2-CG2 3.77Å; L206-I234 HydrophobicContact CD1-CD1 4.03Å; L206-I234 HydrophobicContact CD2-CD1 4.12Å; L206-L238 HydrophobicContact CD1-CD1 4.36Å; L206-L238 HydrophobicContact CD1-CD2 3.47Å; L206-L238 VanDerWaalsContact CD1-CD2 3.47Å; L206-L238 HydrophobicContact CD1-CG 3.51Å; L206-Y242 HydrophobicContact CB-CD1 4.39Å; L206-Y242 HydrophobicContact CB-CD2 3.71Å; L206-Y242 HydrophobicContact CB-CE2 4.02Å; L206-Y242 HydrophobicContact CB-CG 3.91Å; L206-Y242 HydrophobicContact CD1-CD2 3.6Å; L206-Y242 HydrophobicContact CD1-CE2 4.09Å; L206-Y242 HydrophobicContact CD1-CG 4.39Å; L206-Y242 HydrophobicContact CG-CD2 4.31Å; L206-L244 HydrophobicContact CD2-CD1 3.87Å; L206-L244 HydrophobicContact CD2-CD2 4.21Å
207	R	97.1	Very high	97.2	Very high	76 Å²	76	43.8 Å²	43.8	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-59	-40.6	173	-78.2	166.1	167.8	-137.6	-1.3	112.5	E197 L199 D203 L205 N211 Y242	E197-R207 IonicContact OE2-CZ 3.17Å; E197-R207 IonicContact OE2-NH1 3.06Å; E197-R207 PolarHBondContact OE2-NH1 3.4Å; E197-R207 IonicContact OE2-NH2 3.56Å; E197-R207 PolarHBondContact OE2-NH2 3.26Å; L199-R207 VanDerWaalsContact CD2-CZ 3.5Å; D203-R207 WeakPolarHBondContact O-CB 3.47Å; D203-R207 VanDerWaalsContact O-CD 3.29Å; D203-R207 WeakPolarHBondContact O-CD 3.41Å; D203-R207 WeakPolarHBondContact O-CG 3.13Å; D203-R207 PolarHBondContact O-N 3.1Å; L205-R207 VanDerWaalsContact C-N 3.3Å; L205-R207 PolarHBondContact O-N 2.84Å; R207-N211 WeakPolarHBondContact O-CB 3.14Å; R207-N211 PolarHBondContact O-N 2.96Å; R207-Y242 HydrophobicContact CG-CD1 4.41Å; R207-Y242 HydrophobicContact CG-CE1 3.47Å; R207-Y242 VanDerWaalsContact CG-CE1 3.47Å; R207-Y242 PolarHBondContact NE-OH 3.36Å
208	H	97.9	Very high	97.2	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.032	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-46.6	177	-177.8	78.9	0	0	0	111.6	T119 I120 V147 L204 L205 L206 V210 N211 V212	T119-H208 PolarHBondContact O-NE2 3.03Å; I120-H208 VanDerWaalsContact CG1-CD2 3.48Å; I120-H208 WeakPolarHBondContact CG1-CD2 3.5Å; V147-H208 HydrophobicContact CB-CB 3.95Å; V147-H208 HydrophobicContact CG1-CB 3.85Å; L204-H208 PolarHBondContact O-N 3.39Å; L205-H208 WeakPolarHBondContact O-CB 3.04Å; L205-H208 PolarHBondContact O-N 3.34Å; L205-H208 VanDerWaalsContact O-N 3.08Å; L206-H208 VanDerWaalsContact C-N 3.28Å; L206-H208 PolarHBondContact O-N 2.96Å; H208-V210 VanDerWaalsContact C-N 3.3Å; H208-V210 PolarHBondContact O-N 2.86Å; H208-N211 WeakPolarHBondContact O-CB 3.32Å; H208-N211 PolarHBondContact O-N 2.69Å; H208-N211 VanDerWaalsContact O-N 3.1Å; H208-V212 WeakPolarHBondContact O-CG2 3.42Å; H208-V212 PolarHBondContact O-N 2.71Å
209	I	98.1	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.3	-47.1	174.5	-69.1	163	0	0	0	110.7	I120 I176 L205 L206 N211 V212 S213 M226 I231 V248	I120-I209 HydrophobicContact CD1-CD1 4.38Å; I120-I209 HydrophobicContact CD1-CG1 3.81Å; I176-I209 HydrophobicContact CD1-CG2 4.28Å; L205-I209 HydrophobicContact CD2-CD1 4.48Å; L205-I209 HydrophobicContact CG-CD1 4.01Å; L205-I209 PolarHBondContact O-N 2.68Å; L206-I209 HydrophobicContact CD2-CD1 4.24Å; L206-I209 PolarHBondContact O-N 3.47Å; I209-N211 PolarHBondContact O-N 2.85Å; I209-V212 PolarHBondContact O-N 3.4Å; I209-S213 VanDerWaalsContact O-CB 3.24Å; I209-S213 WeakPolarHBondContact O-CB 3.45Å; I209-S213 PolarHBondContact O-N 3.37Å; I209-S213 PolarHBondContact O-OG 3.18Å; I209-M226 HydrophobicContact CD1-CE 3.84Å; I209-M226 HydrophobicContact CD1-SD 4.37Å; I209-M226 HydrophobicContact CG2-SD 3.85Å; I209-I231 HydrophobicContact CD1-CG2 4.39Å; I209-V248 HydrophobicContact CG2-CG1 3.97Å
210	V	98.2	Very high	97.4	Very high	15 Å²	15	43 Å²	43	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-42.4	177	166.7	0	0	0	0	111.5	L206 H208 S213 K214 Y242 L244 L247	L206-V210 WeakPolarHBondContact O-CB 3.45Å; L206-V210 WeakPolarHBondContact O-CG2 3.48Å; L206-V210 PolarHBondContact O-N 3.26Å; H208-V210 VanDerWaalsContact C-N 3.3Å; H208-V210 PolarHBondContact O-N 2.86Å; V210-S213 PolarHBondContact O-N 3.35Å; V210-K214 HydrophobicContact CG1-CD 3.84Å; V210-K214 HydrophobicContact CG1-CG 4.31Å; V210-K214 VanDerWaalsContact O-CB 3.29Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 VanDerWaalsContact O-CG 3.3Å; V210-K214 WeakPolarHBondContact O-CG 3.28Å; V210-K214 PolarHBondContact O-N 3.42Å; V210-Y242 HydrophobicContact CG2-CD1 4.19Å; V210-Y242 HydrophobicContact CG2-CG 4.44Å; V210-Y242 WeakPolarHBondContact CG2-O 3.38Å; V210-L244 HydrophobicContact CG2-CD2 4.31Å; V210-L247 HydrophobicContact CB-CD1 4.25Å; V210-L247 HydrophobicContact CG1-CD1 3.84Å; V210-L247 HydrophobicContact CG2-CD1 3.84Å
211	N	98.5	Very high	97.5	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-53.8	178.8	-174.2	38.5	0	0	0	111.3	V153 R207 H208 I209 S213 K214 H215	V153-N211 WeakPolarHBondContact CG1-ND2 3.07Å; R207-N211 WeakPolarHBondContact O-CB 3.14Å; R207-N211 PolarHBondContact O-N 2.96Å; H208-N211 WeakPolarHBondContact O-CB 3.32Å; H208-N211 PolarHBondContact O-N 2.69Å; H208-N211 VanDerWaalsContact O-N 3.1Å; I209-N211 PolarHBondContact O-N 2.85Å; N211-S213 VanDerWaalsContact C-N 3.34Å; N211-S213 PolarHBondContact O-N 3.16Å; N211-K214 PolarHBondContact O-N 3.15Å; N211-H215 WeakPolarHBondContact O-CB 3.34Å; N211-H215 PolarHBondContact O-N 3.48Å
212	V	98.6	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-45.3	177.5	177.2	0	0	0	0	110.9	T119 V156 L157 V160 I176 H208 I209 K214 H215 V216	T119-V212 HydrophobicContact CG2-CG1 3.95Å; V156-V212 HydrophobicContact CG1-CG2 4.42Å; L157-V212 HydrophobicContact CD2-CB 4.44Å; L157-V212 HydrophobicContact CD2-CG2 4.03Å; V160-V212 HydrophobicContact CG2-CG1 4.44Å; I176-V212 HydrophobicContact CB-CG1 4.18Å; I176-V212 HydrophobicContact CD1-CG1 4.26Å; I176-V212 HydrophobicContact CG2-CG1 3.8Å; H208-V212 WeakPolarHBondContact O-CG2 3.42Å; H208-V212 PolarHBondContact O-N 2.71Å; I209-V212 PolarHBondContact O-N 3.4Å; V212-K214 PolarHBondContact O-N 2.93Å; V212-H215 WeakPolarHBondContact O-CB 3.35Å; V212-H215 PolarHBondContact O-N 3.32Å; V212-V216 WeakPolarHBondContact O-CG2 3.36Å; V212-V216 PolarHBondContact O-N 3.45Å
213	S	98.6	Very high	97.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-42.7	-178.3	-56.5	0	0	0	0	112.3	I209 V210 N211 V216 K217 V248	I209-S213 VanDerWaalsContact O-CB 3.24Å; I209-S213 WeakPolarHBondContact O-CB 3.45Å; I209-S213 PolarHBondContact O-N 3.37Å; I209-S213 PolarHBondContact O-OG 3.18Å; V210-S213 PolarHBondContact O-N 3.35Å; N211-S213 VanDerWaalsContact C-N 3.34Å; N211-S213 PolarHBondContact O-N 3.16Å; S213-V216 PolarHBondContact O-N 3.48Å; S213-K217 WeakPolarHBondContact O-CB 3.19Å; S213-K217 WeakPolarHBondContact O-CG 3.49Å; S213-K217 PolarHBondContact O-N 2.9Å; S213-V248 VanDerWaalsContact OG-CG1 3.28Å; S213-V248 WeakPolarHBondContact OG-CG1 3.49Å
214	K	98.5	Very high	97.9	Very high	115 Å²	115	36.6 Å²	36.6	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-39.4	175.3	-77.5	-179.4	176.1	177.5	0	111.6	V210 N211 V212 K217 S218 L247	V210-K214 HydrophobicContact CG1-CD 3.84Å; V210-K214 HydrophobicContact CG1-CG 4.31Å; V210-K214 VanDerWaalsContact O-CB 3.29Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 VanDerWaalsContact O-CG 3.3Å; V210-K214 WeakPolarHBondContact O-CG 3.28Å; V210-K214 PolarHBondContact O-N 3.42Å; N211-K214 PolarHBondContact O-N 3.15Å; V212-K214 PolarHBondContact O-N 2.93Å; K214-K217 PolarHBondContact O-N 3.01Å; K214-S218 VanDerWaalsContact O-CB 3.23Å; K214-S218 WeakPolarHBondContact O-CB 3.33Å; K214-S218 PolarHBondContact O-N 3.2Å; K214-S218 PolarHBondContact O-OG 3.12Å; K214-L247 HydrophobicContact CG-CD1 4.41Å; K214-L247 HydrophobicContact CG-CD2 3.74Å
215	H	98.6	Very high	97.9	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.181	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-49.2	175.3	-174.5	83.9	0	0	0	111.2	L157 D161 N211 V212 S218 K219	L157-H215 HydrophobicContact CD2-CB 3.88Å; D161-H215 IonicContact OD1-CD2 2.72Å; D161-H215 IonicContact OD1-CE1 3.69Å; D161-H215 IonicContact OD1-NE2 2.59Å; D161-H215 PolarHBondContact OD1-NE2 2.88Å; D161-H215 IonicContact OD2-CE1 3.79Å; D161-H215 IonicContact OD2-NE2 3.75Å; N211-H215 WeakPolarHBondContact O-CB 3.34Å; N211-H215 PolarHBondContact O-N 3.48Å; V212-H215 WeakPolarHBondContact O-CB 3.35Å; V212-H215 PolarHBondContact O-N 3.32Å; H215-S218 PolarHBondContact O-OG 3.34Å; H215-K219 WeakPolarHBondContact O-CB 3.39Å; H215-K219 PolarHBondContact O-N 2.99Å; H215-K219 VanDerWaalsContact O-N 3.09Å
216	V	98.6	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-50.5	177	172.6	0	0	0	0	111.7	V160 V174 V212 S213 Y220 G221 K222 V224	V160-V216 HydrophobicContact CG1-CG2 3.66Å; V174-V216 HydrophobicContact CB-CG1 4.07Å; V174-V216 HydrophobicContact CG2-CG1 3.98Å; V212-V216 WeakPolarHBondContact O-CG2 3.36Å; V212-V216 PolarHBondContact O-N 3.45Å; S213-V216 PolarHBondContact O-N 3.48Å; V216-Y220 WeakPolarHBondContact O-CA 3.39Å; V216-Y220 WeakPolarHBondContact O-CB 3.4Å; V216-Y220 PolarHBondContact O-N 2.8Å; V216-G221 PolarHBondContact O-N 3.28Å; V216-K222 HydrophobicContact CG1-CB 4.03Å; V216-V224 HydrophobicContact CB-CG2 3.91Å; V216-V224 HydrophobicContact CG1-CG2 3.81Å
217	K	97.9	Very high	97.9	Very high	58 Å²	58	36.5 Å²	36.5	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-48.6	-177.6	-79.3	-175.8	174.5	-126.6	0	112.5	S213 K214 G221 K222 V224 N246 L247	S213-K217 WeakPolarHBondContact O-CB 3.19Å; S213-K217 WeakPolarHBondContact O-CG 3.49Å; S213-K217 PolarHBondContact O-N 2.9Å; K214-K217 PolarHBondContact O-N 3.01Å; K217-G221 VanDerWaalsContact O-CA 3.22Å; K217-G221 WeakPolarHBondContact O-CA 3.49Å; K217-G221 PolarHBondContact O-N 3.18Å; K217-K222 VanDerWaalsContact CG-O 3.23Å; K217-K222 WeakPolarHBondContact CG-O 3.34Å; K217-V224 HydrophobicContact CG-CG2 4.19Å; K217-N246 WeakPolarHBondContact CE-O 3.2Å; K217-N246 PolarHBondContact NZ-O 2.99Å; K217-L247 HydrophobicContact CD-CD2 4.29Å; K217-L247 WeakPolarHBondContact CE-O 3.36Å
218	S	98	Very high	97.7	Very high	102 Å²	102	33.5 Å²	33.5	71%	0.713	18%	0.182	S	C	*	.	H	α-helix	trans	-68.9	-38	-176.1	60.9	0	0	0	0	112.9	K214 H215	K214-S218 VanDerWaalsContact O-CB 3.23Å; K214-S218 WeakPolarHBondContact O-CB 3.33Å; K214-S218 PolarHBondContact O-N 3.2Å; K214-S218 PolarHBondContact O-OG 3.12Å; H215-S218 PolarHBondContact O-OG 3.34Å
219	K	98.2	Very high	97.4	Very high	107 Å²	107	34.9 Å²	34.9	47%	0.465	19%	0.19	S	C	.	.	H	α-helix	trans	-87.9	-33.6	-175.1	-169.4	171.5	177.8	-179.3	0	113.7	D161 H215	D161-K219 IonicContact OD1-NZ 3.77Å; D161-K219 PolarHBondContact OD1-NZ 3.24Å; D161-K219 IonicContact OD2-NZ 2.87Å; D161-K219 PolarHBondContact OD2-NZ 3.34Å; H215-K219 WeakPolarHBondContact O-CB 3.39Å; H215-K219 PolarHBondContact O-N 2.99Å; H215-K219 VanDerWaalsContact O-N 3.09Å
220	Y	98.1	Very high	97.1	Very high	45 Å²	45	36.2 Å²	36.2	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-121.8	-8.8	-172.1	-57.6	-73	0	0	0	114.4	D161 M164 K168 V216 K222	D161-Y220 WeakPolarHBondContact CA-OH 3.5Å; D161-Y220 PolarHBondContact OD1-OH 3.24Å; M164-Y220 HydrophobicContact CB-CD1 4.01Å; M164-Y220 HydrophobicContact CB-CD2 3.97Å; M164-Y220 HydrophobicContact CB-CE1 3.64Å; M164-Y220 HydrophobicContact CB-CE2 3.61Å; M164-Y220 HydrophobicContact CB-CG 4.16Å; M164-Y220 VanDerWaalsContact CB-CZ 3.43Å; M164-Y220 HydrophobicContact CE-CD1 4.21Å; M164-Y220 HydrophobicContact CE-CD2 4.38Å; M164-Y220 HydrophobicContact CE-CG 3.92Å; M164-Y220 HydrophobicContact CG-CD2 3.95Å; M164-Y220 HydrophobicContact CG-CE2 3.91Å; M164-Y220 HydrophobicContact CG-CG 4.33Å; K168-Y220 HydrophobicContact CB-CD1 4.1Å; V216-Y220 WeakPolarHBondContact O-CA 3.39Å; V216-Y220 WeakPolarHBondContact O-CB 3.4Å; V216-Y220 PolarHBondContact O-N 2.8Å; Y220-K222 PolarHBondContact O-N 3.41Å
221	G	97.8	Very high	96.9	Very high	58 Å²	58	35.6 Å²	35.6	60%	0.598	19%	0.192	S	C	*	.			trans	66.1	18.7	178.9	0	0	0	0	0	114.6	V216 K217	V216-G221 PolarHBondContact O-N 3.28Å; K217-G221 VanDerWaalsContact O-CA 3.22Å; K217-G221 WeakPolarHBondContact O-CA 3.49Å; K217-G221 PolarHBondContact O-N 3.18Å
