A0A096MNU5_PAPAN Loading...

Creatine kinase S-type, mitochondrial

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.

AlphaFold DB , UniProt , Accession A0A096MNU5, Species PAPAN (Papio anubis, Olive baboon), Gene CKMT2, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.8	Very low	30	Very low	239 Å²	239	155 Å²	155	100%	1.177	88%	0.882	S	S	*	*				0	123.6	0	-77.5	-143.8	-76.8	0	0	108.4
2	A	27.3	Very low	30.2	Very low	108 Å²	108	159.7 Å²	159.7	89%	0.893	88%	0.875	S	S	*	*			trans	47.3	135.3	163.2	0	0	0	0	0	118.7
3	S	28.8	Very low	30.2	Very low	112 Å²	112	160.5 Å²	160.5	78%	0.783	88%	0.878	S	S	*	*			cis	-166.8	126.4	1.9	171.5	0	0	0	0	105
4	I	34.9	Very low	30.3	Very low	163 Å²	163	155.4 Å²	155.4	84%	0.836	87%	0.868	S	S	*	*			trans	-106.2	112.7	171.7	-67	168.4	0	0	0	105
5	F	28.4	Very low	30.3	Very low	203 Å²	203	153.3 Å²	153.3	89%	0.89	87%	0.868	S	S	*	*			trans	-168.5	89.6	154.4	-115.3	-79.6	0	0	0	109.9
6	S	31.2	Very low	30.3	Very low	115 Å²	115	153.4 Å²	153.4	80%	0.804	86%	0.864	S	S	*	*			trans	-159.1	101.8	159	-94.9	0	0	0	0	109
7	K	29.8	Very low	30.3	Very low	201 Å²	201	151.9 Å²	151.9	87%	0.874	85%	0.853	S	S	*	*			trans	158	106.1	143.8	-90.4	169.5	-178.5	-177.6	0	108.9
8	L	28.1	Very low	30.2	Very low	167 Å²	167	155.4 Å²	155.4	87%	0.874	86%	0.858	S	S	*	*			trans	164.2	77	138.3	-95.8	145.4	0	0	0	109.7
9	L	29.7	Very low	30.2	Very low	179 Å²	179	151.2 Å²	151.2	94%	0.937	85%	0.846	S	S	*	*			trans	-145.6	74.8	158.4	-80.4	178.6	0	0	0	108.6
10	T	31.4	Very low	30.2	Very low	147 Å²	147	150.6 Å²	150.6	90%	0.902	85%	0.846	S	S	*	*			trans	-138.4	106.8	158.2	39.5	0	0	0	0	108.6
11	G	30.7	Very low	30.5	Very low	71 Å²	71	152.9 Å²	152.9	73%	0.732	85%	0.852	S	S	*	*			trans	134.1	77.2	168.7	0	0	0	0	0	113.6
12	R	31.8	Very low	30.4	Very low	211 Å²	211	144.5 Å²	144.5	80%	0.796	83%	0.827	S	S	*	*			trans	-176.7	126	143.6	-99.4	155.5	-177.2	-160.9	0.9	109	A14	R12-A14 PolarHBondContact O-N 2.73Å
13	N	30.8	Very low	31	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	83%	0.828	S	S	*	*			trans	-55.7	117.8	-177.5	-73.2	-23	0	0	0	111.1
14	A	31.3	Very low	31	Very low	90 Å²	90	146.5 Å²	146.5	74%	0.744	83%	0.828	S	S	*	*			trans	-79.5	132.2	168	0	0	0	0	0	109.4	R12	R12-A14 PolarHBondContact O-N 2.73Å
15	S	29.8	Very low	31	Very low	124 Å²	124	142.9 Å²	142.9	87%	0.867	82%	0.823	S	S	*	*			trans	-109	124.5	158.2	-61.2	0	0	0	0	107.4
16	L	31.6	Very low	31.1	Very low	155 Å²	155	141.5 Å²	141.5	81%	0.812	82%	0.824	S	S	*	*			trans	-86.8	136.7	-167.4	-132.6	93.5	0	0	0	112.6
17	L	29.6	Very low	31.3	Very low	128 Å²	128	142.3 Å²	142.3	67%	0.67	82%	0.824	S	S	*	*			trans	19.3	137.1	143	-85.9	129.4	0	0	0	122.6	A19	L17-A19 HydrophobicContact CD2-CB 3.91Å
18	F	28.8	Very low	31.6	Very low	214 Å²	214	138.7 Å²	138.7	94%	0.939	82%	0.819	S	S	*	*				-127.6	125	126.9	-99.8	-82.5	0	0	0	110.1
19	A	30.8	Very low	31.9	Very low	76 Å²	76	134 Å²	134	63%	0.628	81%	0.81	S	S	*	*			trans	-112.9	128.1	168	0	0	0	0	0	108.3	L17	L17-A19 HydrophobicContact CD2-CB 3.91Å
20	T	29.9	Very low	32.5	Very low	139 Å²	139	134.6 Å²	134.6	85%	0.853	80%	0.802	S	S	*	*			trans	-117.1	130.8	160.7	44.1	0	0	0	0	108.7
21	M	36	Very low	32.6	Very low	199 Å²	199	135.5 Å²	135.5	98%	0.98	80%	0.8	S	S	*	*			trans	-66.1	133.3	-166.2	-61.6	176.7	64.5	0	0	113.3
22	G	28.4	Very low	33.2	Very low	62 Å²	62	136.9 Å²	136.9	64%	0.639	79%	0.79	S	S	*	*			trans	-170.2	120.2	165.3	0	0	0	0	0	108.8	S24	G22-S24 PolarHBondContact O-N 2.86Å
23	T	39.1	Very low	33.4	Very low	149 Å²	149	133.5 Å²	133.5	91%	0.914	79%	0.788	S	S	*	*			trans	-52.9	103.5	-175.7	43.2	0	0	0	0	113.1
24	S	28.3	Very low	33.9	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	79%	0.786	S	S	*	*	S	Bend	trans	-175.9	140.1	156.5	24.3	0	0	0	0	110.8	G22	G22-S24 PolarHBondContact O-N 2.86Å
25	A	35.5	Very low	34.3	Very low	87 Å²	87	137.9 Å²	137.9	72%	0.719	78%	0.778	S	S	*	*			trans	8.1	111	171.7	0	0	0	0	0	119	T27	A25-T27 PolarHBondContact O-N 2.74Å
26	L	30.5	Very low	34.8	Very low	174 Å²	174	142 Å²	142	91%	0.911	78%	0.78	S	S	*	*			trans	-64.7	96.8	161.4	-84.2	160.5	0	0	0	109.5
27	T	36.3	Very low	35.5	Very low	132 Å²	132	139.1 Å²	139.1	81%	0.81	77%	0.769	S	S	*	*			trans	-95.2	103.2	164.2	16.3	0	0	0	0	107.7	A25 G29	A25-T27 PolarHBondContact O-N 2.74Å; T27-G29 PolarHBondContact O-N 2.94Å; T27-G29 VanDerWaalsContact O-N 3.13Å
28	T	35.8	Very low	36.6	Very low	126 Å²	126	137.6 Å²	137.6	77%	0.773	77%	0.768	S	S	*	*			trans	-80	88.9	171	-51.2	0	0	0	0	108.1	Y30	T28-Y30 PolarHBondContact O-N 3.45Å
29	G	34.6	Very low	38.1	Very low	67 Å²	67	127.8 Å²	127.8	69%	0.691	73%	0.726	S	S	*	*			trans	-74	114.2	171.5	0	0	0	0	0	110.5	T27 L31	T27-G29 PolarHBondContact O-N 2.94Å; T27-G29 VanDerWaalsContact O-N 3.13Å; G29-L31 PolarHBondContact O-N 2.8Å
30	Y	41.1	Very low	39.8	Very low	193 Å²	193	130.6 Å²	130.6	76%	0.757	73%	0.726	S	S	*	*			trans	-79.4	106.3	169.6	-136.1	-93.3	0	0	0	107.9	T28 L32	T28-Y30 PolarHBondContact O-N 3.45Å; Y30-L32 PolarHBondContact O-N 3.09Å
31	L	35	Very low	41.8	Very low	166 Å²	166	128.6 Å²	128.6	87%	0.869	71%	0.709	S	S	*	*			trans	-69.4	95.3	170.4	-81.1	163	0	0	0	108.5	G29 N33	G29-L31 PolarHBondContact O-N 2.8Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.74Å
32	L	43	Very low	44	Very low	100 Å²	100	125.6 Å²	125.6	52%	0.524	69%	0.687	S	S	.	*			trans	-68.9	95.6	166.3	-73	169.9	0	0	0	107.8	Y30	Y30-L32 PolarHBondContact O-N 3.09Å
33	N	36.3	Very low	46.6	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	69%	0.685	S	S	*	*			trans	-66.6	147.1	173.6	-151.2	-3	0	0	0	109.1	L31 Q35	L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.74Å; N33-Q35 PolarHBondContact O-N 3.44Å
34	R	39.5	Very low	48.7	Very low	233 Å²	233	126.7 Å²	126.7	88%	0.879	67%	0.665	S	S	*	*			trans	-59.5	77.6	176.1	-89.2	-175.8	168.8	-172.9	-1.9	111.2
35	Q	39.8	Very low	51.2	Low	120 Å²	120	127 Å²	127	56%	0.561	66%	0.664	S	S	*	*			trans	-92.7	131.8	164	-73	-173.5	-15.1	0	0	106.8	N33 V37	N33-Q35 PolarHBondContact O-N 3.44Å; Q35-V37 VanDerWaalsContact C-N 3.26Å; Q35-V37 PolarHBondContact O-N 2.96Å
36	K	40.4	Very low	53.7	Low	209 Å²	209	126.8 Å²	126.8	91%	0.909	65%	0.645	S	S	*	*			trans	-55.9	100.5	159.6	-75.3	179.9	175	-178	0	105.8	C38	K36-C38 PolarHBondContact O-N 3.26Å
37	V	46.3	Very low	56.5	Low	96 Å²	96	126 Å²	126	58%	0.582	64%	0.641	S	S	*	*			trans	-68.2	104.8	173.3	-175.1	0	0	0	0	104.8	Q35	Q35-V37 VanDerWaalsContact C-N 3.26Å; Q35-V37 PolarHBondContact O-N 2.96Å
38	C	53	Low	59.3	Low	96 Å²	96	125.6 Å²	125.6	65%	0.649	63%	0.628	S	S	*	*			trans	-93.7	119.1	168.3	-171.6	0	0	0	0	104.8	K36 E40	K36-C38 PolarHBondContact O-N 3.26Å; C38-E40 PolarHBondContact O-N 2.96Å; C38-E40 VanDerWaalsContact O-N 3.16Å
39	A	60.1	Low	62.1	Low	7 Å²	7	123.3 Å²	123.3	6%	0.058	62%	0.615	C	S	.	*			trans	-58.5	120.8	-179.7	0	0	0	0	0	110.3	I41 E114 E117 V118	A39-I41 PolarHBondContact O-N 3.23Å; A39-E114 HydrophobicContact CB-CB 3.96Å; A39-E114 HydrophobicContact CB-CG 3.97Å; A39-E117 HydrophobicContact CB-CB 4.42Å; A39-E117 HydrophobicContact CB-CG 4.33Å; A39-E117 VanDerWaalsContact CB-OE2 3.28Å; A39-E117 WeakPolarHBondContact CB-OE2 3.31Å; A39-E117 PolarHBondContact N-OE2 3.43Å; A39-V118 HydrophobicContact CB-CG2 3.69Å
40	E	67.3	Low	65	Low	135 Å²	135	121.9 Å²	121.9	63%	0.631	59%	0.594	S	S	*	*			trans	-66.5	106.1	167.3	-80.5	-172.6	174.9	0	0	108.7	C38 R42	C38-E40 PolarHBondContact O-N 2.96Å; C38-E40 VanDerWaalsContact O-N 3.16Å; E40-R42 PolarHBondContact O-N 3.12Å; E40-R42 IonicContact OE2-NH2 3.23Å
41	I	71.6	Confident	67.6	Low	97 Å²	97	117.3 Å²	117.3	50%	0.497	59%	0.59	S	S	.	*			trans	-73.2	114.5	179.7	-64	176.7	0	0	0	109.4	A39 K79	A39-I41 PolarHBondContact O-N 3.23Å; I41-K79 HydrophobicContact CG2-CD 3.18Å
42	R	81.4	Confident	70.6	Confident	137 Å²	137	112.7 Å²	112.7	52%	0.517	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104	148.6	172.2	-65.1	178.9	-175.7	175.6	3.1	110.1	E40 K79 V80	E40-R42 PolarHBondContact O-N 3.12Å; E40-R42 IonicContact OE2-NH2 3.23Å; R42-K79 WeakPolarHBondContact O-CA 3.4Å; R42-V80 HydrophobicContact CB-CG2 3.7Å; R42-V80 PolarHBondContact O-N 3.03Å
43	E	84.2	Confident	73.2	Confident	127 Å²	127	110.8 Å²	110.8	59%	0.593	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.6	134.3	174.8	-68.8	-173.9	-177.1	0	0	110.7	N78 K79	E43-N78 CarbonylContact C-O 3.5Å; E43-N78 VanDerWaalsContact CA-O 3.24Å; E43-N78 WeakPolarHBondContact CA-O 3.39Å; E43-K79 HydrophobicContact CG-CD 4.28Å; E43-K79 WeakPolarHBondContact OE1-CE 3.45Å; E43-K79 IonicContact OE1-NZ 2.95Å; E43-K79 PolarHBondContact OE1-NZ 3.25Å
44	Q	82.8	Confident	76.2	Confident	107 Å²	107	107.5 Å²	107.5	50%	0.5	54%	0.544	S	S	.	.			trans	-110	113.5	172.5	-168.3	178.3	8.8	0	0	109	N78 V80	Q44-N78 PolarHBondContact N-O 3.41Å; Q44-V80 HydrophobicContact CB-CG1 4.09Å
45	P	81.6	Confident	79	Confident	119 Å²	119	97.3 Å²	97.3	77%	0.773	51%	0.508	S	S	*	.			trans	-65.4	140.8	178.5	25.4	-31.3	0	0	0	110.5
46	R	87.5	Confident	81.8	Confident	83 Å²	83	95.9 Å²	95.9	31%	0.313	50%	0.504	S	S	.	.			trans	-119	153.6	-179.8	-60.9	-110.7	-161	146.9	2.2	110.1	R77 N78 D88	R46-R77 VanDerWaalsContact CG-NH1 3.25Å; R46-N78 WeakPolarHBondContact CG-OD1 3.39Å; R46-D88 IonicContact CZ-OD2 3.52Å; R46-D88 IonicContact NH1-OD2 2.74Å; R46-D88 PolarHBondContact NH1-OD2 2.87Å; R46-D88 IonicContact NH2-OD2 2.89Å; R46-D88 PolarHBondContact NH2-OD2 3.13Å
47	L	89.5	Confident	84.5	Confident	158 Å²	158	87.2 Å²	87.2	83%	0.827	47%	0.467	S	S	*	.	S	Bend	trans	-68	-38.2	-174.1	-175.8	63.7	0	0	0	113.3
48	F	94.6	Very high	86.9	Confident	122 Å²	122	92.8 Å²	92.8	54%	0.535	48%	0.478	S	S	.	.	S	Bend	trans	-103.2	152.9	-175	-65	-75.6	0	0	0	112	A52	F48-A52 HydrophobicContact CB-CB 4.08Å
49	P	95.2	Very high	89	Confident	79 Å²	79	97.4 Å²	97.4	51%	0.513	49%	0.487	S	S	.	.			trans	-60.4	146.9	172.4	26.8	-34.8	0	0	0	110.1	S51 A52	P49-S51 PolarHBondContact O-N 3.41Å; P49-A52 HydrophobicContact CG-CB 4.24Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.38Å
50	P	95.7	Very high	90.7	Very high	37 Å²	37	99 Å²	99	24%	0.24	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.8	-173.5	-26.4	33.4	0	0	0	114.9	A52 D53 Y54 Y73 A74	P50-A52 VanDerWaalsContact C-N 3.26Å; P50-A52 PolarHBondContact O-N 2.82Å; P50-D53 PolarHBondContact O-N 3.25Å; P50-Y54 PolarHBondContact O-N 3.07Å; P50-Y73 VanDerWaalsContact O-CE1 3.22Å; P50-Y73 WeakPolarHBondContact O-CE1 3.46Å; P50-A74 HydrophobicContact CB-CB 3.85Å; P50-A74 HydrophobicContact CG-CB 4.23Å
51	S	95.8	Very high	92.1	Very high	97 Å²	97	96.9 Å²	96.9	68%	0.678	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-65.6	-25.8	178.6	55.9	0	0	0	0	114	P49 D53 Y54	P49-S51 PolarHBondContact O-N 3.41Å; S51-D53 PolarHBondContact O-N 3.06Å; S51-Y54 PolarHBondContact O-N 3.38Å
52	A	97.4	Very high	93.3	Very high	69 Å²	69	92.3 Å²	92.3	57%	0.57	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-71.5	-22.8	179.1	0	0	0	0	0	112.5	F48 P49 P50	F48-A52 HydrophobicContact CB-CB 4.08Å; P49-A52 HydrophobicContact CG-CB 4.24Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.38Å; P50-A52 VanDerWaalsContact C-N 3.26Å; P50-A52 PolarHBondContact O-N 2.82Å
53	D	97.6	Very high	94.1	Very high	60 Å²	60	86 Å²	86	32%	0.321	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-103.1	2.4	179.1	-65.3	-88.3	0	0	0	112.7	P50 S51 Y73 R77	P50-D53 PolarHBondContact O-N 3.25Å; S51-D53 PolarHBondContact O-N 3.06Å; D53-Y73 HydrophobicContact CB-CE1 4.12Å; D53-Y73 WeakPolarHBondContact CB-OH 3.35Å; D53-Y73 PolarHBondContact O-OH 3.48Å; D53-Y73 VanDerWaalsContact O-OH 3.14Å; D53-R77 VanDerWaalsContact CB-NE 3.3Å; D53-R77 IonicContact OD1-CZ 3.91Å; D53-R77 IonicContact OD1-NH2 3.96Å; D53-R77 PolarHBondContact OD1-NH2 3.37Å; D53-R77 IonicContact OD2-CZ 2.86Å; D53-R77 IonicContact OD2-NE 3.56Å; D53-R77 IonicContact OD2-NH1 3.63Å; D53-R77 PolarHBondContact OD2-NH1 2.97Å; D53-R77 IonicContact OD2-NH2 3.44Å; D53-R77 PolarHBondContact OD2-NH2 3.36Å
54	Y	98.3	Very high	94.8	Very high	70 Å²	70	79.9 Å²	79.9	28%	0.275	41%	0.411	S	S	.	.			trans	-64.6	129.5	179.5	-169.3	-94.6	0	0	0	110.6	P50 S51 L68 T69 P70 Y73	P50-Y54 PolarHBondContact O-N 3.07Å; S51-Y54 PolarHBondContact O-N 3.38Å; Y54-L68 HydrophobicContact CE2-CD2 4.17Å; Y54-L68 HydrophobicContact CE2-CG 4.14Å; Y54-L68 PolarHBondContact OH-O 2.65Å; Y54-T69 WeakPolarHBondContact OH-CA 3.47Å; Y54-P70 HydrophobicContact CE1-CG 4.47Å; Y54-P70 HydrophobicContact CE2-CB 4.35Å; Y54-P70 HydrophobicContact CE2-CG 4.17Å; Y54-Y73 AromaticContact CD2-CD1 3.68Å; Y54-Y73 HydrophobicContact CD2-CD1 3.68Å; Y54-Y73 HydrophobicContact CD2-CD2 4.38Å; Y54-Y73 AromaticContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CE2-CG 4.1Å; Y54-Y73 HydrophobicContact CG-CD1 4.46Å
55	P	98.3	Very high	95.5	Very high	18 Å²	18	75.7 Å²	75.7	12%	0.117	39%	0.394	C	S	.	.			trans	-70.9	145.1	-175.1	28.8	-35.8	0	0	0	112.4	L57 L68 I91 V95	P55-L57 HydrophobicContact CB-CD1 4.43Å; P55-L57 HydrophobicContact CB-CD2 4.16Å; P55-L57 HydrophobicContact CB-CG 4.06Å; P55-L57 HydrophobicContact CG-CD1 3.85Å; P55-L57 HydrophobicContact CG-CD2 4.41Å; P55-L57 HydrophobicContact CG-CG 4.01Å; P55-L57 PolarHBondContact O-N 3.11Å; P55-L68 HydrophobicContact CG-CD2 3.73Å; P55-I91 HydrophobicContact CG-CD1 4.23Å; P55-V95 HydrophobicContact CB-CG1 4.25Å; P55-V95 HydrophobicContact CB-CG2 3.81Å; P55-V95 HydrophobicContact CG-CG2 4.3Å
56	D	98.4	Very high	96.3	Very high	91 Å²	91	74.5 Å²	74.5	49%	0.487	38%	0.379	S	S	.	.			trans	-79.7	106.8	168.5	-179.5	10.1	0	0	0	110.5	R58 H60	D56-R58 WeakPolarHBondContact OD1-CB 3.39Å; D56-R58 VanDerWaalsContact OD1-CG 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.33Å; D56-R58 IonicContact OD1-CZ 3.49Å; D56-R58 PolarHBondContact OD1-N 3.25Å; D56-R58 IonicContact OD1-NE 2.84Å; D56-R58 PolarHBondContact OD1-NE 3.46Å; D56-R58 IonicContact OD1-NH2 2.65Å; D56-R58 IonicContact OD2-CZ 3.64Å; D56-R58 IonicContact OD2-NE 3.93Å; D56-R58 PolarHBondContact OD2-NE 2.71Å; D56-R58 IonicContact OD2-NH2 2.69Å; D56-R58 PolarHBondContact OD2-NH2 3.16Å; D56-H60 PolarHBondContact O-CE1 3.07Å
57	L	98.1	Very high	96.8	Very high	26 Å²	26	71.6 Å²	71.6	14%	0.136	37%	0.37	C	S	.	.			trans	-113.5	17.9	-175.3	-60.7	175.3	0	0	0	113.3	P55 K59 H60 M64 A65 L68 V95	P55-L57 HydrophobicContact CB-CD1 4.43Å; P55-L57 HydrophobicContact CB-CD2 4.16Å; P55-L57 HydrophobicContact CB-CG 4.06Å; P55-L57 HydrophobicContact CG-CD1 3.85Å; P55-L57 HydrophobicContact CG-CD2 4.41Å; P55-L57 HydrophobicContact CG-CG 4.01Å; P55-L57 PolarHBondContact O-N 3.11Å; L57-K59 PolarHBondContact O-N 3.22Å; L57-H60 HydrophobicContact CB-CB 4.35Å; L57-H60 HydrophobicContact CD2-CB 4.37Å; L57-H60 PolarHBondContact O-N 3.22Å; L57-M64 HydrophobicContact CD1-CE 4.47Å; L57-M64 HydrophobicContact CD1-SD 4.24Å; L57-M64 HydrophobicContact CD2-CE 4.32Å; L57-A65 HydrophobicContact CB-CB 4.23Å; L57-A65 HydrophobicContact CD1-CB 4.05Å; L57-A65 HydrophobicContact CD2-CB 4.36Å; L57-A65 HydrophobicContact CG-CB 4.46Å; L57-L68 HydrophobicContact CD1-CB 4.48Å; L57-L68 HydrophobicContact CD1-CD2 3.88Å; L57-V95 HydrophobicContact CD2-CG2 4.29Å
58	R	96.8	Very high	97.3	Very high	213 Å²	213	64.5 Å²	64.5	80%	0.804	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.3	-172.2	-72.2	175.8	-66.9	174.2	-0.2	115.1	D56	D56-R58 WeakPolarHBondContact OD1-CB 3.39Å; D56-R58 VanDerWaalsContact OD1-CG 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.33Å; D56-R58 IonicContact OD1-CZ 3.49Å; D56-R58 PolarHBondContact OD1-N 3.25Å; D56-R58 IonicContact OD1-NE 2.84Å; D56-R58 PolarHBondContact OD1-NE 3.46Å; D56-R58 IonicContact OD1-NH2 2.65Å; D56-R58 IonicContact OD2-CZ 3.64Å; D56-R58 IonicContact OD2-NE 3.93Å; D56-R58 PolarHBondContact OD2-NE 2.71Å; D56-R58 IonicContact OD2-NH2 2.69Å; D56-R58 PolarHBondContact OD2-NH2 3.16Å
59	K	96.2	Very high	97.5	Very high	193 Å²	193	61.4 Å²	61.4	84%	0.839	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	22.7	-177	-63.9	-176.4	-179.8	178.4	0	112.5	L57	L57-K59 PolarHBondContact O-N 3.22Å
60	H	97.5	Very high	97.6	Very high	41 Å²	41	61.9 Å²	61.9	19%	0.19	33%	0.328	C	S	.	.			trans	-102.2	136.9	-174.1	-68.3	58.8	0	0	0	111.3	D56 L57 A65 G94 V95 P98	D56-H60 PolarHBondContact O-CE1 3.07Å; L57-H60 HydrophobicContact CB-CB 4.35Å; L57-H60 HydrophobicContact CD2-CB 4.37Å; L57-H60 PolarHBondContact O-N 3.22Å; H60-A65 HydrophobicContact CB-CB 3.7Å; H60-G94 PolarHBondContact CD2-O 3.36Å; H60-V95 PolarHBondContact NE2-O 2.63Å; H60-P98 CarbonylContact C-O 3.53Å; H60-P98 WeakPolarHBondContact CA-O 3.43Å; H60-P98 VanDerWaalsContact CD2-CA 3.45Å; H60-P98 WeakPolarHBondContact CD2-CA 3.22Å
61	N	95.8	Very high	97.8	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	35%	0.345	S	S	.	.			trans	-128.4	69.7	178.8	-178.9	21.7	0	0	0	109.3	P98	N61-P98 PolarHBondContact N-O 3.01Å
62	N	97.2	Very high	97.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-140.2	158.8	172.8	63.9	60.6	0	0	0	109.8	M64 A65 E66 G94 N97 T105	N62-M64 VanDerWaalsContact C-N 3.31Å; N62-M64 PolarHBondContact O-N 3.03Å; N62-M64 PolarHBondContact OD1-N 2.61Å; N62-A65 PolarHBondContact O-N 3.03Å; N62-A65 WeakPolarHBondContact OD1-CB 3.09Å; N62-A65 PolarHBondContact OD1-N 3.3Å; N62-E66 PolarHBondContact O-N 2.97Å; N62-G94 PolarHBondContact ND2-O 2.94Å; N62-N97 PolarHBondContact ND2-O 2.94Å; N62-T105 WeakPolarHBondContact CA-O 3.36Å; N62-T105 WeakPolarHBondContact CB-O 3.34Å; N62-T105 WeakPolarHBondContact CB-OG1 3.25Å
63	C	97.9	Very high	98	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-38.4	-172.7	-57.8	0	0	0	0	113.2	E66 C67 T105 V106 V126 L129	C63-E66 PolarHBondContact O-N 2.85Å; C63-C67 WeakPolarHBondContact O-CB 3.34Å; C63-C67 PolarHBondContact O-N 3.35Å; C63-C67 PolarHBondContact O-SG 3.06Å; C63-C67 VanDerWaalsContact O-SG 3.36Å; C63-T105 PolarHBondContact N-O 2.88Å; C63-T105 PolarHBondContact SG-O 2.85Å; C63-V106 CarbonylContact C-O 3.52Å; C63-V106 WeakPolarHBondContact CB-O 3.48Å; C63-V106 PolarHBondContact N-O 3.34Å; C63-V126 HydrophobicContact CB-CG1 3.93Å; C63-L129 HydrophobicContact CB-CD2 3.91Å; C63-L129 HydrophobicContact CB-CG 4.48Å
64	M	98.6	Very high	98	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-49.1	176.7	178.8	-76.9	-67	0	0	110.7	L57 N62 E66 C67 L68 I91 V95 V106 G107 M108 L122	L57-M64 HydrophobicContact CD1-CE 4.47Å; L57-M64 HydrophobicContact CD1-SD 4.24Å; L57-M64 HydrophobicContact CD2-CE 4.32Å; N62-M64 VanDerWaalsContact C-N 3.31Å; N62-M64 PolarHBondContact O-N 3.03Å; N62-M64 PolarHBondContact OD1-N 2.61Å; M64-E66 VanDerWaalsContact C-N 3.28Å; M64-E66 PolarHBondContact O-N 2.88Å; M64-C67 PolarHBondContact O-N 2.84Å; M64-C67 VanDerWaalsContact O-N 3.09Å; M64-L68 WeakPolarHBondContact O-CB 3.49Å; M64-L68 PolarHBondContact O-N 3.39Å; M64-L68 HydrophobicContact SD-CB 4.12Å; M64-L68 HydrophobicContact SD-CD2 4.03Å; M64-I91 HydrophobicContact CE-CB 3.99Å; M64-I91 HydrophobicContact CG-CB 4.04Å; M64-I91 HydrophobicContact CG-CG2 3.72Å; M64-I91 HydrophobicContact SD-CB 3.93Å; M64-I91 HydrophobicContact SD-CG2 3.99Å; M64-V95 HydrophobicContact CE-CG2 4.15Å; M64-V106 WeakPolarHBondContact CB-O 3.35Å; M64-V106 PolarHBondContact N-O 2.88Å; M64-G107 WeakPolarHBondContact CB-O 3.4Å; M64-M108 HydrophobicContact CB-CB 4.19Å; M64-M108 HydrophobicContact CB-CG 4.3Å; M64-M108 HydrophobicContact CB-SD 4.39Å; M64-M108 HydrophobicContact CG-CB 4.09Å; M64-M108 HydrophobicContact CG-SD 4.33Å; M64-L122 HydrophobicContact CG-CD2 4.4Å
65	A	98.4	Very high	97.9	Very high	18 Å²	18	59.6 Å²	59.6	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-31.6	-178.9	0	0	0	0	0	113.6	L57 H60 N62 C67	L57-A65 HydrophobicContact CB-CB 4.23Å; L57-A65 HydrophobicContact CD1-CB 4.05Å; L57-A65 HydrophobicContact CD2-CB 4.36Å; L57-A65 HydrophobicContact CG-CB 4.46Å; H60-A65 HydrophobicContact CB-CB 3.7Å; N62-A65 PolarHBondContact O-N 3.03Å; N62-A65 WeakPolarHBondContact OD1-CB 3.09Å; N62-A65 PolarHBondContact OD1-N 3.3Å; A65-C67 VanDerWaalsContact C-N 3.33Å
66	E	98	Very high	97.9	Very high	95 Å²	95	59 Å²	59	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-74.4	-22.9	175.6	-75.6	173.8	-144.6	0	0	113.8	N62 C63 M64 K104 L129	N62-E66 PolarHBondContact O-N 2.97Å; C63-E66 PolarHBondContact O-N 2.85Å; M64-E66 VanDerWaalsContact C-N 3.28Å; M64-E66 PolarHBondContact O-N 2.88Å; E66-K104 WeakPolarHBondContact OE1-CE 3.23Å; E66-K104 IonicContact OE1-NZ 3.86Å; E66-K104 PolarHBondContact OE1-NZ 3.37Å; E66-K104 IonicContact OE2-NZ 3.65Å; E66-K104 PolarHBondContact OE2-NZ 2.76Å; E66-L129 HydrophobicContact CB-CD2 4.07Å; E66-L129 WeakPolarHBondContact OE2-CD2 3.3Å
67	C	98.6	Very high	97.9	Very high	21 Å²	21	54.8 Å²	54.8	14%	0.142	28%	0.284	C	S	.	.	H	α-helix	trans	-104.4	-23.5	-175.5	-68.1	0	0	0	0	113.2	C63 M64 A65 L122 P125 V126	C63-C67 WeakPolarHBondContact O-CB 3.34Å; C63-C67 PolarHBondContact O-N 3.35Å; C63-C67 PolarHBondContact O-SG 3.06Å; C63-C67 VanDerWaalsContact O-SG 3.36Å; M64-C67 PolarHBondContact O-N 2.84Å; M64-C67 VanDerWaalsContact O-N 3.09Å; A65-C67 VanDerWaalsContact C-N 3.33Å; C67-L122 HydrophobicContact CB-CD1 4.2Å; C67-P125 HydrophobicContact CB-CB 4.28Å; C67-P125 HydrophobicContact CB-CG 4.34Å; C67-V126 HydrophobicContact CB-CG2 3.65Å
68	L	98.7	Very high	97.8	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	29%	0.289	C	S	.	.			trans	-70.7	134.7	179.8	-170.6	67.1	0	0	0	110.8	Y54 P55 L57 M64 I72 Y73 I91 L122	Y54-L68 HydrophobicContact CE2-CD2 4.17Å; Y54-L68 HydrophobicContact CE2-CG 4.14Å; Y54-L68 PolarHBondContact OH-O 2.65Å; P55-L68 HydrophobicContact CG-CD2 3.73Å; L57-L68 HydrophobicContact CD1-CB 4.48Å; L57-L68 HydrophobicContact CD1-CD2 3.88Å; M64-L68 WeakPolarHBondContact O-CB 3.49Å; M64-L68 PolarHBondContact O-N 3.39Å; M64-L68 HydrophobicContact SD-CB 4.12Å; M64-L68 HydrophobicContact SD-CD2 4.03Å; L68-I72 HydrophobicContact CD1-CG2 4.17Å; L68-Y73 HydrophobicContact CD1-CD2 4.4Å; L68-Y73 HydrophobicContact CD2-CD2 4.37Å; L68-I91 HydrophobicContact CD2-CD1 4.13Å; L68-L122 HydrophobicContact CB-CD1 4.16Å; L68-L122 HydrophobicContact CD1-CD1 3.98Å; L68-L122 HydrophobicContact CD1-CD2 3.92Å
69	T	98.6	Very high	97.8	Very high	57 Å²	57	47.4 Å²	47.4	35%	0.35	26%	0.259	S	S	.	.			trans	-130.6	157.7	174.7	66.1	0	0	0	0	110.3	Y54 A71 I72 Y73	Y54-T69 WeakPolarHBondContact OH-CA 3.47Å; T69-A71 PolarHBondContact O-N 3.48Å; T69-I72 HydrophobicContact CG2-CD1 4.38Å; T69-I72 PolarHBondContact O-N 3.33Å; T69-I72 VanDerWaalsContact O-N 3.14Å; T69-I72 VanDerWaalsContact OG1-CG1 3.3Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.44Å; T69-I72 PolarHBondContact OG1-N 3.37Å; T69-Y73 PolarHBondContact O-N 3.17Å
70	P	98.5	Very high	97.9	Very high	89 Å²	89	38.9 Å²	38.9	58%	0.578	22%	0.223	S	C	*	.	H	α-helix	trans	-54.1	-36.1	175	-28.7	36.4	0	0	0	113.3	Y54 A74	Y54-P70 HydrophobicContact CE1-CG 4.47Å; Y54-P70 HydrophobicContact CE2-CB 4.35Å; Y54-P70 HydrophobicContact CE2-CG 4.17Å; P70-A74 VanDerWaalsContact O-CB 3.26Å; P70-A74 WeakPolarHBondContact O-CB 3.43Å; P70-A74 PolarHBondContact O-N 3.47Å
71	A	98.5	Very high	97.9	Very high	73 Å²	73	37 Å²	37	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-68	-46.3	177.7	0	0	0	0	0	112.4	T69 K75	T69-A71 PolarHBondContact O-N 3.48Å; A71-K75 WeakPolarHBondContact O-CB 3.18Å; A71-K75 PolarHBondContact O-N 3Å
72	I	98.6	Very high	98	Very high	33 Å²	33	34.8 Å²	34.8	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-47	176.3	-69.5	170.5	0	0	0	110	L68 T69 K75 L76 L122	L68-I72 HydrophobicContact CD1-CG2 4.17Å; T69-I72 HydrophobicContact CG2-CD1 4.38Å; T69-I72 PolarHBondContact O-N 3.33Å; T69-I72 VanDerWaalsContact O-N 3.14Å; T69-I72 VanDerWaalsContact OG1-CG1 3.3Å; T69-I72 WeakPolarHBondContact OG1-CG1 3.44Å; T69-I72 PolarHBondContact OG1-N 3.37Å; I72-K75 PolarHBondContact O-N 3.03Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.34Å; I72-L76 WeakPolarHBondContact O-CB 3.43Å; I72-L76 WeakPolarHBondContact O-CG 3.27Å; I72-L76 PolarHBondContact O-N 3.47Å; I72-L122 HydrophobicContact CG2-CB 4.02Å; I72-L122 HydrophobicContact CG2-CD1 4.43Å
73	Y	98.6	Very high	98	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-50	179.6	-171.5	-100.1	0	0	0	111.2	P50 D53 Y54 L68 T69 K75 L76 R77 L87 D88 I91	P50-Y73 VanDerWaalsContact O-CE1 3.22Å; P50-Y73 WeakPolarHBondContact O-CE1 3.46Å; D53-Y73 HydrophobicContact CB-CE1 4.12Å; D53-Y73 WeakPolarHBondContact CB-OH 3.35Å; D53-Y73 PolarHBondContact O-OH 3.48Å; D53-Y73 VanDerWaalsContact O-OH 3.14Å; Y54-Y73 AromaticContact CD2-CD1 3.68Å; Y54-Y73 HydrophobicContact CD2-CD1 3.68Å; Y54-Y73 HydrophobicContact CD2-CD2 4.38Å; Y54-Y73 AromaticContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CD2-CG 3.61Å; Y54-Y73 HydrophobicContact CE2-CG 4.1Å; Y54-Y73 HydrophobicContact CG-CD1 4.46Å; L68-Y73 HydrophobicContact CD1-CD2 4.4Å; L68-Y73 HydrophobicContact CD2-CD2 4.37Å; T69-Y73 PolarHBondContact O-N 3.17Å; Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.47Å; Y73-L76 PolarHBondContact O-N 3.24Å; Y73-R77 HydrophobicContact CD1-CB 4.49Å; Y73-R77 HydrophobicContact CE1-CB 4.28Å; Y73-R77 VanDerWaalsContact CE1-CD 3.46Å; Y73-R77 HydrophobicContact CE1-CG 4.1Å; Y73-R77 WeakPolarHBondContact O-CB 3.35Å; Y73-R77 PolarHBondContact O-N 3.44Å; Y73-R77 PolarHBondContact OH-NE 3.39Å; Y73-R77 VanDerWaalsContact OH-NE 3.15Å; Y73-L87 HydrophobicContact CD2-CD2 3.61Å; Y73-L87 HydrophobicContact CE2-CD2 3.96Å; Y73-L87 HydrophobicContact CG-CD2 4.4Å; Y73-D88 VanDerWaalsContact CE2-OD1 3.32Å; Y73-D88 WeakPolarHBondContact CE2-OD1 3.16Å; Y73-D88 PolarHBondContact OH-OD1 3.47Å; Y73-I91 HydrophobicContact CD2-CD1 4.42Å; Y73-I91 HydrophobicContact CE2-CD1 4.1Å
74	A	97.9	Very high	98	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-37.2	178.3	0	0	0	0	0	113.2	P50 P70	P50-A74 HydrophobicContact CB-CB 3.85Å; P50-A74 HydrophobicContact CG-CB 4.23Å; P70-A74 VanDerWaalsContact O-CB 3.26Å; P70-A74 WeakPolarHBondContact O-CB 3.43Å; P70-A74 PolarHBondContact O-N 3.47Å
75	K	97.8	Very high	98	Very high	129 Å²	129	41.8 Å²	41.8	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-68.7	-40.3	177.7	-177.4	179.6	178.1	-173.5	0	112.8	A71 I72 Y73 D121	A71-K75 WeakPolarHBondContact O-CB 3.18Å; A71-K75 PolarHBondContact O-N 3Å; I72-K75 PolarHBondContact O-N 3.03Å; Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.47Å; K75-D121 VanDerWaalsContact CD-OD2 3.29Å; K75-D121 WeakPolarHBondContact CD-OD2 3.29Å; K75-D121 WeakPolarHBondContact CE-OD2 3.27Å; K75-D121 IonicContact NZ-OD1 2.67Å; K75-D121 IonicContact NZ-OD2 2.81Å; K75-D121 PolarHBondContact NZ-OD2 3.48Å
76	L	98	Very high	98	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-98.2	-21.8	-169.4	-66.6	-174.8	0	0	0	114.1	I72 Y73 N78 K79 L87 F119 D121 L122	I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.34Å; I72-L76 WeakPolarHBondContact O-CB 3.43Å; I72-L76 WeakPolarHBondContact O-CG 3.27Å; I72-L76 PolarHBondContact O-N 3.47Å; Y73-L76 PolarHBondContact O-N 3.24Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.27Å; L76-N78 VanDerWaalsContact O-N 3.15Å; L76-K79 WeakPolarHBondContact O-CB 3.08Å; L76-K79 WeakPolarHBondContact O-CG 3.34Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-L87 HydrophobicContact CB-CD1 4.31Å; L76-L87 HydrophobicContact CB-CD2 3.7Å; L76-L87 HydrophobicContact CB-CG 4.44Å; L76-L87 HydrophobicContact CD1-CD1 4.15Å; L76-F119 HydrophobicContact CB-CD1 4.34Å; L76-F119 HydrophobicContact CD1-CB 4.3Å; L76-F119 HydrophobicContact CD1-CD1 4.49Å; L76-D121 HydrophobicContact CD1-CB 4.13Å; L76-D121 HydrophobicContact CD2-CB 4.43Å; L76-L122 HydrophobicContact CD1-CB 4.06Å
77	R	97.3	Very high	98	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.015	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.4	-169.1	-179.8	-178.2	-169.9	-101.4	-8.3	114.8	R46 D53 Y73 K79	R46-R77 VanDerWaalsContact CG-NH1 3.25Å; D53-R77 VanDerWaalsContact CB-NE 3.3Å; D53-R77 IonicContact OD1-CZ 3.91Å; D53-R77 IonicContact OD1-NH2 3.96Å; D53-R77 PolarHBondContact OD1-NH2 3.37Å; D53-R77 IonicContact OD2-CZ 2.86Å; D53-R77 IonicContact OD2-NE 3.56Å; D53-R77 IonicContact OD2-NH1 3.63Å; D53-R77 PolarHBondContact OD2-NH1 2.97Å; D53-R77 IonicContact OD2-NH2 3.44Å; D53-R77 PolarHBondContact OD2-NH2 3.36Å; Y73-R77 HydrophobicContact CD1-CB 4.49Å; Y73-R77 HydrophobicContact CE1-CB 4.28Å; Y73-R77 VanDerWaalsContact CE1-CD 3.46Å; Y73-R77 HydrophobicContact CE1-CG 4.1Å; Y73-R77 WeakPolarHBondContact O-CB 3.35Å; Y73-R77 PolarHBondContact O-N 3.44Å; Y73-R77 PolarHBondContact OH-NE 3.39Å; Y73-R77 VanDerWaalsContact OH-NE 3.15Å; R77-K79 VanDerWaalsContact C-N 3.33Å
78	N	96.6	Very high	98	Very high	44 Å²	44	37.6 Å²	37.6	24%	0.235	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.6	-177.8	-63.8	-14	0	0	0	112.2	E43 Q44 R46 L76	E43-N78 CarbonylContact C-O 3.5Å; E43-N78 VanDerWaalsContact CA-O 3.24Å; E43-N78 WeakPolarHBondContact CA-O 3.39Å; Q44-N78 PolarHBondContact N-O 3.41Å; R46-N78 WeakPolarHBondContact CG-OD1 3.39Å; L76-N78 VanDerWaalsContact C-N 3.29Å; L76-N78 PolarHBondContact O-N 3.27Å; L76-N78 VanDerWaalsContact O-N 3.15Å
79	K	97.3	Very high	98	Very high	39 Å²	39	41.2 Å²	41.2	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.7	178.4	-56.4	-82.2	179.6	-160.7	0	109.3	I41 R42 E43 L76 R77 V118 F119	I41-K79 HydrophobicContact CG2-CD 3.18Å; R42-K79 WeakPolarHBondContact O-CA 3.4Å; E43-K79 HydrophobicContact CG-CD 4.28Å; E43-K79 WeakPolarHBondContact OE1-CE 3.45Å; E43-K79 IonicContact OE1-NZ 2.95Å; E43-K79 PolarHBondContact OE1-NZ 3.25Å; L76-K79 WeakPolarHBondContact O-CB 3.08Å; L76-K79 WeakPolarHBondContact O-CG 3.34Å; L76-K79 PolarHBondContact O-N 2.92Å; R77-K79 VanDerWaalsContact C-N 3.33Å; K79-V118 HydrophobicContact CB-CG1 3.83Å; K79-F119 HydrophobicContact CB-CE1 3.96Å; K79-F119 WeakPolarHBondContact O-CE1 3.46Å
80	V	97.8	Very high	98	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.085	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.5	172.5	-57.9	0	0	0	0	110.3	R42 Q44 Y85 T86	R42-V80 HydrophobicContact CB-CG2 3.7Å; R42-V80 PolarHBondContact O-N 3.03Å; Q44-V80 HydrophobicContact CB-CG1 4.09Å; V80-Y85 WeakPolarHBondContact CA-O 3.36Å; V80-T86 HydrophobicContact CG1-CG2 3.8Å
81	T	98.2	Very high	98	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.202	C	C	.	.			trans	-70.5	168.2	171.4	70.6	0	0	0	0	110.3	N83 G84 Y85 D112 V118 F119	T81-N83 PolarHBondContact O-N 3.42Å; T81-N83 VanDerWaalsContact O-N 3.12Å; T81-G84 PolarHBondContact O-N 2.95Å; T81-G84 PolarHBondContact OG1-N 3.26Å; T81-Y85 PolarHBondContact N-O 2.91Å; T81-Y85 WeakPolarHBondContact OG1-CB 3.45Å; T81-Y85 PolarHBondContact OG1-N 2.88Å; T81-D112 WeakPolarHBondContact CB-OD2 3.37Å; T81-D112 VanDerWaalsContact CG2-OD1 3.31Å; T81-D112 WeakPolarHBondContact CG2-OD1 3.23Å; T81-D112 PolarHBondContact OG1-OD2 3.3Å; T81-V118 HydrophobicContact CG2-CB 4.4Å; T81-V118 HydrophobicContact CG2-CG2 4.35Å; T81-F119 HydrophobicContact CG2-CE2 3.68Å; T81-F119 HydrophobicContact CG2-CZ 4.23Å
82	P	97.8	Very high	98.1	Very high	46 Å²	46	34.7 Å²	34.7	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.5	177	-28.9	37.8	0	0	0	113.9	E114	P82-E114 HydrophobicContact CG-CB 4.44Å; P82-E114 HydrophobicContact CG-CG 3.96Å
83	N	96.3	Very high	98	Very high	102 Å²	102	33.5 Å²	33.5	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.4	178.2	-64.2	-38.3	0	0	0	113.7	T81	T81-N83 PolarHBondContact O-N 3.42Å; T81-N83 VanDerWaalsContact O-N 3.12Å
84	G	97.4	Very high	98	Very high	39 Å²	39	33.4 Å²	33.4	40%	0.402	18%	0.184	S	C	.	.			trans	82.8	16.8	174.6	0	0	0	0	0	115	T81	T81-G84 PolarHBondContact O-N 2.95Å; T81-G84 PolarHBondContact OG1-N 3.26Å
85	Y	98.4	Very high	98.1	Very high	10 Å²	10	33 Å²	33	4%	0.039	18%	0.176	C	C	.	.			trans	-73.1	141.7	172	-152.2	-112.2	0	0	0	110.2	V80 T81 Q89 C90 G111 P178 A179	V80-Y85 WeakPolarHBondContact CA-O 3.36Å; T81-Y85 PolarHBondContact N-O 2.91Å; T81-Y85 WeakPolarHBondContact OG1-CB 3.45Å; T81-Y85 PolarHBondContact OG1-N 2.88Å; Y85-Q89 HydrophobicContact CD1-CB 4.44Å; Y85-Q89 HydrophobicContact CD2-CB 4.15Å; Y85-Q89 HydrophobicContact CE1-CB 3.97Å; Y85-Q89 HydrophobicContact CE2-CB 3.64Å; Y85-Q89 HydrophobicContact CE2-CG 4.31Å; Y85-Q89 PolarHBondContact OH-O 2.88Å; Y85-C90 VanDerWaalsContact CE1-SG 3.56Å; Y85-G111 VanDerWaalsContact CE1-CA 3.42Å; Y85-P178 HydrophobicContact CE2-CB 4.41Å; Y85-P178 VanDerWaalsContact OH-CB 3.26Å; Y85-P178 WeakPolarHBondContact OH-CB 3.32Å; Y85-A179 HydrophobicContact CD2-CB 3.48Å; Y85-A179 VanDerWaalsContact CD2-CB 3.48Å; Y85-A179 HydrophobicContact CE2-CB 3.59Å; Y85-A179 HydrophobicContact CG-CB 4.36Å
86	T	98.6	Very high	98.1	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-120.8	161.9	-169.2	62	0	0	0	0	111.9	V80 D88 Q89 C90	V80-T86 HydrophobicContact CG1-CG2 3.8Å; T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.19Å; T86-Q89 PolarHBondContact O-N 2.9Å; T86-Q89 VanDerWaalsContact OG1-CG 3.32Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.2Å; T86-Q89 PolarHBondContact OG1-N 3.39Å; T86-Q89 PolarHBondContact OG1-OE1 2.98Å; T86-C90 PolarHBondContact O-N 3.49Å; T86-C90 VanDerWaalsContact O-N 3.07Å
87	L	98.7	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.8	-42.3	173.7	-177.5	69.1	0	0	0	112.5	Y73 L76 Q89 C90 I91 F119 L122	Y73-L87 HydrophobicContact CD2-CD2 3.61Å; Y73-L87 HydrophobicContact CE2-CD2 3.96Å; Y73-L87 HydrophobicContact CG-CD2 4.4Å; L76-L87 HydrophobicContact CB-CD1 4.31Å; L76-L87 HydrophobicContact CB-CD2 3.7Å; L76-L87 HydrophobicContact CB-CG 4.44Å; L76-L87 HydrophobicContact CD1-CD1 4.15Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.35Å; L87-C90 WeakPolarHBondContact O-CB 3.26Å; L87-C90 PolarHBondContact O-N 3.15Å; L87-C90 VanDerWaalsContact O-N 3.13Å; L87-I91 HydrophobicContact CD1-CG2 4.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.47Å; L87-I91 PolarHBondContact O-N 3.04Å; L87-I91 VanDerWaalsContact O-N 3.08Å; L87-F119 HydrophobicContact CB-CD1 4.09Å; L87-F119 HydrophobicContact CB-CE1 3.93Å; L87-F119 HydrophobicContact CD1-CB 4.43Å; L87-F119 HydrophobicContact CD1-CD1 4.09Å; L87-F119 HydrophobicContact CD1-CG 4.37Å; L87-L122 HydrophobicContact CD1-CD2 3.77Å
88	D	98.6	Very high	97.9	Very high	31 Å²	31	33.8 Å²	33.8	17%	0.166	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-42.1	-178.9	-65.9	-30.2	0	0	0	110.7	R46 Y73 T86 C90 I91 Q92	R46-D88 IonicContact CZ-OD2 3.52Å; R46-D88 IonicContact NH1-OD2 2.74Å; R46-D88 PolarHBondContact NH1-OD2 2.87Å; R46-D88 IonicContact NH2-OD2 2.89Å; R46-D88 PolarHBondContact NH2-OD2 3.13Å; Y73-D88 VanDerWaalsContact CE2-OD1 3.32Å; Y73-D88 WeakPolarHBondContact CE2-OD1 3.16Å; Y73-D88 PolarHBondContact OH-OD1 3.47Å; T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.19Å; D88-C90 VanDerWaalsContact C-N 3.35Å; D88-C90 PolarHBondContact O-N 2.91Å; D88-I91 PolarHBondContact O-N 3.17Å; D88-Q92 WeakPolarHBondContact O-CB 3.43Å; D88-Q92 PolarHBondContact O-N 3.38Å
89	Q	98.8	Very high	97.5	Very high	86 Å²	86	33.2 Å²	33.2	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-64.4	-38.4	175.1	-68.2	166.5	-61.6	0	0	112.1	Y85 T86 L87 I91	Y85-Q89 HydrophobicContact CD1-CB 4.44Å; Y85-Q89 HydrophobicContact CD2-CB 4.15Å; Y85-Q89 HydrophobicContact CE1-CB 3.97Å; Y85-Q89 HydrophobicContact CE2-CB 3.64Å; Y85-Q89 HydrophobicContact CE2-CG 4.31Å; Y85-Q89 PolarHBondContact OH-O 2.88Å; T86-Q89 PolarHBondContact O-N 2.9Å; T86-Q89 VanDerWaalsContact OG1-CG 3.32Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.2Å; T86-Q89 PolarHBondContact OG1-N 3.39Å; T86-Q89 PolarHBondContact OG1-OE1 2.98Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.35Å; Q89-I91 VanDerWaalsContact C-N 3.33Å; Q89-I91 PolarHBondContact O-N 3Å
90	C	98.9	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-45.5	174.2	-74.5	0	0	0	0	112	Y85 T86 L87 D88 M108 V109	Y85-C90 VanDerWaalsContact CE1-SG 3.56Å; T86-C90 PolarHBondContact O-N 3.49Å; T86-C90 VanDerWaalsContact O-N 3.07Å; L87-C90 WeakPolarHBondContact O-CB 3.26Å; L87-C90 PolarHBondContact O-N 3.15Å; L87-C90 VanDerWaalsContact O-N 3.13Å; D88-C90 VanDerWaalsContact C-N 3.35Å; D88-C90 PolarHBondContact O-N 2.91Å; C90-M108 HydrophobicContact CB-CE 4.29Å; C90-M108 CarbonylContact O-C 3.55Å; C90-M108 WeakPolarHBondContact O-CA 3.49Å; C90-M108 VanDerWaalsContact O-CB 3.26Å; C90-M108 WeakPolarHBondContact O-CB 3.45Å; C90-V109 WeakPolarHBondContact CA-O 3Å; C90-V109 WeakPolarHBondContact CB-O 3.35Å; C90-V109 PolarHBondContact O-N 3.14Å; C90-V109 PolarHBondContact SG-O 2.78Å
91	I	98.8	Very high	95.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-92	-11.7	-170.2	70.6	177.1	0	0	0	114.1	P55 M64 L68 Y73 L87 D88 Q89 T93 G94 V95 M108 L122	P55-I91 HydrophobicContact CG-CD1 4.23Å; M64-I91 HydrophobicContact CE-CB 3.99Å; M64-I91 HydrophobicContact CG-CB 4.04Å; M64-I91 HydrophobicContact CG-CG2 3.72Å; M64-I91 HydrophobicContact SD-CB 3.93Å; M64-I91 HydrophobicContact SD-CG2 3.99Å; L68-I91 HydrophobicContact CD2-CD1 4.13Å; Y73-I91 HydrophobicContact CD2-CD1 4.42Å; Y73-I91 HydrophobicContact CE2-CD1 4.1Å; L87-I91 HydrophobicContact CD1-CG2 4.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.47Å; L87-I91 PolarHBondContact O-N 3.04Å; L87-I91 VanDerWaalsContact O-N 3.08Å; D88-I91 PolarHBondContact O-N 3.17Å; Q89-I91 VanDerWaalsContact C-N 3.33Å; Q89-I91 PolarHBondContact O-N 3Å; I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.38Å; I91-G94 WeakPolarHBondContact O-CA 3.48Å; I91-G94 PolarHBondContact O-N 3.2Å; I91-V95 HydrophobicContact CD1-CG2 4.28Å; I91-V95 HydrophobicContact CG1-CG2 4.12Å; I91-V95 PolarHBondContact O-N 3.11Å; I91-M108 HydrophobicContact CG2-CB 4.47Å; I91-L122 HydrophobicContact CG2-CD2 3.69Å
92	Q	98.8	Very high	94.4	Very high	78 Å²	78	43.9 Å²	43.9	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-50.9	-46.6	-171.3	-169.6	64.2	56.8	0	0	112.9	D88 G94 V95 D96	D88-Q92 WeakPolarHBondContact O-CB 3.43Å; D88-Q92 PolarHBondContact O-N 3.38Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 3.5Å; Q92-V95 PolarHBondContact O-N 2.93Å; Q92-V95 VanDerWaalsContact O-N 3.07Å; Q92-D96 PolarHBondContact NE2-OD1 2.95Å; Q92-D96 PolarHBondContact NE2-OD2 2.61Å; Q92-D96 PolarHBondContact O-N 2.97Å
93	T	98.4	Very high	93.4	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.043	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-34.7	178.8	-170	0	0	0	0	112.7	I91 N97 V109 L235 A239	I91-T93 VanDerWaalsContact C-N 3.3Å; I91-T93 PolarHBondContact O-N 3.38Å; T93-N97 WeakPolarHBondContact O-CB 3.4Å; T93-N97 PolarHBondContact O-N 3.28Å; T93-N97 PolarHBondContact O-ND2 2.63Å; T93-V109 HydrophobicContact CG2-CG1 4.27Å; T93-L235 PolarHBondContact OG1-O 3.09Å; T93-A239 HydrophobicContact CG2-CB 4.37Å
94	G	98.4	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-77.8	-26.4	175.7	0	0	0	0	0	113.8	H60 N62 I91 Q92 G107	H60-G94 PolarHBondContact CD2-O 3.36Å; N62-G94 PolarHBondContact ND2-O 2.94Å; I91-G94 WeakPolarHBondContact O-CA 3.48Å; I91-G94 PolarHBondContact O-N 3.2Å; Q92-G94 VanDerWaalsContact C-N 3.26Å; Q92-G94 PolarHBondContact O-N 3.5Å; G94-G107 VanDerWaalsContact CA-CA 3.49Å; G94-G107 WeakPolarHBondContact CA-O 3.45Å; G94-G107 PolarHBondContact N-O 2.98Å
95	V	98.5	Very high	92.7	Very high	38 Å²	38	42 Å²	42	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-45.1	172.4	176.8	0	0	0	0	110	P55 L57 H60 M64 I91 Q92 N97	P55-V95 HydrophobicContact CB-CG1 4.25Å; P55-V95 HydrophobicContact CB-CG2 3.81Å; P55-V95 HydrophobicContact CG-CG2 4.3Å; L57-V95 HydrophobicContact CD2-CG2 4.29Å; H60-V95 PolarHBondContact NE2-O 2.63Å; M64-V95 HydrophobicContact CE-CG2 4.15Å; I91-V95 HydrophobicContact CD1-CG2 4.28Å; I91-V95 HydrophobicContact CG1-CG2 4.12Å; I91-V95 PolarHBondContact O-N 3.11Å; Q92-V95 PolarHBondContact O-N 2.93Å; Q92-V95 VanDerWaalsContact O-N 3.07Å; V95-N97 VanDerWaalsContact C-N 3.35Å; V95-N97 PolarHBondContact O-N 2.86Å
96	D	98.3	Very high	92.6	Very high	76 Å²	76	41.9 Å²	41.9	41%	0.406	23%	0.227	S	C	.	.	H	α-helix	trans	-74.8	-25.6	-177.4	-64	-14.3	0	0	0	112.7	Q92 P98 C238	Q92-D96 PolarHBondContact NE2-OD1 2.95Å; Q92-D96 PolarHBondContact NE2-OD2 2.61Å; Q92-D96 PolarHBondContact O-N 2.97Å; D96-P98 WeakPolarHBondContact O-CD 3.35Å; D96-C238 HydrophobicContact CB-CB 4.06Å
97	N	96.9	Very high	92.6	Very high	16 Å²	16	41.5 Å²	41.5	9%	0.086	23%	0.225	C	C	.	.			trans	-115.7	94.2	-177.5	-60.9	-85.7	0	0	0	111.1	N62 T93 V95 G99 P234 L235	N62-N97 PolarHBondContact ND2-O 2.94Å; T93-N97 WeakPolarHBondContact O-CB 3.4Å; T93-N97 PolarHBondContact O-N 3.28Å; T93-N97 PolarHBondContact O-ND2 2.63Å; V95-N97 VanDerWaalsContact C-N 3.35Å; V95-N97 PolarHBondContact O-N 2.86Å; N97-G99 PolarHBondContact O-N 3.29Å; N97-G99 VanDerWaalsContact O-N 3.15Å; N97-P234 PolarHBondContact ND2-O 3.36Å; N97-P234 VanDerWaalsContact OD1-CB 3.32Å; N97-P234 WeakPolarHBondContact OD1-CB 3.48Å; N97-L235 HydrophobicContact CB-CD2 3.79Å
98	P	94.3	Very high	92.6	Very high	63 Å²	63	41.6 Å²	41.6	41%	0.409	23%	0.226	S	C	.	.	S	Bend	trans	-66.8	-16.4	-177.8	26.4	-34.5	0	0	0	113.7	H60 N61 D96	H60-P98 CarbonylContact C-O 3.53Å; H60-P98 WeakPolarHBondContact CA-O 3.43Å; H60-P98 VanDerWaalsContact CD2-CA 3.45Å; H60-P98 WeakPolarHBondContact CD2-CA 3.22Å; N61-P98 PolarHBondContact N-O 3.01Å; D96-P98 WeakPolarHBondContact O-CD 3.35Å
99	G	87.8	Confident	92.6	Very high	32 Å²	32	40.5 Å²	40.5	33%	0.33	22%	0.221	S	C	.	.			trans	-174.2	-173.9	175.5	0	0	0	0	0	111	N97	N97-G99 PolarHBondContact O-N 3.29Å; N97-G99 VanDerWaalsContact O-N 3.15Å
100	H	81.8	Confident	92.6	Very high	35 Å²	35	36.4 Å²	36.4	16%	0.162	20%	0.201	C	C	.	.			trans	-138.1	142.5	173.8	-171.5	-95.4	0	0	0	109.9	F102 I103 T105 D360	H100-F102 AromaticContact CE1-CD2 3.93Å; H100-F102 PolarHBondContact O-N 3.09Å; H100-F102 VanDerWaalsContact O-N 3.07Å; H100-I103 HydrophobicContact CB-CG1 4.42Å; H100-I103 WeakPolarHBondContact CB-O 3.44Å; H100-T105 HydrophobicContact CB-CG2 3.47Å; H100-T105 VanDerWaalsContact CB-CG2 3.47Å; H100-D360 IonicContact CE1-OD1 3.93Å; H100-D360 PolarHBondContact CE1-OD1 3.08Å; H100-D360 IonicContact NE2-OD1 3.78Å; H100-D360 PolarHBondContact NE2-OD1 3.27Å; H100-D360 VanDerWaalsContact NE2-OD1 3.12Å
101	P	76	Confident	92.6	Very high	114 Å²	114	36.4 Å²	36.4	74%	0.74	20%	0.201	S	C	*	.	S	Bend	trans	-57.7	-29	-171.4	-28.2	35.8	0	0	0	115.3
102	F	71.4	Confident	92.6	Very high	130 Å²	130	36.3 Å²	36.3	57%	0.57	20%	0.201	S	C	*	.	S	Bend	trans	-114.1	-21.7	-170.1	-56.1	-64.5	0	0	0	115.2	H100	H100-F102 AromaticContact CE1-CD2 3.93Å; H100-F102 PolarHBondContact O-N 3.09Å; H100-F102 VanDerWaalsContact O-N 3.07Å
103	I	75.9	Confident	92.6	Very high	44 Å²	44	34.1 Å²	34.1	23%	0.226	19%	0.191	C	C	.	.	S	Bend	trans	-147.6	151.7	-170	59	168.2	0	0	0	111.4	H100 T105 V359	H100-I103 HydrophobicContact CB-CG1 4.42Å; H100-I103 WeakPolarHBondContact CB-O 3.44Å; I103-T105 HydrophobicContact CG1-CG2 4.48Å; I103-T105 PolarHBondContact O-N 3.21Å; I103-V359 HydrophobicContact CD1-CG2 3.78Å
104	K	86.3	Confident	92.6	Very high	92 Å²	92	35.7 Å²	35.7	40%	0.4	20%	0.197	S	C	.	.			trans	-72.7	122.9	164.7	-170.5	176.3	-175.8	176.4	0	109.3	E66	E66-K104 WeakPolarHBondContact OE1-CE 3.23Å; E66-K104 IonicContact OE1-NZ 3.86Å; E66-K104 PolarHBondContact OE1-NZ 3.37Å; E66-K104 IonicContact OE2-NZ 3.65Å; E66-K104 PolarHBondContact OE2-NZ 2.76Å
105	T	92.4	Very high	92.6	Very high	10 Å²	10	35.7 Å²	35.7	6%	0.061	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-90.3	164	-178.2	56.1	0	0	0	0	111.8	N62 C63 H100 I103 L235	N62-T105 WeakPolarHBondContact CA-O 3.36Å; N62-T105 WeakPolarHBondContact CB-O 3.34Å; N62-T105 WeakPolarHBondContact CB-OG1 3.25Å; C63-T105 PolarHBondContact N-O 2.88Å; C63-T105 PolarHBondContact SG-O 2.85Å; H100-T105 HydrophobicContact CB-CG2 3.47Å; H100-T105 VanDerWaalsContact CB-CG2 3.47Å; I103-T105 HydrophobicContact CG1-CG2 4.48Å; I103-T105 PolarHBondContact O-N 3.21Å; T105-L235 HydrophobicContact CG2-CD1 3.79Å; T105-L235 HydrophobicContact CG2-CD2 4.12Å