222	K	97.9	Very high	96.5	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.057	18%	0.179	C	C	.	.			trans	-94.2	146.9	-177.3	-57	-71.4	173.8	163.7	0	111.5	M164 K168 Y170 G171 V174 V216 K217 Y220	M164-K222 HydrophobicContact CE-CG 3.83Å; K168-K222 WeakPolarHBondContact O-CE 3.27Å; K168-K222 PolarHBondContact O-NZ 2.96Å; Y170-K222 PolarHBondContact O-NZ 3.23Å; G171-K222 PolarHBondContact O-NZ 3.42Å; V174-K222 HydrophobicContact CG2-CB 3.75Å; V174-K222 HydrophobicContact CG2-CG 3.93Å; V216-K222 HydrophobicContact CG1-CB 4.03Å; K217-K222 VanDerWaalsContact CG-O 3.23Å; K217-K222 WeakPolarHBondContact CG-O 3.34Å; Y220-K222 PolarHBondContact O-N 3.41Å
223	N	97.5	Very high	95.9	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	149.4	167.9	-68.8	-39	0	0	0	110.4	Q172 F173 V174	Q172-N223 PolarHBondContact O-N 2.91Å; F173-N223 CarbonylContact C-O 3.38Å; F173-N223 VanDerWaalsContact CA-O 3.3Å; F173-N223 WeakPolarHBondContact CA-O 3.21Å; F173-N223 HydrophobicContact CD1-CB 3.45Å; F173-N223 VanDerWaalsContact CD1-CB 3.45Å; F173-N223 HydrophobicContact CE1-CB 3.52Å; F173-N223 HydrophobicContact CG-CB 4.38Å; F173-N223 HydrophobicContact CZ-CB 4.5Å; V174-N223 PolarHBondContact N-O 3.23Å
224	V	98.3	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.2	-172.5	178.5	0	0	0	0	109	V174 I176 V216 K217 L247 V248 E249	V174-V224 CarbonylContact O-C 3.56Å; V174-V224 WeakPolarHBondContact O-CA 3.25Å; I176-V224 HydrophobicContact CB-CG1 4.34Å; I176-V224 HydrophobicContact CD1-CG1 3.76Å; I176-V224 HydrophobicContact CG1-CG1 3.72Å; I176-V224 HydrophobicContact CG2-CG1 3.72Å; V216-V224 HydrophobicContact CB-CG2 3.91Å; V216-V224 HydrophobicContact CG1-CG2 3.81Å; K217-V224 HydrophobicContact CG-CG2 4.19Å; V224-L247 WeakPolarHBondContact CB-O 3.49Å; V224-V248 HydrophobicContact CG1-CG1 4.19Å; V224-V248 CarbonylContact O-C 3.44Å; V224-V248 WeakPolarHBondContact O-CA 3.38Å; V224-E249 PolarHBondContact O-N 3.23Å
225	L	97.7	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	147.6	169.3	-52.2	-174.9	0	0	0	109	I114 F173 V174 H175 I176 E249 V251 W279 Y310	I114-L225 HydrophobicContact CD1-CD1 4.3Å; I114-L225 HydrophobicContact CG2-CD1 4.23Å; F173-L225 HydrophobicContact CB-CD1 4.16Å; F173-L225 HydrophobicContact CB-CG 4.17Å; F173-L225 HydrophobicContact CD1-CD1 4.41Å; F173-L225 HydrophobicContact CD1-CD2 3.65Å; F173-L225 HydrophobicContact CD1-CG 4.01Å; F173-L225 HydrophobicContact CE1-CD2 4.21Å; F173-L225 HydrophobicContact CG-CD1 4.45Å; F173-L225 HydrophobicContact CG-CD2 4.46Å; F173-L225 HydrophobicContact CG-CG 4.42Å; V174-L225 PolarHBondContact O-N 3.46Å; H175-L225 CarbonylContact C-O 2.95Å; H175-L225 WeakPolarHBondContact CA-O 3.37Å; H175-L225 HydrophobicContact CB-CB 4.07Å; H175-L225 VanDerWaalsContact CD2-CB 3.4Å; H175-L225 WeakPolarHBondContact CD2-CB 3.35Å; I176-L225 WeakPolarHBondContact CG1-O 3.19Å; I176-L225 PolarHBondContact N-O 3.33Å; L225-E249 WeakPolarHBondContact CA-O 2.95Å; L225-E249 HydrophobicContact CD2-CB 3.76Å; L225-V251 HydrophobicContact CB-CG2 3.87Å; L225-V251 HydrophobicContact CD1-CG2 4.44Å; L225-W279 HydrophobicContact CD2-CD2 4.36Å; L225-W279 HydrophobicContact CD2-CG 4.4Å; L225-W279 HydrophobicContact CD2-CZ2 4.11Å; L225-Y310 HydrophobicContact CD1-CD1 4.16Å; L225-Y310 HydrophobicContact CD1-CE1 3.97Å
226	M	96.8	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.4	169.7	65.8	172.3	-74.9	0	0	109.7	I176 A178 I209 I231 V248 E249 P250 V251	I176-M226 HydrophobicContact CD1-CB 4.35Å; I176-M226 HydrophobicContact CG1-CB 3.88Å; A178-M226 HydrophobicContact CB-CE 4.16Å; I209-M226 HydrophobicContact CD1-CE 3.84Å; I209-M226 HydrophobicContact CD1-SD 4.37Å; I209-M226 HydrophobicContact CG2-SD 3.85Å; M226-I231 HydrophobicContact CE-CD1 4.15Å; M226-I231 HydrophobicContact CE-CG1 4.12Å; M226-I231 HydrophobicContact CE-CG2 3.92Å; M226-I231 HydrophobicContact SD-CD1 4.01Å; M226-V248 HydrophobicContact CG-CB 4.24Å; M226-V248 HydrophobicContact SD-CB 4.14Å; M226-V248 HydrophobicContact SD-CG1 4.09Å; M226-V248 HydrophobicContact SD-CG2 4.09Å; M226-E249 PolarHBondContact N-O 3.01Å; M226-P250 CarbonylContact O-C 3.49Å; M226-P250 WeakPolarHBondContact O-CA 3.45Å; M226-V251 WeakPolarHBondContact O-CB 3.17Å; M226-V251 WeakPolarHBondContact O-CG2 3.41Å; M226-V251 PolarHBondContact O-N 2.9Å
227	W	95.1	Very high	94.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.5	171.1	-61.1	122.5	0	0	0	110.6	L116 H175 G177 D179 D229 V251 W253 Y310	L116-W227 HydrophobicContact CD1-CZ2 3.83Å; H175-W227 AromaticContact CE1-CD1 3.5Å; H175-W227 AromaticContact CE1-CD2 3.49Å; H175-W227 VanDerWaalsContact CE1-CD2 3.49Å; H175-W227 AromaticContact CE1-CE2 3.49Å; H175-W227 VanDerWaalsContact CE1-CE2 3.49Å; H175-W227 AromaticContact CE1-CG 3.56Å; H175-W227 PolarHBondContact CE1-N 3.44Å; H175-W227 AromaticContact CE1-NE1 3.52Å; H175-W227 AromaticContact NE2-CD2 3.63Å; H175-W227 AromaticContact NE2-CE2 3.84Å; H175-W227 AromaticContact NE2-CE3 3.82Å; G177-W227 PolarHBondContact O-N 3.17Å; D179-W227 HydrophobicContact CB-CB 3.68Å; D179-W227 HydrophobicContact CB-CG 3.7Å; D179-W227 PolarHBondContact OD2-NE1 3.09Å; W227-D229 WeakPolarHBondContact CB-OD1 3.5Å; W227-V251 HydrophobicContact CE3-CB 3.79Å; W227-V251 HydrophobicContact CE3-CG1 3.73Å; W227-V251 HydrophobicContact CZ3-CB 4.07Å; W227-V251 HydrophobicContact CZ3-CG1 3.49Å; W227-V251 VanDerWaalsContact CZ3-CG1 3.49Å; W227-W253 AromaticContact CD2-CD1 3.93Å; W227-W253 HydrophobicContact CE3-CB 3.83Å; W227-W253 AromaticContact CE3-CD1 3.63Å; W227-W253 HydrophobicContact CE3-CG 4.01Å; W227-W253 HydrophobicContact CZ3-CB 3.77Å; W227-W253 HydrophobicContact CZ3-CG 4.36Å; W227-Y310 WeakPolarHBondContact CH2-OH 3.32Å
228	H	92.1	Very high	94.3	Very high	13 Å²	13	39.1 Å²	39.1	6%	0.06	24%	0.235	C	C	.	.	S	Bend	trans	-75.7	-26	-168.3	77.6	-66.2	0	0	0	115	M230 I231 A232 P250 V251 L252 W253 F271	H228-M230 PolarHBondContact O-N 2.84Å; H228-I231 CarbonylContact O-C 3.52Å; H228-I231 WeakPolarHBondContact O-CG1 3.42Å; H228-I231 PolarHBondContact O-N 3.23Å; H228-A232 PolarHBondContact O-N 3.37Å; H228-P250 HydrophobicContact CB-CB 4.21Å; H228-V251 WeakPolarHBondContact CB-O 3.36Å; H228-V251 PolarHBondContact N-O 3.18Å; H228-V251 PolarHBondContact ND1-O 3.04Å; H228-L252 HydrophobicContact CB-CB 4.44Å; H228-L252 WeakPolarHBondContact ND1-CA 3.35Å; H228-W253 AromaticContact CE1-CD1 3.89Å; H228-W253 PolarHBondContact CE1-O 2.73Å; H228-W253 AromaticContact ND1-CD1 3.56Å; H228-W253 PolarHBondContact ND1-N 3.35Å; H228-F271 HydrophobicContact CB-CE1 4.37Å; H228-F271 HydrophobicContact CB-CE2 4.09Å; H228-F271 HydrophobicContact CB-CZ 3.64Å; H228-F271 AromaticContact CD2-CE2 3.91Å
229	D	91.6	Very high	94.1	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.6	-40.1	-158.8	51.6	-54.2	0	0	0	112.3	D179 E180 W227 I231 A232 W253	D179-D229 WeakPolarHBondContact CA-OD1 3.46Å; D179-D229 WeakPolarHBondContact CA-OD2 3.22Å; E180-D229 PolarHBondContact N-OD2 3.45Å; W227-D229 WeakPolarHBondContact CB-OD1 3.5Å; D229-I231 PolarHBondContact O-N 3Å; D229-I231 VanDerWaalsContact O-N 3.16Å; D229-A232 PolarHBondContact O-N 3.34Å; D229-W253 PolarHBondContact OD1-NE1 2.53Å
230	M	92.9	Very high	94	Very high	29 Å²	29	35.6 Å²	35.6	14%	0.143	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68	-14.3	178.6	-69.1	-49.3	-56.6	0	0	114.6	A178 V181 Y184 L205 H228	A178-M230 WeakPolarHBondContact O-CB 3.49Å; A178-M230 WeakPolarHBondContact O-CG 3.26Å; V181-M230 HydrophobicContact CB-CE 3.85Å; V181-M230 HydrophobicContact CB-CG 4.39Å; V181-M230 HydrophobicContact CB-SD 3.81Å; V181-M230 HydrophobicContact CG2-CG 4.22Å; V181-M230 HydrophobicContact CG2-SD 4.25Å; V181-M230 PolarHBondContact N-SD 2.79Å; V181-M230 VanDerWaalsContact N-SD 3.45Å; V181-M230 WeakPolarHBondContact O-CE 3.45Å; Y184-M230 HydrophobicContact CD1-CE 4.11Å; Y184-M230 HydrophobicContact CE1-CE 3.61Å; L205-M230 HydrophobicContact CD1-CE 4.45Å; L205-M230 HydrophobicContact CD2-CB 4.01Å; L205-M230 HydrophobicContact CD2-CE 3.38Å; H228-M230 PolarHBondContact O-N 2.84Å
231	I	93.3	Very high	94	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-120.2	6.5	177.3	60.1	167.9	0	0	0	112.6	L206 I209 M226 H228 D229 N233 I234 L244 P250 F271	L206-I231 HydrophobicContact CD2-CG2 3.77Å; I209-I231 HydrophobicContact CD1-CG2 4.39Å; M226-I231 HydrophobicContact CE-CD1 4.15Å; M226-I231 HydrophobicContact CE-CG1 4.12Å; M226-I231 HydrophobicContact CE-CG2 3.92Å; M226-I231 HydrophobicContact SD-CD1 4.01Å; H228-I231 CarbonylContact O-C 3.52Å; H228-I231 WeakPolarHBondContact O-CG1 3.42Å; H228-I231 PolarHBondContact O-N 3.23Å; D229-I231 PolarHBondContact O-N 3Å; D229-I231 VanDerWaalsContact O-N 3.16Å; I231-N233 PolarHBondContact O-N 3.42Å; I231-I234 HydrophobicContact CB-CD1 3.9Å; I231-I234 HydrophobicContact CB-CG1 4.37Å; I231-I234 HydrophobicContact CG2-CD1 4.09Å; I231-I234 WeakPolarHBondContact O-CG1 3.36Å; I231-L244 HydrophobicContact CG2-CD1 4.48Å; I231-P250 HydrophobicContact CD1-CB 4.01Å; I231-P250 HydrophobicContact CD1-CG 3.6Å; I231-F271 HydrophobicContact CD1-CE1 3.87Å; I231-F271 HydrophobicContact CG1-CE1 3.86Å; I231-F271 HydrophobicContact CG1-CZ 4.27Å
232	A	90.2	Very high	93.9	Very high	11 Å²	11	38 Å²	38	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.5	-178.2	0	0	0	0	0	112.9	H228 D229 I267 F271	H228-A232 PolarHBondContact O-N 3.37Å; D229-A232 PolarHBondContact O-N 3.34Å; A232-I267 HydrophobicContact CB-CD1 4.45Å; A232-F271 HydrophobicContact CB-CE2 4.35Å; A232-F271 HydrophobicContact CB-CZ 4.15Å
233	N	86.8	Confident	93.9	Very high	141 Å²	141	40.1 Å²	40.1	75%	0.754	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	8	-174.6	-64.7	-41.3	0	0	0	114.1	I231	I231-N233 PolarHBondContact O-N 3.42Å
234	I	90.8	Very high	93.9	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.062	20%	0.201	C	C	.	.	S	Bend	trans	-80.8	151.5	176.6	72.9	-179.1	0	0	0	110.6	E202 L206 I231 L238 A239 L244 M274	E202-I234 HydrophobicContact CG-CG2 4.47Å; L206-I234 HydrophobicContact CD1-CD1 4.03Å; L206-I234 HydrophobicContact CD2-CD1 4.12Å; I231-I234 HydrophobicContact CB-CD1 3.9Å; I231-I234 HydrophobicContact CB-CG1 4.37Å; I231-I234 HydrophobicContact CG2-CD1 4.09Å; I231-I234 WeakPolarHBondContact O-CG1 3.36Å; I234-L238 HydrophobicContact CB-CD2 4.17Å; I234-L238 HydrophobicContact CG2-CD2 4.27Å; I234-A239 HydrophobicContact CD1-CB 4.05Å; I234-L244 HydrophobicContact CD1-CD1 3.59Å; I234-M274 HydrophobicContact CD1-SD 4.06Å; I234-M274 HydrophobicContact CG1-SD 3.6Å; I234-M274 VanDerWaalsContact CG1-SD 3.6Å
235	D	88.6	Confident	93.7	Very high	60 Å²	60	42 Å²	42	32%	0.321	22%	0.221	S	C	.	.			trans	-76.6	148.6	174.7	67.1	-90.4	0	0	0	111.5	R200 S237 L238 A239	R200-D235 IonicContact CZ-OD1 3.85Å; R200-D235 IonicContact NH1-OD1 3.94Å; R200-D235 IonicContact NH2-OD1 3.57Å; R200-D235 PolarHBondContact NH2-OD1 2.9Å; R200-D235 VanDerWaalsContact NH2-OD1 3.17Å; D235-S237 PolarHBondContact O-N 3.13Å; D235-S237 WeakPolarHBondContact OD2-CB 3.46Å; D235-S237 PolarHBondContact OD2-N 3.17Å; D235-S237 PolarHBondContact OD2-OG 3.37Å; D235-L238 WeakPolarHBondContact O-CB 3.43Å; D235-L238 PolarHBondContact O-N 2.87Å; D235-L238 WeakPolarHBondContact OD1-CB 3.44Å; D235-L238 PolarHBondContact OD2-N 3.24Å; D235-A239 PolarHBondContact O-N 2.84Å; D235-A239 VanDerWaalsContact O-N 3.12Å
236	A	90	Very high	93.6	Very high	46 Å²	46	46.3 Å²	46.3	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-29.4	-177.9	0	0	0	0	0	113.1	L238 A239 E240 A273 M274	A236-L238 VanDerWaalsContact C-N 3.34Å; A236-A239 PolarHBondContact O-N 2.98Å; A236-E240 WeakPolarHBondContact O-CB 3.48Å; A236-E240 PolarHBondContact O-N 3.21Å; A236-A273 HydrophobicContact CB-CB 4.27Å; A236-M274 HydrophobicContact CB-CG 4.31Å