106	V	96.9	Very high	92.6	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	19%	0.186	C	C	.	.			trans	-73.8	-45.5	175.8	-178.3	0	0	0	0	111.1	C63 M64 M108 V126 R130 P318	C63-V106 CarbonylContact C-O 3.52Å; C63-V106 WeakPolarHBondContact CB-O 3.48Å; C63-V106 PolarHBondContact N-O 3.34Å; M64-V106 WeakPolarHBondContact CB-O 3.35Å; M64-V106 PolarHBondContact N-O 2.88Å; V106-M108 HydrophobicContact CG1-CG 4.06Å; V106-V126 HydrophobicContact CG1-CG1 3.58Å; V106-R130 HydrophobicContact CG2-CG 4Å; V106-P318 HydrophobicContact CG1-CB 3.94Å; V106-P318 HydrophobicContact CG1-CG 3.82Å
107	G	97.8	Very high	92.6	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	19%	0.185	C	C	.	.			trans	80	13.3	179.5	0	0	0	0	0	115.2	M64 G94	M64-G107 WeakPolarHBondContact CB-O 3.4Å; G94-G107 VanDerWaalsContact CA-CA 3.49Å; G94-G107 WeakPolarHBondContact CA-O 3.45Å; G94-G107 PolarHBondContact N-O 2.98Å
108	M	98.8	Very high	92.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.183	C	C	.	.			trans	-154.5	158.9	169.8	64.8	-174.5	-53.4	0	0	112	M64 C90 I91 V106 L122 F123 V126 P318	M64-M108 HydrophobicContact CB-CB 4.19Å; M64-M108 HydrophobicContact CB-CG 4.3Å; M64-M108 HydrophobicContact CB-SD 4.39Å; M64-M108 HydrophobicContact CG-CB 4.09Å; M64-M108 HydrophobicContact CG-SD 4.33Å; C90-M108 HydrophobicContact CB-CE 4.29Å; C90-M108 CarbonylContact O-C 3.55Å; C90-M108 WeakPolarHBondContact O-CA 3.49Å; C90-M108 VanDerWaalsContact O-CB 3.26Å; C90-M108 WeakPolarHBondContact O-CB 3.45Å; I91-M108 HydrophobicContact CG2-CB 4.47Å; V106-M108 HydrophobicContact CG1-CG 4.06Å; M108-L122 HydrophobicContact CE-CB 4.5Å; M108-L122 HydrophobicContact CE-CD2 3.7Å; M108-L122 HydrophobicContact CE-CG 3.89Å; M108-L122 HydrophobicContact SD-CD2 4.19Å; M108-L122 HydrophobicContact SD-CG 4.01Å; M108-F123 HydrophobicContact CE-CD1 3.62Å; M108-F123 HydrophobicContact CE-CD2 3.93Å; M108-F123 HydrophobicContact CE-CE1 3.46Å; M108-F123 VanDerWaalsContact CE-CE1 3.46Å; M108-F123 HydrophobicContact CE-CE2 3.76Å; M108-F123 HydrophobicContact CE-CG 3.87Å; M108-F123 HydrophobicContact CE-CZ 3.53Å; M108-F123 HydrophobicContact CG-CE1 4.19Å; M108-F123 HydrophobicContact SD-CD1 3.98Å; M108-F123 HydrophobicContact SD-CE1 4.1Å; M108-V126 HydrophobicContact CG-CG1 4.29Å; M108-V126 HydrophobicContact SD-CB 4.02Å; M108-V126 HydrophobicContact SD-CG1 3.94Å; M108-V126 HydrophobicContact SD-CG2 3.78Å; M108-P318 HydrophobicContact CG-CG 4.2Å; M108-P318 VanDerWaalsContact O-CD 3.27Å; M108-P318 WeakPolarHBondContact O-CD 3.45Å
109	V	98.9	Very high	92.9	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.055	16%	0.164	C	C	.	.			trans	-133.9	156.5	178.7	-65.4	0	0	0	0	111.5	C90 T93 P178 A239 T316	C90-V109 WeakPolarHBondContact CA-O 3Å; C90-V109 WeakPolarHBondContact CB-O 3.35Å; C90-V109 PolarHBondContact O-N 3.14Å; C90-V109 PolarHBondContact SG-O 2.78Å; T93-V109 HydrophobicContact CG2-CG1 4.27Å; V109-P178 HydrophobicContact CB-CG 4.11Å; V109-P178 HydrophobicContact CG2-CB 4.13Å; V109-P178 HydrophobicContact CG2-CG 3.85Å; V109-A239 HydrophobicContact CG1-CB 4.12Å; V109-A239 HydrophobicContact CG2-CB 4.11Å; V109-T316 WeakPolarHBondContact CA-O 3.33Å; V109-T316 HydrophobicContact CB-CG2 4.14Å; V109-T316 HydrophobicContact CG1-CG2 4.32Å
110	A	98.9	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.			trans	-93.7	139	169.1	0	0	0	0	0	110.6	Y116 F123 L176 T316	A110-Y116 HydrophobicContact CB-CD2 3.85Å; A110-Y116 HydrophobicContact CB-CE2 3.29Å; A110-F123 HydrophobicContact CB-CZ 4.13Å; A110-L176 HydrophobicContact CB-CD1 3.83Å; A110-T316 PolarHBondContact N-O 3.17Å
111	G	98.8	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-92.1	-22.4	175.1	0	0	0	0	0	113.3	Y85 S115 S175 L176 A179	Y85-G111 VanDerWaalsContact CE1-CA 3.42Å; G111-S115 PolarHBondContact N-OG 3.41Å; G111-S175 CarbonylContact O-C 3.52Å; G111-L176 WeakPolarHBondContact O-CB 3.49Å; G111-L176 PolarHBondContact O-N 3.15Å; G111-A179 WeakPolarHBondContact O-CB 3.45Å
112	D	98.8	Very high	95.3	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.011	13%	0.13	C	C	.	.	S	Bend	trans	-157.6	176.9	-179	49.1	31.5	0	0	0	110	T81 E114 S115	T81-D112 WeakPolarHBondContact CB-OD2 3.37Å; T81-D112 VanDerWaalsContact CG2-OD1 3.31Å; T81-D112 WeakPolarHBondContact CG2-OD1 3.23Å; T81-D112 PolarHBondContact OG1-OD2 3.3Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 2.77Å; D112-S115 PolarHBondContact N-OG 3.32Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 2.79Å; D112-S115 PolarHBondContact O-OG 3.33Å; D112-S115 WeakPolarHBondContact OD1-CB 3.32Å; D112-S115 PolarHBondContact OD1-N 3.3Å; D112-S115 PolarHBondContact OD1-OG 3.06Å
113	E	98.8	Very high	96.6	Very high	32 Å²	32	20 Å²	20	15%	0.15	10%	0.102	C	C	.	.	S	Bend	trans	-62.7	-40.2	-178.5	-165.3	170.2	-176.3	0	0	110.8	S115 Y116 R172 M306 I314	E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 3.24Å; E113-Y116 PolarHBondContact O-N 2.89Å; E113-R172 IonicContact OE1-CZ 3.24Å; E113-R172 IonicContact OE1-NE 2.81Å; E113-R172 PolarHBondContact OE1-NE 2.78Å; E113-R172 IonicContact OE1-NH2 3.7Å; E113-R172 PolarHBondContact OE1-NH2 3.23Å; E113-R172 IonicContact OE2-CZ 3.86Å; E113-R172 IonicContact OE2-NE 2.67Å; E113-R172 PolarHBondContact OE2-NE 2.8Å; E113-R172 IonicContact OE2-NH2 2.8Å; E113-M306 HydrophobicContact CB-CE 4.25Å; E113-M306 HydrophobicContact CB-CG 4.37Å; E113-M306 HydrophobicContact CB-SD 3.85Å; E113-M306 HydrophobicContact CG-CB 4.26Å; E113-M306 HydrophobicContact CG-CG 4.26Å; E113-M306 HydrophobicContact CG-SD 4.2Å; E113-I314 HydrophobicContact CG-CD1 3.5Å; E113-I314 VanDerWaalsContact CG-CD1 3.5Å
114	E	98.7	Very high	97.7	Very high	39 Å²	39	18.6 Å²	18.6	18%	0.182	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.6	-176.7	-63.8	84	175.4	0	0	113.2	A39 P82 D112 Y116 E117 V118	A39-E114 HydrophobicContact CB-CB 3.96Å; A39-E114 HydrophobicContact CB-CG 3.97Å; P82-E114 HydrophobicContact CG-CB 4.44Å; P82-E114 HydrophobicContact CG-CG 3.96Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 2.77Å; E114-Y116 PolarHBondContact O-N 3.04Å; E114-Y116 VanDerWaalsContact O-N 3.16Å; E114-E117 PolarHBondContact O-N 2.98Å; E114-V118 HydrophobicContact CB-CG2 4.44Å; E114-V118 WeakPolarHBondContact O-CG2 3.33Å; E114-V118 PolarHBondContact O-N 2.67Å
115	S	98.8	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-50.4	-40.6	174.6	-68.2	0	0	0	0	111.8	G111 D112 E113 E117 F119 F123	G111-S115 PolarHBondContact N-OG 3.41Å; D112-S115 PolarHBondContact N-OG 3.32Å; D112-S115 WeakPolarHBondContact O-CB 3.49Å; D112-S115 PolarHBondContact O-N 2.79Å; D112-S115 PolarHBondContact O-OG 3.33Å; D112-S115 WeakPolarHBondContact OD1-CB 3.32Å; D112-S115 PolarHBondContact OD1-N 3.3Å; D112-S115 PolarHBondContact OD1-OG 3.06Å; E113-S115 VanDerWaalsContact C-N 3.3Å; E113-S115 PolarHBondContact O-N 3.24Å; S115-E117 PolarHBondContact O-N 3.48Å; S115-F119 WeakPolarHBondContact O-CB 3.49Å; S115-F119 WeakPolarHBondContact O-CD2 3.48Å; S115-F119 PolarHBondContact O-N 3.15Å; S115-F119 VanDerWaalsContact O-N 3.09Å; S115-F123 WeakPolarHBondContact O-CD2 3.31Å; S115-F123 VanDerWaalsContact O-CE2 3.25Å; S115-F123 WeakPolarHBondContact O-CE2 3.43Å
116	Y	98.8	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71	-15.4	179.7	-76.4	-72.1	0	0	0	114.3	A110 E113 E114 F123 I127 R310 L311 I314 L315 P318 L321	A110-Y116 HydrophobicContact CB-CD2 3.85Å; A110-Y116 HydrophobicContact CB-CE2 3.29Å; E113-Y116 PolarHBondContact O-N 2.89Å; E114-Y116 PolarHBondContact O-N 3.04Å; E114-Y116 VanDerWaalsContact O-N 3.16Å; Y116-F123 HydrophobicContact CD1-CB 4.19Å; Y116-F123 AromaticContact CD1-CD1 3.65Å; Y116-F123 HydrophobicContact CD1-CD1 3.65Å; Y116-F123 HydrophobicContact CD1-CD2 4.29Å; Y116-F123 HydrophobicContact CD1-CE1 4.02Å; Y116-F123 AromaticContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CZ 4.49Å; Y116-F123 AromaticContact CE1-CD1 3.5Å; Y116-F123 HydrophobicContact CE1-CD1 3.5Å; Y116-F123 AromaticContact CE1-CE1 3.65Å; Y116-F123 HydrophobicContact CE1-CE1 3.65Å; Y116-F123 HydrophobicContact CE1-CG 4.15Å; Y116-F123 HydrophobicContact CE1-CZ 4.41Å; Y116-I127 HydrophobicContact CD1-CD1 4.27Å; Y116-I127 HydrophobicContact CE1-CD1 4.34Å; Y116-R310 PolarHBondContact O-NH2 3.07Å; Y116-L311 HydrophobicContact CD1-CD1 3.8Å; Y116-L311 HydrophobicContact CD2-CD1 4.39Å; Y116-L311 HydrophobicContact CG-CD1 3.71Å; Y116-I314 HydrophobicContact CD2-CG2 3.7Å; Y116-I314 HydrophobicContact CE2-CG2 3.59Å; Y116-L315 WeakPolarHBondContact CE2-O 3.5Å; Y116-L315 PolarHBondContact OH-O 3.41Å; Y116-P318 HydrophobicContact CE1-CG 4.22Å; Y116-L321 HydrophobicContact CD1-CD1 4.33Å; Y116-L321 HydrophobicContact CE1-CD1 3.71Å; Y116-L321 HydrophobicContact CE1-CD2 4.11Å; Y116-L321 HydrophobicContact CE1-CG 4.32Å; Y116-L321 HydrophobicContact CE2-CD2 4.13Å
117	E	98.5	Very high	98.7	Very high	81 Å²	81	14.9 Å²	14.9	38%	0.379	8%	0.081	S	C	.	.	H	α-helix	trans	-98.9	-51.7	175.2	-176.5	176.3	-161.6	0	0	110.8	A39 E114 S115 F119 A120	A39-E117 HydrophobicContact CB-CB 4.42Å; A39-E117 HydrophobicContact CB-CG 4.33Å; A39-E117 VanDerWaalsContact CB-OE2 3.28Å; A39-E117 WeakPolarHBondContact CB-OE2 3.31Å; A39-E117 PolarHBondContact N-OE2 3.43Å; E114-E117 PolarHBondContact O-N 2.98Å; S115-E117 PolarHBondContact O-N 3.48Å; E117-F119 VanDerWaalsContact C-N 3.27Å; E117-F119 PolarHBondContact O-N 3.24Å; E117-A120 VanDerWaalsContact O-CB 3.27Å; E117-A120 WeakPolarHBondContact O-CB 3.34Å; E117-A120 PolarHBondContact O-N 2.79Å
118	V	98.6	Very high	98.6	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.048	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-38.5	-177.8	176.6	0	0	0	0	111.6	A39 K79 T81 E114	A39-V118 HydrophobicContact CB-CG2 3.69Å; K79-V118 HydrophobicContact CB-CG1 3.83Å; T81-V118 HydrophobicContact CG2-CB 4.4Å; T81-V118 HydrophobicContact CG2-CG2 4.35Å; E114-V118 HydrophobicContact CB-CG2 4.44Å; E114-V118 WeakPolarHBondContact O-CG2 3.33Å; E114-V118 PolarHBondContact O-N 2.67Å
119	F	98.8	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	25.3	-179.6	-46.8	-65.6	0	0	0	112.7	L76 K79 T81 L87 S115 E117 D121 L122 F123	L76-F119 HydrophobicContact CB-CD1 4.34Å; L76-F119 HydrophobicContact CD1-CB 4.3Å; L76-F119 HydrophobicContact CD1-CD1 4.49Å; K79-F119 HydrophobicContact CB-CE1 3.96Å; K79-F119 WeakPolarHBondContact O-CE1 3.46Å; T81-F119 HydrophobicContact CG2-CE2 3.68Å; T81-F119 HydrophobicContact CG2-CZ 4.23Å; L87-F119 HydrophobicContact CB-CD1 4.09Å; L87-F119 HydrophobicContact CB-CE1 3.93Å; L87-F119 HydrophobicContact CD1-CB 4.43Å; L87-F119 HydrophobicContact CD1-CD1 4.09Å; L87-F119 HydrophobicContact CD1-CG 4.37Å; S115-F119 WeakPolarHBondContact O-CB 3.49Å; S115-F119 WeakPolarHBondContact O-CD2 3.48Å; S115-F119 PolarHBondContact O-N 3.15Å; S115-F119 VanDerWaalsContact O-N 3.09Å; E117-F119 VanDerWaalsContact C-N 3.27Å; E117-F119 PolarHBondContact O-N 3.24Å; F119-D121 PolarHBondContact O-N 3.05Å; F119-L122 PolarHBondContact O-N 3.02Å; F119-F123 HydrophobicContact CB-CD2 3.76Å; F119-F123 HydrophobicContact CB-CE2 3.85Å; F119-F123 HydrophobicContact CD2-CE2 4.24Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 3.15Å
120	A	98.7	Very high	98.2	Very high	18 Å²	18	23.1 Å²	23.1	15%	0.149	12%	0.116	C	C	.	.	H	α-helix	trans	-54.8	-35.3	-176.5	0	0	0	0	0	113.5	E117 L122 F123 D124	E117-A120 VanDerWaalsContact O-CB 3.27Å; E117-A120 WeakPolarHBondContact O-CB 3.34Å; E117-A120 PolarHBondContact O-N 2.79Å; A120-L122 PolarHBondContact O-N 3.04Å; A120-F123 PolarHBondContact O-N 3.04Å; A120-D124 VanDerWaalsContact O-CB 3.24Å; A120-D124 WeakPolarHBondContact O-CB 3.38Å; A120-D124 VanDerWaalsContact O-CG 3.29Å; A120-D124 PolarHBondContact O-N 2.91Å
121	D	98.7	Very high	97.9	Very high	68 Å²	68	23.3 Å²	23.3	36%	0.364	12%	0.117	S	C	.	.	H	α-helix	trans	-59.4	-22.3	178.3	-71.5	-15.7	0	0	0	113.6	K75 L76 F119 P125	K75-D121 VanDerWaalsContact CD-OD2 3.29Å; K75-D121 WeakPolarHBondContact CD-OD2 3.29Å; K75-D121 WeakPolarHBondContact CE-OD2 3.27Å; K75-D121 IonicContact NZ-OD1 2.67Å; K75-D121 IonicContact NZ-OD2 2.81Å; K75-D121 PolarHBondContact NZ-OD2 3.48Å; L76-D121 HydrophobicContact CD1-CB 4.13Å; L76-D121 HydrophobicContact CD2-CB 4.43Å; F119-D121 PolarHBondContact O-N 3.05Å; D121-P125 WeakPolarHBondContact O-CD 3.4Å; D121-P125 WeakPolarHBondContact O-CG 3.37Å
122	L	98.8	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-101.5	-43	171	-176.5	61.6	0	0	0	112.3	M64 C67 L68 I72 L76 L87 I91 M108 F119 A120 D124 P125 V126	M64-L122 HydrophobicContact CG-CD2 4.4Å; C67-L122 HydrophobicContact CB-CD1 4.2Å; L68-L122 HydrophobicContact CB-CD1 4.16Å; L68-L122 HydrophobicContact CD1-CD1 3.98Å; L68-L122 HydrophobicContact CD1-CD2 3.92Å; I72-L122 HydrophobicContact CG2-CB 4.02Å; I72-L122 HydrophobicContact CG2-CD1 4.43Å; L76-L122 HydrophobicContact CD1-CB 4.06Å; L87-L122 HydrophobicContact CD1-CD2 3.77Å; I91-L122 HydrophobicContact CG2-CD2 3.69Å; M108-L122 HydrophobicContact CE-CB 4.5Å; M108-L122 HydrophobicContact CE-CD2 3.7Å; M108-L122 HydrophobicContact CE-CG 3.89Å; M108-L122 HydrophobicContact SD-CD2 4.19Å; M108-L122 HydrophobicContact SD-CG 4.01Å; F119-L122 PolarHBondContact O-N 3.02Å; A120-L122 PolarHBondContact O-N 3.04Å; L122-D124 PolarHBondContact O-N 3.39Å; L122-P125 VanDerWaalsContact O-CD 3.27Å; L122-P125 WeakPolarHBondContact O-CD 3.45Å; L122-P125 VanDerWaalsContact O-CG 3.29Å; L122-P125 WeakPolarHBondContact O-CG 3.2Å; L122-V126 HydrophobicContact CD1-CG2 4.29Å; L122-V126 WeakPolarHBondContact O-CB 3.17Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.69Å
123	F	98.8	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-44.4	-179.2	-84.4	-72.1	0	0	0	112.4	M108 A110 S115 Y116 F119 A120 V126 I127 P318	M108-F123 HydrophobicContact CE-CD1 3.62Å; M108-F123 HydrophobicContact CE-CD2 3.93Å; M108-F123 HydrophobicContact CE-CE1 3.46Å; M108-F123 VanDerWaalsContact CE-CE1 3.46Å; M108-F123 HydrophobicContact CE-CE2 3.76Å; M108-F123 HydrophobicContact CE-CG 3.87Å; M108-F123 HydrophobicContact CE-CZ 3.53Å; M108-F123 HydrophobicContact CG-CE1 4.19Å; M108-F123 HydrophobicContact SD-CD1 3.98Å; M108-F123 HydrophobicContact SD-CE1 4.1Å; A110-F123 HydrophobicContact CB-CZ 4.13Å; S115-F123 WeakPolarHBondContact O-CD2 3.31Å; S115-F123 VanDerWaalsContact O-CE2 3.25Å; S115-F123 WeakPolarHBondContact O-CE2 3.43Å; Y116-F123 HydrophobicContact CD1-CB 4.19Å; Y116-F123 AromaticContact CD1-CD1 3.65Å; Y116-F123 HydrophobicContact CD1-CD1 3.65Å; Y116-F123 HydrophobicContact CD1-CD2 4.29Å; Y116-F123 HydrophobicContact CD1-CE1 4.02Å; Y116-F123 AromaticContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CG 3.8Å; Y116-F123 HydrophobicContact CD1-CZ 4.49Å; Y116-F123 AromaticContact CE1-CD1 3.5Å; Y116-F123 HydrophobicContact CE1-CD1 3.5Å; Y116-F123 AromaticContact CE1-CE1 3.65Å; Y116-F123 HydrophobicContact CE1-CE1 3.65Å; Y116-F123 HydrophobicContact CE1-CG 4.15Å; Y116-F123 HydrophobicContact CE1-CZ 4.41Å; F119-F123 HydrophobicContact CB-CD2 3.76Å; F119-F123 HydrophobicContact CB-CE2 3.85Å; F119-F123 HydrophobicContact CD2-CE2 4.24Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 3.15Å; A120-F123 PolarHBondContact O-N 3.04Å; F123-V126 PolarHBondContact O-N 3.19Å; F123-I127 HydrophobicContact CB-CD1 4.18Å; F123-I127 WeakPolarHBondContact O-CB 3.27Å; F123-I127 WeakPolarHBondContact O-CD1 3.33Å; F123-I127 WeakPolarHBondContact O-CG1 3.08Å; F123-I127 PolarHBondContact O-N 2.86Å; F123-P318 HydrophobicContact CD1-CG 3.81Å; F123-P318 HydrophobicContact CE1-CG 3.7Å
124	D	98.7	Very high	97.1	Very high	14 Å²	14	26 Å²	26	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-49	-176.1	-69.1	-11.2	0	0	0	113.4	A120 L122 V126 I127 K128 P136 R137 R310	A120-D124 VanDerWaalsContact O-CB 3.24Å; A120-D124 WeakPolarHBondContact O-CB 3.38Å; A120-D124 VanDerWaalsContact O-CG 3.29Å; A120-D124 PolarHBondContact O-N 2.91Å; L122-D124 PolarHBondContact O-N 3.39Å; D124-V126 VanDerWaalsContact C-N 3.34Å; D124-V126 PolarHBondContact O-N 3.13Å; D124-I127 PolarHBondContact O-N 3.34Å; D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 PolarHBondContact O-N 2.6Å; D124-P136 HydrophobicContact CB-CG 3.86Å; D124-P136 VanDerWaalsContact OD1-CG 3.31Å; D124-P136 WeakPolarHBondContact OD1-CG 3.21Å; D124-R137 HydrophobicContact CB-CG 4.13Å; D124-R137 WeakPolarHBondContact OD2-CG 3.23Å; D124-R310 IonicContact OD1-NH1 3.15Å; D124-R310 PolarHBondContact OD1-NH1 3.15Å
125	P	98.6	Very high	97	Very high	33 Å²	33	24.8 Å²	24.8	21%	0.214	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-35.1	174.5	23.9	-32.5	0	0	0	112.8	C67 D121 L122 K128 L129	C67-P125 HydrophobicContact CB-CB 4.28Å; C67-P125 HydrophobicContact CB-CG 4.34Å; D121-P125 WeakPolarHBondContact O-CD 3.4Å; D121-P125 WeakPolarHBondContact O-CG 3.37Å; L122-P125 VanDerWaalsContact O-CD 3.27Å; L122-P125 WeakPolarHBondContact O-CD 3.45Å; L122-P125 VanDerWaalsContact O-CG 3.29Å; L122-P125 WeakPolarHBondContact O-CG 3.2Å; P125-K128 PolarHBondContact O-N 3.41Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.18Å
126	V	98.6	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-42.9	175.7	168.3	0	0	0	0	111.6	C63 C67 V106 M108 L122 F123 D124 L129 R130	C63-V126 HydrophobicContact CB-CG1 3.93Å; C67-V126 HydrophobicContact CB-CG2 3.65Å; V106-V126 HydrophobicContact CG1-CG1 3.58Å; M108-V126 HydrophobicContact CG-CG1 4.29Å; M108-V126 HydrophobicContact SD-CB 4.02Å; M108-V126 HydrophobicContact SD-CG1 3.94Å; M108-V126 HydrophobicContact SD-CG2 3.78Å; L122-V126 HydrophobicContact CD1-CG2 4.29Å; L122-V126 WeakPolarHBondContact O-CB 3.17Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 2.69Å; F123-V126 PolarHBondContact O-N 3.19Å; D124-V126 VanDerWaalsContact C-N 3.34Å; D124-V126 PolarHBondContact O-N 3.13Å; V126-L129 PolarHBondContact O-N 3.05Å; V126-R130 VanDerWaalsContact O-CB 3.3Å; V126-R130 WeakPolarHBondContact O-CB 3.46Å; V126-R130 PolarHBondContact O-N 2.82Å
127	I	98.3	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-47.7	175.1	-71.1	164.2	0	0	0	109.3	Y116 F123 D124 L129 R130 H131 Y134 P136 L311 P318 L321	Y116-I127 HydrophobicContact CD1-CD1 4.27Å; Y116-I127 HydrophobicContact CE1-CD1 4.34Å; F123-I127 HydrophobicContact CB-CD1 4.18Å; F123-I127 WeakPolarHBondContact O-CB 3.27Å; F123-I127 WeakPolarHBondContact O-CD1 3.33Å; F123-I127 WeakPolarHBondContact O-CG1 3.08Å; F123-I127 PolarHBondContact O-N 2.86Å; D124-I127 PolarHBondContact O-N 3.34Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.03Å; I127-R130 PolarHBondContact O-N 3.32Å; I127-H131 WeakPolarHBondContact O-CB 3.48Å; I127-H131 PolarHBondContact O-CD2 2.76Å; I127-H131 PolarHBondContact O-N 3.45Å; I127-Y134 HydrophobicContact CG2-CD1 4.18Å; I127-P136 HydrophobicContact CB-CG 4.35Å; I127-P136 HydrophobicContact CD1-CG 4.39Å; I127-P136 HydrophobicContact CG2-CG 4.08Å; I127-L311 HydrophobicContact CD1-CD2 4.01Å; I127-P318 HydrophobicContact CG1-CB 4.15Å; I127-L321 HydrophobicContact CD1-CD1 3.46Å; I127-L321 VanDerWaalsContact CD1-CD1 3.46Å; I127-L321 HydrophobicContact CG1-CD1 3.73Å
128	K	97.3	Very high	96.9	Very high	79 Å²	79	33.5 Å²	33.5	34%	0.343	18%	0.176	S	C	.	.	H	α-helix	trans	-59.4	-44.1	177.4	-174	178.4	-172	163.9	0	112.4	D124 P125 N132 G133 Y134 D135	D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 PolarHBondContact O-N 2.6Å; P125-K128 PolarHBondContact O-N 3.41Å; K128-N132 PolarHBondContact O-N 2.79Å; K128-G133 PolarHBondContact O-N 3.29Å; K128-Y134 WeakPolarHBondContact CA-O 3.44Å; K128-D135 HydrophobicContact CD-CB 4.12Å; K128-D135 WeakPolarHBondContact CD-OD2 3.39Å; K128-D135 WeakPolarHBondContact CE-OD2 3.38Å; K128-D135 HydrophobicContact CG-CB 4.47Å; K128-D135 IonicContact NZ-OD2 3.29Å; K128-D135 PolarHBondContact NZ-OD2 2.79Å
129	L	94.8	Very high	96.8	Very high	68 Å²	68	36.1 Å²	36.1	36%	0.356	19%	0.188	S	C	.	.	H	α-helix	trans	-65.3	-48.2	177.4	179.6	59.9	0	0	0	111.3	C63 E66 P125 V126 I127 H131 N132	C63-L129 HydrophobicContact CB-CD2 3.91Å; C63-L129 HydrophobicContact CB-CG 4.48Å; E66-L129 HydrophobicContact CB-CD2 4.07Å; E66-L129 WeakPolarHBondContact OE2-CD2 3.3Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.18Å; V126-L129 PolarHBondContact O-N 3.05Å; I127-L129 VanDerWaalsContact C-N 3.34Å; I127-L129 PolarHBondContact O-N 3.03Å; L129-H131 PolarHBondContact O-N 2.78Å; L129-N132 PolarHBondContact O-N 3.36Å
130	R	93.4	Very high	96.7	Very high	44 Å²	44	42.3 Å²	42.3	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-37.1	-175.7	178.8	58	-172	82.8	1.3	112.8	V106 V126 I127 N132	V106-R130 HydrophobicContact CG2-CG 4Å; V126-R130 VanDerWaalsContact O-CB 3.3Å; V126-R130 WeakPolarHBondContact O-CB 3.46Å; V126-R130 PolarHBondContact O-N 2.82Å; I127-R130 PolarHBondContact O-N 3.32Å; R130-N132 VanDerWaalsContact C-N 3.33Å
131	H	92.9	Very high	96.6	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.014	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	31.1	-178.6	-62.3	-77.6	0	0	0	112.1	I127 L129 G133 Y134 P318 S319 I376	I127-H131 WeakPolarHBondContact O-CB 3.48Å; I127-H131 PolarHBondContact O-CD2 2.76Å; I127-H131 PolarHBondContact O-N 3.45Å; L129-H131 PolarHBondContact O-N 2.78Å; H131-G133 PolarHBondContact O-N 3.19Å; H131-Y134 PolarHBondContact O-N 3.28Å; H131-P318 PolarHBondContact NE2-O 3.33Å; H131-S319 PolarHBondContact CE1-O 3.44Å; H131-I376 HydrophobicContact CB-CG2 3.45Å; H131-I376 VanDerWaalsContact CB-CG2 3.45Å
132	N	88.3	Confident	96.5	Very high	65 Å²	65	43.4 Å²	43.4	35%	0.348	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	61.7	165.7	-154.5	22.3	0	0	0	111	K128 L129 R130 R350 Q415 F416	K128-N132 PolarHBondContact O-N 2.79Å; L129-N132 PolarHBondContact O-N 3.36Å; R130-N132 VanDerWaalsContact C-N 3.33Å; N132-R350 PolarHBondContact ND2-NH1 3.44Å; N132-R350 PolarHBondContact ND2-NH2 3.24Å; N132-Q415 VanDerWaalsContact C-NE2 3.31Å; N132-Q415 PolarHBondContact ND2-NE2 3.24Å; N132-Q415 VanDerWaalsContact O-CG 3.32Å; N132-Q415 WeakPolarHBondContact O-CG 3.32Å; N132-Q415 PolarHBondContact O-NE2 3.19Å; N132-Q415 PolarHBondContact OD1-NE2 2.97Å; N132-F416 WeakPolarHBondContact O-CZ 3.44Å
133	G	93.7	Very high	96.4	Very high	25 Å²	25	45.5 Å²	45.5	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-7.3	173.9	0	0	0	0	0	116.6	K128 H131 D135 F416	K128-G133 PolarHBondContact O-N 3.29Å; H131-G133 PolarHBondContact O-N 3.19Å; G133-D135 PolarHBondContact O-N 2.84Å; G133-F416 VanDerWaalsContact C-CZ 3.44Å
134	Y	96.7	Very high	96.4	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	24%	0.243	C	C	.	.			trans	-62.3	111.5	173.6	-178.9	-92	0	0	0	109.6	I127 K128 H131 P136 M139 H141 R310 I376 F416	I127-Y134 HydrophobicContact CG2-CD1 4.18Å; K128-Y134 WeakPolarHBondContact CA-O 3.44Å; H131-Y134 PolarHBondContact O-N 3.28Å; Y134-P136 HydrophobicContact CE1-CB 4.13Å; Y134-P136 WeakPolarHBondContact O-CD 3.46Å; Y134-M139 HydrophobicContact CD2-CB 4.17Å; Y134-M139 HydrophobicContact CD2-SD 3.89Å; Y134-M139 HydrophobicContact CE2-CB 3.7Å; Y134-M139 HydrophobicContact CE2-SD 4.35Å; Y134-M139 HydrophobicContact CG-SD 4.41Å; Y134-H141 PolarHBondContact OH-N 3.13Å; Y134-R310 WeakPolarHBondContact CE1-O 3.44Å; Y134-R310 PolarHBondContact OH-O 2.95Å; Y134-I376 HydrophobicContact CD1-CB 4.47Å; Y134-I376 HydrophobicContact CD1-CD1 3.73Å; Y134-I376 HydrophobicContact CD1-CG1 3.9Å; Y134-I376 HydrophobicContact CD1-CG2 3.74Å; Y134-I376 HydrophobicContact CD2-CG1 4.29Å; Y134-I376 HydrophobicContact CD2-CG2 4.35Å; Y134-I376 HydrophobicContact CE1-CD1 3.27Å; Y134-I376 HydrophobicContact CE1-CG1 3.64Å; Y134-I376 HydrophobicContact CE1-CG2 4.36Å; Y134-I376 HydrophobicContact CE2-CG1 4.03Å; Y134-I376 HydrophobicContact CG-CG1 4.22Å; Y134-I376 HydrophobicContact CG-CG2 3.73Å; Y134-F416 HydrophobicContact CD2-CE1 4.41Å
135	D	97.6	Very high	96.4	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.064	24%	0.244	C	C	.	.			trans	-105.4	101.6	-174.1	-165.1	-29.9	0	0	0	110.1	K128 G133 R137 V138 M139	K128-D135 HydrophobicContact CD-CB 4.12Å; K128-D135 WeakPolarHBondContact CD-OD2 3.39Å; K128-D135 WeakPolarHBondContact CE-OD2 3.38Å; K128-D135 HydrophobicContact CG-CB 4.47Å; K128-D135 IonicContact NZ-OD2 3.29Å; K128-D135 PolarHBondContact NZ-OD2 2.79Å; G133-D135 PolarHBondContact O-N 2.84Å; D135-R137 PolarHBondContact O-N 2.93Å; D135-R137 WeakPolarHBondContact OD1-CB 3.3Å; D135-R137 IonicContact OD1-CZ 3.96Å; D135-R137 PolarHBondContact OD1-N 3.12Å; D135-R137 IonicContact OD1-NE 2.6Å; D135-R137 PolarHBondContact OD1-NE 3.48Å; D135-R137 IonicContact OD1-NH2 3.82Å; D135-R137 PolarHBondContact OD1-NH2 3.25Å; D135-R137 IonicContact OD2-CZ 3.75Å; D135-R137 IonicContact OD2-NE 3.07Å; D135-R137 IonicContact OD2-NH2 2.72Å; D135-R137 PolarHBondContact OD2-NH2 3.28Å; D135-V138 HydrophobicContact CB-CG2 3.82Å; D135-V138 PolarHBondContact O-N 2.88Å; D135-V138 VanDerWaalsContact O-N 3.07Å; D135-M139 HydrophobicContact CB-CE 4.37Å; D135-M139 PolarHBondContact N-SD 2.9Å; D135-M139 VanDerWaalsContact O-CB 3.31Å; D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 WeakPolarHBondContact O-CG 3.43Å; D135-M139 PolarHBondContact O-N 3.32Å
136	P	97.5	Very high	96.4	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.032	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.1	-174.2	28.5	-36.9	0	0	0	113.6	D124 I127 Y134 L311	D124-P136 HydrophobicContact CB-CG 3.86Å; D124-P136 VanDerWaalsContact OD1-CG 3.31Å; D124-P136 WeakPolarHBondContact OD1-CG 3.21Å; I127-P136 HydrophobicContact CB-CG 4.35Å; I127-P136 HydrophobicContact CD1-CG 4.39Å; I127-P136 HydrophobicContact CG2-CG 4.08Å; Y134-P136 HydrophobicContact CE1-CB 4.13Å; Y134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-L311 HydrophobicContact CB-CD2 3.61Å; P136-L311 HydrophobicContact CG-CD2 4.41Å
137	R	97.6	Very high	96.4	Very high	142 Å²	142	48.9 Å²	48.9	54%	0.536	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-24.7	176.8	-60.8	168.8	-67.3	-168.6	-0.7	112.8	D124 D135	D124-R137 HydrophobicContact CB-CG 4.13Å; D124-R137 WeakPolarHBondContact OD2-CG 3.23Å; D135-R137 PolarHBondContact O-N 2.93Å; D135-R137 WeakPolarHBondContact OD1-CB 3.3Å; D135-R137 IonicContact OD1-CZ 3.96Å; D135-R137 PolarHBondContact OD1-N 3.12Å; D135-R137 IonicContact OD1-NE 2.6Å; D135-R137 PolarHBondContact OD1-NE 3.48Å; D135-R137 IonicContact OD1-NH2 3.82Å; D135-R137 PolarHBondContact OD1-NH2 3.25Å; D135-R137 IonicContact OD2-CZ 3.75Å; D135-R137 IonicContact OD2-NE 3.07Å; D135-R137 IonicContact OD2-NH2 2.72Å; D135-R137 PolarHBondContact OD2-NH2 3.28Å
138	V	97.8	Very high	96.4	Very high	118 Å²	118	52.7 Å²	52.7	72%	0.715	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-7.8	-172.6	-59.8	0	0	0	0	113.5	D135	D135-V138 HydrophobicContact CB-CG2 3.82Å; D135-V138 PolarHBondContact O-N 2.88Å; D135-V138 VanDerWaalsContact O-N 3.07Å
139	M	96.9	Very high	96.4	Very high	62 Å²	62	53.7 Å²	53.7	31%	0.305	28%	0.283	S	S	.	.			trans	-112.4	158.1	178.6	-56.5	-171.5	-174.5	0	0	111.1	Y134 D135 F416	Y134-M139 HydrophobicContact CD2-CB 4.17Å; Y134-M139 HydrophobicContact CD2-SD 3.89Å; Y134-M139 HydrophobicContact CE2-CB 3.7Å; Y134-M139 HydrophobicContact CE2-SD 4.35Å; Y134-M139 HydrophobicContact CG-SD 4.41Å; D135-M139 HydrophobicContact CB-CE 4.37Å; D135-M139 PolarHBondContact N-SD 2.9Å; D135-M139 VanDerWaalsContact O-CB 3.31Å; D135-M139 WeakPolarHBondContact O-CB 3.45Å; D135-M139 WeakPolarHBondContact O-CG 3.43Å; D135-M139 PolarHBondContact O-N 3.32Å; M139-F416 HydrophobicContact CE-CE2 4.12Å; M139-F416 HydrophobicContact CE-CZ 4.34Å; M139-F416 HydrophobicContact SD-CZ 4.39Å
140	K	96.8	Very high	96.6	Very high	131 Å²	131	50.4 Å²	50.4	57%	0.57	27%	0.266	S	S	*	.			trans	-120.3	154.9	171.5	-63.7	-171.3	179.2	-165.2	0	109.5	E309	K140-E309 CarbonylContact C-O 3.55Å; K140-E309 WeakPolarHBondContact CA-O 3.46Å; K140-E309 HydrophobicContact CD-CG 4.48Å; K140-E309 WeakPolarHBondContact CE-OE1 3.14Å; K140-E309 WeakPolarHBondContact CE-OE2 3.49Å; K140-E309 IonicContact NZ-OE1 3.76Å; K140-E309 PolarHBondContact NZ-OE1 3.17Å; K140-E309 IonicContact NZ-OE2 2.86Å; K140-E309 PolarHBondContact NZ-OE2 3.44Å
141	H	97.1	Very high	96.6	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	29%	0.288	C	S	.	.			trans	-103.8	133.7	175.8	179.1	59.9	0	0	0	110.6	Y134 E309 G312 T323 I376 R378	Y134-H141 PolarHBondContact OH-N 3.13Å; H141-E309 PolarHBondContact N-O 3.38Å; H141-G312 VanDerWaalsContact CD2-CA 3.44Å; H141-G312 WeakPolarHBondContact CD2-CA 3.43Å; H141-T323 PolarHBondContact NE2-N 2.92Å; H141-I376 HydrophobicContact CB-CG1 4.18Å; H141-R378 PolarHBondContact CE1-O 3.28Å
142	T	96.3	Very high	96.7	Very high	99 Å²	99	60.3 Å²	60.3	61%	0.607	32%	0.321	S	S	*	.			trans	-106.7	125.4	175.5	-53.7	0	0	0	0	109.7	S379	T142-S379 WeakPolarHBondContact O-CA 3.5Å; T142-S379 WeakPolarHBondContact O-CB 3.37Å
143	T	97.5	Very high	97.1	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	31%	0.308	S	S	.	.			trans	-90.2	136.6	172.1	-64	0	0	0	0	109.7	L145 Y313 E380	T143-L145 HydrophobicContact CG2-CD1 4.36Å; T143-L145 HydrophobicContact CG2-CG 4.26Å; T143-Y313 HydrophobicContact CG2-CE2 4.06Å; T143-E380 WeakPolarHBondContact CA-OE2 3.39Å
144	D	98.2	Very high	97.3	Very high	34 Å²	34	61 Å²	61	18%	0.182	32%	0.317	C	S	.	.			trans	-145	94.6	176.8	-169.3	2.4	0	0	0	110.5	D146 K149 S379 E380 V381	D144-D146 VanDerWaalsContact C-N 3.35Å; D144-D146 WeakPolarHBondContact OD1-CB 3.13Å; D144-D146 PolarHBondContact OD1-N 3.01Å; D144-K149 IonicContact OD1-NZ 3.35Å; D144-K149 PolarHBondContact OD1-NZ 2.82Å; D144-K149 WeakPolarHBondContact OD2-CD 3.37Å; D144-K149 IonicContact OD2-NZ 2.72Å; D144-K149 PolarHBondContact OD2-NZ 3.26Å; D144-S379 VanDerWaalsContact CB-CB 3.44Å; D144-S379 WeakPolarHBondContact CB-OG 3.32Å; D144-E380 PolarHBondContact N-OE2 2.91Å; D144-E380 WeakPolarHBondContact O-CB 3.46Å; D144-V381 HydrophobicContact CB-CB 4.43Å; D144-V381 HydrophobicContact CB-CG2 4.38Å; D144-V381 VanDerWaalsContact O-CG2 3.3Å; D144-V381 WeakPolarHBondContact O-CG2 3.36Å; D144-V381 PolarHBondContact O-N 2.95Å
145	L	98.3	Very high	97.4	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.084	32%	0.318	C	S	.	.			trans	-99	30.2	176.6	-68	169.2	0	0	0	111.7	T143 A147 F287 C288 L291 K292 E380	T143-L145 HydrophobicContact CG2-CD1 4.36Å; T143-L145 HydrophobicContact CG2-CG 4.26Å; L145-A147 PolarHBondContact O-N 3.43Å; L145-F287 HydrophobicContact CD2-CE1 4.06Å; L145-C288 HydrophobicContact CB-CB 4.49Å; L145-L291 HydrophobicContact CD1-CD2 3.96Å; L145-L291 HydrophobicContact CD2-CD2 4.16Å; L145-K292 VanDerWaalsContact O-CE 3.23Å; L145-K292 WeakPolarHBondContact O-CE 3.29Å; L145-K292 PolarHBondContact O-NZ 3.04Å; L145-E380 HydrophobicContact CD2-CB 3.94Å; L145-E380 HydrophobicContact CD2-CG 3.69Å; L145-E380 HydrophobicContact CG-CG 4.43Å
146	D	98.5	Very high	97.4	Very high	58 Å²	58	62.7 Å²	62.7	31%	0.31	33%	0.326	S	S	.	.			trans	-87.6	88.1	173	-177	8.8	0	0	0	111.1	D144 S148 K149 V381	D144-D146 VanDerWaalsContact C-N 3.35Å; D144-D146 WeakPolarHBondContact OD1-CB 3.13Å; D144-D146 PolarHBondContact OD1-N 3.01Å; D146-S148 VanDerWaalsContact CG-OG 3.27Å; D146-S148 PolarHBondContact O-N 3.48Å; D146-S148 VanDerWaalsContact O-N 3.08Å; D146-S148 WeakPolarHBondContact OD1-CB 3.24Å; D146-S148 PolarHBondContact OD1-N 3.45Å; D146-S148 VanDerWaalsContact OD1-N 3.15Å; D146-S148 PolarHBondContact OD1-OG 3.14Å; D146-S148 PolarHBondContact OD2-OG 2.85Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 4.36Å; D146-K149 WeakPolarHBondContact O-CB 3.41Å; D146-K149 PolarHBondContact O-N 2.98Å; D146-K149 WeakPolarHBondContact OD2-CE 3.39Å; D146-V381 VanDerWaalsContact O-CG2 3.23Å; D146-V381 WeakPolarHBondContact O-CG2 3.28Å
147	A	98.4	Very high	97.4	Very high	11 Å²	11	67.4 Å²	67.4	9%	0.091	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-59.9	-19.7	-179.9	0	0	0	0	0	114	L145 K149 I150 F284 E285 C288	L145-A147 PolarHBondContact O-N 3.43Å; A147-K149 PolarHBondContact O-N 3.26Å; A147-I150 PolarHBondContact O-N 3.38Å; A147-I150 VanDerWaalsContact O-N 3.09Å; A147-F284 HydrophobicContact CB-CD1 3.91Å; A147-F284 HydrophobicContact CB-CE1 4.16Å; A147-E285 HydrophobicContact CB-CB 4.36Å; A147-E285 HydrophobicContact CB-CG 3.86Å; A147-C288 HydrophobicContact CB-CB 4.13Å
148	S	98.1	Very high	97.5	Very high	79 Å²	79	67.8 Å²	67.8	55%	0.552	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24	179.7	75.1	0	0	0	0	113	D146 I150	D146-S148 VanDerWaalsContact CG-OG 3.27Å; D146-S148 PolarHBondContact O-N 3.48Å; D146-S148 VanDerWaalsContact O-N 3.08Å; D146-S148 WeakPolarHBondContact OD1-CB 3.24Å; D146-S148 PolarHBondContact OD1-N 3.45Å; D146-S148 VanDerWaalsContact OD1-N 3.15Å; D146-S148 PolarHBondContact OD1-OG 3.14Å; D146-S148 PolarHBondContact OD2-OG 2.85Å; S148-I150 PolarHBondContact O-N 2.95Å
149	K	98.4	Very high	97.5	Very high	100 Å²	100	63.5 Å²	63.5	44%	0.435	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-67.7	-22.4	175.7	-66.5	173.2	-179.3	163.3	0	113.1	D144 D146 A147 T151 V381	D144-K149 IonicContact OD1-NZ 3.35Å; D144-K149 PolarHBondContact OD1-NZ 2.82Å; D144-K149 WeakPolarHBondContact OD2-CD 3.37Å; D144-K149 IonicContact OD2-NZ 2.72Å; D144-K149 PolarHBondContact OD2-NZ 3.26Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 4.36Å; D146-K149 WeakPolarHBondContact O-CB 3.41Å; D146-K149 PolarHBondContact O-N 2.98Å; D146-K149 WeakPolarHBondContact OD2-CE 3.39Å; A147-K149 PolarHBondContact O-N 3.26Å; K149-T151 PolarHBondContact O-N 2.7Å; K149-T151 VanDerWaalsContact O-N 3.16Å; K149-V381 HydrophobicContact CB-CG1 3.71Å; K149-V381 HydrophobicContact CB-CG2 4.32Å; K149-V381 HydrophobicContact CD-CG1 4.16Å; K149-V381 HydrophobicContact CD-CG2 4.33Å
150	I	98.3	Very high	97.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.			trans	-80.6	93.7	169.3	-57.1	-57.5	0	0	0	107.7	A147 S148 Q152 K281 F284 V381 V384 Q385 I388	A147-I150 PolarHBondContact O-N 3.38Å; A147-I150 VanDerWaalsContact O-N 3.09Å; S148-I150 PolarHBondContact O-N 2.95Å; I150-Q152 WeakPolarHBondContact CG2-O 3.31Å; I150-K281 HydrophobicContact CG2-CB 4.23Å; I150-K281 HydrophobicContact CG2-CG 4.31Å; I150-K281 WeakPolarHBondContact O-CD 3.17Å; I150-K281 VanDerWaalsContact O-CE 3.25Å; I150-K281 WeakPolarHBondContact O-CE 3.36Å; I150-K281 PolarHBondContact O-NZ 2.89Å; I150-F284 HydrophobicContact CG1-CD1 3.7Å; I150-F284 HydrophobicContact CG1-CE1 3.85Å; I150-V381 HydrophobicContact CD1-CG1 4.06Å; I150-V384 HydrophobicContact CD1-CB 4.35Å; I150-V384 HydrophobicContact CD1-CG1 4.19Å; I150-V384 HydrophobicContact CG1-CG1 4.28Å; I150-Q385 HydrophobicContact CD1-CB 4.14Å; I150-I388 HydrophobicContact CD1-CD1 4.5Å; I150-I388 HydrophobicContact CG2-CD1 3.6Å
151	T	94.8	Very high	97.5	Very high	101 Å²	101	57 Å²	57	62%	0.62	30%	0.299	S	S	*	.			trans	-78.8	-36.7	-176.7	55.8	0	0	0	0	112.1	K149 K281	K149-T151 PolarHBondContact O-N 2.7Å; K149-T151 VanDerWaalsContact O-N 3.16Å; T151-K281 PolarHBondContact O-NZ 2.89Å
152	Q	94	Very high	97.5	Very high	154 Å²	154	57.3 Å²	57.3	72%	0.72	30%	0.302	S	S	*	.			trans	-128.5	143.6	178.2	-58.7	179.2	14.8	0	0	110	I150	I150-Q152 WeakPolarHBondContact CG2-O 3.31Å
153	G	96.1	Very high	97.6	Very high	6 Å²	6	52.6 Å²	52.6	6%	0.062	27%	0.273	C	S	.	.			trans	-175.2	35.9	-178.1	0	0	0	0	0	113.5	N279 M280 K281	G153-N279 CarbonylContact O-C 3.59Å; G153-M280 WeakPolarHBondContact O-CB 3.39Å; G153-M280 PolarHBondContact O-N 3.41Å; G153-K281 PolarHBondContact O-N 3.48Å
154	Q	98.4	Very high	97.6	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-101.4	122.9	172.7	179	64.5	50.8	0	0	108.8	E157 G278 N279	Q154-E157 PolarHBondContact NE2-OE1 2.86Å; Q154-G278 WeakPolarHBondContact CA-O 3.35Å; Q154-N279 VanDerWaalsContact OE1-CB 3.26Å
155	F	98.6	Very high	97.6	Very high	6 Å²	6	51 Å²	51	3%	0.026	26%	0.26	C	S	.	.			trans	-90.7	164.3	173.7	-57.9	-56.7	0	0	0	112.4	E157 V160 G278 M280 V329 I388 V391 N392	F155-E157 PolarHBondContact O-N 3.36Å; F155-V160 HydrophobicContact CB-CB 3.88Å; F155-V160 HydrophobicContact CB-CG1 4.19Å; F155-V160 HydrophobicContact CB-CG2 3.68Å; F155-V160 HydrophobicContact CD2-CG1 4.04Å; F155-V160 HydrophobicContact CD2-CG2 4.3Å; F155-V160 HydrophobicContact CG-CG1 4.48Å; F155-V160 HydrophobicContact CG-CG2 4.07Å; F155-G278 WeakPolarHBondContact CD2-O 3.45Å; F155-G278 PolarHBondContact N-O 3.31Å; F155-M280 HydrophobicContact CD2-CB 4.27Å; F155-M280 HydrophobicContact CE2-CB 3.58Å; F155-M280 HydrophobicContact CE2-CE 4.02Å; F155-M280 HydrophobicContact CE2-CG 4.22Å; F155-M280 HydrophobicContact CZ-CB 4.11Å; F155-M280 HydrophobicContact CZ-CG 4.48Å; F155-V329 HydrophobicContact CD2-CG1 3.84Å; F155-V329 HydrophobicContact CE2-CG1 3.48Å; F155-V329 VanDerWaalsContact CE2-CG1 3.48Å; F155-V329 HydrophobicContact CZ-CG1 4.33Å; F155-I388 HydrophobicContact CE1-CB 4.37Å; F155-I388 HydrophobicContact CE1-CG1 4.4Å; F155-I388 HydrophobicContact CE1-CG2 4.34Å; F155-I388 HydrophobicContact CZ-CB 4.38Å; F155-I388 HydrophobicContact CZ-CG1 4.01Å; F155-V391 HydrophobicContact CD1-CB 4.27Å; F155-V391 HydrophobicContact CD1-CG1 3.78Å; F155-V391 HydrophobicContact CD2-CG1 4.48Å; F155-V391 HydrophobicContact CE1-CB 3.7Å; F155-V391 HydrophobicContact CE1-CG1 3.71Å; F155-V391 HydrophobicContact CE2-CG1 4.39Å; F155-V391 HydrophobicContact CG-CG1 4.18Å; F155-V391 HydrophobicContact CZ-CB 3.93Å; F155-V391 HydrophobicContact CZ-CG1 4.02Å; F155-V391 HydrophobicContact CZ-CG2 4.4Å; F155-N392 WeakPolarHBondContact CD1-OD1 3.3Å
156	D	98.3	Very high	97.6	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	26%	0.263	C	S	.	.			trans	-72.9	110.9	170.7	-168.3	-24	0	0	0	110.9	H158 Y159 V160 V395 K399	D156-H158 PolarHBondContact O-N 3.43Å; D156-H158 WeakPolarHBondContact OD1-CB 3.1Å; D156-H158 IonicContact OD1-CE1 3.92Å; D156-H158 IonicContact OD1-CG 3.37Å; D156-H158 PolarHBondContact OD1-N 3.23Å; D156-H158 VanDerWaalsContact OD1-N 3.14Å; D156-H158 IonicContact OD1-ND1 2.87Å; D156-H158 PolarHBondContact OD1-ND1 3.5Å; D156-Y159 HydrophobicContact CB-CD2 4.14Å; D156-Y159 PolarHBondContact O-N 3.44Å; D156-Y159 VanDerWaalsContact O-N 3.12Å; D156-V160 PolarHBondContact O-N 2.86Å; D156-V395 HydrophobicContact CB-CG1 4.16Å; D156-K399 WeakPolarHBondContact OD2-CE 3.18Å; D156-K399 IonicContact OD2-NZ 2.74Å; D156-K399 PolarHBondContact OD2-NZ 2.83Å
157	E	98.1	Very high	97.6	Very high	105 Å²	105	49.6 Å²	49.6	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-7	-173.1	-54.7	-163.7	161	0	0	113.8	Q154 F155 Y159 G278	Q154-E157 PolarHBondContact NE2-OE1 2.86Å; F155-E157 PolarHBondContact O-N 3.36Å; E157-Y159 PolarHBondContact O-N 3.38Å; E157-G278 PolarHBondContact OE1-N 3.45Å
158	H	97.8	Very high	97.6	Very high	149 Å²	149	49.1 Å²	49.1	69%	0.69	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.6	167.8	-60.7	91.6	0	0	0	111.7	D156	D156-H158 PolarHBondContact O-N 3.43Å; D156-H158 WeakPolarHBondContact OD1-CB 3.1Å; D156-H158 IonicContact OD1-CE1 3.92Å; D156-H158 IonicContact OD1-CG 3.37Å; D156-H158 PolarHBondContact OD1-N 3.23Å; D156-H158 VanDerWaalsContact OD1-N 3.14Å; D156-H158 IonicContact OD1-ND1 2.87Å; D156-H158 PolarHBondContact OD1-ND1 3.5Å
159	Y	98.1	Very high	97.6	Very high	29 Å²	29	45.4 Å²	45.4	11%	0.114	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-44.6	-178.3	-58.4	-90.7	0	0	0	111.7	D156 E157 V331 R332 V395 E398 K399 E402	D156-Y159 HydrophobicContact CB-CD2 4.14Å; D156-Y159 PolarHBondContact O-N 3.44Å; D156-Y159 VanDerWaalsContact O-N 3.12Å; E157-Y159 PolarHBondContact O-N 3.38Å; Y159-V331 WeakPolarHBondContact O-CA 3.32Å; Y159-R332 PolarHBondContact O-N 3.03Å; Y159-V395 HydrophobicContact CD2-CG1 3.68Å; Y159-V395 HydrophobicContact CE2-CG1 4.12Å; Y159-V395 HydrophobicContact CG-CG1 4.03Å; Y159-V395 HydrophobicContact CG-CG2 4.38Å; Y159-E398 HydrophobicContact CD1-CB 4.43Å; Y159-E398 HydrophobicContact CD1-CG 3.95Å; Y159-E398 HydrophobicContact CE1-CB 4.2Å; Y159-E398 HydrophobicContact CE1-CG 3.62Å; Y159-K399 HydrophobicContact CE2-CD 4.32Å; Y159-K399 VanDerWaalsContact CE2-CE 3.41Å; Y159-K399 HydrophobicContact CE2-CG 3.95Å; Y159-K399 VanDerWaalsContact OH-CG 3.22Å; Y159-K399 WeakPolarHBondContact OH-CG 3.4Å; Y159-E402 WeakPolarHBondContact CE1-OE1 3.48Å; Y159-E402 PolarHBondContact OH-OE2 3.3Å
160	V	98.1	Very high	97.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114	-178.1	175.1	0	0	0	0	110.9	F155 D156 V329 H330 V331 V391	F155-V160 HydrophobicContact CB-CB 3.88Å; F155-V160 HydrophobicContact CB-CG1 4.19Å; F155-V160 HydrophobicContact CB-CG2 3.68Å; F155-V160 HydrophobicContact CD2-CG1 4.04Å; F155-V160 HydrophobicContact CD2-CG2 4.3Å; F155-V160 HydrophobicContact CG-CG1 4.48Å; F155-V160 HydrophobicContact CG-CG2 4.07Å; D156-V160 PolarHBondContact O-N 2.86Å; V160-V329 HydrophobicContact CG1-CB 3.93Å; V160-V329 HydrophobicContact CG1-CG1 3.86Å; V160-H330 CarbonylContact C-O 3.56Å; V160-H330 WeakPolarHBondContact CA-O 3.41Å; V160-V331 HydrophobicContact CG2-CB 4.33Å; V160-V331 HydrophobicContact CG2-CG2 3.98Å; V160-V391 HydrophobicContact CG2-CG1 3.92Å
161	L	96.4	Very high	97.6	Very high	55 Å²	55	40.7 Å²	40.7	29%	0.288	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-30.8	-174.3	-51	179.8	0	0	0	113	G277 H330 V367	L161-G277 PolarHBondContact O-N 3.42Å; L161-H330 HydrophobicContact CB-CB 4.28Å; L161-H330 PolarHBondContact N-O 2.75Å; L161-V367 HydrophobicContact CD1-CG1 3.92Å; L161-V367 HydrophobicContact CD1-CG2 3.75Å
162	S	96.3	Very high	97.8	Very high	15 Å²	15	38.4 Å²	38.4	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	151.2	178.3	56.5	0	0	0	0	111.3	E275 G277 V329 H330	S162-E275 WeakPolarHBondContact CA-O 3.46Å; S162-E275 WeakPolarHBondContact CB-O 3.33Å; S162-G277 CarbonylContact C-O 3.59Å; S162-G277 WeakPolarHBondContact CA-O 3.36Å; S162-V329 CarbonylContact O-C 3.5Å; S162-V329 VanDerWaalsContact O-CA 3.23Å; S162-V329 WeakPolarHBondContact O-CA 3.09Å; S162-H330 PolarHBondContact O-N 3.2Å; S162-H330 WeakPolarHBondContact OG-CB 3.26Å; S162-H330 PolarHBondContact OG-ND1 2.79Å
163	S	98	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.7	179.4	-62.6	0	0	0	0	110.1	M274 E275 G277	S163-M274 VanDerWaalsContact O-CA 3.31Å; S163-M274 WeakPolarHBondContact O-CA 3.48Å; S163-E275 PolarHBondContact N-O 3.37Å; S163-E275 PolarHBondContact O-N 3.42Å; S163-G277 PolarHBondContact N-O 2.86Å; S163-G277 PolarHBondContact OG-O 3.14Å
164	R	98	Very high	98.1	Very high	46 Å²	46	34.3 Å²	34.3	17%	0.174	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.4	-173.5	178.9	169	-173.7	-67.8	2.8	112.2	R166 I272 S273 M274 A327 G328	R164-R166 VanDerWaalsContact NH2-CZ 3.26Å; R164-I272 HydrophobicContact CG-CG2 4.13Å; R164-I272 VanDerWaalsContact NH2-CG1 3.34Å; R164-S273 CarbonylContact C-O 3.59Å; R164-S273 WeakPolarHBondContact CA-O 3.48Å; R164-M274 HydrophobicContact CB-CB 3.9Å; R164-M274 HydrophobicContact CG-CB 3.86Å; R164-A327 CarbonylContact O-C 3.51Å; R164-A327 WeakPolarHBondContact O-CA 3.4Å; R164-G328 PolarHBondContact N-O 3.31Å; R164-G328 PolarHBondContact O-N 3.28Å
165	V	98.5	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.3	171.7	-177.2	0	0	0	0	108.4	I272 S273 M280 V283 F284 F287 L325 A327	V165-I272 WeakPolarHBondContact O-CA 3.41Å; V165-S273 PolarHBondContact N-O 2.87Å; V165-S273 PolarHBondContact O-N 3.16Å; V165-M280 HydrophobicContact CG2-SD 3.62Å; V165-V283 HydrophobicContact CB-CG1 4.19Å; V165-V283 HydrophobicContact CG2-CG1 3.78Å; V165-F284 HydrophobicContact CG1-CD2 4.31Å; V165-F284 HydrophobicContact CG2-CD2 4.44Å; V165-F287 HydrophobicContact CB-CB 4.44Å; V165-F287 HydrophobicContact CB-CD2 4.14Å; V165-F287 HydrophobicContact CB-CG 4.2Å; V165-F287 HydrophobicContact CG1-CB 4.41Å; V165-F287 HydrophobicContact CG1-CD1 3.86Å; V165-F287 HydrophobicContact CG1-CD2 3.75Å; V165-F287 HydrophobicContact CG1-CE1 3.98Å; V165-F287 HydrophobicContact CG1-CE2 3.87Å; V165-F287 HydrophobicContact CG1-CG 3.74Å; V165-F287 HydrophobicContact CG1-CZ 3.97Å; V165-L325 HydrophobicContact CG1-CD1 3.87Å; V165-L325 HydrophobicContact CG1-CG 4.07Å; V165-A327 HydrophobicContact CG2-CB 3.97Å
166	R	97.8	Very high	98.2	Very high	43 Å²	43	29.6 Å²	29.6	16%	0.162	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.9	175.2	78.1	-159.6	-49.9	163	-12.4	111.3	R164 V271 I272 L325 R326	R164-R166 VanDerWaalsContact NH2-CZ 3.26Å; R166-V271 CarbonylContact C-O 3.49Å; R166-V271 VanDerWaalsContact CA-O 3.23Å; R166-V271 WeakPolarHBondContact CA-O 3.16Å; R166-I272 HydrophobicContact CB-CG1 3.98Å; R166-L325 CarbonylContact O-C 3.59Å; R166-L325 VanDerWaalsContact O-CA 3.28Å; R166-L325 WeakPolarHBondContact O-CA 3.31Å; R166-R326 HydrophobicContact CG-CB 3.86Å; R166-R326 PolarHBondContact N-O 2.58Å; R166-R326 PolarHBondContact O-N 2.95Å