237	S	93.2	Very high	93.6	Very high	81 Å²	81	47 Å²	47	57%	0.566	25%	0.247	S	C	*	.	H	α-helix	trans	-69	-34.3	177.4	84	0	0	0	0	112	D235 E240 K241	D235-S237 PolarHBondContact O-N 3.13Å; D235-S237 WeakPolarHBondContact OD2-CB 3.46Å; D235-S237 PolarHBondContact OD2-N 3.17Å; D235-S237 PolarHBondContact OD2-OG 3.37Å; S237-E240 PolarHBondContact O-N 2.8Å; S237-K241 WeakPolarHBondContact O-CB 3.5Å; S237-K241 PolarHBondContact O-N 3.1Å
238	L	94.7	Very high	93.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-42.1	172.6	-167.6	62.6	0	0	0	111.6	R200 E202 L206 I234 D235 A236 E240 K241 Y242	R200-L238 VanDerWaalsContact NH2-CD2 3.28Å; E202-L238 HydrophobicContact CB-CD2 3.74Å; L206-L238 HydrophobicContact CD1-CD1 4.36Å; L206-L238 HydrophobicContact CD1-CD2 3.47Å; L206-L238 VanDerWaalsContact CD1-CD2 3.47Å; L206-L238 HydrophobicContact CD1-CG 3.51Å; I234-L238 HydrophobicContact CB-CD2 4.17Å; I234-L238 HydrophobicContact CG2-CD2 4.27Å; D235-L238 WeakPolarHBondContact O-CB 3.43Å; D235-L238 PolarHBondContact O-N 2.87Å; D235-L238 WeakPolarHBondContact OD1-CB 3.44Å; D235-L238 PolarHBondContact OD2-N 3.24Å; A236-L238 VanDerWaalsContact C-N 3.34Å; L238-E240 VanDerWaalsContact C-N 3.3Å; L238-E240 PolarHBondContact O-N 3.23Å; L238-K241 HydrophobicContact CD1-CD 4.05Å; L238-K241 WeakPolarHBondContact O-CB 3.15Å; L238-K241 PolarHBondContact O-N 3.36Å; L238-Y242 HydrophobicContact CD1-CD2 3.91Å; L238-Y242 HydrophobicContact CD1-CE2 3.59Å; L238-Y242 HydrophobicContact CG-CD2 4.17Å; L238-Y242 HydrophobicContact CG-CE2 4.27Å; L238-Y242 WeakPolarHBondContact O-CD2 3.21Å; L238-Y242 PolarHBondContact O-N 3.08Å; L238-Y242 VanDerWaalsContact O-N 3.16Å
239	A	95.3	Very high	93.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-40.8	174.2	0	0	0	0	0	111.8	I234 D235 A236 Y242 D243 L244 M274	I234-A239 HydrophobicContact CD1-CB 4.05Å; D235-A239 PolarHBondContact O-N 2.84Å; D235-A239 VanDerWaalsContact O-N 3.12Å; A236-A239 PolarHBondContact O-N 2.98Å; A239-Y242 PolarHBondContact O-N 3.01Å; A239-D243 PolarHBondContact O-N 3.39Å; A239-D243 VanDerWaalsContact O-N 3.11Å; A239-L244 HydrophobicContact CB-CB 4.38Å; A239-L244 HydrophobicContact CB-CD1 3.89Å; A239-L244 HydrophobicContact CB-CG 4.28Å; A239-L244 PolarHBondContact O-N 2.65Å; A239-M274 HydrophobicContact CB-CB 3.86Å; A239-M274 HydrophobicContact CB-CG 3.57Å; A239-M274 HydrophobicContact CB-SD 3.72Å
240	E	95.8	Very high	93.9	Very high	135 Å²	135	45.8 Å²	45.8	63%	0.631	24%	0.241	S	C	*	.	H	α-helix	trans	-66.2	-45.8	174.5	-177.9	170.7	-149.1	0	0	112	A236 S237 L238 Y242 D243	A236-E240 WeakPolarHBondContact O-CB 3.48Å; A236-E240 PolarHBondContact O-N 3.21Å; S237-E240 PolarHBondContact O-N 2.8Å; L238-E240 VanDerWaalsContact C-N 3.3Å; L238-E240 PolarHBondContact O-N 3.23Å; E240-Y242 PolarHBondContact O-N 3.36Å; E240-Y242 VanDerWaalsContact O-N 3.15Å; E240-D243 PolarHBondContact O-N 3.34Å
241	K	96.8	Very high	93.8	Very high	129 Å²	129	44.4 Å²	44.4	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-52.9	-36.5	176.5	176	-175.5	174.1	-172	0	112.4	D203 S237 L238	D203-K241 IonicContact OD1-NZ 2.69Å; D203-K241 PolarHBondContact OD1-NZ 3.41Å; S237-K241 WeakPolarHBondContact O-CB 3.5Å; S237-K241 PolarHBondContact O-N 3.1Å; L238-K241 HydrophobicContact CD1-CD 4.05Å; L238-K241 WeakPolarHBondContact O-CB 3.15Å; L238-K241 PolarHBondContact O-N 3.36Å
242	Y	97.3	Very high	93.6	Very high	24 Å²	24	44.3 Å²	44.3	9%	0.094	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	7.5	-179.9	-73.2	-68.7	0	0	0	114.1	D203 L206 R207 V210 L238 A239 E240 L244 L247	D203-Y242 HydrophobicContact CB-CE2 4.35Å; D203-Y242 WeakPolarHBondContact CB-OH 3.29Å; D203-Y242 WeakPolarHBondContact OD1-CE2 3.26Å; D203-Y242 PolarHBondContact OD1-OH 3.21Å; L206-Y242 HydrophobicContact CB-CD1 4.39Å; L206-Y242 HydrophobicContact CB-CD2 3.71Å; L206-Y242 HydrophobicContact CB-CE2 4.02Å; L206-Y242 HydrophobicContact CB-CG 3.91Å; L206-Y242 HydrophobicContact CD1-CD2 3.6Å; L206-Y242 HydrophobicContact CD1-CE2 4.09Å; L206-Y242 HydrophobicContact CD1-CG 4.39Å; L206-Y242 HydrophobicContact CG-CD2 4.31Å; R207-Y242 HydrophobicContact CG-CD1 4.41Å; R207-Y242 HydrophobicContact CG-CE1 3.47Å; R207-Y242 VanDerWaalsContact CG-CE1 3.47Å; R207-Y242 PolarHBondContact NE-OH 3.36Å; V210-Y242 HydrophobicContact CG2-CD1 4.19Å; V210-Y242 HydrophobicContact CG2-CG 4.44Å; V210-Y242 WeakPolarHBondContact CG2-O 3.38Å; L238-Y242 HydrophobicContact CD1-CD2 3.91Å; L238-Y242 HydrophobicContact CD1-CE2 3.59Å; L238-Y242 HydrophobicContact CG-CD2 4.17Å; L238-Y242 HydrophobicContact CG-CE2 4.27Å; L238-Y242 WeakPolarHBondContact O-CD2 3.21Å; L238-Y242 PolarHBondContact O-N 3.08Å; L238-Y242 VanDerWaalsContact O-N 3.16Å; A239-Y242 PolarHBondContact O-N 3.01Å; E240-Y242 PolarHBondContact O-N 3.36Å; E240-Y242 VanDerWaalsContact O-N 3.15Å; Y242-L244 VanDerWaalsContact C-N 3.27Å; Y242-L244 PolarHBondContact O-N 2.72Å; Y242-L247 WeakPolarHBondContact O-CD1 3.29Å
243	D	97	Very high	93.3	Very high	58 Å²	58	46 Å²	46	31%	0.31	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	38.9	177.7	-163.9	34	0	0	0	114.2	A239 E240 K245 N246 L247	A239-D243 PolarHBondContact O-N 3.39Å; A239-D243 VanDerWaalsContact O-N 3.11Å; E240-D243 PolarHBondContact O-N 3.34Å; D243-K245 PolarHBondContact O-N 3.41Å; D243-K245 VanDerWaalsContact OD1-CE 3.32Å; D243-K245 WeakPolarHBondContact OD1-CE 3.38Å; D243-K245 WeakPolarHBondContact OD1-CG 3.12Å; D243-N246 VanDerWaalsContact CG-ND2 3.34Å; D243-N246 PolarHBondContact O-N 2.9Å; D243-N246 VanDerWaalsContact O-N 3.13Å; D243-N246 PolarHBondContact OD1-ND2 3.48Å; D243-N246 WeakPolarHBondContact OD2-CB 3.45Å; D243-N246 PolarHBondContact OD2-ND2 2.98Å; D243-N246 VanDerWaalsContact OD2-ND2 3.16Å; D243-L247 HydrophobicContact CB-CD1 4.42Å; D243-L247 WeakPolarHBondContact O-CG 3.38Å; D243-L247 PolarHBondContact O-N 2.86Å
244	L	96.4	Very high	92.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-34.1	-176.6	-63.2	-170.1	0	0	0	112.3	L206 V210 I231 I234 A239 Y242 N246 L247 V248 V275	L206-L244 HydrophobicContact CD2-CD1 3.87Å; L206-L244 HydrophobicContact CD2-CD2 4.21Å; V210-L244 HydrophobicContact CG2-CD2 4.31Å; I231-L244 HydrophobicContact CG2-CD1 4.48Å; I234-L244 HydrophobicContact CD1-CD1 3.59Å; A239-L244 HydrophobicContact CB-CB 4.38Å; A239-L244 HydrophobicContact CB-CD1 3.89Å; A239-L244 HydrophobicContact CB-CG 4.28Å; A239-L244 PolarHBondContact O-N 2.65Å; Y242-L244 VanDerWaalsContact C-N 3.27Å; Y242-L244 PolarHBondContact O-N 2.72Å; L244-N246 PolarHBondContact O-N 2.76Å; L244-N246 VanDerWaalsContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.05Å; L244-V248 HydrophobicContact CB-CG2 4.05Å; L244-V248 HydrophobicContact CD2-CG2 4.22Å; L244-V248 PolarHBondContact O-N 3.32Å; L244-V275 HydrophobicContact CB-CG1 4.48Å
245	K	94.5	Very high	91.9	Very high	95 Å²	95	45 Å²	45	41%	0.413	23%	0.226	S	C	.	.	H	α-helix	trans	-51.8	-31.8	177.3	70.9	-175.4	179.4	-168.6	0	114.4	D243 M274 P276	D243-K245 PolarHBondContact O-N 3.41Å; D243-K245 VanDerWaalsContact OD1-CE 3.32Å; D243-K245 WeakPolarHBondContact OD1-CE 3.38Å; D243-K245 WeakPolarHBondContact OD1-CG 3.12Å; K245-M274 WeakPolarHBondContact CB-O 3.46Å; K245-P276 WeakPolarHBondContact O-CD 3.21Å; K245-P276 WeakPolarHBondContact O-CG 3.33Å
246	N	95.5	Very high	90.9	Very high	91 Å²	91	43.4 Å²	43.4	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-103.5	-14.8	-178	-69.3	-43.9	0	0	0	112.8	K217 D243 L244	K217-N246 WeakPolarHBondContact CE-O 3.2Å; K217-N246 PolarHBondContact NZ-O 2.99Å; D243-N246 VanDerWaalsContact CG-ND2 3.34Å; D243-N246 PolarHBondContact O-N 2.9Å; D243-N246 VanDerWaalsContact O-N 3.13Å; D243-N246 PolarHBondContact OD1-ND2 3.48Å; D243-N246 WeakPolarHBondContact OD2-CB 3.45Å; D243-N246 PolarHBondContact OD2-ND2 2.98Å; D243-N246 VanDerWaalsContact OD2-ND2 3.16Å; L244-N246 PolarHBondContact O-N 2.76Å; L244-N246 VanDerWaalsContact O-N 3.08Å
247	L	97.3	Very high	89.8	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-103.7	-35.1	-169.8	-69.4	176.6	0	0	0	113.5	V210 K214 K217 V224 Y242 D243 L244	V210-L247 HydrophobicContact CB-CD1 4.25Å; V210-L247 HydrophobicContact CG1-CD1 3.84Å; V210-L247 HydrophobicContact CG2-CD1 3.84Å; K214-L247 HydrophobicContact CG-CD1 4.41Å; K214-L247 HydrophobicContact CG-CD2 3.74Å; K217-L247 HydrophobicContact CD-CD2 4.29Å; K217-L247 WeakPolarHBondContact CE-O 3.36Å; V224-L247 WeakPolarHBondContact CB-O 3.49Å; Y242-L247 WeakPolarHBondContact O-CD1 3.29Å; D243-L247 HydrophobicContact CB-CD1 4.42Å; D243-L247 WeakPolarHBondContact O-CG 3.38Å; D243-L247 PolarHBondContact O-N 2.86Å; L244-L247 PolarHBondContact O-N 3.05Å
248	V	96.7	Very high	88.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	22%	0.218	C	C	.	.			trans	-136.6	151.1	-173.3	-62.2	0	0	0	0	112.3	I209 S213 V224 M226 L244	I209-V248 HydrophobicContact CG2-CG1 3.97Å; S213-V248 VanDerWaalsContact OG-CG1 3.28Å; S213-V248 WeakPolarHBondContact OG-CG1 3.49Å; V224-V248 HydrophobicContact CG1-CG1 4.19Å; V224-V248 CarbonylContact O-C 3.44Å; V224-V248 WeakPolarHBondContact O-CA 3.38Å; M226-V248 HydrophobicContact CG-CB 4.24Å; M226-V248 HydrophobicContact SD-CB 4.14Å; M226-V248 HydrophobicContact SD-CG1 4.09Å; M226-V248 HydrophobicContact SD-CG2 4.09Å; L244-V248 HydrophobicContact CB-CG2 4.05Å; L244-V248 HydrophobicContact CD2-CG2 4.22Å; L244-V248 PolarHBondContact O-N 3.32Å
249	E	95.3	Very high	87.4	Confident	25 Å²	25	47 Å²	47	12%	0.117	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.3	168.8	-59.7	-178.4	-148.6	0	0	108	V224 L225 M226 W279	V224-E249 PolarHBondContact O-N 3.23Å; L225-E249 WeakPolarHBondContact CA-O 2.95Å; L225-E249 HydrophobicContact CD2-CB 3.76Å; M226-E249 PolarHBondContact N-O 3.01Å; E249-W279 PolarHBondContact OE2-NE1 2.89Å
250	P	93.8	Very high	86.2	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.2	-177	-20.9	34.2	0	0	0	111.6	M226 H228 I231 F271 V275 Y277 M278 W279	M226-P250 CarbonylContact O-C 3.49Å; M226-P250 WeakPolarHBondContact O-CA 3.45Å; H228-P250 HydrophobicContact CB-CB 4.21Å; I231-P250 HydrophobicContact CD1-CB 4.01Å; I231-P250 HydrophobicContact CD1-CG 3.6Å; P250-F271 HydrophobicContact CB-CD1 4.15Å; P250-F271 HydrophobicContact CB-CE1 3.85Å; P250-F271 HydrophobicContact CG-CD1 3.96Å; P250-F271 HydrophobicContact CG-CE1 3.92Å; P250-V275 HydrophobicContact CG-CG1 4.05Å; P250-V275 HydrophobicContact CG-CG2 3.93Å; P250-Y277 WeakPolarHBondContact CD-O 3.39Å; P250-M278 CarbonylContact O-C 3.2Å; P250-M278 WeakPolarHBondContact O-CA 3.47Å; P250-M278 WeakPolarHBondContact O-CG 3.42Å; P250-W279 PolarHBondContact O-N 3.16Å
251	V	91.1	Very high	85	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	105.3	177.6	-173.1	0	0	0	0	107.6	L225 M226 W227 H228 W253 W279 Y310	L225-V251 HydrophobicContact CB-CG2 3.87Å; L225-V251 HydrophobicContact CD1-CG2 4.44Å; M226-V251 WeakPolarHBondContact O-CB 3.17Å; M226-V251 WeakPolarHBondContact O-CG2 3.41Å; M226-V251 PolarHBondContact O-N 2.9Å; W227-V251 HydrophobicContact CE3-CB 3.79Å; W227-V251 HydrophobicContact CE3-CG1 3.73Å; W227-V251 HydrophobicContact CZ3-CB 4.07Å; W227-V251 HydrophobicContact CZ3-CG1 3.49Å; W227-V251 VanDerWaalsContact CZ3-CG1 3.49Å; H228-V251 WeakPolarHBondContact CB-O 3.36Å; H228-V251 PolarHBondContact N-O 3.18Å; H228-V251 PolarHBondContact ND1-O 3.04Å; V251-W253 PolarHBondContact O-N 3.33Å; V251-W279 HydrophobicContact CB-CB 4.19Å; V251-W279 HydrophobicContact CG1-CB 4.04Å; V251-W279 HydrophobicContact CG2-CB 3.9Å; V251-W279 HydrophobicContact CG2-CG 4.4Å; V251-Y310 HydrophobicContact CB-CE1 4.17Å; V251-Y310 HydrophobicContact CG1-CD1 4Å; V251-Y310 HydrophobicContact CG1-CE1 3.42Å; V251-Y310 VanDerWaalsContact CG1-CE1 3.42Å; V251-Y310 HydrophobicContact CG2-CD1 4.31Å; V251-Y310 HydrophobicContact CG2-CE1 3.65Å