167	T	98.5	Very high	98.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	178.6	162.8	-168	0	0	0	0	110	R169 R270 V271 F287 L291 T323	T167-R169 PolarHBondContact OG1-NH1 2.82Å; T167-R270 CarbonylContact O-C 3.59Å; T167-R270 VanDerWaalsContact O-CA 3.3Å; T167-R270 WeakPolarHBondContact O-CA 3.5Å; T167-R270 WeakPolarHBondContact O-CD 3.36Å; T167-V271 HydrophobicContact CG2-CB 4.3Å; T167-V271 PolarHBondContact N-O 2.76Å; T167-V271 PolarHBondContact O-N 3.38Å; T167-F287 HydrophobicContact CG2-CE2 3.82Å; T167-F287 HydrophobicContact CG2-CZ 3.46Å; T167-F287 VanDerWaalsContact CG2-CZ 3.46Å; T167-L291 HydrophobicContact CG2-CD1 4.33Å; T167-L291 HydrophobicContact CG2-CD2 3.98Å; T167-T323 PolarHBondContact OG1-O 2.81Å
168	G	98.4	Very high	98.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	157.4	165.2	0	0	0	0	0	111.9	T269 L315	G168-T269 CarbonylContact C-O 3.56Å; G168-T269 WeakPolarHBondContact CA-O 3.49Å; G168-L315 VanDerWaalsContact C-CD2 3.46Å
169	R	98.8	Very high	98.3	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140	166.4	-64.3	-69.7	179.4	-96.4	11.9	110.2	T167 T269 L291 F305 Y313	T167-R169 PolarHBondContact OG1-NH1 2.82Å; R169-T269 WeakPolarHBondContact CB-OG1 3.29Å; R169-T269 PolarHBondContact N-O 3.04Å; R169-T269 VanDerWaalsContact N-O 3.07Å; R169-T269 PolarHBondContact N-OG1 2.78Å; R169-T269 PolarHBondContact O-N 3.46Å; R169-T269 VanDerWaalsContact O-N 3.1Å; R169-T269 PolarHBondContact O-OG1 3.33Å; R169-L291 HydrophobicContact CG-CD1 4.03Å; R169-F305 HydrophobicContact CB-CD1 3.61Å; R169-F305 HydrophobicContact CB-CD2 4.4Å; R169-F305 HydrophobicContact CB-CE1 3.44Å; R169-F305 VanDerWaalsContact CB-CE1 3.44Å; R169-F305 HydrophobicContact CB-CE2 4.24Å; R169-F305 HydrophobicContact CB-CG 4.1Å; R169-F305 HydrophobicContact CB-CZ 3.77Å; R169-F305 HydrophobicContact CG-CD1 4.24Å; R169-F305 HydrophobicContact CG-CD2 4.14Å; R169-F305 HydrophobicContact CG-CE1 4.01Å; R169-F305 HydrophobicContact CG-CE2 3.87Å; R169-F305 HydrophobicContact CG-CG 4.3Å; R169-F305 HydrophobicContact CG-CZ 3.81Å; R169-Y313 VanDerWaalsContact CD-CD1 3.49Å; R169-Y313 VanDerWaalsContact CZ-CD2 3.45Å; R169-Y313 VanDerWaalsContact CZ-CE2 3.48Å; R169-Y313 VanDerWaalsContact NE-CE1 3.35Å; R169-Y313 VanDerWaalsContact NH2-CD2 3.32Å
170	S	98.9	Very high	98.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	10%	0.096	C	C	.	.			trans	-111.3	137.3	174.7	-65	0	0	0	0	110.4	L176 F305 M306 I314	S170-L176 VanDerWaalsContact OG-CD2 3.23Å; S170-L176 WeakPolarHBondContact OG-CD2 3.3Å; S170-F305 CarbonylContact O-C 3.54Å; S170-F305 VanDerWaalsContact O-CA 3.23Å; S170-F305 WeakPolarHBondContact O-CA 3.23Å; S170-M306 VanDerWaalsContact CB-SD 3.56Å; S170-M306 PolarHBondContact O-N 3.06Å; S170-I314 WeakPolarHBondContact CB-O 3.41Å; S170-I314 PolarHBondContact OG-O 3.44Å
171	I	98.8	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-84.3	120.7	179.7	-51.6	-59.9	0	0	0	108.6	L174 V191 H268 I298 W303 F305 M306	I171-L174 HydrophobicContact CB-CD1 4.32Å; I171-L174 HydrophobicContact CG2-CD1 4.1Å; I171-L174 PolarHBondContact O-N 3.04Å; I171-V191 HydrophobicContact CD1-CG1 4.45Å; I171-H268 PolarHBondContact N-ND1 3.11Å; I171-I298 HydrophobicContact CD1-CD1 3.95Å; I171-I298 HydrophobicContact CD1-CG2 4.3Å; I171-W303 HydrophobicContact CG2-CB 4.34Å; I171-W303 HydrophobicContact CG2-CD2 4Å; I171-W303 HydrophobicContact CG2-CE3 3.39Å; I171-W303 HydrophobicContact CG2-CG 4.42Å; I171-W303 HydrophobicContact CG2-CZ3 3.98Å; I171-F305 HydrophobicContact CD1-CD1 3.88Å; I171-F305 HydrophobicContact CD1-CE1 3.65Å; I171-M306 VanDerWaalsContact O-CE 3.27Å; I171-M306 WeakPolarHBondContact O-CE 3.18Å
172	R	98.8	Very high	98.5	Very high	53 Å²	53	23.5 Å²	23.5	20%	0.2	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	140.9	-178.6	174.8	168.6	-75	152.3	-0.4	111.3	E113 E304 M306 W307	E113-R172 IonicContact OE1-CZ 3.24Å; E113-R172 IonicContact OE1-NE 2.81Å; E113-R172 PolarHBondContact OE1-NE 2.78Å; E113-R172 IonicContact OE1-NH2 3.7Å; E113-R172 PolarHBondContact OE1-NH2 3.23Å; E113-R172 IonicContact OE2-CZ 3.86Å; E113-R172 IonicContact OE2-NE 2.67Å; E113-R172 PolarHBondContact OE2-NE 2.8Å; E113-R172 IonicContact OE2-NH2 2.8Å; R172-E304 HydrophobicContact CB-CB 4.28Å; R172-E304 WeakPolarHBondContact CB-O 3.44Å; R172-E304 IonicContact CZ-OE2 2.79Å; R172-E304 PolarHBondContact N-O 2.87Å; R172-E304 IonicContact NH1-OE2 3.18Å; R172-E304 PolarHBondContact NH1-OE2 2.83Å; R172-M306 HydrophobicContact CB-CG 4.09Å; R172-W307 PolarHBondContact NH2-O 3.28Å
173	G	98	Very high	98.6	Very high	59 Å²	59	26.1 Å²	26.1	61%	0.608	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	-2.8	179.7	0	0	0	0	0	115.1
174	L	98.8	Very high	98.6	Very high	15 Å²	15	27.9 Å²	27.9	8%	0.079	16%	0.159	C	C	.	.	S	Bend	trans	-117.2	134	175.4	-63.5	170.8	0	0	0	109.5	I171 E184 E187 V188 H268 W303 M306	I171-L174 HydrophobicContact CB-CD1 4.32Å; I171-L174 HydrophobicContact CG2-CD1 4.1Å; I171-L174 PolarHBondContact O-N 3.04Å; L174-E184 HydrophobicContact CD2-CB 4.2Å; L174-E184 HydrophobicContact CD2-CG 4.13Å; L174-E187 HydrophobicContact CD1-CB 4.18Å; L174-E187 HydrophobicContact CD1-CG 3.97Å; L174-E187 HydrophobicContact CD2-CB 4.21Å; L174-E187 HydrophobicContact CD2-CG 4.16Å; L174-V188 HydrophobicContact CB-CG2 4.1Å; L174-V188 HydrophobicContact CD1-CB 4.49Å; L174-V188 HydrophobicContact CD1-CG2 3.55Å; L174-V188 HydrophobicContact CG-CG2 4.43Å; L174-H268 PolarHBondContact O-CE1 2.88Å; L174-W303 HydrophobicContact CD1-CH2 4Å; L174-W303 HydrophobicContact CD1-CZ3 3.86Å; L174-W303 HydrophobicContact CD2-CH2 4.41Å; L174-W303 HydrophobicContact CG-CH2 4.23Å; L174-W303 HydrophobicContact CG-CZ3 3.96Å; L174-M306 WeakPolarHBondContact O-CE 3.25Å
175	S	98.9	Very high	98.7	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.028	15%	0.151	C	C	.	.			trans	-62.9	146.9	179.7	-53.4	0	0	0	0	111.6	G111 C180 E184 H268	G111-S175 CarbonylContact O-C 3.52Å; S175-C180 WeakPolarHBondContact O-CB 3.31Å; S175-E184 WeakPolarHBondContact CB-OE1 3.42Å; S175-E184 PolarHBondContact N-OE1 2.72Å; S175-E184 PolarHBondContact OG-OE1 3.11Å; S175-H268 PolarHBondContact O-NE2 2.87Å
176	L	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.			trans	-68.6	163.7	179.1	-61.2	173.4	0	0	0	111.6	A110 G111 S170 P178 A179 C180 M306	A110-L176 HydrophobicContact CB-CD1 3.83Å; G111-L176 WeakPolarHBondContact O-CB 3.49Å; G111-L176 PolarHBondContact O-N 3.15Å; S170-L176 VanDerWaalsContact OG-CD2 3.23Å; S170-L176 WeakPolarHBondContact OG-CD2 3.3Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 WeakPolarHBondContact O-CD 3.45Å; L176-P178 VanDerWaalsContact O-N 3.07Å; L176-A179 PolarHBondContact O-N 3.5Å; L176-C180 PolarHBondContact O-N 3.01Å; L176-M306 HydrophobicContact CD2-CE 4.11Å; L176-M306 HydrophobicContact CD2-SD 3.95Å
177	P	98.8	Very high	98.7	Very high	3 Å²	3	33 Å²	33	2%	0.019	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.6	-175.2	-29.7	37.1	0	0	0	116.5	A179 C180 M241 R243 T316	P177-A179 VanDerWaalsContact C-N 3.26Å; P177-A179 PolarHBondContact O-N 2.94Å; P177-C180 PolarHBondContact O-SG 3.1Å; P177-M241 HydrophobicContact CB-CB 4.5Å; P177-M241 HydrophobicContact CB-CE 4.37Å; P177-M241 HydrophobicContact CB-CG 4.27Å; P177-R243 PolarHBondContact O-NH2 3.41Å; P177-T316 WeakPolarHBondContact CD-OG1 3.22Å
178	P	98.8	Very high	98.8	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.058	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.5	176.1	-28.5	38.6	0	0	0	113.7	Y85 V109 L176 A239 M241 R243 T316	Y85-P178 HydrophobicContact CE2-CB 4.41Å; Y85-P178 VanDerWaalsContact OH-CB 3.26Å; Y85-P178 WeakPolarHBondContact OH-CB 3.32Å; V109-P178 HydrophobicContact CB-CG 4.11Å; V109-P178 HydrophobicContact CG2-CB 4.13Å; V109-P178 HydrophobicContact CG2-CG 3.85Å; L176-P178 VanDerWaalsContact C-N 3.31Å; L176-P178 WeakPolarHBondContact O-CD 3.45Å; L176-P178 VanDerWaalsContact O-N 3.07Å; P178-A239 WeakPolarHBondContact CA-O 3.42Å; P178-A239 VanDerWaalsContact CB-O 3.32Å; P178-A239 WeakPolarHBondContact CB-O 3.12Å; P178-M241 HydrophobicContact CB-CG 4.49Å; P178-M241 HydrophobicContact CG-CG 3.85Å; P178-M241 HydrophobicContact CG-SD 4.25Å; P178-R243 VanDerWaalsContact C-NH2 3.33Å; P178-R243 PolarHBondContact O-NH2 2.98Å; P178-T316 HydrophobicContact CG-CG2 3.35Å
179	A	98.8	Very high	98.8	Very high	30 Å²	30	34.2 Å²	34.2	25%	0.248	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-23.2	-171	0	0	0	0	0	114.3	Y85 G111 L176 P177 T181	Y85-A179 HydrophobicContact CD2-CB 3.48Å; Y85-A179 VanDerWaalsContact CD2-CB 3.48Å; Y85-A179 HydrophobicContact CE2-CB 3.59Å; Y85-A179 HydrophobicContact CG-CB 4.36Å; G111-A179 WeakPolarHBondContact O-CB 3.45Å; L176-A179 PolarHBondContact O-N 3.5Å; P177-A179 VanDerWaalsContact C-N 3.26Å; P177-A179 PolarHBondContact O-N 2.94Å; A179-T181 PolarHBondContact O-N 2.86Å
180	C	98.7	Very high	98.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.02	21%	0.209	C	C	.	.			trans	-52.6	135.2	-173.8	67.3	0	0	0	0	113	S175 L176 P177 E184 R185 R243	S175-C180 WeakPolarHBondContact O-CB 3.31Å; L176-C180 PolarHBondContact O-N 3.01Å; P177-C180 PolarHBondContact O-SG 3.1Å; C180-E184 HydrophobicContact CB-CB 4.23Å; C180-R185 PolarHBondContact SG-NE 2.81Å; C180-R185 VanDerWaalsContact SG-NE 3.44Å; C180-R185 PolarHBondContact SG-NH2 3.04Å; C180-R243 PolarHBondContact O-NH1 2.98Å; C180-R243 PolarHBondContact O-NH2 3.46Å
181	T	98.9	Very high	98.7	Very high	73 Å²	73	38.7 Å²	38.7	45%	0.448	21%	0.211	S	C	.	.			trans	-71.9	166.6	165.5	62.6	0	0	0	0	110.4	A179 A183 E184 R185	A179-T181 PolarHBondContact O-N 2.86Å; T181-A183 PolarHBondContact O-N 2.97Å; T181-E184 WeakPolarHBondContact CB-OE2 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.48Å; T181-E184 PolarHBondContact N-OE2 2.89Å; T181-E184 PolarHBondContact O-N 3.49Å; T181-E184 WeakPolarHBondContact OG1-CG 2.95Å; T181-E184 PolarHBondContact OG1-N 3.02Å; T181-E184 PolarHBondContact OG1-OE2 2.65Å; T181-R185 WeakPolarHBondContact O-CB 3.38Å; T181-R185 PolarHBondContact O-N 3Å
182	R	98.8	Very high	98.7	Very high	136 Å²	136	38.9 Å²	38.9	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-57.3	-36.4	171.9	-73.6	-174.8	-68.2	-85.1	0.3	112.1	R186 D244	R182-R186 WeakPolarHBondContact O-CB 3.28Å; R182-R186 VanDerWaalsContact O-CD 3.3Å; R182-R186 WeakPolarHBondContact O-CD 3.05Å; R182-R186 WeakPolarHBondContact O-CG 3.38Å; R182-R186 PolarHBondContact O-N 3.45Å; R182-D244 WeakPolarHBondContact CD-OD1 3.4Å; R182-D244 HydrophobicContact CG-CB 4.06Å; R182-D244 VanDerWaalsContact CG-CG 3.47Å; R182-D244 IonicContact CZ-OD1 3.44Å; R182-D244 IonicContact NH1-OD1 3.45Å; R182-D244 PolarHBondContact NH1-OD1 2.91Å
183	A	98.8	Very high	98.7	Very high	70 Å²	70	37.6 Å²	37.6	58%	0.579	21%	0.21	S	C	*	.	H	α-helix	trans	-67	-50.2	179.8	0	0	0	0	0	111.7	T181 R185 R186 E187	T181-A183 PolarHBondContact O-N 2.97Å; A183-R185 VanDerWaalsContact C-N 3.3Å; A183-R185 PolarHBondContact O-N 2.84Å; A183-R186 PolarHBondContact O-N 2.81Å; A183-E187 PolarHBondContact O-N 3.39Å
184	E	98.8	Very high	98.6	Very high	37 Å²	37	36.9 Å²	36.9	17%	0.173	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-41.3	176.8	-70.5	166.1	106	0	0	111.8	L174 S175 C180 T181 R186 E187 V188	L174-E184 HydrophobicContact CD2-CB 4.2Å; L174-E184 HydrophobicContact CD2-CG 4.13Å; S175-E184 WeakPolarHBondContact CB-OE1 3.42Å; S175-E184 PolarHBondContact N-OE1 2.72Å; S175-E184 PolarHBondContact OG-OE1 3.11Å; C180-E184 HydrophobicContact CB-CB 4.23Å; T181-E184 WeakPolarHBondContact CB-OE2 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.48Å; T181-E184 PolarHBondContact N-OE2 2.89Å; T181-E184 PolarHBondContact O-N 3.49Å; T181-E184 WeakPolarHBondContact OG1-CG 2.95Å; T181-E184 PolarHBondContact OG1-N 3.02Å; T181-E184 PolarHBondContact OG1-OE2 2.65Å; E184-R186 PolarHBondContact O-N 3.01Å; E184-E187 WeakPolarHBondContact O-CB 3.11Å; E184-E187 PolarHBondContact O-N 2.95Å; E184-E187 VanDerWaalsContact O-N 3.16Å; E184-V188 WeakPolarHBondContact O-CG2 3.39Å; E184-V188 PolarHBondContact O-N 3.11Å
185	R	98.9	Very high	98.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-42.7	177.9	-166.7	-175.6	-61.4	127.2	3.5	112.3	C180 T181 A183 E187 V188 E189 R243 D244 D247 A248 N264	C180-R185 PolarHBondContact SG-NE 2.81Å; C180-R185 VanDerWaalsContact SG-NE 3.44Å; C180-R185 PolarHBondContact SG-NH2 3.04Å; T181-R185 WeakPolarHBondContact O-CB 3.38Å; T181-R185 PolarHBondContact O-N 3Å; A183-R185 VanDerWaalsContact C-N 3.3Å; A183-R185 PolarHBondContact O-N 2.84Å; R185-E187 VanDerWaalsContact C-N 3.3Å; R185-V188 WeakPolarHBondContact O-CB 3.33Å; R185-V188 PolarHBondContact O-N 3.05Å; R185-E189 PolarHBondContact O-N 2.97Å; R185-R243 PolarHBondContact NH1-O 2.84Å; R185-D244 IonicContact CZ-OD2 3Å; R185-D244 IonicContact NH1-OD2 3.32Å; R185-D244 PolarHBondContact NH1-OD2 3.34Å; R185-D244 IonicContact NH2-OD2 3.69Å; R185-D244 PolarHBondContact NH2-OD2 3.37Å; R185-D247 WeakPolarHBondContact CD-O 3.49Å; R185-A248 HydrophobicContact CB-CB 4.45Å; R185-A248 HydrophobicContact CG-CB 3.93Å; R185-N264 HydrophobicContact CG-CB 3.9Å; R185-N264 VanDerWaalsContact CG-CG 3.49Å; R185-N264 WeakPolarHBondContact CG-ND2 3.39Å; R185-N264 PolarHBondContact O-ND2 2.9Å
186	R	98.8	Very high	98.6	Very high	121 Å²	121	36.3 Å²	36.3	46%	0.457	19%	0.191	S	C	.	.	H	α-helix	trans	-65.6	-33.9	174.7	-71.3	163.8	-175.3	-171.9	-7.6	111.9	R182 A183 E184 E189 N190 D247 A248	R182-R186 WeakPolarHBondContact O-CB 3.28Å; R182-R186 VanDerWaalsContact O-CD 3.3Å; R182-R186 WeakPolarHBondContact O-CD 3.05Å; R182-R186 WeakPolarHBondContact O-CG 3.38Å; R182-R186 PolarHBondContact O-N 3.45Å; A183-R186 PolarHBondContact O-N 2.81Å; E184-R186 PolarHBondContact O-N 3.01Å; R186-E189 PolarHBondContact O-N 2.97Å; R186-N190 WeakPolarHBondContact O-CB 3.23Å; R186-N190 PolarHBondContact O-N 2.97Å; R186-D247 IonicContact CZ-OD1 2.78Å; R186-D247 IonicContact CZ-OD2 3.56Å; R186-D247 IonicContact NE-OD1 3.78Å; R186-D247 PolarHBondContact NE-OD1 3.32Å; R186-D247 IonicContact NE-OD2 2.63Å; R186-D247 PolarHBondContact NE-OD2 3.46Å; R186-D247 IonicContact NH2-OD1 3.65Å; R186-D247 IonicContact NH2-OD2 2.73Å; R186-D247 PolarHBondContact NH2-OD2 2.93Å; R186-A248 HydrophobicContact CB-CB 4.42Å; R186-A248 HydrophobicContact CG-CB 3.74Å
187	E	98.9	Very high	98.5	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-43.7	174	-170.3	63.5	-170	0	0	111.3	L174 A183 E184 R185 E189 N190 V191 W303	L174-E187 HydrophobicContact CD1-CB 4.18Å; L174-E187 HydrophobicContact CD1-CG 3.97Å; L174-E187 HydrophobicContact CD2-CB 4.21Å; L174-E187 HydrophobicContact CD2-CG 4.16Å; A183-E187 PolarHBondContact O-N 3.39Å; E184-E187 WeakPolarHBondContact O-CB 3.11Å; E184-E187 PolarHBondContact O-N 2.95Å; E184-E187 VanDerWaalsContact O-N 3.16Å; R185-E187 VanDerWaalsContact C-N 3.3Å; E187-E189 VanDerWaalsContact C-N 3.28Å; E187-E189 PolarHBondContact O-N 3.44Å; E187-N190 PolarHBondContact O-N 3.49Å; E187-V191 HydrophobicContact CG-CG2 4.38Å; E187-V191 VanDerWaalsContact O-CG2 3.3Å; E187-V191 WeakPolarHBondContact O-CG2 3.2Å; E187-V191 PolarHBondContact O-N 2.83Å; E187-W303 HydrophobicContact CG-CH2 4.02Å; E187-W303 HydrophobicContact CG-CZ2 4.08Å; E187-W303 WeakPolarHBondContact OE1-CZ2 3.14Å
188	V	98.8	Very high	98.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-45.8	171.9	172.9	0	0	0	0	111	L174 E184 R185 A192 N264 H268	L174-V188 HydrophobicContact CB-CG2 4.1Å; L174-V188 HydrophobicContact CD1-CB 4.49Å; L174-V188 HydrophobicContact CD1-CG2 3.55Å; L174-V188 HydrophobicContact CG-CG2 4.43Å; E184-V188 WeakPolarHBondContact O-CG2 3.39Å; E184-V188 PolarHBondContact O-N 3.11Å; R185-V188 WeakPolarHBondContact O-CB 3.33Å; R185-V188 PolarHBondContact O-N 3.05Å; V188-A192 VanDerWaalsContact O-CB 3.28Å; V188-A192 WeakPolarHBondContact O-CB 3.29Å; V188-A192 PolarHBondContact O-N 2.91Å; V188-N264 WeakPolarHBondContact CG1-OD1 3.35Å; V188-H268 HydrophobicContact CG1-CB 3.56Å; V188-H268 HydrophobicContact CG2-CB 4.49Å; V188-H268 WeakPolarHBondContact CG2-ND1 3.32Å
189	E	98.8	Very high	98.4	Very high	24 Å²	24	44.3 Å²	44.3	11%	0.112	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-47.1	176.9	177.4	-178.4	-128.3	0	0	111.3	R185 R186 E187 A192 I193 Y207 A248 I263	R185-E189 PolarHBondContact O-N 2.97Å; R186-E189 PolarHBondContact O-N 2.97Å; E187-E189 VanDerWaalsContact C-N 3.28Å; E187-E189 PolarHBondContact O-N 3.44Å; E189-A192 PolarHBondContact O-N 2.92Å; E189-I193 HydrophobicContact CG-CD1 3.46Å; E189-I193 VanDerWaalsContact CG-CD1 3.46Å; E189-I193 HydrophobicContact CG-CG1 4.26Å; E189-I193 WeakPolarHBondContact O-CB 3.42Å; E189-I193 WeakPolarHBondContact O-CD1 3.37Å; E189-I193 WeakPolarHBondContact O-CG1 3.31Å; E189-I193 PolarHBondContact O-N 2.86Å; E189-Y207 HydrophobicContact CG-CE1 4.4Å; E189-Y207 PolarHBondContact OE1-OH 3.09Å; E189-A248 HydrophobicContact CB-CB 4.13Å; E189-A248 WeakPolarHBondContact OE2-CA 3.33Å; E189-I263 HydrophobicContact CB-CG2 4.24Å; E189-I263 HydrophobicContact CG-CG2 4.48Å
190	N	98.7	Very high	98.4	Very high	87 Å²	87	51.1 Å²	51.1	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-51.4	179.9	-176.6	-101.8	0	0	0	112.1	R186 E187 A192 I193 T194	R186-N190 WeakPolarHBondContact O-CB 3.23Å; R186-N190 PolarHBondContact O-N 2.97Å; E187-N190 PolarHBondContact O-N 3.49Å; N190-A192 VanDerWaalsContact C-N 3.3Å; N190-A192 PolarHBondContact O-N 3.48Å; N190-I193 PolarHBondContact O-N 3.29Å; N190-T194 WeakPolarHBondContact O-CB 3.36Å; N190-T194 PolarHBondContact O-N 3.48Å; N190-T194 PolarHBondContact O-OG1 3.12Å
191	V	98.4	Very high	98.4	Very high	9 Å²	9	54 Å²	54	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-46	178.4	172.6	0	0	0	0	110.7	I171 E187 A195 I298 W303	I171-V191 HydrophobicContact CD1-CG1 4.45Å; E187-V191 HydrophobicContact CG-CG2 4.38Å; E187-V191 VanDerWaalsContact O-CG2 3.3Å; E187-V191 WeakPolarHBondContact O-CG2 3.2Å; E187-V191 PolarHBondContact O-N 2.83Å; V191-A195 WeakPolarHBondContact O-CB 3.37Å; V191-A195 PolarHBondContact O-N 3.49Å; V191-A195 VanDerWaalsContact O-N 3.12Å; V191-I298 HydrophobicContact CG1-CG2 4.35Å; V191-W303 HydrophobicContact CG1-CB 4.36Å; V191-W303 HydrophobicContact CG1-CD2 4.34Å; V191-W303 HydrophobicContact CG1-CG 3.94Å; V191-W303 HydrophobicContact CG2-CD2 4.01Å; V191-W303 VanDerWaalsContact CG2-CE2 3.42Å; V191-W303 HydrophobicContact CG2-CG 4.29Å; V191-W303 HydrophobicContact CG2-CH2 4.49Å; V191-W303 HydrophobicContact CG2-CZ2 3.71Å
192	A	98.3	Very high	98.4	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-51.3	179.9	0	0	0	0	0	111.6	V188 E189 N190 T194 A195 L196 I263 T269	V188-A192 VanDerWaalsContact O-CB 3.28Å; V188-A192 WeakPolarHBondContact O-CB 3.29Å; V188-A192 PolarHBondContact O-N 2.91Å; E189-A192 PolarHBondContact O-N 2.92Å; N190-A192 VanDerWaalsContact C-N 3.3Å; N190-A192 PolarHBondContact O-N 3.48Å; A192-T194 PolarHBondContact O-N 2.88Å; A192-A195 PolarHBondContact O-N 3.47Å; A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.41Å; A192-L196 PolarHBondContact O-N 2.93Å; A192-I263 HydrophobicContact CB-CD1 3.62Å; A192-I263 HydrophobicContact CB-CG1 4.46Å; A192-I263 HydrophobicContact CB-CG2 4.46Å; A192-T269 HydrophobicContact CB-CG2 4.45Å
193	I	97.8	Very high	98.3	Very high	27 Å²	27	48 Å²	48	14%	0.138	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-47.7	-178.1	-65.9	164.2	0	0	0	110.9	E189 N190 A195 L196 E197 Y207	E189-I193 HydrophobicContact CG-CD1 3.46Å; E189-I193 VanDerWaalsContact CG-CD1 3.46Å; E189-I193 HydrophobicContact CG-CG1 4.26Å; E189-I193 WeakPolarHBondContact O-CB 3.42Å; E189-I193 WeakPolarHBondContact O-CD1 3.37Å; E189-I193 WeakPolarHBondContact O-CG1 3.31Å; E189-I193 PolarHBondContact O-N 2.86Å; N190-I193 PolarHBondContact O-N 3.29Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 3.13Å; I193-L196 PolarHBondContact O-N 2.75Å; I193-E197 HydrophobicContact CG2-CG 4.42Å; I193-E197 WeakPolarHBondContact O-CG 3.28Å; I193-E197 PolarHBondContact O-N 3.28Å; I193-Y207 HydrophobicContact CD1-CD1 3.36Å; I193-Y207 HydrophobicContact CD1-CE1 3.16Å; I193-Y207 HydrophobicContact CD1-CG 4.13Å; I193-Y207 HydrophobicContact CG1-CD1 3.6Å; I193-Y207 HydrophobicContact CG1-CD2 4.21Å; I193-Y207 HydrophobicContact CG1-CE1 3.72Å; I193-Y207 HydrophobicContact CG1-CE2 4.33Å; I193-Y207 HydrophobicContact CG1-CG 3.84Å
194	T	97.4	Very high	98.3	Very high	43 Å²	43	45.7 Å²	45.7	26%	0.264	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-35.3	-178.9	-63	0	0	0	0	112.3	N190 A192	N190-T194 WeakPolarHBondContact O-CB 3.36Å; N190-T194 PolarHBondContact O-N 3.48Å; N190-T194 PolarHBondContact O-OG1 3.12Å; A192-T194 PolarHBondContact O-N 2.88Å
195	A	97.8	Very high	98.2	Very high	3 Å²	3	45 Å²	45	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-43.7	171.6	0	0	0	0	0	111.4	V191 A192 I193 E197 G198 L297 I298	V191-A195 WeakPolarHBondContact O-CB 3.37Å; V191-A195 PolarHBondContact O-N 3.49Å; V191-A195 VanDerWaalsContact O-N 3.12Å; A192-A195 PolarHBondContact O-N 3.47Å; I193-A195 VanDerWaalsContact C-N 3.28Å; I193-A195 PolarHBondContact O-N 3.13Å; A195-E197 VanDerWaalsContact C-N 3.32Å; A195-E197 PolarHBondContact O-N 2.92Å; A195-G198 PolarHBondContact O-N 2.84Å; A195-L297 HydrophobicContact CB-CB 4.03Å; A195-L297 WeakPolarHBondContact O-CD1 3.43Å; A195-I298 HydrophobicContact CB-CD1 4.37Å; A195-I298 HydrophobicContact CB-CG1 3.49Å; A195-I298 VanDerWaalsContact CB-CG1 3.49Å
196	L	98.1	Very high	98.1	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-70	-24.8	-176.3	-64.2	176.3	0	0	0	114.2	A192 I193 G198 L199 W252 I261 I263 V294	A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.41Å; A192-L196 PolarHBondContact O-N 2.93Å; I193-L196 PolarHBondContact O-N 2.75Å; L196-G198 PolarHBondContact O-N 2.96Å; L196-L199 HydrophobicContact CD2-CD1 3.56Å; L196-L199 HydrophobicContact CD2-CG 4.39Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 3.29Å; L196-W252 HydrophobicContact CB-CD2 4.43Å; L196-W252 HydrophobicContact CB-CG 4.23Å; L196-W252 HydrophobicContact CD1-CB 3.72Å; L196-W252 HydrophobicContact CD1-CD2 4.09Å; L196-W252 HydrophobicContact CD1-CG 3.67Å; L196-W252 HydrophobicContact CG-CG 4.45Å; L196-I261 HydrophobicContact CD1-CB 4.34Å; L196-I261 HydrophobicContact CD1-CD1 4.02Å; L196-I261 HydrophobicContact CD1-CG2 4.41Å; L196-I261 HydrophobicContact CD2-CD1 3.31Å; L196-I261 HydrophobicContact CG-CD1 4.3Å; L196-I263 HydrophobicContact CD1-CD1 4.44Å; L196-V294 HydrophobicContact CD2-CG1 4.48Å; L196-V294 HydrophobicContact CD2-CG2 3.73Å
197	E	97.5	Very high	98	Very high	146 Å²	146	48.2 Å²	48.2	68%	0.682	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-24	168.2	-73.6	172.5	171.2	0	0	112.7	I193 A195 L199	I193-E197 HydrophobicContact CG2-CG 4.42Å; I193-E197 WeakPolarHBondContact O-CG 3.28Å; I193-E197 PolarHBondContact O-N 3.28Å; A195-E197 VanDerWaalsContact C-N 3.32Å; A195-E197 PolarHBondContact O-N 2.92Å; E197-L199 VanDerWaalsContact C-N 3.34Å
198	G	97.8	Very high	97.7	Very high	25 Å²	25	46.7 Å²	46.7	26%	0.258	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.4	177.4	0	0	0	0	0	114.7	A195 L196	A195-G198 PolarHBondContact O-N 2.84Å; L196-G198 PolarHBondContact O-N 2.96Å
199	L	98.4	Very high	97.6	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.266	C	S	.	.			trans	-71.2	135.9	179.7	-67.2	176.7	0	0	0	111.5	L196 E197 L203 W252 F259 E293 V294 L297	L196-L199 HydrophobicContact CD2-CD1 3.56Å; L196-L199 HydrophobicContact CD2-CG 4.39Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 3.29Å; E197-L199 VanDerWaalsContact C-N 3.34Å; L199-L203 HydrophobicContact CB-CB 4.26Å; L199-L203 WeakPolarHBondContact CB-O 3.09Å; L199-L203 HydrophobicContact CD2-CB 4.46Å; L199-W252 HydrophobicContact CB-CZ2 4.45Å; L199-W252 HydrophobicContact CD1-CH2 3.61Å; L199-W252 HydrophobicContact CD1-CZ2 3.61Å; L199-W252 HydrophobicContact CD1-CZ3 4.33Å; L199-F259 HydrophobicContact CD1-CE1 4.43Å; L199-E293 HydrophobicContact CD2-CB 4.06Å; L199-E293 HydrophobicContact CD2-CG 3.58Å; L199-V294 HydrophobicContact CD1-CG2 4.11Å; L199-V294 HydrophobicContact CD2-CG2 4.2Å; L199-L297 HydrophobicContact CD2-CD1 3.86Å; L199-L297 HydrophobicContact CG-CD1 4.24Å
200	K	98.3	Very high	97.3	Very high	173 Å²	173	50.1 Å²	50.1	75%	0.752	27%	0.266	S	S	*	.			trans	-126	170.5	-174.1	-60.7	-178.7	-175.5	179.1	0	111.8	L203	K200-L203 PolarHBondContact O-N 2.95Å
201	G	98.2	Very high	97	Very high	64 Å²	64	49.5 Å²	49.5	66%	0.66	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	65.1	-135.7	175.9	0	0	0	0	0	112.2	L203 A204	G201-L203 PolarHBondContact O-N 2.69Å; G201-A204 WeakPolarHBondContact O-CB 3.5Å; G201-A204 PolarHBondContact O-N 2.62Å; G201-A204 VanDerWaalsContact O-N 3.08Å
202	D	98.2	Very high	96.7	Very high	74 Å²	74	55.7 Å²	55.7	40%	0.396	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-67.3	-13.8	178	70.4	-54.7	0	0	0	113.4	N254 R289	D202-N254 PolarHBondContact O-ND2 3.05Å; D202-R289 IonicContact OD1-NE 3.62Å; D202-R289 IonicContact OD1-NH2 3.61Å; D202-R289 IonicContact OD2-CZ 2.8Å; D202-R289 IonicContact OD2-NH2 2.77Å; D202-R289 PolarHBondContact OD2-NH2 2.98Å
203	L	98.6	Very high	96.3	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.042	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-94.4	-3.2	175	-59	176.9	0	0	0	112.9	L199 K200 G201 W252 F259 R286 R289	L199-L203 HydrophobicContact CB-CB 4.26Å; L199-L203 WeakPolarHBondContact CB-O 3.09Å; L199-L203 HydrophobicContact CD2-CB 4.46Å; K200-L203 PolarHBondContact O-N 2.95Å; G201-L203 PolarHBondContact O-N 2.69Å; L203-W252 WeakPolarHBondContact O-CH2 3.29Å; L203-W252 WeakPolarHBondContact O-CZ2 3.39Å; L203-F259 HydrophobicContact CD2-CB 4.21Å; L203-F259 HydrophobicContact CD2-CD1 3.83Å; L203-F259 HydrophobicContact CD2-CE1 4.39Å; L203-F259 HydrophobicContact CD2-CG 4Å; L203-R286 HydrophobicContact CD2-CG 4.13Å; L203-R289 HydrophobicContact CD1-CG 4.25Å
204	A	98.5	Very high	95.8	Very high	22 Å²	22	59 Å²	59	18%	0.182	32%	0.317	C	S	.	.			trans	-65.7	140.5	175.2	0	0	0	0	0	110.5	G201 N254 Y255	G201-A204 WeakPolarHBondContact O-CB 3.5Å; G201-A204 PolarHBondContact O-N 2.62Å; G201-A204 VanDerWaalsContact O-N 3.08Å; A204-N254 VanDerWaalsContact O-CA 3.23Å; A204-N254 WeakPolarHBondContact O-CA 3.45Å; A204-N254 WeakPolarHBondContact O-CB 3.45Å; A204-Y255 HydrophobicContact CB-CD2 4.37Å; A204-Y255 HydrophobicContact CB-CE2 3.99Å; A204-Y255 WeakPolarHBondContact O-CD2 3.34Å; A204-Y255 PolarHBondContact O-N 3.08Å
205	G	96.9	Very high	95	Very high	23 Å²	23	65 Å²	65	24%	0.237	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-173.3	-171	0	0	0	0	0	114.3	H253	G205-H253 CarbonylContact C-O 3.5Å; G205-H253 WeakPolarHBondContact CA-O 3.33Å
206	R	95.6	Very high	94.2	Very high	156 Å²	156	72.4 Å²	72.4	59%	0.589	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.7	-178.1	-176.8	172.7	179.7	-170.4	0.4	110.9	Y208 W252 H253	R206-Y208 HydrophobicContact CB-CE2 3.81Å; R206-Y208 HydrophobicContact CG-CD2 4.45Å; R206-Y208 HydrophobicContact CG-CE2 3.9Å; R206-Y208 WeakPolarHBondContact O-CD2 3.49Å; R206-Y208 WeakPolarHBondContact O-CE2 3.43Å; R206-W252 VanDerWaalsContact C-CD1 3.45Å; R206-W252 WeakPolarHBondContact O-CA 3.28Å; R206-H253 PolarHBondContact N-O 3.21Å; R206-H253 PolarHBondContact O-N 3.07Å; R206-H253 VanDerWaalsContact O-N 3.16Å
207	Y	96.3	Very high	93.5	Very high	34 Å²	34	74 Å²	74	13%	0.133	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.8	170.6	-177.9	-116.7	0	0	0	111.7	E189 I193 K209 G250 I251 W252 I263	E189-Y207 HydrophobicContact CG-CE1 4.4Å; E189-Y207 PolarHBondContact OE1-OH 3.09Å; I193-Y207 HydrophobicContact CD1-CD1 3.36Å; I193-Y207 HydrophobicContact CD1-CE1 3.16Å; I193-Y207 HydrophobicContact CD1-CG 4.13Å; I193-Y207 HydrophobicContact CG1-CD1 3.6Å; I193-Y207 HydrophobicContact CG1-CD2 4.21Å; I193-Y207 HydrophobicContact CG1-CE1 3.72Å; I193-Y207 HydrophobicContact CG1-CE2 4.33Å; I193-Y207 HydrophobicContact CG1-CG 3.84Å; Y207-K209 HydrophobicContact CD1-CG 3.95Å; Y207-K209 HydrophobicContact CE1-CB 4.3Å; Y207-K209 HydrophobicContact CE1-CD 4.37Å; Y207-K209 HydrophobicContact CE1-CG 3.28Å; Y207-G250 VanDerWaalsContact OH-CA 3.29Å; Y207-G250 WeakPolarHBondContact OH-CA 3.44Å; Y207-G250 PolarHBondContact OH-N 2.6Å; Y207-I251 WeakPolarHBondContact CD2-O 3.29Å; Y207-W252 HydrophobicContact CD2-CB 4.02Å; Y207-I263 HydrophobicContact CE2-CB 4.29Å; Y207-I263 HydrophobicContact CE2-CG1 3.87Å
208	Y	94	Very high	92.7	Very high	43 Å²	43	71.2 Å²	71.2	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	108.2	178.1	-57.8	-99.5	0	0	0	108.6	R206 G250 I251 H253	R206-Y208 HydrophobicContact CB-CE2 3.81Å; R206-Y208 HydrophobicContact CG-CD2 4.45Å; R206-Y208 HydrophobicContact CG-CE2 3.9Å; R206-Y208 WeakPolarHBondContact O-CD2 3.49Å; R206-Y208 WeakPolarHBondContact O-CE2 3.43Å; Y208-G250 WeakPolarHBondContact O-CA 3.45Å; Y208-I251 PolarHBondContact N-O 2.72Å; Y208-I251 PolarHBondContact O-N 3Å; Y208-H253 AromaticContact CD2-NE2 3.93Å; Y208-H253 AromaticContact CE2-CD2 3.85Å; Y208-H253 AromaticContact CE2-CE1 3.79Å; Y208-H253 AromaticContact CE2-NE2 3.27Å; Y208-H253 VanDerWaalsContact CE2-NE2 3.27Å; Y208-H253 WeakPolarHBondContact CE2-NE2 3.27Å; Y208-H253 AromaticContact CZ-NE2 3.85Å
209	K	95.6	Very high	91.8	Very high	74 Å²	74	74.7 Å²	74.7	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.8	172.7	-72	176.2	178.1	178.8	0	109.7	Y207 S211 E212 M213	Y207-K209 HydrophobicContact CD1-CG 3.95Å; Y207-K209 HydrophobicContact CE1-CB 4.3Å; Y207-K209 HydrophobicContact CE1-CD 4.37Å; Y207-K209 HydrophobicContact CE1-CG 3.28Å; K209-S211 VanDerWaalsContact C-N 3.27Å; K209-S211 PolarHBondContact O-N 3.09Å; K209-E212 HydrophobicContact CB-CB 4.29Å; K209-E212 HydrophobicContact CB-CG 4.45Å; K209-E212 WeakPolarHBondContact CD-OE1 2.84Å; K209-E212 IonicContact NZ-OE1 3.25Å; K209-E212 PolarHBondContact O-N 3.37Å; K209-M213 PolarHBondContact O-N 2.74Å
210	L	93.2	Very high	90.9	Very high	23 Å²	23	79 Å²	79	12%	0.12	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-63	-34.9	178	-69.4	-167.2	0	0	0	112.5	E212 M213 L227 F228 W245 P246 R249	L210-E212 PolarHBondContact O-N 3.36Å; L210-M213 HydrophobicContact CD2-CE 3.8Å; L210-M213 HydrophobicContact CD2-SD 4.23Å; L210-M213 PolarHBondContact O-N 3.21Å; L210-L227 HydrophobicContact CD2-CD1 3.72Å; L210-F228 HydrophobicContact CD1-CD2 4.46Å; L210-F228 HydrophobicContact CD1-CE2 3.59Å; L210-F228 HydrophobicContact CD1-CZ 3.96Å; L210-F228 HydrophobicContact CG-CZ 4.49Å; L210-W245 HydrophobicContact CD1-CH2 4.35Å; L210-W245 HydrophobicContact CD1-CZ2 3.71Å; L210-P246 HydrophobicContact CB-CB 3.89Å; L210-P246 HydrophobicContact CD1-CB 4.42Å; L210-R249 WeakPolarHBondContact CB-O 3.42Å; L210-R249 HydrophobicContact CD1-CB 3.8Å; L210-R249 HydrophobicContact CG-CB 4.19Å; L210-R249 PolarHBondContact N-O 2.81Å
211	S	92.6	Very high	90.1	Very high	74 Å²	74	70.8 Å²	70.8	52%	0.517	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.2	-179.7	56.2	0	0	0	0	114.3	K209	K209-S211 VanDerWaalsContact C-N 3.27Å; K209-S211 PolarHBondContact O-N 3.09Å
212	E	92.9	Very high	89.1	Confident	140 Å²	140	70.3 Å²	70.3	65%	0.654	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-117.6	7	-176.4	-62.2	169.2	-157.5	0	0	111.3	K209 L210	K209-E212 HydrophobicContact CB-CB 4.29Å; K209-E212 HydrophobicContact CB-CG 4.45Å; K209-E212 WeakPolarHBondContact CD-OE1 2.84Å; K209-E212 IonicContact NZ-OE1 3.25Å; K209-E212 PolarHBondContact O-N 3.37Å; L210-E212 PolarHBondContact O-N 3.36Å
213	M	88.6	Confident	87.9	Confident	28 Å²	28	71.5 Å²	71.5	14%	0.138	35%	0.349	C	S	.	.			trans	-78	130.8	-177.5	-167.4	173.6	-74.5	0	0	110.2	K209 L210 D217 Q218 L221 L227 I251	K209-M213 PolarHBondContact O-N 2.74Å; L210-M213 HydrophobicContact CD2-CE 3.8Å; L210-M213 HydrophobicContact CD2-SD 4.23Å; L210-M213 PolarHBondContact O-N 3.21Å; M213-D217 HydrophobicContact CG-CB 3.85Å; M213-Q218 HydrophobicContact CG-CB 4.08Å; M213-Q218 VanDerWaalsContact SD-CA 3.54Å; M213-Q218 HydrophobicContact SD-CB 3.8Å; M213-Q218 HydrophobicContact SD-CG 4.22Å; M213-L221 HydrophobicContact CE-CD1 3.54Å; M213-L221 HydrophobicContact SD-CD1 3.82Å; M213-L227 HydrophobicContact CE-CD1 4.14Å; M213-L227 HydrophobicContact SD-CD1 4.31Å; M213-L227 HydrophobicContact SD-CD2 4.19Å; M213-I251 HydrophobicContact CE-CG2 3.88Å
214	T	87.3	Confident	86.8	Confident	72 Å²	72	74.1 Å²	74.1	44%	0.442	36%	0.363	S	S	.	.			trans	-69.4	151.7	172.6	68.3	0	0	0	0	110.2	Q216 D217 Q218	T214-Q216 PolarHBondContact O-N 2.63Å; T214-D217 PolarHBondContact O-N 3Å; T214-D217 VanDerWaalsContact O-N 3.14Å; T214-D217 WeakPolarHBondContact OG1-CB 3.27Å; T214-D217 VanDerWaalsContact OG1-CG 3.29Å; T214-D217 PolarHBondContact OG1-N 3.17Å; T214-D217 VanDerWaalsContact OG1-N 3.1Å; T214-D217 PolarHBondContact OG1-OD2 3.06Å; T214-Q218 WeakPolarHBondContact O-CB 3.42Å; T214-Q218 PolarHBondContact O-N 2.77Å
215	E	80	Confident	85.7	Confident	170 Å²	170	79.4 Å²	79.4	79%	0.794	38%	0.384	S	S	*	.	H	α-helix	trans	-56.2	-34.8	175.6	-67.6	-178.7	177.1	0	0	111.9	Q218 Q219	E215-Q218 PolarHBondContact O-N 3.21Å; E215-Q219 WeakPolarHBondContact O-CB 3.13Å; E215-Q219 PolarHBondContact O-N 3Å
216	Q	82.8	Confident	85	Confident	157 Å²	157	79.4 Å²	79.4	73%	0.734	38%	0.377	S	S	*	.	H	α-helix	trans	-67.3	-45.6	177	-172.5	-178.4	13.3	0	0	112.5	T214 Q218 R220	T214-Q216 PolarHBondContact O-N 2.63Å; Q216-Q218 VanDerWaalsContact C-N 3.31Å; Q216-R220 WeakPolarHBondContact O-CB 3.36Å; Q216-R220 PolarHBondContact O-N 3.25Å
217	D	82.9	Confident	84.2	Confident	39 Å²	39	72.8 Å²	72.8	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-39.2	176.3	-74.1	-42.9	0	0	0	111.1	M213 T214 R220 L221	M213-D217 HydrophobicContact CG-CB 3.85Å; T214-D217 PolarHBondContact O-N 3Å; T214-D217 VanDerWaalsContact O-N 3.14Å; T214-D217 WeakPolarHBondContact OG1-CB 3.27Å; T214-D217 VanDerWaalsContact OG1-CG 3.29Å; T214-D217 PolarHBondContact OG1-N 3.17Å; T214-D217 VanDerWaalsContact OG1-N 3.1Å; T214-D217 PolarHBondContact OG1-OD2 3.06Å; D217-R220 PolarHBondContact O-N 2.83Å; D217-R220 IonicContact OD1-CZ 2.97Å; D217-R220 IonicContact OD1-NH1 2.74Å; D217-R220 PolarHBondContact OD1-NH1 3.26Å; D217-R220 IonicContact OD1-NH2 2.62Å; D217-R220 PolarHBondContact OD1-NH2 2.82Å; D217-L221 WeakPolarHBondContact O-CB 3.28Å; D217-L221 VanDerWaalsContact O-CG 3.27Å; D217-L221 WeakPolarHBondContact O-CG 3.49Å; D217-L221 PolarHBondContact O-N 3.36Å
218	Q	80.8	Confident	83.5	Confident	88 Å²	88	71.6 Å²	71.6	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-53	176.2	-172.6	173.7	28.9	0	0	111.1	M213 T214 E215 Q216 R220 L221 I222 L227	M213-Q218 HydrophobicContact CG-CB 4.08Å; M213-Q218 VanDerWaalsContact SD-CA 3.54Å; M213-Q218 HydrophobicContact SD-CB 3.8Å; M213-Q218 HydrophobicContact SD-CG 4.22Å; T214-Q218 WeakPolarHBondContact O-CB 3.42Å; T214-Q218 PolarHBondContact O-N 2.77Å; E215-Q218 PolarHBondContact O-N 3.21Å; Q216-Q218 VanDerWaalsContact C-N 3.31Å; Q218-R220 VanDerWaalsContact C-N 3.33Å; Q218-R220 PolarHBondContact O-N 3.3Å; Q218-L221 PolarHBondContact O-N 3.48Å; Q218-I222 HydrophobicContact CG-CD1 4.02Å; Q218-I222 WeakPolarHBondContact O-CG1 3.45Å; Q218-I222 PolarHBondContact O-N 3.21Å; Q218-L227 HydrophobicContact CB-CD2 4.47Å; Q218-L227 HydrophobicContact CG-CD2 3.53Å
219	Q	77.8	Confident	82.4	Confident	98 Å²	98	74.8 Å²	74.8	46%	0.458	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-42.8	179.8	-170.6	61	55	0	0	111.4	E215 L221 I222 D223	E215-Q219 WeakPolarHBondContact O-CB 3.13Å; E215-Q219 PolarHBondContact O-N 3Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.44Å; Q219-I222 WeakPolarHBondContact O-CB 3.3Å; Q219-I222 PolarHBondContact O-N 2.88Å; Q219-I222 VanDerWaalsContact O-N 3.16Å; Q219-D223 PolarHBondContact NE2-OD1 3.15Å; Q219-D223 WeakPolarHBondContact O-CB 3.27Å; Q219-D223 PolarHBondContact O-N 3.4Å
220	R	79.7	Confident	81.5	Confident	99 Å²	99	77.5 Å²	77.5	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-43.5	176.5	-173.5	-178.7	66.6	-142.7	-11.3	112	Q216 D217 Q218 I222 D223 D224	Q216-R220 WeakPolarHBondContact O-CB 3.36Å; Q216-R220 PolarHBondContact O-N 3.25Å; D217-R220 PolarHBondContact O-N 2.83Å; D217-R220 IonicContact OD1-CZ 2.97Å; D217-R220 IonicContact OD1-NH1 2.74Å; D217-R220 PolarHBondContact OD1-NH1 3.26Å; D217-R220 IonicContact OD1-NH2 2.62Å; D217-R220 PolarHBondContact OD1-NH2 2.82Å; Q218-R220 VanDerWaalsContact C-N 3.33Å; Q218-R220 PolarHBondContact O-N 3.3Å; R220-I222 VanDerWaalsContact C-N 3.32Å; R220-I222 PolarHBondContact O-N 3.01Å; R220-D223 PolarHBondContact O-N 2.71Å; R220-D224 WeakPolarHBondContact O-CB 3.48Å; R220-D224 VanDerWaalsContact O-CG 3.23Å; R220-D224 PolarHBondContact O-N 2.92Å
221	L	82.6	Confident	81	Confident	1 Å²	1	77 Å²	77	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-69.6	-29.4	178.4	-69.7	167.4	0	0	0	112.5	M213 D217 Q218 Q219 H225 F226 L227 I251	M213-L221 HydrophobicContact CE-CD1 3.54Å; M213-L221 HydrophobicContact SD-CD1 3.82Å; D217-L221 WeakPolarHBondContact O-CB 3.28Å; D217-L221 VanDerWaalsContact O-CG 3.27Å; D217-L221 WeakPolarHBondContact O-CG 3.49Å; D217-L221 PolarHBondContact O-N 3.36Å; Q218-L221 PolarHBondContact O-N 3.48Å; Q219-L221 VanDerWaalsContact C-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.44Å; L221-H225 PolarHBondContact O-N 3.44Å; L221-F226 HydrophobicContact CD2-CB 4.1Å; L221-F226 HydrophobicContact CD2-CD2 4.29Å; L221-F226 WeakPolarHBondContact O-CA 3.2Å; L221-F226 PolarHBondContact O-N 2.9Å; L221-L227 HydrophobicContact CB-CB 3.82Å; L221-L227 HydrophobicContact CB-CD1 4.34Å; L221-L227 HydrophobicContact CB-CD2 4.49Å; L221-L227 HydrophobicContact CB-CG 4.45Å; L221-L227 HydrophobicContact CD1-CD1 4.22Å; L221-L227 PolarHBondContact O-N 2.77Å; L221-I251 HydrophobicContact CD1-CG2 3.99Å
222	I	76.4	Confident	80.7	Confident	53 Å²	53	79.4 Å²	79.4	27%	0.272	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-50.2	171.2	-69.9	167	0	0	0	110.2	Q218 Q219 R220 D224 H225 L227	Q218-I222 HydrophobicContact CG-CD1 4.02Å; Q218-I222 WeakPolarHBondContact O-CG1 3.45Å; Q218-I222 PolarHBondContact O-N 3.21Å; Q219-I222 WeakPolarHBondContact O-CB 3.3Å; Q219-I222 PolarHBondContact O-N 2.88Å; Q219-I222 VanDerWaalsContact O-N 3.16Å; R220-I222 VanDerWaalsContact C-N 3.32Å; R220-I222 PolarHBondContact O-N 3.01Å; I222-D224 VanDerWaalsContact C-N 3.25Å; I222-D224 PolarHBondContact O-N 3.36Å; I222-H225 WeakPolarHBondContact O-CA 3.37Å; I222-H225 PolarHBondContact O-N 3.17Å; I222-L227 HydrophobicContact CD1-CD2 4.39Å; I222-L227 HydrophobicContact CG1-CB 4.04Å; I222-L227 HydrophobicContact CG1-CD2 3.97Å
223	D	73.9	Confident	80.5	Confident	99 Å²	99	73.5 Å²	73.5	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-36.4	-179	-65.8	-16.2	0	0	0	111.6	Q219 R220 H225	Q219-D223 PolarHBondContact NE2-OD1 3.15Å; Q219-D223 WeakPolarHBondContact O-CB 3.27Å; Q219-D223 PolarHBondContact O-N 3.4Å; R220-D223 PolarHBondContact O-N 2.71Å; D223-H225 PolarHBondContact O-N 2.84Å
224	D	74.8	Confident	80.7	Confident	63 Å²	63	75.2 Å²	75.2	34%	0.337	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-2.5	175.9	-69.5	-20.9	0	0	0	113.4	R220 I222 F226	R220-D224 WeakPolarHBondContact O-CB 3.48Å; R220-D224 VanDerWaalsContact O-CG 3.23Å; R220-D224 PolarHBondContact O-N 2.92Å; I222-D224 VanDerWaalsContact C-N 3.25Å; I222-D224 PolarHBondContact O-N 3.36Å; D224-F226 VanDerWaalsContact C-N 3.3Å; D224-F226 HydrophobicContact CB-CD2 3.22Å; D224-F226 HydrophobicContact CB-CE2 3.28Å; D224-F226 HydrophobicContact CB-CG 3.95Å; D224-F226 HydrophobicContact CB-CZ 4.08Å; D224-F226 WeakPolarHBondContact O-CD1 3.32Å; D224-F226 PolarHBondContact O-N 3.45Å
225	H	74.7	Confident	80.9	Confident	134 Å²	134	73.7 Å²	73.7	62%	0.62	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	32.6	-174	-52.6	-62.5	0	0	0	114.5	L221 I222 D223	L221-H225 PolarHBondContact O-N 3.44Å; I222-H225 WeakPolarHBondContact O-CA 3.37Å; I222-H225 PolarHBondContact O-N 3.17Å; D223-H225 PolarHBondContact O-N 2.84Å
226	F	82.6	Confident	81.6	Confident	22 Å²	22	66.8 Å²	66.8	10%	0.096	34%	0.335	C	S	.	.			trans	-101.8	-32.2	-179.4	-62.4	-34.2	0	0	0	113.6	L221 D224 I251 K257 L260 W262 M274	L221-F226 HydrophobicContact CD2-CB 4.1Å; L221-F226 HydrophobicContact CD2-CD2 4.29Å; L221-F226 WeakPolarHBondContact O-CA 3.2Å; L221-F226 PolarHBondContact O-N 2.9Å; D224-F226 VanDerWaalsContact C-N 3.3Å; D224-F226 HydrophobicContact CB-CD2 3.22Å; D224-F226 HydrophobicContact CB-CE2 3.28Å; D224-F226 HydrophobicContact CB-CG 3.95Å; D224-F226 HydrophobicContact CB-CZ 4.08Å; D224-F226 WeakPolarHBondContact O-CD1 3.32Å; D224-F226 PolarHBondContact O-N 3.45Å; F226-I251 HydrophobicContact CB-CD1 4.08Å; F226-I251 WeakPolarHBondContact O-CD1 3.36Å; F226-K257 HydrophobicContact CD2-CB 4.28Å; F226-K257 HydrophobicContact CD2-CD 3.78Å; F226-K257 HydrophobicContact CE1-CB 4.5Å; F226-K257 HydrophobicContact CE2-CB 3.49Å; F226-K257 VanDerWaalsContact CE2-CB 3.49Å; F226-K257 HydrophobicContact CE2-CD 3.25Å; F226-K257 HydrophobicContact CE2-CG 4Å; F226-K257 HydrophobicContact CZ-CB 3.62Å; F226-K257 HydrophobicContact CZ-CD 4.2Å; F226-L260 HydrophobicContact CB-CD2 3.61Å; F226-L260 HydrophobicContact CD1-CD1 4.3Å; F226-L260 HydrophobicContact CD1-CD2 3.35Å; F226-L260 HydrophobicContact CD1-CG 4.49Å; F226-L260 HydrophobicContact CD2-CD2 4.22Å; F226-L260 HydrophobicContact CE1-CD1 4.36Å; F226-L260 HydrophobicContact CE1-CD2 4.05Å; F226-L260 HydrophobicContact CG-CD2 3.46Å; F226-L260 VanDerWaalsContact CG-CD2 3.46Å; F226-W262 WeakPolarHBondContact O-CZ2 3.11Å; F226-W262 PolarHBondContact O-NE1 3.32Å; F226-M274 HydrophobicContact CD1-CE 4.38Å; F226-M274 HydrophobicContact CD1-SD 4.07Å; F226-M274 HydrophobicContact CE1-CE 3.91Å; F226-M274 HydrophobicContact CE1-CG 4.46Å; F226-M274 HydrophobicContact CE1-SD 3.86Å
227	L	80	Confident	82.2	Confident	17 Å²	17	62.2 Å²	62.2	9%	0.089	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-79.8	144.7	179.4	-153.8	61.5	0	0	0	111.5	L210 M213 Q218 L221 I222 I251	L210-L227 HydrophobicContact CD2-CD1 3.72Å; M213-L227 HydrophobicContact CE-CD1 4.14Å; M213-L227 HydrophobicContact SD-CD1 4.31Å; M213-L227 HydrophobicContact SD-CD2 4.19Å; Q218-L227 HydrophobicContact CB-CD2 4.47Å; Q218-L227 HydrophobicContact CG-CD2 3.53Å; L221-L227 HydrophobicContact CB-CB 3.82Å; L221-L227 HydrophobicContact CB-CD1 4.34Å; L221-L227 HydrophobicContact CB-CD2 4.49Å; L221-L227 HydrophobicContact CB-CG 4.45Å; L221-L227 HydrophobicContact CD1-CD1 4.22Å; L221-L227 PolarHBondContact O-N 2.77Å; I222-L227 HydrophobicContact CD1-CD2 4.39Å; I222-L227 HydrophobicContact CG1-CB 4.04Å; I222-L227 HydrophobicContact CG1-CD2 3.97Å; L227-I251 HydrophobicContact CD1-CB 4.44Å; L227-I251 HydrophobicContact CD1-CG2 3.88Å