252	L	88.3	Confident	83.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.9	177.3	-171.3	151.3	0	0	0	109.1	H228 L263 I267 W268 M278 W279 G280 S281 F330	H228-L252 HydrophobicContact CB-CB 4.44Å; H228-L252 WeakPolarHBondContact ND1-CA 3.35Å; L252-L263 HydrophobicContact CD1-CD1 4Å; L252-L263 HydrophobicContact CD1-CD2 4.2Å; L252-L263 HydrophobicContact CD2-CD1 3.77Å; L252-L263 HydrophobicContact CD2-CD2 3.85Å; L252-L263 HydrophobicContact CD2-CG 4.44Å; L252-L263 HydrophobicContact CG-CD1 4.44Å; L252-L263 HydrophobicContact CG-CD2 4.17Å; L252-I267 HydrophobicContact CD1-CD1 3.9Å; L252-I267 HydrophobicContact CD1-CG1 4.19Å; L252-W268 HydrophobicContact CD1-CH2 3.73Å; L252-W268 HydrophobicContact CD1-CZ2 4.07Å; L252-W268 HydrophobicContact CD1-CZ3 4.03Å; L252-W268 HydrophobicContact CD2-CH2 4.26Å; L252-W268 HydrophobicContact CG-CH2 4.49Å; L252-M278 HydrophobicContact CB-SD 4.2Å; L252-M278 HydrophobicContact CD1-SD 4.34Å; L252-W279 PolarHBondContact N-O 3.32Å; L252-G280 CarbonylContact O-C 3.59Å; L252-G280 WeakPolarHBondContact O-CA 3.24Å; L252-S281 PolarHBondContact O-N 3.21Å; L252-F330 HydrophobicContact CD2-CE1 4.37Å
253	W	84	Confident	82.9	Confident	45 Å²	45	49.1 Å²	49.1	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.5	176.6	73.2	-93.6	0	0	0	110.4	E180 W227 H228 D229 V251 Y255 S281	E180-W253 HydrophobicContact CG-CZ2 4.04Å; E180-W253 WeakPolarHBondContact OE1-CH2 3.42Å; W227-W253 AromaticContact CD2-CD1 3.93Å; W227-W253 HydrophobicContact CE3-CB 3.83Å; W227-W253 AromaticContact CE3-CD1 3.63Å; W227-W253 HydrophobicContact CE3-CG 4.01Å; W227-W253 HydrophobicContact CZ3-CB 3.77Å; W227-W253 HydrophobicContact CZ3-CG 4.36Å; H228-W253 AromaticContact CE1-CD1 3.89Å; H228-W253 PolarHBondContact CE1-O 2.73Å; H228-W253 AromaticContact ND1-CD1 3.56Å; H228-W253 PolarHBondContact ND1-N 3.35Å; D229-W253 PolarHBondContact OD1-NE1 2.53Å; V251-W253 PolarHBondContact O-N 3.33Å; W253-Y255 HydrophobicContact CE3-CD1 4.45Å; W253-Y255 HydrophobicContact CE3-CD2 4.26Å; W253-Y255 AromaticContact CE3-CE1 3.98Å; W253-Y255 HydrophobicContact CE3-CE1 3.98Å; W253-Y255 AromaticContact CE3-CE2 3.75Å; W253-Y255 HydrophobicContact CE3-CE2 3.75Å; W253-Y255 AromaticContact CE3-CZ 3.6Å; W253-Y255 HydrophobicContact CZ3-CD2 4.07Å; W253-Y255 AromaticContact CZ3-CE2 3.66Å; W253-Y255 HydrophobicContact CZ3-CE2 3.66Å; W253-S281 WeakPolarHBondContact CA-O 3.49Å
254	N	76.7	Confident	82	Confident	28 Å²	28	49.5 Å²	49.5	15%	0.15	25%	0.252	C	S	.	.			trans	-163.5	136.1	164	-164.9	-53.8	0	0	0	108.3	A256 L259 F262 L263 S281	N254-A256 WeakPolarHBondContact OD1-CB 3.43Å; N254-A256 PolarHBondContact OD1-N 2.91Å; N254-L259 HydrophobicContact CB-CD2 3.55Å; N254-F262 VanDerWaalsContact ND2-CB 3.27Å; N254-F262 WeakPolarHBondContact ND2-CB 3.19Å; N254-L263 HydrophobicContact CB-CD2 4.34Å; N254-S281 PolarHBondContact N-O 2.91Å
255	Y	71.3	Confident	81.3	Confident	106 Å²	106	58.9 Å²	58.9	42%	0.416	30%	0.298	S	S	.	.			trans	-98.2	0.4	-174.5	-49.2	-37.5	0	0	0	113.2	W253 A283	W253-Y255 HydrophobicContact CE3-CD1 4.45Å; W253-Y255 HydrophobicContact CE3-CD2 4.26Å; W253-Y255 AromaticContact CE3-CE1 3.98Å; W253-Y255 HydrophobicContact CE3-CE1 3.98Å; W253-Y255 AromaticContact CE3-CE2 3.75Å; W253-Y255 HydrophobicContact CE3-CE2 3.75Å; W253-Y255 AromaticContact CE3-CZ 3.6Å; W253-Y255 HydrophobicContact CZ3-CD2 4.07Å; W253-Y255 AromaticContact CZ3-CE2 3.66Å; W253-Y255 HydrophobicContact CZ3-CE2 3.66Å; Y255-A283 HydrophobicContact CD1-CB 3.61Å; Y255-A283 HydrophobicContact CE1-CB 4.48Å; Y255-A283 HydrophobicContact CG-CB 3.88Å
256	A	68.5	Low	80.7	Confident	26 Å²	26	55.6 Å²	55.6	22%	0.215	29%	0.292	C	S	.	.	S	Bend	trans	-70.4	149.5	175.9	0	0	0	0	0	112.1	N254 D258 F262	N254-A256 WeakPolarHBondContact OD1-CB 3.43Å; N254-A256 PolarHBondContact OD1-N 2.91Å; A256-D258 VanDerWaalsContact C-N 3.3Å; A256-D258 PolarHBondContact O-N 3.19Å; A256-F262 HydrophobicContact CB-CB 4.4Å; A256-F262 HydrophobicContact CB-CD1 4.44Å; A256-F262 HydrophobicContact CB-CD2 3.19Å; A256-F262 HydrophobicContact CB-CE2 3.4Å; A256-F262 HydrophobicContact CB-CG 3.77Å; A256-F262 HydrophobicContact CB-CZ 4.11Å
257	E	65.6	Low	80.1	Confident	134 Å²	134	51.6 Å²	51.6	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-66.1	-33.9	176.1	-67.6	177.8	-170.1	0	0	111.9	K285 Q331	E257-K285 IonicContact OE1-NZ 2.85Å; E257-K285 PolarHBondContact OE1-NZ 2.64Å; E257-Q331 PolarHBondContact O-NE2 3.32Å
258	D	69.7	Low	79.3	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.273	28%	0.276	S	S	.	.			trans	-113.7	93.1	177.2	-160.8	-21	0	0	0	111.6	A256 E260 A261 F262 R327	A256-D258 VanDerWaalsContact C-N 3.3Å; A256-D258 PolarHBondContact O-N 3.19Å; D258-E260 PolarHBondContact O-N 2.9Å; D258-E260 PolarHBondContact OD1-N 3.11Å; D258-A261 HydrophobicContact CB-CB 4.2Å; D258-A261 WeakPolarHBondContact O-CB 3.39Å; D258-A261 PolarHBondContact O-N 3.12Å; D258-A261 VanDerWaalsContact O-N 3.11Å; D258-F262 WeakPolarHBondContact O-CD2 3.46Å; D258-R327 IonicContact OD1-CZ 3.54Å; D258-R327 IonicContact OD1-NH2 2.75Å; D258-R327 IonicContact OD2-CZ 2.87Å; D258-R327 IonicContact OD2-NH1 3.88Å; D258-R327 IonicContact OD2-NH2 3.91Å; D258-R327 PolarHBondContact OD2-NH2 3.42Å
259	L	68.8	Low	78.7	Confident	20 Å²	20	57 Å²	57	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-53.9	-38.4	179.2	-66.5	-176.8	0	0	0	113.6	N254 A261 F262 L263 F330	N254-L259 HydrophobicContact CB-CD2 3.55Å; L259-A261 PolarHBondContact O-N 3.25Å; L259-F262 PolarHBondContact O-N 3.22Å; L259-F262 VanDerWaalsContact O-N 3.12Å; L259-L263 HydrophobicContact CB-CD1 3.88Å; L259-L263 HydrophobicContact CB-CG 4.49Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.17Å; L259-L263 PolarHBondContact O-N 2.7Å; L259-F330 HydrophobicContact CD1-CB 3.39Å; L259-F330 HydrophobicContact CD1-CD1 3.5Å; L259-F330 HydrophobicContact CD1-CD2 3.8Å; L259-F330 HydrophobicContact CD1-CE1 4.12Å; L259-F330 HydrophobicContact CD1-CE2 4.44Å; L259-F330 HydrophobicContact CD1-CG 3.3Å; L259-F330 HydrophobicContact CG-CB 4.42Å
260	E	69.1	Low	78.3	Confident	106 Å²	106	58.2 Å²	58.2	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-24.9	-176.5	-67.6	-175	170.7	0	0	112	D258 F262	D258-E260 PolarHBondContact O-N 2.9Å; D258-E260 PolarHBondContact OD1-N 3.11Å; E260-F262 VanDerWaalsContact C-N 3.34Å
261	A	72.1	Confident	78	Confident	74 Å²	74	58.2 Å²	58.2	61%	0.612	30%	0.302	S	S	*	.	H	α-helix	trans	-76.3	-22.1	177.2	0	0	0	0	0	113.1	D258 L259	D258-A261 HydrophobicContact CB-CB 4.2Å; D258-A261 WeakPolarHBondContact O-CB 3.39Å; D258-A261 PolarHBondContact O-N 3.12Å; D258-A261 VanDerWaalsContact O-N 3.11Å; L259-A261 PolarHBondContact O-N 3.25Å
262	F	73.7	Confident	77.8	Confident	137 Å²	137	59.5 Å²	59.5	60%	0.601	31%	0.313	S	S	*	.	H	α-helix	trans	-115.9	-17.2	-172.8	-68.7	-91.1	0	0	0	114.1	N254 A256 D258 L259 E260	N254-F262 VanDerWaalsContact ND2-CB 3.27Å; N254-F262 WeakPolarHBondContact ND2-CB 3.19Å; A256-F262 HydrophobicContact CB-CB 4.4Å; A256-F262 HydrophobicContact CB-CD1 4.44Å; A256-F262 HydrophobicContact CB-CD2 3.19Å; A256-F262 HydrophobicContact CB-CE2 3.4Å; A256-F262 HydrophobicContact CB-CG 3.77Å; A256-F262 HydrophobicContact CB-CZ 4.11Å; D258-F262 WeakPolarHBondContact O-CD2 3.46Å; L259-F262 PolarHBondContact O-N 3.22Å; L259-F262 VanDerWaalsContact O-N 3.12Å; E260-F262 VanDerWaalsContact C-N 3.34Å
263	L	76.5	Confident	77.8	Confident	18 Å²	18	63 Å²	63	9%	0.094	34%	0.342	C	S	.	.	S	Bend	trans	-88	141.9	176	-62.8	171.6	0	0	0	110.9	L252 N254 L259 I267 W268	L252-L263 HydrophobicContact CD1-CD1 4Å; L252-L263 HydrophobicContact CD1-CD2 4.2Å; L252-L263 HydrophobicContact CD2-CD1 3.77Å; L252-L263 HydrophobicContact CD2-CD2 3.85Å; L252-L263 HydrophobicContact CD2-CG 4.44Å; L252-L263 HydrophobicContact CG-CD1 4.44Å; L252-L263 HydrophobicContact CG-CD2 4.17Å; N254-L263 HydrophobicContact CB-CD2 4.34Å; L259-L263 HydrophobicContact CB-CD1 3.88Å; L259-L263 HydrophobicContact CB-CG 4.49Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.17Å; L259-L263 PolarHBondContact O-N 2.7Å; L263-I267 HydrophobicContact CB-CD1 4.44Å; L263-I267 HydrophobicContact CB-CG2 4.04Å; L263-I267 HydrophobicContact CD1-CG2 4.36Å; L263-I267 HydrophobicContact CD2-CD1 4.11Å; L263-W268 HydrophobicContact CD1-CZ2 3.94Å
264	P	77.6	Confident	78.1	Confident	66 Å²	66	61.3 Å²	61.3	43%	0.429	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-53	141	173	-25.9	33.4	0	0	0	112.4	G266 I267	P264-G266 PolarHBondContact O-N 3.26Å; P264-I267 WeakPolarHBondContact O-CB 3.27Å; P264-I267 WeakPolarHBondContact O-CG2 3.37Å; P264-I267 PolarHBondContact O-N 3.23Å
265	M	80.3	Confident	78.7	Confident	197 Å²	197	60.2 Å²	60.2	97%	0.97	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	130.1	173.7	-170.8	-176.3	-58.8	0	0	109.7
266	G	82.5	Confident	79.5	Confident	27 Å²	27	57.4 Å²	57.4	28%	0.278	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	4.1	179.4	0	0	0	0	0	115.2	P264 W268 E269 T270	P264-G266 PolarHBondContact O-N 3.26Å; G266-W268 PolarHBondContact O-N 3.03Å; G266-E269 VanDerWaalsContact CA-OE2 3.26Å; G266-E269 WeakPolarHBondContact CA-OE2 3.24Å; G266-E269 PolarHBondContact O-N 3.46Å; G266-E269 VanDerWaalsContact O-N 3.17Å; G266-T270 PolarHBondContact O-N 2.78Å; G266-T270 PolarHBondContact O-OG1 3.24Å; G266-T270 VanDerWaalsContact O-OG1 3.09Å
267	I	82.7	Confident	80.4	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-53.9	-39.2	-177.6	-169.9	157.3	0	0	0	113.1	A232 L252 L263 P264 T270 F271	A232-I267 HydrophobicContact CB-CD1 4.45Å; L252-I267 HydrophobicContact CD1-CD1 3.9Å; L252-I267 HydrophobicContact CD1-CG1 4.19Å; L263-I267 HydrophobicContact CB-CD1 4.44Å; L263-I267 HydrophobicContact CB-CG2 4.04Å; L263-I267 HydrophobicContact CD1-CG2 4.36Å; L263-I267 HydrophobicContact CD2-CD1 4.11Å; P264-I267 WeakPolarHBondContact O-CB 3.27Å; P264-I267 WeakPolarHBondContact O-CG2 3.37Å; P264-I267 PolarHBondContact O-N 3.23Å; I267-T270 PolarHBondContact O-N 3.45Å; I267-F271 HydrophobicContact CD1-CD2 4.47Å; I267-F271 HydrophobicContact CD1-CE2 3.9Å; I267-F271 HydrophobicContact CG1-CD2 3.62Å; I267-F271 HydrophobicContact CG1-CE2 3.49Å; I267-F271 VanDerWaalsContact CG1-CE2 3.49Å; I267-F271 WeakPolarHBondContact O-CD2 3.4Å; I267-F271 PolarHBondContact O-N 3.44Å
268	W	81.7	Confident	81.3	Confident	51 Å²	51	55.3 Å²	55.3	19%	0.193	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-43.1	-177.9	-58.3	104.9	0	0	0	111.1	L252 L263 G266 A272 M278 L318 I326 F330	L252-W268 HydrophobicContact CD1-CH2 3.73Å; L252-W268 HydrophobicContact CD1-CZ2 4.07Å; L252-W268 HydrophobicContact CD1-CZ3 4.03Å; L252-W268 HydrophobicContact CD2-CH2 4.26Å; L252-W268 HydrophobicContact CG-CH2 4.49Å; L263-W268 HydrophobicContact CD1-CZ2 3.94Å; G266-W268 PolarHBondContact O-N 3.03Å; W268-A272 VanDerWaalsContact O-CB 3.24Å; W268-A272 WeakPolarHBondContact O-CB 3.34Å; W268-A272 PolarHBondContact O-N 3.29Å; W268-M278 HydrophobicContact CD2-CE 4.49Å; W268-M278 HydrophobicContact CE3-CE 3.31Å; W268-M278 HydrophobicContact CZ3-CE 3.45Å; W268-M278 VanDerWaalsContact CZ3-CE 3.45Å; W268-M278 HydrophobicContact CZ3-SD 4.39Å; W268-L318 HydrophobicContact CE3-CD1 4.38Å; W268-L318 HydrophobicContact CE3-CD2 3.97Å; W268-L318 HydrophobicContact CZ3-CD1 4.49Å; W268-L318 HydrophobicContact CZ3-CD2 3.85Å; W268-I326 HydrophobicContact CH2-CG2 4.4Å; W268-I326 HydrophobicContact CZ2-CG2 4.43Å; W268-F330 AromaticContact CH2-CE2 3.6Å; W268-F330 HydrophobicContact CH2-CE2 3.6Å; W268-F330 AromaticContact CH2-CZ 3.59Å; W268-F330 HydrophobicContact CH2-CZ 3.59Å; W268-F330 HydrophobicContact CZ2-CE2 4.35Å; W268-F330 HydrophobicContact CZ3-CE2 4.33Å; W268-F330 HydrophobicContact CZ3-CZ 4.28Å
269	E	84.2	Confident	82.2	Confident	79 Å²	79	53 Å²	53	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-43	175.1	-66	78.2	-177.4	0	0	111.1	G266 A272 A273 F319 R323	G266-E269 VanDerWaalsContact CA-OE2 3.26Å; G266-E269 WeakPolarHBondContact CA-OE2 3.24Å; G266-E269 PolarHBondContact O-N 3.46Å; G266-E269 VanDerWaalsContact O-N 3.17Å; E269-A272 PolarHBondContact O-N 3.09Å; E269-A273 PolarHBondContact O-N 2.75Å; E269-F319 HydrophobicContact CG-CE1 4.2Å; E269-F319 HydrophobicContact CG-CZ 4.13Å; E269-R323 IonicContact OE1-NH2 3.45Å