228	F	80.8	Confident	82.9	Confident	9 Å²	9	62.4 Å²	62.4	4%	0.039	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-90.9	140.1	164.2	51.7	-91.5	0	0	0	109.5	L210 W245 R249 W262 E265	L210-F228 HydrophobicContact CD1-CD2 4.46Å; L210-F228 HydrophobicContact CD1-CE2 3.59Å; L210-F228 HydrophobicContact CD1-CZ 3.96Å; L210-F228 HydrophobicContact CG-CZ 4.49Å; F228-W245 AromaticContact CD2-CH2 3.61Å; F228-W245 HydrophobicContact CD2-CH2 3.61Å; F228-W245 HydrophobicContact CD2-CZ2 4.09Å; F228-W245 AromaticContact CE2-CH2 3.43Å; F228-W245 HydrophobicContact CE2-CH2 3.43Å; F228-W245 VanDerWaalsContact CE2-CH2 3.43Å; F228-W245 AromaticContact CE2-CZ2 3.92Å; F228-W245 HydrophobicContact CE2-CZ2 3.92Å; F228-W245 HydrophobicContact CE2-CZ3 4.39Å; F228-R249 HydrophobicContact CE2-CB 4.43Å; F228-R249 HydrophobicContact CZ-CB 4.39Å; F228-W262 HydrophobicContact CB-CD2 4.24Å; F228-W262 HydrophobicContact CB-CE3 3.99Å; F228-W262 HydrophobicContact CB-CH2 4.02Å; F228-W262 HydrophobicContact CB-CZ2 4.28Å; F228-W262 HydrophobicContact CB-CZ3 3.87Å; F228-W262 HydrophobicContact CD1-CB 3.71Å; F228-W262 AromaticContact CD1-CD1 3.67Å; F228-W262 AromaticContact CD1-CD2 3.45Å; F228-W262 HydrophobicContact CD1-CD2 3.45Å; F228-W262 VanDerWaalsContact CD1-CD2 3.45Å; F228-W262 AromaticContact CD1-CE2 3.83Å; F228-W262 AromaticContact CD1-CE3 3.88Å; F228-W262 HydrophobicContact CD1-CE3 3.88Å; F228-W262 AromaticContact CD1-CG 3.36Å; F228-W262 HydrophobicContact CD1-CG 3.36Å; F228-W262 AromaticContact CD1-NE1 3.93Å; F228-W262 HydrophobicContact CE1-CB 3.53Å; F228-W262 AromaticContact CE1-CD1 3.9Å; F228-W262 HydrophobicContact CE1-CD2 4.22Å; F228-W262 AromaticContact CE1-CG 3.64Å; F228-W262 HydrophobicContact CE1-CG 3.64Å; F228-W262 HydrophobicContact CG-CD2 4.24Å; F228-W262 HydrophobicContact CG-CE3 4.26Å; F228-E265 HydrophobicContact CB-CG 4.16Å; F228-E265 HydrophobicContact CD1-CB 4.42Å; F228-E265 HydrophobicContact CD2-CB 3.95Å; F228-E265 HydrophobicContact CD2-CG 3.56Å; F228-E265 HydrophobicContact CE1-CB 4.39Å; F228-E265 HydrophobicContact CE2-CB 3.87Å; F228-E265 HydrophobicContact CE2-CG 3.97Å; F228-E265 HydrophobicContact CG-CB 4.18Å; F228-E265 HydrophobicContact CG-CG 3.82Å; F228-E265 HydrophobicContact CZ-CB 4.09Å
229	D	71.1	Confident	83.8	Confident	110 Å²	110	58.5 Å²	58.5	59%	0.588	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-75	167	177.1	-68.8	-39.1	0	0	0	111.6
230	K	77.1	Confident	84.7	Confident	131 Å²	131	54.8 Å²	54.8	57%	0.57	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-54.3	130.9	165.1	-177.2	176.8	179.9	179.7	0	108.2	V232 W245	K230-V232 PolarHBondContact O-N 2.97Å; K230-W245 HydrophobicContact CB-CZ2 4.38Å; K230-W245 HydrophobicContact CG-CD2 4.27Å; K230-W245 HydrophobicContact CG-CG 4.15Å
231	P	82.7	Confident	85.6	Confident	14 Å²	14	50.6 Å²	50.6	9%	0.091	28%	0.277	C	S	.	.			trans	-63.3	102	-179.4	23.5	-34	0	0	0	109.7	L236 T237 A242 W245	P231-L236 HydrophobicContact CB-CB 4.01Å; P231-L236 HydrophobicContact CB-CD1 3.68Å; P231-T237 VanDerWaalsContact O-CG2 3.28Å; P231-T237 WeakPolarHBondContact O-CG2 3.07Å; P231-A242 HydrophobicContact CB-CB 4.45Å; P231-A242 HydrophobicContact CG-CB 3.7Å; P231-W245 VanDerWaalsContact CD-CE3 3.47Å; P231-W245 HydrophobicContact CG-CE3 3.88Å; P231-W245 HydrophobicContact CG-CH2 4.34Å; P231-W245 HydrophobicContact CG-CZ3 3.77Å
232	V	85.8	Confident	86.3	Confident	123 Å²	123	51.8 Å²	51.8	75%	0.745	29%	0.287	S	S	*	.			trans	-97.9	-15.4	174.7	-67.5	0	0	0	0	112.1	K230	K230-V232 PolarHBondContact O-N 2.97Å
233	S	88.6	Confident	87.3	Confident	17 Å²	17	53.2 Å²	53.2	12%	0.119	29%	0.29	C	S	.	.			trans	-61.1	128	178.2	-178.7	0	0	0	0	110.1	L235 L236 T237	S233-L235 PolarHBondContact O-N 2.72Å; S233-L235 VanDerWaalsContact O-N 3.17Å; S233-L236 PolarHBondContact O-N 3.33Å; S233-T237 PolarHBondContact O-N 2.82Å; S233-T237 VanDerWaalsContact O-N 3.1Å; S233-T237 PolarHBondContact O-OG1 3.27Å
234	P	92	Very high	88.4	Confident	64 Å²	64	51.2 Å²	51.2	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-22.8	179.4	29.4	-36.7	0	0	0	111.9	N97 L236 T237 C238	N97-P234 PolarHBondContact ND2-O 3.36Å; N97-P234 VanDerWaalsContact OD1-CB 3.32Å; N97-P234 WeakPolarHBondContact OD1-CB 3.48Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.25Å; P234-T237 WeakPolarHBondContact CA-OG1 3.43Å; P234-C238 WeakPolarHBondContact O-CB 3.23Å; P234-C238 PolarHBondContact O-N 2.66Å; P234-C238 PolarHBondContact O-SG 3.16Å; P234-C238 VanDerWaalsContact O-SG 3.35Å
235	L	92.5	Very high	89.4	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-36.2	173.6	-60.3	177	0	0	0	112.2	T93 N97 T105 S233 A239	T93-L235 PolarHBondContact OG1-O 3.09Å; N97-L235 HydrophobicContact CB-CD2 3.79Å; T105-L235 HydrophobicContact CG2-CD1 3.79Å; T105-L235 HydrophobicContact CG2-CD2 4.12Å; S233-L235 PolarHBondContact O-N 2.72Å; S233-L235 VanDerWaalsContact O-N 3.17Å; L235-A239 VanDerWaalsContact O-CB 3.26Å; L235-A239 WeakPolarHBondContact O-CB 3.42Å
236	L	94.1	Very high	90.4	Very high	25 Å²	25	46.6 Å²	46.6	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-86	-41.6	-179.2	-59.8	-178.6	0	0	0	111.9	P231 S233 P234 A239 G240 M241 E266	P231-L236 HydrophobicContact CB-CB 4.01Å; P231-L236 HydrophobicContact CB-CD1 3.68Å; S233-L236 PolarHBondContact O-N 3.33Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.25Å; L236-A239 PolarHBondContact O-N 2.84Å; L236-G240 PolarHBondContact O-N 2.94Å; L236-M241 HydrophobicContact CB-CB 4.5Å; L236-M241 HydrophobicContact CD2-CE 3.72Å; L236-M241 HydrophobicContact CD2-SD 3.78Å; L236-M241 WeakPolarHBondContact O-CB 3.3Å; L236-M241 PolarHBondContact O-N 2.79Å; L236-E266 HydrophobicContact CD1-CG 3.9Å; L236-E266 HydrophobicContact CD2-CG 3.75Å
237	T	96.5	Very high	91.1	Very high	61 Å²	61	47.6 Å²	47.6	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-43.9	-178.1	57.5	0	0	0	0	111.6	P231 S233 P234 A239 G240 A242	P231-T237 VanDerWaalsContact O-CG2 3.28Å; P231-T237 WeakPolarHBondContact O-CG2 3.07Å; S233-T237 PolarHBondContact O-N 2.82Å; S233-T237 VanDerWaalsContact O-N 3.1Å; S233-T237 PolarHBondContact O-OG1 3.27Å; P234-T237 WeakPolarHBondContact CA-OG1 3.43Å; T237-A239 PolarHBondContact O-N 3Å; T237-G240 PolarHBondContact O-N 2.9Å; T237-A242 HydrophobicContact CG2-CB 3.95Å
238	C	97.4	Very high	92	Very high	42 Å²	42	47 Å²	47	28%	0.284	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.4	173.7	-66.3	0	0	0	0	113	D96 P234 G240	D96-C238 HydrophobicContact CB-CB 4.06Å; P234-C238 WeakPolarHBondContact O-CB 3.23Å; P234-C238 PolarHBondContact O-N 2.66Å; P234-C238 PolarHBondContact O-SG 3.16Å; P234-C238 VanDerWaalsContact O-SG 3.35Å; C238-G240 PolarHBondContact O-N 2.87Å
239	A	98.1	Very high	92.8	Very high	6 Å²	6	46.7 Å²	46.7	5%	0.05	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.6	171	0	0	0	0	0	113.4	T93 V109 P178 L235 L236 T237 M241	T93-A239 HydrophobicContact CG2-CB 4.37Å; V109-A239 HydrophobicContact CG1-CB 4.12Å; V109-A239 HydrophobicContact CG2-CB 4.11Å; P178-A239 WeakPolarHBondContact CA-O 3.42Å; P178-A239 VanDerWaalsContact CB-O 3.32Å; P178-A239 WeakPolarHBondContact CB-O 3.12Å; L235-A239 VanDerWaalsContact O-CB 3.26Å; L235-A239 WeakPolarHBondContact O-CB 3.42Å; L236-A239 PolarHBondContact O-N 2.84Å; T237-A239 PolarHBondContact O-N 3Å; A239-M241 VanDerWaalsContact C-N 3.3Å; A239-M241 HydrophobicContact CB-CG 3.96Å; A239-M241 HydrophobicContact CB-SD 3.76Å; A239-M241 PolarHBondContact O-N 2.99Å
240	G	97.8	Very high	94	Very high	20 Å²	20	41.4 Å²	41.4	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	15.7	179.5	0	0	0	0	0	114.7	L236 T237 C238 R243	L236-G240 PolarHBondContact O-N 2.94Å; T237-G240 PolarHBondContact O-N 2.9Å; C238-G240 PolarHBondContact O-N 2.87Å; G240-R243 WeakPolarHBondContact O-CG 3.47Å; G240-R243 PolarHBondContact O-NE 2.9Å
241	M	98.1	Very high	94.9	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.054	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.4	-173.8	-60.5	168	62.5	0	0	113.1	P177 P178 L236 A239 R249 E266 T316	P177-M241 HydrophobicContact CB-CB 4.5Å; P177-M241 HydrophobicContact CB-CE 4.37Å; P177-M241 HydrophobicContact CB-CG 4.27Å; P178-M241 HydrophobicContact CB-CG 4.49Å; P178-M241 HydrophobicContact CG-CG 3.85Å; P178-M241 HydrophobicContact CG-SD 4.25Å; L236-M241 HydrophobicContact CB-CB 4.5Å; L236-M241 HydrophobicContact CD2-CE 3.72Å; L236-M241 HydrophobicContact CD2-SD 3.78Å; L236-M241 WeakPolarHBondContact O-CB 3.3Å; L236-M241 PolarHBondContact O-N 2.79Å; A239-M241 VanDerWaalsContact C-N 3.3Å; A239-M241 HydrophobicContact CB-CG 3.96Å; A239-M241 HydrophobicContact CB-SD 3.76Å; A239-M241 PolarHBondContact O-N 2.99Å; M241-R249 PolarHBondContact O-NH2 3.37Å; M241-E266 HydrophobicContact CE-CB 3.92Å; M241-E266 HydrophobicContact CE-CG 4.18Å; M241-E266 WeakPolarHBondContact CE-O 3.23Å; M241-T316 HydrophobicContact CE-CG2 4.2Å; M241-T316 HydrophobicContact SD-CG2 4.23Å
242	A	97	Very high	95.6	Very high	26 Å²	26	34.8 Å²	34.8	22%	0.215	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.1	179.2	0	0	0	0	0	114.5	P231 T237	P231-A242 HydrophobicContact CB-CB 4.45Å; P231-A242 HydrophobicContact CG-CB 3.7Å; T237-A242 HydrophobicContact CG2-CB 3.95Å
243	R	97.7	Very high	96.2	Very high	84 Å²	84	29.2 Å²	29.2	32%	0.317	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	141.9	-177.2	-70.2	178.1	-61.9	105.7	-2.7	112	P177 P178 C180 R185 G240 W245 R249	P177-R243 PolarHBondContact O-NH2 3.41Å; P178-R243 VanDerWaalsContact C-NH2 3.33Å; P178-R243 PolarHBondContact O-NH2 2.98Å; C180-R243 PolarHBondContact O-NH1 2.98Å; C180-R243 PolarHBondContact O-NH2 3.46Å; R185-R243 PolarHBondContact NH1-O 2.84Å; G240-R243 WeakPolarHBondContact O-CG 3.47Å; G240-R243 PolarHBondContact O-NE 2.9Å; R243-W245 PolarHBondContact O-N 2.82Å; R243-W245 VanDerWaalsContact O-N 3.16Å; R243-R249 PolarHBondContact O-NH1 3.32Å; R243-R249 PolarHBondContact O-NH2 2.97Å
244	D	97.6	Very high	96.6	Very high	57 Å²	57	28.4 Å²	28.4	31%	0.305	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	23	177.1	-35.8	-86.1	0	0	0	115.1	R182 R185 D247	R182-D244 WeakPolarHBondContact CD-OD1 3.4Å; R182-D244 HydrophobicContact CG-CB 4.06Å; R182-D244 VanDerWaalsContact CG-CG 3.47Å; R182-D244 IonicContact CZ-OD1 3.44Å; R182-D244 IonicContact NH1-OD1 3.45Å; R182-D244 PolarHBondContact NH1-OD1 2.91Å; R185-D244 IonicContact CZ-OD2 3Å; R185-D244 IonicContact NH1-OD2 3.32Å; R185-D244 PolarHBondContact NH1-OD2 3.34Å; R185-D244 IonicContact NH2-OD2 3.69Å; R185-D244 PolarHBondContact NH2-OD2 3.37Å; D244-D247 HydrophobicContact CB-CB 4.21Å; D244-D247 WeakPolarHBondContact O-CB 3.34Å; D244-D247 PolarHBondContact O-N 3.46Å
245	W	95.4	Very high	96.8	Very high	54 Å²	54	33.2 Å²	33.2	21%	0.205	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.5	-179.4	-167.4	-84.7	0	0	0	112.7	L210 F228 K230 P231 R243 R249	L210-W245 HydrophobicContact CD1-CH2 4.35Å; L210-W245 HydrophobicContact CD1-CZ2 3.71Å; F228-W245 AromaticContact CD2-CH2 3.61Å; F228-W245 HydrophobicContact CD2-CH2 3.61Å; F228-W245 HydrophobicContact CD2-CZ2 4.09Å; F228-W245 AromaticContact CE2-CH2 3.43Å; F228-W245 HydrophobicContact CE2-CH2 3.43Å; F228-W245 VanDerWaalsContact CE2-CH2 3.43Å; F228-W245 AromaticContact CE2-CZ2 3.92Å; F228-W245 HydrophobicContact CE2-CZ2 3.92Å; F228-W245 HydrophobicContact CE2-CZ3 4.39Å; K230-W245 HydrophobicContact CB-CZ2 4.38Å; K230-W245 HydrophobicContact CG-CD2 4.27Å; K230-W245 HydrophobicContact CG-CG 4.15Å; P231-W245 VanDerWaalsContact CD-CE3 3.47Å; P231-W245 HydrophobicContact CG-CE3 3.88Å; P231-W245 HydrophobicContact CG-CH2 4.34Å; P231-W245 HydrophobicContact CG-CZ3 3.77Å; R243-W245 PolarHBondContact O-N 2.82Å; R243-W245 VanDerWaalsContact O-N 3.16Å; W245-R249 HydrophobicContact CE3-CG 4.31Å; W245-R249 HydrophobicContact CH2-CG 4.37Å; W245-R249 HydrophobicContact CZ3-CG 3.97Å
246	P	95.3	Very high	96.9	Very high	46 Å²	46	37 Å²	37	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.4	22.8	3.4	38.9	-35.7	0	0	0	115	L210 A248 R249	L210-P246 HydrophobicContact CB-CB 3.89Å; L210-P246 HydrophobicContact CD1-CB 4.42Å; P246-A248 PolarHBondContact O-N 2.94Å; P246-R249 PolarHBondContact O-N 3.24Å; P246-R249 VanDerWaalsContact O-N 3.17Å
247	D	97.9	Very high	97	Very high	43 Å²	43	39 Å²	39	23%	0.23	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	128.3	-175.8	-174	-98.9	0	0	0	112.2	R185 R186 D244 R249	R185-D247 WeakPolarHBondContact CD-O 3.49Å; R186-D247 IonicContact CZ-OD1 2.78Å; R186-D247 IonicContact CZ-OD2 3.56Å; R186-D247 IonicContact NE-OD1 3.78Å; R186-D247 PolarHBondContact NE-OD1 3.32Å; R186-D247 IonicContact NE-OD2 2.63Å; R186-D247 PolarHBondContact NE-OD2 3.46Å; R186-D247 IonicContact NH2-OD1 3.65Å; R186-D247 IonicContact NH2-OD2 2.73Å; R186-D247 PolarHBondContact NH2-OD2 2.93Å; D244-D247 HydrophobicContact CB-CB 4.21Å; D244-D247 WeakPolarHBondContact O-CB 3.34Å; D244-D247 PolarHBondContact O-N 3.46Å; D247-R249 VanDerWaalsContact C-N 3.26Å; D247-R249 WeakPolarHBondContact O-CD 3.27Å; D247-R249 PolarHBondContact O-N 3.01Å; D247-R249 PolarHBondContact O-NH1 3.03Å
248	A	98.1	Very high	97	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	28.3	179.8	0	0	0	0	0	115.4	R185 R186 E189 P246 N264	R185-A248 HydrophobicContact CB-CB 4.45Å; R185-A248 HydrophobicContact CG-CB 3.93Å; R186-A248 HydrophobicContact CB-CB 4.42Å; R186-A248 HydrophobicContact CG-CB 3.74Å; E189-A248 HydrophobicContact CB-CB 4.13Å; E189-A248 WeakPolarHBondContact OE2-CA 3.33Å; P246-A248 PolarHBondContact O-N 2.94Å; A248-N264 VanDerWaalsContact O-CB 3.28Å; A248-N264 WeakPolarHBondContact O-CB 3.08Å; A248-N264 PolarHBondContact O-ND2 3.45Å
249	R	98	Very high	97.1	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.178	C	C	.	.			trans	-108.8	146.6	171.9	-81.6	65.7	169.9	-136.5	-5.8	110.5	L210 F228 M241 R243 W245 P246 D247 N264	L210-R249 WeakPolarHBondContact CB-O 3.42Å; L210-R249 HydrophobicContact CD1-CB 3.8Å; L210-R249 HydrophobicContact CG-CB 4.19Å; L210-R249 PolarHBondContact N-O 2.81Å; F228-R249 HydrophobicContact CE2-CB 4.43Å; F228-R249 HydrophobicContact CZ-CB 4.39Å; M241-R249 PolarHBondContact O-NH2 3.37Å; R243-R249 PolarHBondContact O-NH1 3.32Å; R243-R249 PolarHBondContact O-NH2 2.97Å; W245-R249 HydrophobicContact CE3-CG 4.31Å; W245-R249 HydrophobicContact CH2-CG 4.37Å; W245-R249 HydrophobicContact CZ3-CG 3.97Å; P246-R249 PolarHBondContact O-N 3.24Å; P246-R249 VanDerWaalsContact O-N 3.17Å; D247-R249 VanDerWaalsContact C-N 3.26Å; D247-R249 WeakPolarHBondContact O-CD 3.27Å; D247-R249 PolarHBondContact O-N 3.01Å; D247-R249 PolarHBondContact O-NH1 3.03Å; R249-N264 WeakPolarHBondContact CD-O 3.33Å; R249-N264 HydrophobicContact CG-CB 4.01Å; R249-N264 WeakPolarHBondContact CG-O 3.37Å; R249-N264 PolarHBondContact NE-O 3.23Å
250	G	96.2	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	179.3	176	0	0	0	0	0	113	Y207 Y208 I263	Y207-G250 VanDerWaalsContact OH-CA 3.29Å; Y207-G250 WeakPolarHBondContact OH-CA 3.44Å; Y207-G250 PolarHBondContact OH-N 2.6Å; Y208-G250 WeakPolarHBondContact O-CA 3.45Å; G250-I263 PolarHBondContact N-O 2.92Å; G250-I263 PolarHBondContact O-N 3.24Å
251	I	96.6	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.7	178.4	-179.3	167.3	0	0	0	108.8	Y207 Y208 M213 L221 F226 L227 L260	Y207-I251 WeakPolarHBondContact CD2-O 3.29Å; Y208-I251 PolarHBondContact N-O 2.72Å; Y208-I251 PolarHBondContact O-N 3Å; M213-I251 HydrophobicContact CE-CG2 3.88Å; L221-I251 HydrophobicContact CD1-CG2 3.99Å; F226-I251 HydrophobicContact CB-CD1 4.08Å; F226-I251 WeakPolarHBondContact O-CD1 3.36Å; L227-I251 HydrophobicContact CD1-CB 4.44Å; L227-I251 HydrophobicContact CD1-CG2 3.88Å; I251-L260 HydrophobicContact CD1-CD2 4.2Å
252	W	97.4	Very high	97.1	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.4	164	178.7	99.9	0	0	0	108.6	L196 L199 L203 R206 Y207 N254 F259 L260 I261	L196-W252 HydrophobicContact CB-CD2 4.43Å; L196-W252 HydrophobicContact CB-CG 4.23Å; L196-W252 HydrophobicContact CD1-CB 3.72Å; L196-W252 HydrophobicContact CD1-CD2 4.09Å; L196-W252 HydrophobicContact CD1-CG 3.67Å; L196-W252 HydrophobicContact CG-CG 4.45Å; L199-W252 HydrophobicContact CB-CZ2 4.45Å; L199-W252 HydrophobicContact CD1-CH2 3.61Å; L199-W252 HydrophobicContact CD1-CZ2 3.61Å; L199-W252 HydrophobicContact CD1-CZ3 4.33Å; L203-W252 WeakPolarHBondContact O-CH2 3.29Å; L203-W252 WeakPolarHBondContact O-CZ2 3.39Å; R206-W252 VanDerWaalsContact C-CD1 3.45Å; R206-W252 WeakPolarHBondContact O-CA 3.28Å; Y207-W252 HydrophobicContact CD2-CB 4.02Å; W252-N254 HydrophobicContact CH2-CB 4.06Å; W252-F259 AromaticContact CH2-CD1 3.8Å; W252-F259 HydrophobicContact CH2-CD1 3.8Å; W252-F259 HydrophobicContact CH2-CE1 4.4Å; W252-F259 AromaticContact CZ3-CD1 3.47Å; W252-F259 HydrophobicContact CZ3-CD1 3.47Å; W252-F259 VanDerWaalsContact CZ3-CD1 3.47Å; W252-F259 HydrophobicContact CZ3-CE1 4.03Å; W252-F259 HydrophobicContact CZ3-CG 4.38Å; W252-F259 WeakPolarHBondContact CZ3-O 3.49Å; W252-L260 CarbonylContact O-C 3.57Å; W252-L260 WeakPolarHBondContact O-CA 3.5Å; W252-I261 HydrophobicContact CB-CB 4.49Å; W252-I261 HydrophobicContact CE3-CB 4.24Å; W252-I261 HydrophobicContact CE3-CD1 4.07Å; W252-I261 HydrophobicContact CE3-CG1 4Å; W252-I261 HydrophobicContact CZ3-CD1 4.33Å; W252-I261 HydrophobicContact CZ3-CG1 4.39Å; W252-I261 PolarHBondContact N-O 2.85Å; W252-I261 PolarHBondContact O-N 3.28Å
253	H	97.2	Very high	97.2	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	152.9	167.4	63.6	74.9	0	0	0	111.5	G205 R206 Y208 F259 L260	G205-H253 CarbonylContact C-O 3.5Å; G205-H253 WeakPolarHBondContact CA-O 3.33Å; R206-H253 PolarHBondContact N-O 3.21Å; R206-H253 PolarHBondContact O-N 3.07Å; R206-H253 VanDerWaalsContact O-N 3.16Å; Y208-H253 AromaticContact CD2-NE2 3.93Å; Y208-H253 AromaticContact CE2-CD2 3.85Å; Y208-H253 AromaticContact CE2-CE1 3.79Å; Y208-H253 AromaticContact CE2-NE2 3.27Å; Y208-H253 VanDerWaalsContact CE2-NE2 3.27Å; Y208-H253 WeakPolarHBondContact CE2-NE2 3.27Å; Y208-H253 AromaticContact CZ-NE2 3.85Å; H253-F259 WeakPolarHBondContact CA-O 3.48Å; H253-L260 HydrophobicContact CB-CB 4.25Å; H253-L260 HydrophobicContact CB-CD2 3.97Å; H253-L260 HydrophobicContact CB-CG 3.81Å
254	N	97.9	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	163.9	169.4	73.6	-23.3	0	0	0	111.2	D202 A204 W252 D256 K257 T258 F259	D202-N254 PolarHBondContact O-ND2 3.05Å; A204-N254 VanDerWaalsContact O-CA 3.23Å; A204-N254 WeakPolarHBondContact O-CA 3.45Å; A204-N254 WeakPolarHBondContact O-CB 3.45Å; W252-N254 HydrophobicContact CH2-CB 4.06Å; N254-D256 VanDerWaalsContact C-N 3.27Å; N254-D256 PolarHBondContact O-N 3.25Å; N254-K257 PolarHBondContact O-N 2.98Å; N254-K257 WeakPolarHBondContact OD1-CA 3.31Å; N254-K257 PolarHBondContact OD1-N 2.83Å; N254-T258 PolarHBondContact ND2-OG1 3.18Å; N254-T258 PolarHBondContact OD1-N 3.14Å; N254-F259 HydrophobicContact CB-CB 4.47Å; N254-F259 PolarHBondContact N-O 3.36Å; N254-F259 PolarHBondContact OD1-N 2.91Å; N254-F259 PolarHBondContact OD1-O 2.98Å
255	Y	95.5	Very high	97.1	Very high	165 Å²	165	28.3 Å²	28.3	65%	0.647	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.4	-175.9	-67.2	-73.2	0	0	0	113.4	A204 K257	A204-Y255 HydrophobicContact CB-CD2 4.37Å; A204-Y255 HydrophobicContact CB-CE2 3.99Å; A204-Y255 WeakPolarHBondContact O-CD2 3.34Å; A204-Y255 PolarHBondContact O-N 3.08Å; Y255-K257 PolarHBondContact O-N 3.19Å
256	D	95.9	Very high	97.1	Very high	119 Å²	119	28.2 Å²	28.2	64%	0.636	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.6	179.6	-61.8	-29.5	0	0	0	113.5	N254 T258	N254-D256 VanDerWaalsContact C-N 3.27Å; N254-D256 PolarHBondContact O-N 3.25Å; D256-T258 HydrophobicContact CB-CG2 4.22Å; D256-T258 PolarHBondContact O-N 3.02Å
257	K	95.1	Very high	97.2	Very high	66 Å²	66	26.1 Å²	26.1	29%	0.287	12%	0.122	S	C	.	.	S	Bend	trans	54.6	35.4	-179	-44.8	-171.6	-172.9	78.8	0	113.6	F226 N254 Y255	F226-K257 HydrophobicContact CD2-CB 4.28Å; F226-K257 HydrophobicContact CD2-CD 3.78Å; F226-K257 HydrophobicContact CE1-CB 4.5Å; F226-K257 HydrophobicContact CE2-CB 3.49Å; F226-K257 VanDerWaalsContact CE2-CB 3.49Å; F226-K257 HydrophobicContact CE2-CD 3.25Å; F226-K257 HydrophobicContact CE2-CG 4Å; F226-K257 HydrophobicContact CZ-CB 3.62Å; F226-K257 HydrophobicContact CZ-CD 4.2Å; N254-K257 PolarHBondContact O-N 2.98Å; N254-K257 WeakPolarHBondContact OD1-CA 3.31Å; N254-K257 PolarHBondContact OD1-N 2.83Å; Y255-K257 PolarHBondContact O-N 3.19Å
258	T	97	Very high	97.3	Very high	32 Å²	32	24.1 Å²	24.1	20%	0.196	11%	0.112	C	C	.	.	S	Bend	trans	-104.9	-11.2	177.7	56.3	0	0	0	0	113.1	N254 D256 S273 M274 R286	N254-T258 PolarHBondContact ND2-OG1 3.18Å; N254-T258 PolarHBondContact OD1-N 3.14Å; D256-T258 HydrophobicContact CB-CG2 4.22Å; D256-T258 PolarHBondContact O-N 3.02Å; T258-S273 WeakPolarHBondContact O-CA 3.38Å; T258-M274 VanDerWaalsContact CA-O 3.27Å; T258-M274 WeakPolarHBondContact CA-O 3.48Å; T258-M274 WeakPolarHBondContact CB-O 3.26Å; T258-M274 PolarHBondContact O-N 3.16Å; T258-R286 PolarHBondContact O-NE 2.82Å; T258-R286 PolarHBondContact O-NH2 3.1Å
259	F	98.5	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	121	173.4	-169.2	-116.4	0	0	0	109.1	L199 L203 W252 H253 N254 I261 V271 I272	L199-F259 HydrophobicContact CD1-CE1 4.43Å; L203-F259 HydrophobicContact CD2-CB 4.21Å; L203-F259 HydrophobicContact CD2-CD1 3.83Å; L203-F259 HydrophobicContact CD2-CE1 4.39Å; L203-F259 HydrophobicContact CD2-CG 4Å; W252-F259 AromaticContact CH2-CD1 3.8Å; W252-F259 HydrophobicContact CH2-CD1 3.8Å; W252-F259 HydrophobicContact CH2-CE1 4.4Å; W252-F259 AromaticContact CZ3-CD1 3.47Å; W252-F259 HydrophobicContact CZ3-CD1 3.47Å; W252-F259 VanDerWaalsContact CZ3-CD1 3.47Å; W252-F259 HydrophobicContact CZ3-CE1 4.03Å; W252-F259 HydrophobicContact CZ3-CG 4.38Å; W252-F259 WeakPolarHBondContact CZ3-O 3.49Å; H253-F259 WeakPolarHBondContact CA-O 3.48Å; N254-F259 HydrophobicContact CB-CB 4.47Å; N254-F259 PolarHBondContact N-O 3.36Å; N254-F259 PolarHBondContact OD1-N 2.91Å; N254-F259 PolarHBondContact OD1-O 2.98Å; F259-I261 HydrophobicContact CE1-CD1 3.97Å; F259-I261 HydrophobicContact CE1-CG1 4.36Å; F259-I261 HydrophobicContact CZ-CD1 4.33Å; F259-V271 HydrophobicContact CE2-CG1 3.51Å; F259-V271 HydrophobicContact CZ-CG1 3.43Å; F259-V271 VanDerWaalsContact CZ-CG1 3.43Å; F259-I272 CarbonylContact C-O 3.37Å; F259-I272 WeakPolarHBondContact CA-O 3.39Å; F259-I272 WeakPolarHBondContact CD2-O 3.4Å
260	L	97.8	Very high	97.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	148.5	-172.2	-51.6	93	0	0	0	110.3	F226 I251 W252 H253 I272 M274	F226-L260 HydrophobicContact CB-CD2 3.61Å; F226-L260 HydrophobicContact CD1-CD1 4.3Å; F226-L260 HydrophobicContact CD1-CD2 3.35Å; F226-L260 HydrophobicContact CD1-CG 4.49Å; F226-L260 HydrophobicContact CD2-CD2 4.22Å; F226-L260 HydrophobicContact CE1-CD1 4.36Å; F226-L260 HydrophobicContact CE1-CD2 4.05Å; F226-L260 HydrophobicContact CG-CD2 3.46Å; F226-L260 VanDerWaalsContact CG-CD2 3.46Å; I251-L260 HydrophobicContact CD1-CD2 4.2Å; W252-L260 CarbonylContact O-C 3.57Å; W252-L260 WeakPolarHBondContact O-CA 3.5Å; H253-L260 HydrophobicContact CB-CB 4.25Å; H253-L260 HydrophobicContact CB-CD2 3.97Å; H253-L260 HydrophobicContact CB-CG 3.81Å; L260-I272 HydrophobicContact CB-CB 4.28Å; L260-I272 HydrophobicContact CD1-CG2 4.33Å; L260-I272 PolarHBondContact N-O 3.17Å; L260-I272 PolarHBondContact O-N 2.9Å; L260-M274 HydrophobicContact CD1-CG 3.74Å; L260-M274 HydrophobicContact CD1-SD 3.9Å