270	T	85.5	Confident	82.9	Confident	51 Å²	51	52 Å²	52	31%	0.313	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-53.4	175.2	-61.4	0	0	0	0	111	G266 I267 A272 A273 M274	G266-T270 PolarHBondContact O-N 2.78Å; G266-T270 PolarHBondContact O-OG1 3.24Å; G266-T270 VanDerWaalsContact O-OG1 3.09Å; I267-T270 PolarHBondContact O-N 3.45Å; T270-A272 VanDerWaalsContact C-N 3.34Å; T270-A272 PolarHBondContact O-N 3.37Å; T270-A273 PolarHBondContact O-N 3.28Å; T270-M274 HydrophobicContact CG2-CE 3.72Å; T270-M274 HydrophobicContact CG2-SD 4.26Å; T270-M274 WeakPolarHBondContact O-CG 3.44Å; T270-M274 PolarHBondContact O-N 2.82Å
271	F	88.5	Confident	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-38	178.2	-80.6	-63.4	0	0	0	112.9	H228 I231 A232 P250 I267 A273 M274 V275 M278	H228-F271 HydrophobicContact CB-CE1 4.37Å; H228-F271 HydrophobicContact CB-CE2 4.09Å; H228-F271 HydrophobicContact CB-CZ 3.64Å; H228-F271 AromaticContact CD2-CE2 3.91Å; I231-F271 HydrophobicContact CD1-CE1 3.87Å; I231-F271 HydrophobicContact CG1-CE1 3.86Å; I231-F271 HydrophobicContact CG1-CZ 4.27Å; A232-F271 HydrophobicContact CB-CE2 4.35Å; A232-F271 HydrophobicContact CB-CZ 4.15Å; P250-F271 HydrophobicContact CB-CD1 4.15Å; P250-F271 HydrophobicContact CB-CE1 3.85Å; P250-F271 HydrophobicContact CG-CD1 3.96Å; P250-F271 HydrophobicContact CG-CE1 3.92Å; I267-F271 HydrophobicContact CD1-CD2 4.47Å; I267-F271 HydrophobicContact CD1-CE2 3.9Å; I267-F271 HydrophobicContact CG1-CD2 3.62Å; I267-F271 HydrophobicContact CG1-CE2 3.49Å; I267-F271 VanDerWaalsContact CG1-CE2 3.49Å; I267-F271 WeakPolarHBondContact O-CD2 3.4Å; I267-F271 PolarHBondContact O-N 3.44Å; F271-A273 PolarHBondContact O-N 2.96Å; F271-M274 HydrophobicContact CD1-CE 3.45Å; F271-M274 VanDerWaalsContact CD1-CE 3.45Å; F271-M274 HydrophobicContact CE1-CE 3.64Å; F271-M274 HydrophobicContact CG-CE 4.12Å; F271-M274 HydrophobicContact CZ-CE 4.45Å; F271-M274 PolarHBondContact O-N 3.44Å; F271-V275 HydrophobicContact CB-CG2 4.4Å; F271-V275 HydrophobicContact CD1-CG2 4.3Å; F271-V275 VanDerWaalsContact O-CG2 3.23Å; F271-V275 WeakPolarHBondContact O-CG2 3.33Å; F271-V275 PolarHBondContact O-N 3.04Å; F271-M278 HydrophobicContact CB-CE 3.71Å; F271-M278 HydrophobicContact CB-SD 3.68Å; F271-M278 HydrophobicContact CD1-SD 4.23Å; F271-M278 HydrophobicContact CD2-CE 4.26Å; F271-M278 HydrophobicContact CD2-SD 3.54Å; F271-M278 VanDerWaalsContact CD2-SD 3.54Å; F271-M278 HydrophobicContact CE2-SD 4.28Å; F271-M278 HydrophobicContact CG-CE 4.2Å; F271-M278 HydrophobicContact CG-SD 3.54Å; F271-M278 VanDerWaalsContact CG-SD 3.54Å
272	A	86.2	Confident	83.4	Confident	27 Å²	27	44 Å²	44	22%	0.223	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-28	177.9	0	0	0	0	0	113.8	W268 E269 T270 T315 F319	W268-A272 VanDerWaalsContact O-CB 3.24Å; W268-A272 WeakPolarHBondContact O-CB 3.34Å; W268-A272 PolarHBondContact O-N 3.29Å; E269-A272 PolarHBondContact O-N 3.09Å; T270-A272 VanDerWaalsContact C-N 3.34Å; T270-A272 PolarHBondContact O-N 3.37Å; A272-T315 HydrophobicContact CB-CG2 4.32Å; A272-F319 HydrophobicContact CB-CD2 4.34Å; A272-F319 HydrophobicContact CB-CE2 3.39Å; A272-F319 HydrophobicContact CB-CZ 4.02Å
273	A	88.3	Confident	83	Confident	74 Å²	74	39.2 Å²	39.2	61%	0.612	23%	0.226	S	C	*	.	H	α-helix	trans	-75.5	-24	172.3	0	0	0	0	0	113.1	A236 E269 T270 F271	A236-A273 HydrophobicContact CB-CB 4.27Å; E269-A273 PolarHBondContact O-N 2.75Å; T270-A273 PolarHBondContact O-N 3.28Å; F271-A273 PolarHBondContact O-N 2.96Å
274	M	90.6	Very high	81.7	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.044	25%	0.245	C	C	.	.	H	α-helix	trans	-98	-38	-172.8	-66.4	-173	-57.1	0	0	114.1	I234 A236 A239 K245 T270 F271	I234-M274 HydrophobicContact CD1-SD 4.06Å; I234-M274 HydrophobicContact CG1-SD 3.6Å; I234-M274 VanDerWaalsContact CG1-SD 3.6Å; A236-M274 HydrophobicContact CB-CG 4.31Å; A239-M274 HydrophobicContact CB-CB 3.86Å; A239-M274 HydrophobicContact CB-CG 3.57Å; A239-M274 HydrophobicContact CB-SD 3.72Å; K245-M274 WeakPolarHBondContact CB-O 3.46Å; T270-M274 HydrophobicContact CG2-CE 3.72Å; T270-M274 HydrophobicContact CG2-SD 4.26Å; T270-M274 WeakPolarHBondContact O-CG 3.44Å; T270-M274 PolarHBondContact O-N 2.82Å; F271-M274 HydrophobicContact CD1-CE 3.45Å; F271-M274 VanDerWaalsContact CD1-CE 3.45Å; F271-M274 HydrophobicContact CE1-CE 3.64Å; F271-M274 HydrophobicContact CG-CE 4.12Å; F271-M274 HydrophobicContact CZ-CE 4.45Å; F271-M274 PolarHBondContact O-N 3.44Å
275	V	90.3	Very high	80.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	25%	0.253	C	S	.	.			trans	-136.7	148.7	-169.2	-67.2	0	0	0	0	111.8	L244 P250 F271 Y277 T315	L244-V275 HydrophobicContact CB-CG1 4.48Å; P250-V275 HydrophobicContact CG-CG1 4.05Å; P250-V275 HydrophobicContact CG-CG2 3.93Å; F271-V275 HydrophobicContact CB-CG2 4.4Å; F271-V275 HydrophobicContact CD1-CG2 4.3Å; F271-V275 VanDerWaalsContact O-CG2 3.23Å; F271-V275 WeakPolarHBondContact O-CG2 3.33Å; F271-V275 PolarHBondContact O-N 3.04Å; V275-Y277 WeakPolarHBondContact CG2-O 3.4Å; V275-T315 HydrophobicContact CG2-CG2 4.5Å; V275-T315 WeakPolarHBondContact O-CG2 3.09Å; V275-T315 PolarHBondContact O-OG1 2.74Å; V275-T315 VanDerWaalsContact O-OG1 3.07Å
276	P	86.8	Confident	78.6	Confident	48 Å²	48	38.3 Å²	38.3	31%	0.312	21%	0.213	S	C	.	.	S	Bend	trans	-81.4	-22	178.2	31.1	-33.7	0	0	0	112.7	K245 S314 T315	K245-P276 WeakPolarHBondContact O-CD 3.21Å; K245-P276 WeakPolarHBondContact O-CG 3.33Å; P276-S314 CarbonylContact O-C 3.49Å; P276-S314 VanDerWaalsContact O-CA 3.27Å; P276-S314 WeakPolarHBondContact O-CA 3.45Å; P276-T315 PolarHBondContact O-N 3.17Å; P276-T315 PolarHBondContact O-OG1 3.38Å
277	Y	87.5	Confident	76.6	Confident	114 Å²	114	39.8 Å²	39.8	45%	0.447	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.1	-179.9	-56.5	-78.2	0	0	0	111.9	P250 V275 Y313	P250-Y277 WeakPolarHBondContact CD-O 3.39Å; V275-Y277 WeakPolarHBondContact CG2-O 3.4Å; Y277-Y313 WeakPolarHBondContact CA-O 3.15Å; Y277-Y313 WeakPolarHBondContact CD1-O 3.4Å
278	M	85.6	Confident	74.7	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.2	172.5	178.6	166.9	49.7	0	0	109.5	P250 L252 W268 F271 Y313 L318	P250-M278 CarbonylContact O-C 3.2Å; P250-M278 WeakPolarHBondContact O-CA 3.47Å; P250-M278 WeakPolarHBondContact O-CG 3.42Å; L252-M278 HydrophobicContact CB-SD 4.2Å; L252-M278 HydrophobicContact CD1-SD 4.34Å; W268-M278 HydrophobicContact CD2-CE 4.49Å; W268-M278 HydrophobicContact CE3-CE 3.31Å; W268-M278 HydrophobicContact CZ3-CE 3.45Å; W268-M278 VanDerWaalsContact CZ3-CE 3.45Å; W268-M278 HydrophobicContact CZ3-SD 4.39Å; F271-M278 HydrophobicContact CB-CE 3.71Å; F271-M278 HydrophobicContact CB-SD 3.68Å; F271-M278 HydrophobicContact CD1-SD 4.23Å; F271-M278 HydrophobicContact CD2-CE 4.26Å; F271-M278 HydrophobicContact CD2-SD 3.54Å; F271-M278 VanDerWaalsContact CD2-SD 3.54Å; F271-M278 HydrophobicContact CE2-SD 4.28Å; F271-M278 HydrophobicContact CG-CE 4.2Å; F271-M278 HydrophobicContact CG-SD 3.54Å; F271-M278 VanDerWaalsContact CG-SD 3.54Å; M278-Y313 PolarHBondContact N-O 3.17Å; M278-Y313 PolarHBondContact O-N 3.26Å; M278-L318 HydrophobicContact CB-CD1 4.29Å; M278-L318 HydrophobicContact CE-CD1 3.67Å
279	W	87.8	Confident	72.6	Confident	3 Å²	3	43 Å²	43	1%	0.011	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	156.7	178.9	-62.2	71	0	0	0	111.8	R39 F173 L225 E249 P250 V251 L252 Y310 Y311 G312	R39-W279 HydrophobicContact CB-CZ3 4.14Å; R39-W279 HydrophobicContact CG-CZ3 4.48Å; F173-W279 HydrophobicContact CD1-CZ2 4.08Å; F173-W279 HydrophobicContact CD2-CH2 4.42Å; F173-W279 HydrophobicContact CD2-CZ2 4.49Å; F173-W279 HydrophobicContact CE1-CH2 4.41Å; F173-W279 AromaticContact CE1-CZ2 3.61Å; F173-W279 HydrophobicContact CE1-CZ2 3.61Å; F173-W279 HydrophobicContact CE2-CH2 4.11Å; F173-W279 HydrophobicContact CE2-CZ2 4.07Å; F173-W279 HydrophobicContact CZ-CH2 4.11Å; F173-W279 AromaticContact CZ-CZ2 3.61Å; F173-W279 HydrophobicContact CZ-CZ2 3.61Å; L225-W279 HydrophobicContact CD2-CD2 4.36Å; L225-W279 HydrophobicContact CD2-CG 4.4Å; L225-W279 HydrophobicContact CD2-CZ2 4.11Å; E249-W279 PolarHBondContact OE2-NE1 2.89Å; P250-W279 PolarHBondContact O-N 3.16Å; V251-W279 HydrophobicContact CB-CB 4.19Å; V251-W279 HydrophobicContact CG1-CB 4.04Å; V251-W279 HydrophobicContact CG2-CB 3.9Å; V251-W279 HydrophobicContact CG2-CG 4.4Å; L252-W279 PolarHBondContact N-O 3.32Å; W279-Y310 HydrophobicContact CB-CD1 4.13Å; W279-Y310 HydrophobicContact CD2-CD1 4.09Å; W279-Y310 AromaticContact CE3-CD1 3.59Å; W279-Y310 HydrophobicContact CE3-CD1 3.59Å; W279-Y310 AromaticContact CE3-CG 3.96Å; W279-Y310 HydrophobicContact CE3-CG 3.96Å; W279-Y310 HydrophobicContact CG-CD1 4.36Å; W279-Y310 HydrophobicContact CZ3-CD1 4.2Å; W279-Y310 HydrophobicContact CZ3-CG 4.36Å; W279-Y311 VanDerWaalsContact CA-O 3.22Å; W279-Y311 WeakPolarHBondContact CA-O 3.42Å; W279-G312 VanDerWaalsContact CE3-N 3.32Å
280	G	83.3	Confident	70.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.1	171.8	0	0	0	0	0	112	L252 I309 Y310	L252-G280 CarbonylContact O-C 3.59Å; L252-G280 WeakPolarHBondContact O-CA 3.24Å; G280-I309 CarbonylContact C-O 3.5Å; G280-I309 CarbonylContact O-C 3.47Å; G280-Y310 WeakPolarHBondContact O-CA 3.14Å; G280-Y310 PolarHBondContact O-N 3.44Å
281	S	82.3	Confident	68.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	106.6	174.5	177.6	0	0	0	0	108.9	L252 W253 N254 S308	L252-S281 PolarHBondContact O-N 3.21Å; W253-S281 WeakPolarHBondContact CA-O 3.49Å; N254-S281 PolarHBondContact N-O 2.91Å; S281-S308 WeakPolarHBondContact OG-CB 3.33Å; S281-S308 PolarHBondContact OG-OG 3.45Å
282	S	70.4	Confident	66.4	Low	11 Å²	11	56.4 Å²	56.4	8%	0.077	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-95.7	166.6	172.8	58.3	0	0	0	0	110.7	L307 S308 F330	S282-L307 CarbonylContact O-C 3.42Å; S282-L307 PolarHBondContact OG-O 3.05Å; S282-S308 VanDerWaalsContact O-CA 3.29Å; S282-S308 WeakPolarHBondContact O-CA 3.42Å; S282-F330 WeakPolarHBondContact CB-O 3.27Å
283	A	63.9	Low	64.2	Low	37 Å²	37	66.2 Å²	66.2	31%	0.306	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-97.4	144	164.8	0	0	0	0	0	111.2	Y255	Y255-A283 HydrophobicContact CD1-CB 3.61Å; Y255-A283 HydrophobicContact CE1-CB 4.48Å; Y255-A283 HydrophobicContact CG-CB 3.88Å
284	F	50.8	Low	61.5	Low	112 Å²	112	67.5 Å²	67.5	49%	0.491	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-92.1	118.3	155.5	-175.3	-96.8	0	0	0	107.6	G286 L307	F284-G286 PolarHBondContact O-N 3.45Å; F284-L307 HydrophobicContact CB-CB 3.41Å; F284-L307 VanDerWaalsContact CB-CB 3.41Å; F284-L307 HydrophobicContact CG-CB 4.29Å
285	K	49	Very low	58.6	Low	138 Å²	138	71.2 Å²	71.2	60%	0.6	37%	0.367	S	S	*	.	S	Bend	trans	-76.4	106.3	-161.1	-168.1	177.9	-172.6	179.2	0	112.5	E257	E257-K285 IonicContact OE1-NZ 2.85Å; E257-K285 PolarHBondContact OE1-NZ 2.64Å
286	G	42.3	Very low	55.9	Low	12 Å²	12	75.4 Å²	75.4	12%	0.124	39%	0.393	C	S	.	.	S	Bend	trans	-114.5	-14.1	155.7	0	0	0	0	0	113.9	F284 D304	F284-G286 PolarHBondContact O-N 3.45Å; G286-D304 VanDerWaalsContact CA-OD1 3.27Å; G286-D304 WeakPolarHBondContact CA-OD1 3.46Å
287	A	41.4	Very low	53.4	Low	58 Å²	58	74.9 Å²	74.9	48%	0.479	39%	0.387	S	S	.	.			trans	-107.4	128.1	177.5	0	0	0	0	0	111.2
288	D	41.6	Very low	50.7	Low	77 Å²	77	75.8 Å²	75.8	41%	0.412	40%	0.399	S	S	.	.	S	Bend	trans	-97.2	-8.4	178.6	64.1	-37.4	0	0	0	113.5	R292	D288-R292 WeakPolarHBondContact OD1-CD 3.1Å; D288-R292 WeakPolarHBondContact OD1-CG 3.06Å; D288-R292 IonicContact OD1-NE 2.84Å; D288-R292 PolarHBondContact OD1-NE 3.09Å; D288-R292 IonicContact OD2-CZ 3.82Å; D288-R292 IonicContact OD2-NE 3.77Å; D288-R292 PolarHBondContact OD2-NE 3Å; D288-R292 IonicContact OD2-NH2 3.18Å; D288-R292 PolarHBondContact OD2-NH2 2.9Å
289	S	39.4	Very low	48.2	Very low	46 Å²	46	80.3 Å²	80.3	32%	0.322	43%	0.431	S	S	.	.	S	Bend	trans	-167.4	161	168	92.3	0	0	0	0	111.6	N291 R292	S289-N291 PolarHBondContact O-N 3.31Å; S289-N291 VanDerWaalsContact O-N 3.13Å; S289-R292 VanDerWaalsContact OG-CG 3.3Å; S289-R292 WeakPolarHBondContact OG-CG 3.34Å
290	P	46.1	Very low	45.6	Very low	130 Å²	130	86.5 Å²	86.5	84%	0.844	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.5	-177.1	23.5	-32.8	0	0	0	114.9
291	N	42.4	Very low	43	Very low	129 Å²	129	89.9 Å²	89.9	69%	0.69	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	26.3	-172.1	-66.9	-25.2	0	0	0	113.5	S289	S289-N291 PolarHBondContact O-N 3.31Å; S289-N291 VanDerWaalsContact O-N 3.13Å
292	R	38.2	Very low	40.7	Very low	154 Å²	154	93.1 Å²	93.1	58%	0.581	52%	0.519	S	S	*	.			trans	-89.4	115.5	-174.5	-73.4	-82.5	-154.6	-136.6	4.9	111.7	D288 S289 V294	D288-R292 WeakPolarHBondContact OD1-CD 3.1Å; D288-R292 WeakPolarHBondContact OD1-CG 3.06Å; D288-R292 IonicContact OD1-NE 2.84Å; D288-R292 PolarHBondContact OD1-NE 3.09Å; D288-R292 IonicContact OD2-CZ 3.82Å; D288-R292 IonicContact OD2-NE 3.77Å; D288-R292 PolarHBondContact OD2-NE 3Å; D288-R292 IonicContact OD2-NH2 3.18Å; D288-R292 PolarHBondContact OD2-NH2 2.9Å; S289-R292 VanDerWaalsContact OG-CG 3.3Å; S289-R292 WeakPolarHBondContact OG-CG 3.34Å; R292-V294 VanDerWaalsContact C-N 3.3Å; R292-V294 PolarHBondContact O-N 2.74Å
293	Y	39.6	Very low	39	Very low	232 Å²	232	94.2 Å²	94.2	91%	0.91	52%	0.523	S	S	*	.	S	Bend	trans	-76.8	-13.9	177.5	-66.6	-87.2	0	0	0	114
294	V	31.4	Very low	37.4	Very low	101 Å²	101	96 Å²	96	61%	0.612	53%	0.527	S	S	*	.	S	Bend	trans	-121.4	113.4	-176.1	-175.5	0	0	0	0	108.8	R292 T296	R292-V294 VanDerWaalsContact C-N 3.3Å; R292-V294 PolarHBondContact O-N 2.74Å; V294-T296 PolarHBondContact O-N 2.89Å; V294-T296 VanDerWaalsContact O-N 3.17Å
295	L	30.2	Very low	36.7	Very low	88 Å²	88	92.3 Å²	92.3	46%	0.461	51%	0.511	S	S	.	.			trans	-53.8	118	167.7	-85.5	129.8	0	0	0	109	L297 L298 D304	L295-L297 HydrophobicContact CD2-CB 4.4Å; L295-L297 HydrophobicContact CD2-CD1 4.47Å; L295-L297 PolarHBondContact O-N 3.22Å; L295-L298 PolarHBondContact O-N 3.02Å; L295-D304 HydrophobicContact CD2-CB 4.39Å; L295-D304 WeakPolarHBondContact CD2-OD2 3.21Å
296	T	33.2	Very low	36.2	Very low	92 Å²	92	88.6 Å²	88.6	56%	0.564	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-3.9	173.4	-38.9	0	0	0	0	112	V294	V294-T296 PolarHBondContact O-N 2.89Å; V294-T296 VanDerWaalsContact O-N 3.17Å
297	L	34.4	Very low	35.8	Very low	37 Å²	37	89.8 Å²	89.8	19%	0.194	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.3	-176.1	-76.1	165.4	0	0	0	116	L295 S299 N300 G301 V302	L295-L297 HydrophobicContact CD2-CB 4.4Å; L295-L297 HydrophobicContact CD2-CD1 4.47Å; L295-L297 PolarHBondContact O-N 3.22Å; L297-S299 PolarHBondContact O-N 3.44Å; L297-N300 PolarHBondContact O-N 2.87Å; L297-G301 PolarHBondContact O-N 3.48Å; L297-V302 WeakPolarHBondContact CB-O 3.18Å; L297-V302 VanDerWaalsContact CD1-O 3.25Å; L297-V302 WeakPolarHBondContact CD1-O 3.38Å; L297-V302 HydrophobicContact CD2-CB 3.72Å; L297-V302 HydrophobicContact CD2-CG2 4.48Å
298	L	32.2	Very low	35.8	Very low	134 Å²	134	87 Å²	87	70%	0.702	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.7	178.8	-79.1	169	0	0	0	115	L295	L295-L298 PolarHBondContact O-N 3.02Å
299	S	33.2	Very low	36	Very low	95 Å²	95	84 Å²	84	66%	0.664	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-17.4	174.2	59.3	0	0	0	0	114.7	L297	L297-S299 PolarHBondContact O-N 3.44Å
300	N	33	Very low	36.4	Very low	134 Å²	134	81.8 Å²	81.8	72%	0.717	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	5.8	-172.3	-73	-45.7	0	0	0	116.2	L297 V302	L297-N300 PolarHBondContact O-N 2.87Å; N300-V302 PolarHBondContact O-N 3.26Å
301	G	29.2	Very low	36.5	Very low	70 Å²	70	76 Å²	76	72%	0.722	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	24.2	167.6	0	0	0	0	0	116	L297	L297-G301 PolarHBondContact O-N 3.48Å
302	V	32.5	Very low	36.4	Very low	69 Å²	69	71.9 Å²	71.9	42%	0.418	39%	0.394	S	S	.	.			trans	-93.9	136.6	173	-171.8	0	0	0	0	108.1	L297 N300	L297-V302 WeakPolarHBondContact CB-O 3.18Å; L297-V302 VanDerWaalsContact CD1-O 3.25Å; L297-V302 WeakPolarHBondContact CD1-O 3.38Å; L297-V302 HydrophobicContact CD2-CB 3.72Å; L297-V302 HydrophobicContact CD2-CG2 4.48Å; N300-V302 PolarHBondContact O-N 3.26Å
303	M	34.3	Very low	36.6	Very low	33 Å²	33	64.9 Å²	64.9	16%	0.163	37%	0.367	C	S	.	.			trans	-78.1	149.7	176.7	-90.8	167.5	-74.1	0	0	110.9	F59 F305 L356 F357	F59-M303 HydrophobicContact CD1-CE 3.99Å; F59-M303 HydrophobicContact CE1-CE 3.19Å; F59-M303 HydrophobicContact CE1-SD 4.17Å; F59-M303 HydrophobicContact CE2-CE 3.76Å; F59-M303 HydrophobicContact CE2-SD 3.65Å; F59-M303 HydrophobicContact CZ-CE 3.05Å; F59-M303 HydrophobicContact CZ-SD 3.4Å; F59-M303 WeakPolarHBondContact CZ-SD 3.38Å; M303-F305 VanDerWaalsContact C-N 3.33Å; M303-F305 HydrophobicContact CB-CD2 3.62Å; M303-F305 HydrophobicContact CB-CE1 4.42Å; M303-F305 HydrophobicContact CB-CE2 3.38Å; M303-F305 HydrophobicContact CB-CG 4.28Å; M303-F305 HydrophobicContact CB-CZ 3.82Å; M303-F305 HydrophobicContact CE-CE2 3.51Å; M303-F305 HydrophobicContact CE-CZ 3.52Å; M303-F305 HydrophobicContact CG-CE2 4.16Å; M303-F305 HydrophobicContact CG-CZ 4.23Å; M303-F305 PolarHBondContact O-N 3.3Å; M303-F305 HydrophobicContact SD-CE1 4.23Å; M303-F305 HydrophobicContact SD-CE2 3.82Å; M303-F305 HydrophobicContact SD-CZ 3.42Å; M303-F305 WeakPolarHBondContact SD-CZ 3.31Å; M303-L356 HydrophobicContact CE-CD2 4Å; M303-L356 HydrophobicContact SD-CD2 4.01Å; M303-F357 HydrophobicContact CG-CE1 3.91Å; M303-F357 HydrophobicContact CG-CZ 3.5Å; M303-F357 VanDerWaalsContact CG-CZ 3.5Å; M303-F357 HydrophobicContact SD-CE1 3.64Å; M303-F357 HydrophobicContact SD-CZ 3.69Å
304	D	30.6	Very low	36.9	Very low	75 Å²	75	55.9 Å²	55.9	40%	0.401	34%	0.338	S	S	.	.			trans	-65.2	98.9	158.9	-84.2	-28.6	0	0	0	107.7	G286 L295	G286-D304 VanDerWaalsContact CA-OD1 3.27Å; G286-D304 WeakPolarHBondContact CA-OD1 3.46Å; L295-D304 HydrophobicContact CD2-CB 4.39Å; L295-D304 WeakPolarHBondContact CD2-OD2 3.21Å
305	F	35.9	Very low	37.8	Very low	35 Å²	35	51.5 Å²	51.5	15%	0.154	31%	0.312	C	S	.	.			trans	-111	128	164.9	-70.1	-63.7	0	0	0	107.5	V42 L44 F59 F63 M303 L307	V42-F305 HydrophobicContact CG1-CB 4.45Å; L44-F305 HydrophobicContact CD2-CD1 3.49Å; L44-F305 VanDerWaalsContact CD2-CD1 3.49Å; L44-F305 HydrophobicContact CD2-CE1 3.53Å; F59-F305 HydrophobicContact CD2-CE1 4.31Å; F59-F305 AromaticContact CD2-CZ 3.79Å; F59-F305 HydrophobicContact CD2-CZ 3.79Å; F59-F305 AromaticContact CE2-CZ 3.9Å; F59-F305 HydrophobicContact CE2-CZ 3.9Å; F59-F305 HydrophobicContact CG-CZ 4.13Å; F59-F305 HydrophobicContact CZ-CZ 4.42Å; F63-F305 HydrophobicContact CE1-CD2 4.19Å; F63-F305 HydrophobicContact CE1-CE2 4.22Å; F63-F305 HydrophobicContact CE1-CG 4.33Å; F63-F305 HydrophobicContact CE1-CZ 4.44Å; F63-F305 AromaticContact CZ-CD1 3.99Å; F63-F305 HydrophobicContact CZ-CD1 3.99Å; F63-F305 HydrophobicContact CZ-CD2 4.38Å; F63-F305 AromaticContact CZ-CE1 3.91Å; F63-F305 HydrophobicContact CZ-CE1 3.91Å; F63-F305 HydrophobicContact CZ-CE2 4.28Å; F63-F305 HydrophobicContact CZ-CG 4.23Å; F63-F305 HydrophobicContact CZ-CZ 4.05Å; M303-F305 VanDerWaalsContact C-N 3.33Å; M303-F305 HydrophobicContact CB-CD2 3.62Å; M303-F305 HydrophobicContact CB-CE1 4.42Å; M303-F305 HydrophobicContact CB-CE2 3.38Å; M303-F305 HydrophobicContact CB-CG 4.28Å; M303-F305 HydrophobicContact CB-CZ 3.82Å; M303-F305 HydrophobicContact CE-CE2 3.51Å; M303-F305 HydrophobicContact CE-CZ 3.52Å; M303-F305 HydrophobicContact CG-CE2 4.16Å; M303-F305 HydrophobicContact CG-CZ 4.23Å; M303-F305 PolarHBondContact O-N 3.3Å; M303-F305 HydrophobicContact SD-CE1 4.23Å; M303-F305 HydrophobicContact SD-CE2 3.82Å; M303-F305 HydrophobicContact SD-CZ 3.42Å; M303-F305 WeakPolarHBondContact SD-CZ 3.31Å; F305-L307 PolarHBondContact O-N 3.2Å
306	H	38.8	Very low	38.3	Very low	60 Å²	60	53 Å²	53	28%	0.278	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-73.6	98.1	168.3	-70.1	-76	0	0	0	107.9	H43 S308	H43-H306 WeakPolarHBondContact CA-O 3.46Å; H43-H306 HydrophobicContact CB-CB 3.95Å; H43-H306 WeakPolarHBondContact CB-O 3.27Å; H43-H306 PolarHBondContact N-O 3.3Å; H43-H306 PolarHBondContact O-N 3.14Å; H306-S308 PolarHBondContact O-N 3.36Å
307	L	33.3	Very low	39.1	Very low	37 Å²	37	52.8 Å²	52.8	19%	0.194	31%	0.313	C	S	.	.			trans	-75.9	75.3	165.8	-157.5	83.8	0	0	0	108.9	V42 I66 S282 F284 F305 I309	V42-L307 HydrophobicContact CB-CD1 4.29Å; V42-L307 HydrophobicContact CG1-CD1 4.14Å; V42-L307 HydrophobicContact CG2-CD1 3.55Å; I66-L307 HydrophobicContact CD1-CD1 4.09Å; S282-L307 CarbonylContact O-C 3.42Å; S282-L307 PolarHBondContact OG-O 3.05Å; F284-L307 HydrophobicContact CB-CB 3.41Å; F284-L307 VanDerWaalsContact CB-CB 3.41Å; F284-L307 HydrophobicContact CG-CB 4.29Å; F305-L307 PolarHBondContact O-N 3.2Å; L307-I309 HydrophobicContact CD2-CD1 4.24Å; L307-I309 HydrophobicContact CD2-CG1 4.14Å; L307-I309 HydrophobicContact CG-CG1 4.31Å; L307-I309 PolarHBondContact O-N 3.28Å; L307-I309 VanDerWaalsContact O-N 3.13Å
308	S	41.4	Very low	39.6	Very low	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.306	C	S	.	.			trans	-72.9	101.2	170.3	-64	0	0	0	0	108.8	I41 S281 S282 H306 Y310	I41-S308 CarbonylContact C-O 3.59Å; I41-S308 CarbonylContact O-C 3.52Å; S281-S308 WeakPolarHBondContact OG-CB 3.33Å; S281-S308 PolarHBondContact OG-OG 3.45Å; S282-S308 VanDerWaalsContact O-CA 3.29Å; S282-S308 WeakPolarHBondContact O-CA 3.42Å; H306-S308 PolarHBondContact O-N 3.36Å; S308-Y310 VanDerWaalsContact C-N 3.26Å; S308-Y310 WeakPolarHBondContact O-CD2 3.35Å; S308-Y310 PolarHBondContact O-N 3.45Å
309	I	46.3	Very low	39.9	Very low	13 Å²	13	50.8 Å²	50.8	7%	0.067	30%	0.297	C	S	.	.			trans	-80.1	85.1	177.4	-37.8	-179.3	0	0	0	109.9	R40 G280 L307 Y311	R40-I309 HydrophobicContact CB-CG2 3.93Å; R40-I309 HydrophobicContact CG-CG2 3.75Å; G280-I309 CarbonylContact C-O 3.5Å; G280-I309 CarbonylContact O-C 3.47Å; L307-I309 HydrophobicContact CD2-CD1 4.24Å; L307-I309 HydrophobicContact CD2-CG1 4.14Å; L307-I309 HydrophobicContact CG-CG1 4.31Å; L307-I309 PolarHBondContact O-N 3.28Å; L307-I309 VanDerWaalsContact O-N 3.13Å; I309-Y311 HydrophobicContact CB-CE1 3.65Å; I309-Y311 HydrophobicContact CB-CE2 4.43Å; I309-Y311 WeakPolarHBondContact CB-OH 3.4Å; I309-Y311 HydrophobicContact CG2-CD1 4.13Å; I309-Y311 HydrophobicContact CG2-CE1 3.17Å; I309-Y311 WeakPolarHBondContact CG2-OH 3.46Å; I309-Y311 WeakPolarHBondContact O-CD1 3.47Å; I309-Y311 WeakPolarHBondContact O-CD2 3.47Å; I309-Y311 VanDerWaalsContact O-CE1 3.27Å; I309-Y311 WeakPolarHBondContact O-CE1 3.38Å; I309-Y311 WeakPolarHBondContact O-CE2 3.28Å; I309-Y311 PolarHBondContact O-N 2.97Å; I309-Y311 VanDerWaalsContact O-N 3.12Å
310	Y	48.1	Very low	40.2	Very low	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.			trans	-56.6	104.4	175.5	-88.9	-91.8	0	0	0	112.3	R39 I41 L72 L225 W227 V251 W279 G280 S308	R39-Y310 CarbonylContact C-O 3.6Å; R39-Y310 WeakPolarHBondContact CB-O 3.4Å; I41-Y310 HydrophobicContact CB-CD2 3.69Å; I41-Y310 HydrophobicContact CB-CG 4.04Å; I41-Y310 VanDerWaalsContact CG1-CB 3.47Å; I41-Y310 HydrophobicContact CG1-CD2 4.27Å; I41-Y310 HydrophobicContact CG1-CG 4.1Å; I41-Y310 HydrophobicContact CG2-CD2 4Å; L72-Y310 HydrophobicContact CB-CE2 4.35Å; L72-Y310 HydrophobicContact CD2-CE2 3.81Å; L72-Y310 WeakPolarHBondContact CD2-OH 3.28Å; L225-Y310 HydrophobicContact CD1-CD1 4.16Å; L225-Y310 HydrophobicContact CD1-CE1 3.97Å; W227-Y310 WeakPolarHBondContact CH2-OH 3.32Å; V251-Y310 HydrophobicContact CB-CE1 4.17Å; V251-Y310 HydrophobicContact CG1-CD1 4Å; V251-Y310 HydrophobicContact CG1-CE1 3.42Å; V251-Y310 VanDerWaalsContact CG1-CE1 3.42Å; V251-Y310 HydrophobicContact CG2-CD1 4.31Å; V251-Y310 HydrophobicContact CG2-CE1 3.65Å; W279-Y310 HydrophobicContact CB-CD1 4.13Å; W279-Y310 HydrophobicContact CD2-CD1 4.09Å; W279-Y310 AromaticContact CE3-CD1 3.59Å; W279-Y310 HydrophobicContact CE3-CD1 3.59Å; W279-Y310 AromaticContact CE3-CG 3.96Å; W279-Y310 HydrophobicContact CE3-CG 3.96Å; W279-Y310 HydrophobicContact CG-CD1 4.36Å; W279-Y310 HydrophobicContact CZ3-CD1 4.2Å; W279-Y310 HydrophobicContact CZ3-CG 4.36Å; G280-Y310 WeakPolarHBondContact O-CA 3.14Å; G280-Y310 PolarHBondContact O-N 3.44Å; S308-Y310 VanDerWaalsContact C-N 3.26Å; S308-Y310 WeakPolarHBondContact O-CD2 3.35Å; S308-Y310 PolarHBondContact O-N 3.45Å
311	Y	49.2	Very low	40.7	Very low	8 Å²	8	50.7 Å²	50.7	3%	0.031	27%	0.274	C	S	.	.			trans	-101.5	90.3	177.2	-56.4	-39.2	0	0	0	115.1	P37 W279 I309 Y313 S329 F330	P37-Y311 HydrophobicContact CB-CD1 3.17Å; P37-Y311 HydrophobicContact CB-CE1 3.05Å; P37-Y311 HydrophobicContact CB-CG 4.37Å; P37-Y311 HydrophobicContact CG-CD1 3.54Å; P37-Y311 HydrophobicContact CG-CE1 2.89Å; W279-Y311 VanDerWaalsContact CA-O 3.22Å; W279-Y311 WeakPolarHBondContact CA-O 3.42Å; I309-Y311 HydrophobicContact CB-CE1 3.65Å; I309-Y311 HydrophobicContact CB-CE2 4.43Å; I309-Y311 WeakPolarHBondContact CB-OH 3.4Å; I309-Y311 HydrophobicContact CG2-CD1 4.13Å; I309-Y311 HydrophobicContact CG2-CE1 3.17Å; I309-Y311 WeakPolarHBondContact CG2-OH 3.46Å; I309-Y311 WeakPolarHBondContact O-CD1 3.47Å; I309-Y311 WeakPolarHBondContact O-CD2 3.47Å; I309-Y311 VanDerWaalsContact O-CE1 3.27Å; I309-Y311 WeakPolarHBondContact O-CE1 3.38Å; I309-Y311 WeakPolarHBondContact O-CE2 3.28Å; I309-Y311 PolarHBondContact O-N 2.97Å; I309-Y311 VanDerWaalsContact O-N 3.12Å; Y311-Y313 AromaticContact CD2-CE2 3.76Å; Y311-Y313 HydrophobicContact CD2-CE2 3.76Å; Y311-Y313 AromaticContact CD2-CZ 3.96Å; Y311-Y313 WeakPolarHBondContact CD2-OH 3.27Å; Y311-Y313 AromaticContact CG-CE2 3.69Å; Y311-Y313 HydrophobicContact CG-CE2 3.69Å; Y311-Y313 AromaticContact CG-CZ 3.79Å; Y311-Y313 VanDerWaalsContact O-CD2 3.23Å; Y311-Y313 WeakPolarHBondContact O-CD2 3.4Å; Y311-Y313 PolarHBondContact O-N 3.49Å; Y311-S329 PolarHBondContact OH-O 3.13Å; Y311-F330 HydrophobicContact CD2-CD1 4.4Å; Y311-F330 HydrophobicContact CD2-CD2 4.39Å; Y311-F330 HydrophobicContact CD2-CE1 4.27Å; Y311-F330 HydrophobicContact CD2-CE2 4.19Å; Y311-F330 HydrophobicContact CD2-CG 4.48Å; Y311-F330 HydrophobicContact CD2-CZ 4.12Å; Y311-F330 HydrophobicContact CE2-CD1 4.19Å; Y311-F330 HydrophobicContact CE2-CD2 4.31Å; Y311-F330 HydrophobicContact CE2-CG 4.1Å
312	G	38.7	Very low	41.4	Very low	42 Å²	42	52.2 Å²	52.2	43%	0.433	27%	0.265	S	S	.	.			trans	-62.4	99.6	166.7	0	0	0	0	0	111.1	W279	W279-G312 VanDerWaalsContact CE3-N 3.32Å
313	Y	43.1	Very low	42.1	Very low	7 Å²	7	56.9 Å²	56.9	3%	0.027	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.2	170.9	-65.2	-73.2	0	0	0	109.4	F35 Y277 M278 Y311 L318 L321 F330	F35-Y313 HydrophobicContact CE1-CE1 4Å; F35-Y313 WeakPolarHBondContact CE1-OH 3.19Å; F35-Y313 AromaticContact CZ-CE1 3.76Å; F35-Y313 HydrophobicContact CZ-CE1 3.76Å; Y277-Y313 WeakPolarHBondContact CA-O 3.15Å; Y277-Y313 WeakPolarHBondContact CD1-O 3.4Å; M278-Y313 PolarHBondContact N-O 3.17Å; M278-Y313 PolarHBondContact O-N 3.26Å; Y311-Y313 AromaticContact CD2-CE2 3.76Å; Y311-Y313 HydrophobicContact CD2-CE2 3.76Å; Y311-Y313 AromaticContact CD2-CZ 3.96Å; Y311-Y313 WeakPolarHBondContact CD2-OH 3.27Å; Y311-Y313 AromaticContact CG-CE2 3.69Å; Y311-Y313 HydrophobicContact CG-CE2 3.69Å; Y311-Y313 AromaticContact CG-CZ 3.79Å; Y311-Y313 VanDerWaalsContact O-CD2 3.23Å; Y311-Y313 WeakPolarHBondContact O-CD2 3.4Å; Y311-Y313 PolarHBondContact O-N 3.49Å; Y313-L318 HydrophobicContact CD1-CD2 4.38Å; Y313-L318 HydrophobicContact CD1-CG 4.22Å; Y313-L318 HydrophobicContact CD2-CD1 3.97Å; Y313-L318 HydrophobicContact CD2-CD2 3.51Å; Y313-L318 HydrophobicContact CD2-CG 3.71Å; Y313-L318 HydrophobicContact CE2-CD2 3.78Å; Y313-L318 HydrophobicContact CE2-CG 4.44Å; Y313-L318 HydrophobicContact CG-CD1 4.02Å; Y313-L318 HydrophobicContact CG-CD2 3.84Å; Y313-L318 HydrophobicContact CG-CG 3.57Å; Y313-L321 HydrophobicContact CD1-CD1 3.88Å; Y313-L321 HydrophobicContact CE1-CD1 3.32Å; Y313-F330 HydrophobicContact CE2-CE2 4.43Å
314	S	46.9	Very low	42.7	Very low	44 Å²	44	62.5 Å²	62.5	31%	0.308	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.4	151.4	173.3	0	0	0	0	107.4	P276 N316 H317 L318	P276-S314 CarbonylContact O-C 3.49Å; P276-S314 VanDerWaalsContact O-CA 3.27Å; P276-S314 WeakPolarHBondContact O-CA 3.45Å; S314-N316 PolarHBondContact O-N 3.48Å; S314-N316 VanDerWaalsContact O-N 3.15Å; S314-H317 WeakPolarHBondContact O-CA 3.49Å; S314-H317 VanDerWaalsContact O-CB 3.31Å; S314-H317 WeakPolarHBondContact O-CB 3.3Å; S314-H317 PolarHBondContact O-N 3.26Å; S314-L318 PolarHBondContact O-N 3.24Å
315	T	49.1	Very low	43.4	Very low	8 Å²	8	62.7 Å²	62.7	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-28.3	179.6	48.1	0	0	0	0	112.5	A272 V275 P276 H317 L318 F319	A272-T315 HydrophobicContact CB-CG2 4.32Å; V275-T315 HydrophobicContact CG2-CG2 4.5Å; V275-T315 WeakPolarHBondContact O-CG2 3.09Å; V275-T315 PolarHBondContact O-OG1 2.74Å; V275-T315 VanDerWaalsContact O-OG1 3.07Å; P276-T315 PolarHBondContact O-N 3.17Å; P276-T315 PolarHBondContact O-OG1 3.38Å; T315-H317 VanDerWaalsContact C-N 3.3Å; T315-H317 PolarHBondContact O-N 3.06Å; T315-L318 PolarHBondContact O-N 2.77Å; T315-F319 WeakPolarHBondContact O-CD2 3.38Å
316	N	41.4	Very low	43.9	Very low	121 Å²	121	61.8 Å²	61.8	65%	0.647	29%	0.294	S	S	*	.	H	α-helix	trans	-65.6	-27.8	169.2	-70.2	-35.8	0	0	0	114.1	S314	S314-N316 PolarHBondContact O-N 3.48Å; S314-N316 VanDerWaalsContact O-N 3.15Å
317	H	48.7	Very low	44.3	Very low	86 Å²	86	63.7 Å²	63.7	40%	0.398	30%	0.299	S	S	.	.	H	α-helix	trans	-81.4	-34.1	177.9	-158.9	67.3	0	0	0	112.2	S314 T315 F319 R320 L321	S314-H317 WeakPolarHBondContact O-CA 3.49Å; S314-H317 VanDerWaalsContact O-CB 3.31Å; S314-H317 WeakPolarHBondContact O-CB 3.3Å; S314-H317 PolarHBondContact O-N 3.26Å; T315-H317 VanDerWaalsContact C-N 3.3Å; T315-H317 PolarHBondContact O-N 3.06Å; H317-F319 PolarHBondContact O-N 3.12Å; H317-R320 PolarHBondContact O-N 3.27Å; H317-L321 PolarHBondContact O-N 2.78Å
318	L	45.7	Very low	45	Very low	12 Å²	12	69.7 Å²	69.7	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-55.5	-40.3	171.7	-85.4	155.9	0	0	0	111.5	W268 M278 Y313 S314 T315 R320 I326	W268-L318 HydrophobicContact CE3-CD1 4.38Å; W268-L318 HydrophobicContact CE3-CD2 3.97Å; W268-L318 HydrophobicContact CZ3-CD1 4.49Å; W268-L318 HydrophobicContact CZ3-CD2 3.85Å; M278-L318 HydrophobicContact CB-CD1 4.29Å; M278-L318 HydrophobicContact CE-CD1 3.67Å; Y313-L318 HydrophobicContact CD1-CD2 4.38Å; Y313-L318 HydrophobicContact CD1-CG 4.22Å; Y313-L318 HydrophobicContact CD2-CD1 3.97Å; Y313-L318 HydrophobicContact CD2-CD2 3.51Å; Y313-L318 HydrophobicContact CD2-CG 3.71Å; Y313-L318 HydrophobicContact CE2-CD2 3.78Å; Y313-L318 HydrophobicContact CE2-CG 4.44Å; Y313-L318 HydrophobicContact CG-CD1 4.02Å; Y313-L318 HydrophobicContact CG-CD2 3.84Å; Y313-L318 HydrophobicContact CG-CG 3.57Å; S314-L318 PolarHBondContact O-N 3.24Å; T315-L318 PolarHBondContact O-N 2.77Å; L318-R320 VanDerWaalsContact C-N 3.35Å; L318-R320 PolarHBondContact O-N 3.15Å; L318-I326 HydrophobicContact CD2-CD1 3.98Å; L318-I326 HydrophobicContact CD2-CG1 4.42Å; L318-I326 HydrophobicContact CD2-CG2 4.42Å; L318-I326 WeakPolarHBondContact O-CD1 3.4Å
319	F	39.5	Very low	45.3	Very low	117 Å²	117	69.9 Å²	69.9	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-68.2	-28.2	175.6	-80.6	-72.1	0	0	0	114.9	E269 A272 T315 H317	E269-F319 HydrophobicContact CG-CE1 4.2Å; E269-F319 HydrophobicContact CG-CZ 4.13Å; A272-F319 HydrophobicContact CB-CD2 4.34Å; A272-F319 HydrophobicContact CB-CE2 3.39Å; A272-F319 HydrophobicContact CB-CZ 4.02Å; T315-F319 WeakPolarHBondContact O-CD2 3.38Å; H317-F319 PolarHBondContact O-N 3.12Å
320	R	39.4	Very low	45.2	Very low	215 Å²	215	69.6 Å²	69.6	81%	0.811	32%	0.318	S	S	*	.	H	α-helix	trans	-84.7	-25.5	-179.2	-73.2	-172.7	179.4	-172.5	0.8	112.9	H317 L318 N322	H317-R320 PolarHBondContact O-N 3.27Å; L318-R320 VanDerWaalsContact C-N 3.35Å; L318-R320 PolarHBondContact O-N 3.15Å; R320-N322 PolarHBondContact O-N 3.4Å
321	L	43.3	Very low	45	Very low	13 Å²	13	73.7 Å²	73.7	7%	0.068	34%	0.337	C	S	.	.	S	Bend	trans	-68.6	120.2	167.7	-68.5	167.5	0	0	0	107.3	F35 Y313 H317 R323 Q325 I326	F35-L321 HydrophobicContact CD2-CD2 4.2Å; F35-L321 HydrophobicContact CE2-CD2 4.48Å; Y313-L321 HydrophobicContact CD1-CD1 3.88Å; Y313-L321 HydrophobicContact CE1-CD1 3.32Å; H317-L321 PolarHBondContact O-N 2.78Å; L321-R323 PolarHBondContact O-N 2.72Å; L321-Q325 HydrophobicContact CB-CB 4.31Å; L321-Q325 HydrophobicContact CD2-CB 4.2Å; L321-I326 HydrophobicContact CB-CD1 4.18Å; L321-I326 HydrophobicContact CB-CG1 3.58Å; L321-I326 HydrophobicContact CD1-CG1 4.32Å
322	N	43.6	Very low	44.7	Very low	102 Å²	102	75.6 Å²	75.6	55%	0.545	35%	0.352	S	S	.	.			trans	-52.6	139.3	173.1	-170.7	-29.4	0	0	0	107.7	R320 K324 Q325 I326	R320-N322 PolarHBondContact O-N 3.4Å; N322-K324 CarbonylContact O-C 3.5Å; N322-K324 PolarHBondContact O-N 2.97Å; N322-Q325 WeakPolarHBondContact O-CA 3.17Å; N322-Q325 WeakPolarHBondContact O-CB 3.47Å; N322-Q325 PolarHBondContact O-N 2.78Å; N322-I326 PolarHBondContact O-N 3.33Å
323	R	47.4	Very low	44.7	Very low	166 Å²	166	77.8 Å²	77.8	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-45.9	-34.8	179.9	-71.3	-175.4	178.8	179	-2.6	112.1	E269 L321 I326 R327	E269-R323 IonicContact OE1-NH2 3.45Å; L321-R323 PolarHBondContact O-N 2.72Å; R323-I326 PolarHBondContact O-N 3.39Å; R323-R327 WeakPolarHBondContact O-CB 3.36Å; R323-R327 PolarHBondContact O-N 3.41Å
324	K	45.2	Very low	44.2	Very low	152 Å²	152	83.4 Å²	83.4	66%	0.661	39%	0.394	S	S	*	.	H	α-helix	trans	-61.1	-38.4	172.3	-67.2	-174.3	178.2	-178.9	0	115.1	N322 R328	N322-K324 CarbonylContact O-C 3.5Å; N322-K324 PolarHBondContact O-N 2.97Å; K324-R328 WeakPolarHBondContact O-CG 3.48Å; K324-R328 PolarHBondContact O-N 3.26Å
325	Q	46.7	Very low	43.3	Very low	78 Å²	78	86.7 Å²	86.7	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-71.7	-41.2	176.3	-80.1	177.5	-25.9	0	0	111.9	L321 N322 R328 S329	L321-Q325 HydrophobicContact CB-CB 4.31Å; L321-Q325 HydrophobicContact CD2-CB 4.2Å; N322-Q325 WeakPolarHBondContact O-CA 3.17Å; N322-Q325 WeakPolarHBondContact O-CB 3.47Å; N322-Q325 PolarHBondContact O-N 2.78Å; Q325-R328 PolarHBondContact O-N 2.96Å; Q325-S329 PolarHBondContact O-N 2.94Å; Q325-S329 PolarHBondContact O-OG 3.31Å
326	I	46.7	Very low	42.3	Very low	17 Å²	17	92.1 Å²	92.1	9%	0.087	45%	0.448	C	S	.	.	H	α-helix	trans	-59.1	-51.4	173.5	-58.7	174.8	0	0	0	108.8	W268 L318 L321 N322 R323 R328 S329 F330	W268-I326 HydrophobicContact CH2-CG2 4.4Å; W268-I326 HydrophobicContact CZ2-CG2 4.43Å; L318-I326 HydrophobicContact CD2-CD1 3.98Å; L318-I326 HydrophobicContact CD2-CG1 4.42Å; L318-I326 HydrophobicContact CD2-CG2 4.42Å; L318-I326 WeakPolarHBondContact O-CD1 3.4Å; L321-I326 HydrophobicContact CB-CD1 4.18Å; L321-I326 HydrophobicContact CB-CG1 3.58Å; L321-I326 HydrophobicContact CD1-CG1 4.32Å; N322-I326 PolarHBondContact O-N 3.33Å; R323-I326 PolarHBondContact O-N 3.39Å; I326-R328 VanDerWaalsContact C-N 3.33Å; I326-R328 PolarHBondContact O-N 2.89Å; I326-S329 WeakPolarHBondContact O-CA 3.42Å; I326-S329 VanDerWaalsContact O-CB 3.31Å; I326-S329 WeakPolarHBondContact O-CB 3.28Å; I326-S329 PolarHBondContact O-N 3.46Å; I326-F330 HydrophobicContact CG2-CD2 3.54Å; I326-F330 HydrophobicContact CG2-CE2 3.46Å; I326-F330 VanDerWaalsContact CG2-CE2 3.46Å; I326-F330 VanDerWaalsContact O-CD2 3.31Å; I326-F330 WeakPolarHBondContact O-CD2 3.38Å; I326-F330 PolarHBondContact O-N 2.96Å
327	R	46.7	Very low	41.5	Very low	100 Å²	100	90 Å²	90	38%	0.377	44%	0.441	S	S	.	.	H	α-helix	trans	-50.8	-48.6	174.9	-174.2	177.9	179.5	154.3	9.6	112.8	D258 R323 S329 F330 Q331	D258-R327 IonicContact OD1-CZ 3.54Å; D258-R327 IonicContact OD1-NH2 2.75Å; D258-R327 IonicContact OD2-CZ 2.87Å; D258-R327 IonicContact OD2-NH1 3.88Å; D258-R327 IonicContact OD2-NH2 3.91Å; D258-R327 PolarHBondContact OD2-NH2 3.42Å; R323-R327 WeakPolarHBondContact O-CB 3.36Å; R323-R327 PolarHBondContact O-N 3.41Å; R327-S329 VanDerWaalsContact C-N 3.32Å; R327-S329 PolarHBondContact O-N 2.93Å; R327-F330 PolarHBondContact O-N 2.85Å; R327-Q331 WeakPolarHBondContact O-CB 3.17Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.39Å; R327-Q331 PolarHBondContact O-N 3.05Å
328	R	47.9	Very low	40.5	Very low	162 Å²	162	93.2 Å²	93.2	61%	0.611	46%	0.46	S	S	*	.	H	α-helix	trans	-66.1	-31	177.6	-76.9	178.7	179	-170.4	-1.1	113.9	K324 Q325 I326	K324-R328 WeakPolarHBondContact O-CG 3.48Å; K324-R328 PolarHBondContact O-N 3.26Å; Q325-R328 PolarHBondContact O-N 2.96Å; I326-R328 VanDerWaalsContact C-N 3.33Å; I326-R328 PolarHBondContact O-N 2.89Å
329	S	47.9	Very low	39.8	Very low	4 Å²	4	97.7 Å²	97.7	3%	0.028	49%	0.493	C	S	.	.	H	α-helix	trans	-66.4	-57.1	176.9	-49.8	0	0	0	0	108.4	F35 Y311 Q325 I326 R327 Q331 S332	F35-S329 WeakPolarHBondContact CD1-OG 3.28Å; Y311-S329 PolarHBondContact OH-O 3.13Å; Q325-S329 PolarHBondContact O-N 2.94Å; Q325-S329 PolarHBondContact O-OG 3.31Å; I326-S329 WeakPolarHBondContact O-CA 3.42Å; I326-S329 VanDerWaalsContact O-CB 3.31Å; I326-S329 WeakPolarHBondContact O-CB 3.28Å; I326-S329 PolarHBondContact O-N 3.46Å; R327-S329 VanDerWaalsContact C-N 3.32Å; R327-S329 PolarHBondContact O-N 2.93Å; S329-Q331 PolarHBondContact O-N 3.49Å; S329-S332 PolarHBondContact O-N 3.45Å; S329-S332 VanDerWaalsContact O-N 3.13Å
330	F	43.6	Very low	39.3	Very low	7 Å²	7	97.3 Å²	97.3	3%	0.031	50%	0.5	C	S	.	.	H	α-helix	trans	-60.5	-27.2	179	-80.3	-84.7	0	0	0	114.8	L252 L259 W268 S282 Y311 Y313 I326 R327 S332	L252-F330 HydrophobicContact CD2-CE1 4.37Å; L259-F330 HydrophobicContact CD1-CB 3.39Å; L259-F330 HydrophobicContact CD1-CD1 3.5Å; L259-F330 HydrophobicContact CD1-CD2 3.8Å; L259-F330 HydrophobicContact CD1-CE1 4.12Å; L259-F330 HydrophobicContact CD1-CE2 4.44Å; L259-F330 HydrophobicContact CD1-CG 3.3Å; L259-F330 HydrophobicContact CG-CB 4.42Å; W268-F330 AromaticContact CH2-CE2 3.6Å; W268-F330 HydrophobicContact CH2-CE2 3.6Å; W268-F330 AromaticContact CH2-CZ 3.59Å; W268-F330 HydrophobicContact CH2-CZ 3.59Å; W268-F330 HydrophobicContact CZ2-CE2 4.35Å; W268-F330 HydrophobicContact CZ3-CE2 4.33Å; W268-F330 HydrophobicContact CZ3-CZ 4.28Å; S282-F330 WeakPolarHBondContact CB-O 3.27Å; Y311-F330 HydrophobicContact CD2-CD1 4.4Å; Y311-F330 HydrophobicContact CD2-CD2 4.39Å; Y311-F330 HydrophobicContact CD2-CE1 4.27Å; Y311-F330 HydrophobicContact CD2-CE2 4.19Å; Y311-F330 HydrophobicContact CD2-CG 4.48Å; Y311-F330 HydrophobicContact CD2-CZ 4.12Å; Y311-F330 HydrophobicContact CE2-CD1 4.19Å; Y311-F330 HydrophobicContact CE2-CD2 4.31Å; Y311-F330 HydrophobicContact CE2-CG 4.1Å; Y313-F330 HydrophobicContact CE2-CE2 4.43Å; I326-F330 HydrophobicContact CG2-CD2 3.54Å; I326-F330 HydrophobicContact CG2-CE2 3.46Å; I326-F330 VanDerWaalsContact CG2-CE2 3.46Å; I326-F330 VanDerWaalsContact O-CD2 3.31Å; I326-F330 WeakPolarHBondContact O-CD2 3.38Å; I326-F330 PolarHBondContact O-N 2.96Å; R327-F330 PolarHBondContact O-N 2.85Å; F330-S332 VanDerWaalsContact C-N 3.33Å
331	Q	44.7	Very low	38.9	Very low	86 Å²	86	92.7 Å²	92.7	40%	0.402	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.3	179.4	-73.5	179.4	-21.5	0	0	114.6	E257 R327 S329	E257-Q331 PolarHBondContact O-NE2 3.32Å; R327-Q331 WeakPolarHBondContact O-CB 3.17Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.39Å; R327-Q331 PolarHBondContact O-N 3.05Å; S329-Q331 PolarHBondContact O-N 3.49Å
332	S	43	Very low	38.1	Very low	49 Å²	49	101.1 Å²	101.1	34%	0.343	53%	0.526	S	S	.	.			trans	60	147.2	-169.2	84.4	0	0	0	0	113.9	S329 F330 T334	S329-S332 PolarHBondContact O-N 3.45Å; S329-S332 VanDerWaalsContact O-N 3.13Å; F330-S332 VanDerWaalsContact C-N 3.33Å; S332-T334 PolarHBondContact O-N 3.33Å
333	P	37.7	Very low	37.3	Very low	88 Å²	88	106.9 Å²	106.9	57%	0.571	54%	0.541	S	S	*	.	S	Bend	trans	-74.7	119.3	172.4	22.3	-15	0	0	0	109.4
334	T	33.7	Very low	36.6	Very low	124 Å²	124	106.3 Å²	106.3	76%	0.761	55%	0.55	S	S	*	.			trans	20	112	154.7	51.1	0	0	0	0	116	S332 V336	S332-T334 PolarHBondContact O-N 3.33Å; T334-V336 PolarHBondContact O-N 3.43Å
335	C	28	Very low	35.9	Very low	113 Å²	113	107.5 Å²	107.5	76%	0.764	56%	0.558	S	S	*	*			trans	-32	114.1	159.5	-68.3	0	0	0	0	110.8	P337	C335-P337 WeakPolarHBondContact O-CD 3.34Å
336	V	26.5	Very low	35.2	Very low	123 Å²	123	109.9 Å²	109.9	75%	0.745	58%	0.58	S	S	*	*			trans	-64.6	115.7	156.1	178.8	0	0	0	0	104.6	T334 L338	T334-V336 PolarHBondContact O-N 3.43Å; V336-L338 PolarHBondContact O-N 3.4Å
337	P	24.7	Very low	34.3	Very low	77 Å²	77	120.2 Å²	120.2	50%	0.5	62%	0.618	S	S	.	*			trans	-60	130.1	176.3	-18.2	32.2	0	0	0	107.6	C335 S339 T340	C335-P337 WeakPolarHBondContact O-CD 3.34Å; P337-S339 WeakPolarHBondContact CB-OG 3.39Å; P337-S339 PolarHBondContact O-N 3.05Å; P337-T340 PolarHBondContact O-N 2.7Å; P337-T340 PolarHBondContact O-OG1 2.79Å
338	L	29.1	Very low	33.4	Very low	152 Å²	152	118.3 Å²	118.3	80%	0.796	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-56.1	0.6	170.4	-92.2	150.6	0	0	0	113.5	V336 T340 I341	V336-L338 PolarHBondContact O-N 3.4Å; L338-T340 VanDerWaalsContact C-N 3.29Å; L338-T340 PolarHBondContact O-N 2.94Å; L338-I341 HydrophobicContact CD2-CD1 4.09Å
339	S	29.7	Very low	32.4	Very low	107 Å²	107	117.3 Å²	117.3	75%	0.748	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-72.9	-13.1	173.8	64.1	0	0	0	0	114.3	P337	P337-S339 WeakPolarHBondContact CB-OG 3.39Å; P337-S339 PolarHBondContact O-N 3.05Å
340	T	30.2	Very low	31.5	Very low	109 Å²	109	125.4 Å²	125.4	67%	0.669	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-94.3	-5.8	-179.8	-23.7	0	0	0	0	114.3	P337 L338 K342	P337-T340 PolarHBondContact O-N 2.7Å; P337-T340 PolarHBondContact O-OG1 2.79Å; L338-T340 VanDerWaalsContact C-N 3.29Å; L338-T340 PolarHBondContact O-N 2.94Å; T340-K342 PolarHBondContact O-N 3.01Å
341	I	30	Very low	30.7	Very low	117 Å²	117	133.8 Å²	133.8	60%	0.6	72%	0.72	S	S	*	*	S	Bend	trans	-84	104.4	168.5	-58.2	-178.4	0	0	0	107.3	L338 R343	L338-I341 HydrophobicContact CD2-CD1 4.09Å; I341-R343 PolarHBondContact O-N 2.95Å
342	K	27.1	Very low	30.2	Very low	190 Å²	190	133.8 Å²	133.8	83%	0.826	74%	0.735	S	S	*	*			trans	-49.4	113	174.9	-80.6	-177.7	175.7	178.7	0	109.7	T340 N344	T340-K342 PolarHBondContact O-N 3.01Å; K342-N344 PolarHBondContact O-N 3.12Å
343	R	27.2	Very low	29.9	Very low	224 Å²	224	134.1 Å²	134.1	85%	0.845	74%	0.737	S	S	*	*			trans	-60.2	92	169.2	-72.5	177.2	179.7	173.3	0.1	109.1	I341	I341-R343 PolarHBondContact O-N 2.95Å
344	N	31.9	Very low	30.3	Very low	153 Å²	153	136 Å²	136	82%	0.818	75%	0.748	S	S	*	*			trans	-136.1	30.6	171.3	-103.3	6.1	0	0	0	112	K342	K342-N344 PolarHBondContact O-N 3.12Å
345	E	31.3	Very low	31.4	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	74%	0.737	S	S	*	*	S	Bend	trans	-122.8	143.7	168.2	-73.1	-171.7	168	0	0	110.7
346	P	30.4	Very low	32.3	Very low	127 Å²	127	131.8 Å²	131.8	83%	0.825	71%	0.713	S	S	*	*			trans	-65.4	138.6	-173.7	-5.9	21.5	0	0	0	109.3	G348	P346-G348 PolarHBondContact O-N 3.19Å
347	R	28	Very low	33.7	Very low	234 Å²	234	129 Å²	129	88%	0.883	69%	0.69	S	S	*	*			trans	-61.8	87.1	171.1	-72.8	-178.8	-176.8	177.1	0.9	109.8
348	G	27.7	Very low	35	Very low	61 Å²	61	127.6 Å²	127.6	63%	0.629	68%	0.678	S	S	*	*			trans	-76.3	122.3	159.2	0	0	0	0	0	108.3	P346 L350	P346-G348 PolarHBondContact O-N 3.19Å; G348-L350 PolarHBondContact O-N 3.19Å
349	T	28.3	Very low	35.9	Very low	141 Å²	141	124.2 Å²	124.2	87%	0.865	67%	0.667	S	S	*	*			trans	-59.6	98	169.2	28.7	0	0	0	0	109.5	K351	T349-K351 VanDerWaalsContact C-N 3.25Å; T349-K351 PolarHBondContact O-N 3.05Å
350	L	28.4	Very low	36.3	Very low	173 Å²	173	128.1 Å²	128.1	91%	0.906	67%	0.67	S	S	*	*			trans	-66.6	90.8	160.9	-96.8	144.2	0	0	0	107.1	G348 A352	G348-L350 PolarHBondContact O-N 3.19Å; L350-A352 PolarHBondContact O-N 3.32Å
351	K	27.7	Very low	36.7	Very low	183 Å²	183	127 Å²	127	80%	0.796	67%	0.665	S	S	*	*			trans	-52.4	122.5	153	-84.3	-178.5	174	-179.7	0	105.3	T349 S353	T349-K351 VanDerWaalsContact C-N 3.25Å; T349-K351 PolarHBondContact O-N 3.05Å; K351-S353 PolarHBondContact O-N 3.44Å
352	A	33.1	Very low	36.8	Very low	87 Å²	87	134.7 Å²	134.7	72%	0.719	69%	0.694	S	S	*	*			trans	-58.4	92.8	163.8	0	0	0	0	0	106.3	L350 T354	L350-A352 PolarHBondContact O-N 3.32Å; A352-T354 PolarHBondContact O-N 3.48Å
353	S	36.6	Very low	37.3	Very low	55 Å²	55	132 Å²	132	39%	0.385	69%	0.687	S	S	.	*			trans	-77.1	122.4	-175.5	151.6	0	0	0	0	106.3	K351 D355 L356	K351-S353 PolarHBondContact O-N 3.44Å; S353-D355 PolarHBondContact O-N 2.82Å; S353-D355 WeakPolarHBondContact OG-CA 3.03Å; S353-D355 WeakPolarHBondContact OG-CB 3.42Å; S353-D355 PolarHBondContact OG-N 2.78Å; S353-D355 PolarHBondContact OG-OD2 2.93Å; S353-L356 PolarHBondContact O-N 3.09Å
354	T	46	Very low	37.8	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-5.1	166.6	42.1	0	0	0	0	113	A352	A352-T354 PolarHBondContact O-N 3.48Å
355	D	56.5	Low	38.1	Very low	99 Å²	99	125.7 Å²	125.7	53%	0.529	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.3	-177.9	-50.5	-50.3	0	0	0	114.1	K52 S353	K52-D355 VanDerWaalsContact CD-O 3.25Å; K52-D355 WeakPolarHBondContact CD-O 3.34Å; K52-D355 WeakPolarHBondContact CE-O 3.27Å; K52-D355 PolarHBondContact NZ-O 2.83Å; S353-D355 PolarHBondContact O-N 2.82Å; S353-D355 WeakPolarHBondContact OG-CA 3.03Å; S353-D355 WeakPolarHBondContact OG-CB 3.42Å; S353-D355 PolarHBondContact OG-N 2.78Å; S353-D355 PolarHBondContact OG-OD2 2.93Å
356	L	47.6	Very low	38.5	Very low	49 Å²	49	122.6 Å²	122.6	26%	0.257	66%	0.662	S	S	.	*	S	Bend	trans	-72	-33.4	-177.2	-170.4	68.7	0	0	0	112.8	K52 H55 F59 M303 S353	K52-L356 PolarHBondContact N-O 3.34Å; K52-L356 VanDerWaalsContact N-O 3.13Å; H55-L356 HydrophobicContact CB-CD1 4.28Å; H55-L356 PolarHBondContact CD2-O 3.1Å; F59-L356 HydrophobicContact CE1-CD1 4.44Å; F59-L356 HydrophobicContact CZ-CD1 4.08Å; F59-L356 HydrophobicContact CZ-CD2 4.31Å; F59-L356 HydrophobicContact CZ-CG 4.32Å; M303-L356 HydrophobicContact CE-CD2 4Å; M303-L356 HydrophobicContact SD-CD2 4.01Å; S353-L356 PolarHBondContact O-N 3.09Å
357	F	56.3	Low	39	Very low	64 Å²	64	122.3 Å²	122.3	28%	0.281	65%	0.652	S	S	.	*	B	Isolated β-bridge	trans	-106.9	156.5	-175.3	-56.3	-73.9	0	0	0	111	A49 A50 K52 M303	A49-F357 HydrophobicContact CB-CD1 4Å; A49-F357 HydrophobicContact CB-CE1 4.15Å; A49-F357 WeakPolarHBondContact O-CD1 3.49Å; A50-F357 WeakPolarHBondContact O-CA 3.03Å; K52-F357 VanDerWaalsContact CE-O 3.31Å; K52-F357 WeakPolarHBondContact CE-O 3.32Å; M303-F357 HydrophobicContact CG-CE1 3.91Å; M303-F357 HydrophobicContact CG-CZ 3.5Å; M303-F357 VanDerWaalsContact CG-CZ 3.5Å; M303-F357 HydrophobicContact SD-CE1 3.64Å; M303-F357 HydrophobicContact SD-CZ 3.69Å
358	M	51.7	Low	39.7	Very low	47 Å²	47	114.9 Å²	114.9	23%	0.232	64%	0.636	C	S	.	*	P	Polyproline II helix	trans	-58.3	152.2	160.8	-68.2	-61.8	-174.5	0	0	109.7	A50 K52 P53 M78 D92 Y94	A50-M358 HydrophobicContact CB-CB 4.47Å; A50-M358 HydrophobicContact CB-CG 4.34Å; A50-M358 PolarHBondContact O-N 3.09Å; K52-M358 HydrophobicContact CB-CE 4.43Å; K52-M358 HydrophobicContact CG-CE 4.26Å; K52-M358 HydrophobicContact CG-SD 4.04Å; P53-M358 VanDerWaalsContact CD-CE 3.47Å; P53-M358 HydrophobicContact CG-CE 4.34Å; M78-M358 HydrophobicContact CE-CG 4.39Å; D92-M358 HydrophobicContact CB-CB 3.8Å; D92-M358 HydrophobicContact CB-CG 4.04Å; D92-M358 HydrophobicContact CB-SD 4.16Å; Y94-M358 HydrophobicContact CE1-CE 4.47Å
359	S	47.3	Very low	40.6	Very low	81 Å²	81	118.7 Å²	118.7	57%	0.566	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-55.8	145.5	176.2	23.9	0	0	0	0	110.2	D92	D92-S359 WeakPolarHBondContact OD2-CB 3.47Å; D92-S359 PolarHBondContact OD2-N 3.3Å; D92-S359 PolarHBondContact OD2-OG 2.92Å
360	K	39.7	Very low	41.6	Very low	190 Å²	190	117 Å²	117	83%	0.826	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-60.7	136.1	168.6	-74.2	-169.1	175.7	-171.3	0	108.3	K362	K360-K362 PolarHBondContact O-N 2.78Å
361	P	38.2	Very low	42.6	Very low	84 Å²	84	112.3 Å²	112.3	55%	0.545	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-57.4	138.5	173.6	21.9	-29.7	0	0	0	109.5
362	K	31.2	Very low	44	Very low	280 Å²	280	105.9 Å²	105.9	100%	1.217	58%	0.577	S	S	*	*			trans	-68.2	0	173.9	-83.7	-172.9	177.6	178.9	0	112	K360	K360-K362 PolarHBondContact O-N 2.78Å

Retrieved 362 of 362 residues in 706.7 ms (Link to these results)

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