261	I	98.4	Very high	97.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	118.3	176.3	-57	174.9	0	0	0	108.6	L196 W252 F259 I263 T269 R270 V271 V294	L196-I261 HydrophobicContact CD1-CB 4.34Å; L196-I261 HydrophobicContact CD1-CD1 4.02Å; L196-I261 HydrophobicContact CD1-CG2 4.41Å; L196-I261 HydrophobicContact CD2-CD1 3.31Å; L196-I261 HydrophobicContact CG-CD1 4.3Å; W252-I261 HydrophobicContact CB-CB 4.49Å; W252-I261 HydrophobicContact CE3-CB 4.24Å; W252-I261 HydrophobicContact CE3-CD1 4.07Å; W252-I261 HydrophobicContact CE3-CG1 4Å; W252-I261 HydrophobicContact CZ3-CD1 4.33Å; W252-I261 HydrophobicContact CZ3-CG1 4.39Å; W252-I261 PolarHBondContact N-O 2.85Å; W252-I261 PolarHBondContact O-N 3.28Å; F259-I261 HydrophobicContact CE1-CD1 3.97Å; F259-I261 HydrophobicContact CE1-CG1 4.36Å; F259-I261 HydrophobicContact CZ-CD1 4.33Å; I261-I263 HydrophobicContact CG2-CD1 3.58Å; I261-T269 HydrophobicContact CG2-CG2 4.44Å; I261-R270 VanDerWaalsContact CA-O 3.31Å; I261-R270 WeakPolarHBondContact CA-O 3.5Å; I261-V271 HydrophobicContact CD1-CG2 4.34Å; I261-V271 HydrophobicContact CG1-CB 4.45Å; I261-V271 HydrophobicContact CG1-CG1 4.23Å; I261-V271 HydrophobicContact CG1-CG2 4.2Å; I261-V271 HydrophobicContact CG2-CG2 4.36Å; I261-V294 HydrophobicContact CD1-CG2 4.1Å
262	W	98.1	Very high	97.5	Very high	23 Å²	23	25.2 Å²	25.2	9%	0.087	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.6	170.2	-56.4	-19	0	0	0	109.4	F226 F228 T269 R270 I272	F226-W262 WeakPolarHBondContact O-CZ2 3.11Å; F226-W262 PolarHBondContact O-NE1 3.32Å; F228-W262 HydrophobicContact CB-CD2 4.24Å; F228-W262 HydrophobicContact CB-CE3 3.99Å; F228-W262 HydrophobicContact CB-CH2 4.02Å; F228-W262 HydrophobicContact CB-CZ2 4.28Å; F228-W262 HydrophobicContact CB-CZ3 3.87Å; F228-W262 HydrophobicContact CD1-CB 3.71Å; F228-W262 AromaticContact CD1-CD1 3.67Å; F228-W262 AromaticContact CD1-CD2 3.45Å; F228-W262 HydrophobicContact CD1-CD2 3.45Å; F228-W262 VanDerWaalsContact CD1-CD2 3.45Å; F228-W262 AromaticContact CD1-CE2 3.83Å; F228-W262 AromaticContact CD1-CE3 3.88Å; F228-W262 HydrophobicContact CD1-CE3 3.88Å; F228-W262 AromaticContact CD1-CG 3.36Å; F228-W262 HydrophobicContact CD1-CG 3.36Å; F228-W262 AromaticContact CD1-NE1 3.93Å; F228-W262 HydrophobicContact CE1-CB 3.53Å; F228-W262 AromaticContact CE1-CD1 3.9Å; F228-W262 HydrophobicContact CE1-CD2 4.22Å; F228-W262 AromaticContact CE1-CG 3.64Å; F228-W262 HydrophobicContact CE1-CG 3.64Å; F228-W262 HydrophobicContact CG-CD2 4.24Å; F228-W262 HydrophobicContact CG-CE3 4.26Å; W262-T269 CarbonylContact O-C 3.57Å; W262-T269 VanDerWaalsContact O-CA 3.25Å; W262-T269 WeakPolarHBondContact O-CA 3.3Å; W262-R270 HydrophobicContact CB-CB 4.15Å; W262-R270 HydrophobicContact CE3-CB 4.29Å; W262-R270 PolarHBondContact N-O 3.3Å; W262-R270 PolarHBondContact O-N 2.85Å; W262-I272 HydrophobicContact CD2-CD1 3.85Å; W262-I272 HydrophobicContact CE3-CD1 4.43Å; W262-I272 HydrophobicContact CG-CD1 4.21Å; W262-I272 HydrophobicContact CZ2-CD1 4.05Å
263	I	98.6	Very high	97.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.2	-177.1	-53.7	-58.6	0	0	0	109.4	E189 A192 L196 Y207 G250 I261 E265 T269	E189-I263 HydrophobicContact CB-CG2 4.24Å; E189-I263 HydrophobicContact CG-CG2 4.48Å; A192-I263 HydrophobicContact CB-CD1 3.62Å; A192-I263 HydrophobicContact CB-CG1 4.46Å; A192-I263 HydrophobicContact CB-CG2 4.46Å; L196-I263 HydrophobicContact CD1-CD1 4.44Å; Y207-I263 HydrophobicContact CE2-CB 4.29Å; Y207-I263 HydrophobicContact CE2-CG1 3.87Å; G250-I263 PolarHBondContact N-O 2.92Å; G250-I263 PolarHBondContact O-N 3.24Å; I261-I263 HydrophobicContact CG2-CD1 3.58Å; I263-E265 VanDerWaalsContact C-N 3.33Å; I263-E265 PolarHBondContact O-N 3.33Å; I263-T269 HydrophobicContact CD1-CG2 3.85Å
264	N	98.4	Very high	97.6	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	58.6	30.7	174	-70.9	-44.7	0	0	0	116.4	R185 V188 A248 R249 H268	R185-N264 HydrophobicContact CG-CB 3.9Å; R185-N264 VanDerWaalsContact CG-CG 3.49Å; R185-N264 WeakPolarHBondContact CG-ND2 3.39Å; R185-N264 PolarHBondContact O-ND2 2.9Å; V188-N264 WeakPolarHBondContact CG1-OD1 3.35Å; A248-N264 VanDerWaalsContact O-CB 3.28Å; A248-N264 WeakPolarHBondContact O-CB 3.08Å; A248-N264 PolarHBondContact O-ND2 3.45Å; R249-N264 WeakPolarHBondContact CD-O 3.33Å; R249-N264 HydrophobicContact CG-CB 4.01Å; R249-N264 WeakPolarHBondContact CG-O 3.37Å; R249-N264 PolarHBondContact NE-O 3.23Å; N264-H268 PolarHBondContact N-O 2.99Å
265	E	94.9	Very high	97.4	Very high	20 Å²	20	27.1 Å²	27.1	9%	0.093	13%	0.125	C	C	.	.	S	Bend	trans	-83.6	-103.8	171.6	-174.1	-110.2	-171.1	0	0	110.7	F228 I263 D267	F228-E265 HydrophobicContact CB-CG 4.16Å; F228-E265 HydrophobicContact CD1-CB 4.42Å; F228-E265 HydrophobicContact CD2-CB 3.95Å; F228-E265 HydrophobicContact CD2-CG 3.56Å; F228-E265 HydrophobicContact CE1-CB 4.39Å; F228-E265 HydrophobicContact CE2-CB 3.87Å; F228-E265 HydrophobicContact CE2-CG 3.97Å; F228-E265 HydrophobicContact CG-CB 4.18Å; F228-E265 HydrophobicContact CG-CG 3.82Å; F228-E265 HydrophobicContact CZ-CB 4.09Å; I263-E265 VanDerWaalsContact C-N 3.33Å; I263-E265 PolarHBondContact O-N 3.33Å; E265-D267 PolarHBondContact N-O 2.75Å
266	E	95.6	Very high	97.4	Very high	51 Å²	51	27.1 Å²	27.1	24%	0.238	13%	0.129	C	C	.	.	S	Bend	trans	-81.7	-20.7	178.4	-77	171.6	172.5	0	0	113.7	L236 M241 R270 T316	L236-E266 HydrophobicContact CD1-CG 3.9Å; L236-E266 HydrophobicContact CD2-CG 3.75Å; M241-E266 HydrophobicContact CE-CB 3.92Å; M241-E266 HydrophobicContact CE-CG 4.18Å; M241-E266 WeakPolarHBondContact CE-O 3.23Å; E266-R270 IonicContact OE2-CZ 2.97Å; E266-R270 IonicContact OE2-NH1 2.86Å; E266-R270 PolarHBondContact OE2-NH1 3.09Å; E266-R270 IonicContact OE2-NH2 3.34Å; E266-R270 PolarHBondContact OE2-NH2 3.32Å; E266-T316 PolarHBondContact O-OG1 3.04Å
267	D	98.6	Very high	97.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.011	10%	0.103	C	C	.	.	S	Bend	trans	-142.6	170.5	178.7	-69.8	-64.6	0	0	0	107.7	E265 T269 R270 L315 T316	E265-D267 PolarHBondContact N-O 2.75Å; D267-T269 VanDerWaalsContact C-N 3.26Å; D267-T269 PolarHBondContact O-N 3.07Å; D267-R270 IonicContact OD2-CZ 3.2Å; D267-R270 VanDerWaalsContact OD2-CZ 3.24Å; D267-R270 IonicContact OD2-NE 3.37Å; D267-R270 PolarHBondContact OD2-NE 2.81Å; D267-R270 IonicContact OD2-NH2 2.69Å; D267-R270 PolarHBondContact OD2-NH2 3.23Å; D267-L315 HydrophobicContact CB-CD2 4.11Å; D267-T316 VanDerWaalsContact OD1-CB 3.25Å; D267-T316 WeakPolarHBondContact OD1-CB 3.46Å; D267-T316 PolarHBondContact OD1-N 3.2Å; D267-T316 PolarHBondContact OD1-OG1 3.19Å
268	H	98.8	Very high	97.5	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.089	C	C	.	.	S	Bend	trans	-55.5	-45.8	177	-70.7	-170.9	0	0	0	111.2	I171 L174 S175 V188 N264	I171-H268 PolarHBondContact N-ND1 3.11Å; L174-H268 PolarHBondContact O-CE1 2.88Å; S175-H268 PolarHBondContact O-NE2 2.87Å; V188-H268 HydrophobicContact CG1-CB 3.56Å; V188-H268 HydrophobicContact CG2-CB 4.49Å; V188-H268 WeakPolarHBondContact CG2-ND1 3.32Å; N264-H268 PolarHBondContact N-O 2.99Å
269	T	98.8	Very high	97.6	Very high	8 Å²	8	19 Å²	19	5%	0.049	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.1	173.6	66.9	0	0	0	0	111.5	G168 R169 A192 I261 W262 I263 D267	G168-T269 CarbonylContact C-O 3.56Å; G168-T269 WeakPolarHBondContact CA-O 3.49Å; R169-T269 WeakPolarHBondContact CB-OG1 3.29Å; R169-T269 PolarHBondContact N-O 3.04Å; R169-T269 VanDerWaalsContact N-O 3.07Å; R169-T269 PolarHBondContact N-OG1 2.78Å; R169-T269 PolarHBondContact O-N 3.46Å; R169-T269 VanDerWaalsContact O-N 3.1Å; R169-T269 PolarHBondContact O-OG1 3.33Å; A192-T269 HydrophobicContact CB-CG2 4.45Å; I261-T269 HydrophobicContact CG2-CG2 4.44Å; W262-T269 CarbonylContact O-C 3.57Å; W262-T269 VanDerWaalsContact O-CA 3.25Å; W262-T269 WeakPolarHBondContact O-CA 3.3Å; I263-T269 HydrophobicContact CD1-CG2 3.85Å; D267-T269 VanDerWaalsContact C-N 3.26Å; D267-T269 PolarHBondContact O-N 3.07Å
270	R	98.4	Very high	97.6	Very high	17 Å²	17	19 Å²	19	6%	0.064	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	107.8	163.2	-70.6	-72.1	-174.2	79	-3.9	109.1	T167 I261 W262 E266 D267 N320	T167-R270 CarbonylContact O-C 3.59Å; T167-R270 VanDerWaalsContact O-CA 3.3Å; T167-R270 WeakPolarHBondContact O-CA 3.5Å; T167-R270 WeakPolarHBondContact O-CD 3.36Å; I261-R270 VanDerWaalsContact CA-O 3.31Å; I261-R270 WeakPolarHBondContact CA-O 3.5Å; W262-R270 HydrophobicContact CB-CB 4.15Å; W262-R270 HydrophobicContact CE3-CB 4.29Å; W262-R270 PolarHBondContact N-O 3.3Å; W262-R270 PolarHBondContact O-N 2.85Å; E266-R270 IonicContact OE2-CZ 2.97Å; E266-R270 IonicContact OE2-NH1 2.86Å; E266-R270 PolarHBondContact OE2-NH1 3.09Å; E266-R270 IonicContact OE2-NH2 3.34Å; E266-R270 PolarHBondContact OE2-NH2 3.32Å; D267-R270 IonicContact OD2-CZ 3.2Å; D267-R270 VanDerWaalsContact OD2-CZ 3.24Å; D267-R270 IonicContact OD2-NE 3.37Å; D267-R270 PolarHBondContact OD2-NE 2.81Å; D267-R270 IonicContact OD2-NH2 2.69Å; D267-R270 PolarHBondContact OD2-NH2 3.23Å; R270-N320 PolarHBondContact NH2-ND2 3.06Å
271	V	98.4	Very high	97.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129	-179.3	-176.5	0	0	0	0	109.3	R166 T167 F259 I261 L291	R166-V271 CarbonylContact C-O 3.49Å; R166-V271 VanDerWaalsContact CA-O 3.23Å; R166-V271 WeakPolarHBondContact CA-O 3.16Å; T167-V271 HydrophobicContact CG2-CB 4.3Å; T167-V271 PolarHBondContact N-O 2.76Å; T167-V271 PolarHBondContact O-N 3.38Å; F259-V271 HydrophobicContact CE2-CG1 3.51Å; F259-V271 HydrophobicContact CZ-CG1 3.43Å; F259-V271 VanDerWaalsContact CZ-CG1 3.43Å; I261-V271 HydrophobicContact CD1-CG2 4.34Å; I261-V271 HydrophobicContact CG1-CB 4.45Å; I261-V271 HydrophobicContact CG1-CG1 4.23Å; I261-V271 HydrophobicContact CG1-CG2 4.2Å; I261-V271 HydrophobicContact CG2-CG2 4.36Å; V271-L291 HydrophobicContact CB-CD1 4.28Å; V271-L291 HydrophobicContact CG1-CD1 4.26Å; V271-L291 HydrophobicContact CG2-CD1 4.02Å
272	I	98.5	Very high	97.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	-169.3	-57.7	158.5	0	0	0	109	R164 V165 R166 F259 L260 W262 M274	R164-I272 HydrophobicContact CG-CG2 4.13Å; R164-I272 VanDerWaalsContact NH2-CG1 3.34Å; V165-I272 WeakPolarHBondContact O-CA 3.41Å; R166-I272 HydrophobicContact CB-CG1 3.98Å; F259-I272 CarbonylContact C-O 3.37Å; F259-I272 WeakPolarHBondContact CA-O 3.39Å; F259-I272 WeakPolarHBondContact CD2-O 3.4Å; L260-I272 HydrophobicContact CB-CB 4.28Å; L260-I272 HydrophobicContact CD1-CG2 4.33Å; L260-I272 PolarHBondContact N-O 3.17Å; L260-I272 PolarHBondContact O-N 2.9Å; W262-I272 HydrophobicContact CD2-CD1 3.85Å; W262-I272 HydrophobicContact CE3-CD1 4.43Å; W262-I272 HydrophobicContact CG-CD1 4.21Å; W262-I272 HydrophobicContact CZ2-CD1 4.05Å; I272-M274 HydrophobicContact CG2-CB 4.49Å; I272-M274 HydrophobicContact CG2-CG 4.3Å; I272-M274 HydrophobicContact CG2-SD 4.03Å
273	S	98.6	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	163.4	-176	0	0	0	0	108	R164 V165 T258 V283 R286	R164-S273 CarbonylContact C-O 3.59Å; R164-S273 WeakPolarHBondContact CA-O 3.48Å; V165-S273 PolarHBondContact N-O 2.87Å; V165-S273 PolarHBondContact O-N 3.16Å; T258-S273 WeakPolarHBondContact O-CA 3.38Å; S273-V283 WeakPolarHBondContact CB-O 3.37Å; S273-V283 VanDerWaalsContact O-CG1 3.29Å; S273-V283 WeakPolarHBondContact O-CG1 3.45Å; S273-V283 PolarHBondContact OG-O 2.95Å; S273-R286 PolarHBondContact OG-NE 3.07Å; S273-R286 VanDerWaalsContact OG-NE 3.13Å; S273-R286 PolarHBondContact OG-NH2 3.04Å
274	M	96.9	Very high	97.7	Very high	30 Å²	30	26.3 Å²	26.3	15%	0.148	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157	178.3	60.9	-169.4	-73.1	0	0	112.5	S163 R164 F226 T258 L260 I272 R286	S163-M274 VanDerWaalsContact O-CA 3.31Å; S163-M274 WeakPolarHBondContact O-CA 3.48Å; R164-M274 HydrophobicContact CB-CB 3.9Å; R164-M274 HydrophobicContact CG-CB 3.86Å; F226-M274 HydrophobicContact CD1-CE 4.38Å; F226-M274 HydrophobicContact CD1-SD 4.07Å; F226-M274 HydrophobicContact CE1-CE 3.91Å; F226-M274 HydrophobicContact CE1-CG 4.46Å; F226-M274 HydrophobicContact CE1-SD 3.86Å; T258-M274 VanDerWaalsContact CA-O 3.27Å; T258-M274 WeakPolarHBondContact CA-O 3.48Å; T258-M274 WeakPolarHBondContact CB-O 3.26Å; T258-M274 PolarHBondContact O-N 3.16Å; L260-M274 HydrophobicContact CD1-CG 3.74Å; L260-M274 HydrophobicContact CD1-SD 3.9Å; I272-M274 HydrophobicContact CG2-CB 4.49Å; I272-M274 HydrophobicContact CG2-CG 4.3Å; I272-M274 HydrophobicContact CG2-SD 4.03Å; M274-R286 PolarHBondContact O-NH2 3.32Å
275	E	95.4	Very high	97.7	Very high	22 Å²	22	29.5 Å²	29.5	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	163.5	170.3	65.3	-159.3	-129.5	0	0	110.9	S162 S163 R282 V283 R286	S162-E275 WeakPolarHBondContact CA-O 3.46Å; S162-E275 WeakPolarHBondContact CB-O 3.33Å; S163-E275 PolarHBondContact N-O 3.37Å; S163-E275 PolarHBondContact O-N 3.42Å; E275-R282 IonicContact OE1-CZ 3.24Å; E275-R282 IonicContact OE1-NE 2.78Å; E275-R282 PolarHBondContact OE1-NE 3.11Å; E275-R282 IonicContact OE1-NH2 3.93Å; E275-R282 PolarHBondContact OE1-NH2 2.93Å; E275-R282 IonicContact OE2-NE 3.48Å; E275-V283 HydrophobicContact CB-CG2 4.4Å; E275-V283 HydrophobicContact CG-CG2 3.38Å; E275-V283 WeakPolarHBondContact OE2-CG2 3.38Å; E275-R286 IonicContact OE2-CZ 3.49Å; E275-R286 IonicContact OE2-NH1 3.33Å; E275-R286 PolarHBondContact OE2-NH1 3.07Å; E275-R286 IonicContact OE2-NH2 2.78Å; E275-R286 PolarHBondContact OE2-NH2 2.87Å
276	K	95.1	Very high	97.9	Very high	166 Å²	166	29.2 Å²	29.2	72%	0.722	13%	0.131	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	153.3	168.3	-62.3	-63.8	-173.9	-179.8	0	110.1
277	G	96.3	Very high	98.1	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	12%	0.12	C	C	.	.	S	Bend	trans	80.8	-163.4	-178.5	0	0	0	0	0	114.2	L161 S162 S163	L161-G277 PolarHBondContact O-N 3.42Å; S162-G277 CarbonylContact C-O 3.59Å; S162-G277 WeakPolarHBondContact CA-O 3.36Å; S163-G277 PolarHBondContact N-O 2.86Å; S163-G277 PolarHBondContact OG-O 3.14Å
278	G	97.1	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-107.5	4.9	-161.4	0	0	0	0	0	116.1	Q154 F155 E157 M280	Q154-G278 WeakPolarHBondContact CA-O 3.35Å; F155-G278 WeakPolarHBondContact CD2-O 3.45Å; F155-G278 PolarHBondContact N-O 3.31Å; E157-G278 PolarHBondContact OE1-N 3.45Å; G278-M280 VanDerWaalsContact C-N 3.29Å; G278-M280 PolarHBondContact O-N 3.46Å
279	N	98.5	Very high	98.1	Very high	37 Å²	37	32.1 Å²	32.1	20%	0.198	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-82.4	68.7	-172.3	-162.6	-25.7	0	0	0	112.9	G153 Q154 K281 R282 V283	G153-N279 CarbonylContact O-C 3.59Å; Q154-N279 VanDerWaalsContact OE1-CB 3.26Å; N279-K281 PolarHBondContact O-N 3.47Å; N279-R282 HydrophobicContact CB-CB 4.3Å; N279-R282 PolarHBondContact O-N 3.3Å; N279-R282 VanDerWaalsContact OD1-CB 3.29Å; N279-R282 WeakPolarHBondContact OD1-CB 3.44Å; N279-R282 PolarHBondContact OD1-N 3Å; N279-V283 WeakPolarHBondContact O-CG2 3.25Å; N279-V283 PolarHBondContact O-N 3.31Å; N279-V283 VanDerWaalsContact O-N 3.14Å
280	M	98.7	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-34.4	177.9	-177	58	70.9	0	0	112.8	G153 F155 V165 G278 V283 F284 G328 V329 V384 V387 I388	G153-M280 WeakPolarHBondContact O-CB 3.39Å; G153-M280 PolarHBondContact O-N 3.41Å; F155-M280 HydrophobicContact CD2-CB 4.27Å; F155-M280 HydrophobicContact CE2-CB 3.58Å; F155-M280 HydrophobicContact CE2-CE 4.02Å; F155-M280 HydrophobicContact CE2-CG 4.22Å; F155-M280 HydrophobicContact CZ-CB 4.11Å; F155-M280 HydrophobicContact CZ-CG 4.48Å; V165-M280 HydrophobicContact CG2-SD 3.62Å; G278-M280 VanDerWaalsContact C-N 3.29Å; G278-M280 PolarHBondContact O-N 3.46Å; M280-V283 PolarHBondContact O-N 2.71Å; M280-F284 WeakPolarHBondContact O-CB 3.35Å; M280-F284 PolarHBondContact O-N 3.24Å; M280-G328 WeakPolarHBondContact CE-O 3.46Å; M280-V329 HydrophobicContact CE-CG1 3.96Å; M280-V384 HydrophobicContact CG-CG1 4.03Å; M280-V387 HydrophobicContact CE-CG1 4.47Å; M280-I388 HydrophobicContact CB-CG1 4.37Å; M280-I388 HydrophobicContact CG-CD1 4.22Å; M280-I388 HydrophobicContact CG-CG1 4Å
281	K	98.6	Very high	98.1	Very high	54 Å²	54	31 Å²	31	24%	0.235	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-52.5	176.4	176.1	171.5	174.9	141.9	0	111.3	I150 T151 G153 N279 V283 F284 E285	I150-K281 HydrophobicContact CG2-CB 4.23Å; I150-K281 HydrophobicContact CG2-CG 4.31Å; I150-K281 WeakPolarHBondContact O-CD 3.17Å; I150-K281 VanDerWaalsContact O-CE 3.25Å; I150-K281 WeakPolarHBondContact O-CE 3.36Å; I150-K281 PolarHBondContact O-NZ 2.89Å; T151-K281 PolarHBondContact O-NZ 2.89Å; G153-K281 PolarHBondContact O-N 3.48Å; N279-K281 PolarHBondContact O-N 3.47Å; K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3.19Å; K281-F284 PolarHBondContact O-N 2.92Å; K281-F284 VanDerWaalsContact O-N 3.13Å; K281-E285 WeakPolarHBondContact CE-OE1 3.27Å; K281-E285 HydrophobicContact CG-CG 4.42Å; K281-E285 WeakPolarHBondContact O-CG 3.39Å; K281-E285 PolarHBondContact O-N 3.34Å
282	R	98.7	Very high	98.1	Very high	126 Å²	126	35.9 Å²	35.9	48%	0.475	16%	0.156	S	C	.	.	H	α-helix	trans	-62.9	-39.8	178.8	-177.7	171.8	62.2	-167.4	-2.6	112.2	E275 N279 F284 E285 R286	E275-R282 IonicContact OE1-CZ 3.24Å; E275-R282 IonicContact OE1-NE 2.78Å; E275-R282 PolarHBondContact OE1-NE 3.11Å; E275-R282 IonicContact OE1-NH2 3.93Å; E275-R282 PolarHBondContact OE1-NH2 2.93Å; E275-R282 IonicContact OE2-NE 3.48Å; N279-R282 HydrophobicContact CB-CB 4.3Å; N279-R282 PolarHBondContact O-N 3.3Å; N279-R282 VanDerWaalsContact OD1-CB 3.29Å; N279-R282 WeakPolarHBondContact OD1-CB 3.44Å; N279-R282 PolarHBondContact OD1-N 3Å; R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 2.83Å; R282-E285 PolarHBondContact O-N 2.71Å; R282-R286 PolarHBondContact O-N 3.28Å
283	V	98.8	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-46.3	173.2	175.9	0	0	0	0	110.7	V165 S273 E275 N279 M280 K281 F287	V165-V283 HydrophobicContact CB-CG1 4.19Å; V165-V283 HydrophobicContact CG2-CG1 3.78Å; S273-V283 WeakPolarHBondContact CB-O 3.37Å; S273-V283 VanDerWaalsContact O-CG1 3.29Å; S273-V283 WeakPolarHBondContact O-CG1 3.45Å; S273-V283 PolarHBondContact OG-O 2.95Å; E275-V283 HydrophobicContact CB-CG2 4.4Å; E275-V283 HydrophobicContact CG-CG2 3.38Å; E275-V283 WeakPolarHBondContact OE2-CG2 3.38Å; N279-V283 WeakPolarHBondContact O-CG2 3.25Å; N279-V283 PolarHBondContact O-N 3.31Å; N279-V283 VanDerWaalsContact O-N 3.14Å; M280-V283 PolarHBondContact O-N 2.71Å; K281-V283 VanDerWaalsContact C-N 3.34Å; K281-V283 PolarHBondContact O-N 3.19Å; V283-F287 WeakPolarHBondContact O-CB 3.02Å; V283-F287 PolarHBondContact O-N 3.35Å
284	F	98.8	Very high	98.1	Very high	1 Å²	1	39 Å²	39	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-73.1	-35.6	-177.9	-172	-123.3	0	0	0	113.3	A147 I150 V165 M280 K281 R282 F287 C288 L325 E380 V381 V384	A147-F284 HydrophobicContact CB-CD1 3.91Å; A147-F284 HydrophobicContact CB-CE1 4.16Å; I150-F284 HydrophobicContact CG1-CD1 3.7Å; I150-F284 HydrophobicContact CG1-CE1 3.85Å; V165-F284 HydrophobicContact CG1-CD2 4.31Å; V165-F284 HydrophobicContact CG2-CD2 4.44Å; M280-F284 WeakPolarHBondContact O-CB 3.35Å; M280-F284 PolarHBondContact O-N 3.24Å; K281-F284 PolarHBondContact O-N 2.92Å; K281-F284 VanDerWaalsContact O-N 3.13Å; R282-F284 VanDerWaalsContact C-N 3.3Å; R282-F284 PolarHBondContact O-N 2.83Å; F284-F287 HydrophobicContact CD2-CB 4.5Å; F284-F287 AromaticContact CD2-CD1 3.96Å; F284-F287 HydrophobicContact CD2-CD1 3.96Å; F284-F287 AromaticContact CE2-CD1 3.96Å; F284-F287 HydrophobicContact CE2-CD1 3.96Å; F284-F287 HydrophobicContact CE2-CE1 4.38Å; F284-F287 WeakPolarHBondContact O-CB 3.27Å; F284-F287 PolarHBondContact O-N 2.81Å; F284-C288 WeakPolarHBondContact CE2-SG 3.27Å; F284-C288 WeakPolarHBondContact CZ-SG 3.42Å; F284-C288 WeakPolarHBondContact O-CB 3.28Å; F284-C288 PolarHBondContact O-N 2.76Å; F284-C288 PolarHBondContact O-SG 2.91Å; F284-L325 HydrophobicContact CE2-CD1 4.16Å; F284-E380 HydrophobicContact CE2-CB 4.28Å; F284-E380 HydrophobicContact CZ-CB 4.1Å; F284-V381 HydrophobicContact CE1-CG2 3.92Å; F284-V381 HydrophobicContact CZ-CG2 4.16Å; F284-V384 HydrophobicContact CB-CG1 4.38Å; F284-V384 HydrophobicContact CD1-CG1 4.29Å; F284-V384 HydrophobicContact CD1-CG2 4.4Å; F284-V384 HydrophobicContact CD2-CB 4.49Å; F284-V384 HydrophobicContact CD2-CG2 3.57Å; F284-V384 HydrophobicContact CE1-CG2 4.36Å; F284-V384 HydrophobicContact CE2-CB 4.5Å; F284-V384 HydrophobicContact CE2-CG2 3.54Å; F284-V384 HydrophobicContact CG-CB 4.49Å; F284-V384 HydrophobicContact CG-CG1 4.17Å; F284-V384 HydrophobicContact CG-CG2 4.01Å; F284-V384 HydrophobicContact CZ-CG2 3.95Å
285	E	98.8	Very high	98.1	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.332	17%	0.173	S	C	.	.	H	α-helix	trans	-60.4	-47.8	172.2	-74.6	170.9	168.4	0	0	111.4	A147 K281 R282 C288 R289	A147-E285 HydrophobicContact CB-CB 4.36Å; A147-E285 HydrophobicContact CB-CG 3.86Å; K281-E285 WeakPolarHBondContact CE-OE1 3.27Å; K281-E285 HydrophobicContact CG-CG 4.42Å; K281-E285 WeakPolarHBondContact O-CG 3.39Å; K281-E285 PolarHBondContact O-N 3.34Å; R282-E285 PolarHBondContact O-N 2.71Å; E285-C288 PolarHBondContact O-N 2.81Å; E285-R289 WeakPolarHBondContact O-CB 3.36Å; E285-R289 PolarHBondContact O-N 3.21Å
286	R	98.8	Very high	98.3	Very high	15 Å²	15	43 Å²	43	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-42.3	174.7	-178.7	172.2	61	-102.1	4.3	111.5	L203 T258 S273 M274 E275 R282 R289 G290	L203-R286 HydrophobicContact CD2-CG 4.13Å; T258-R286 PolarHBondContact O-NE 2.82Å; T258-R286 PolarHBondContact O-NH2 3.1Å; S273-R286 PolarHBondContact OG-NE 3.07Å; S273-R286 VanDerWaalsContact OG-NE 3.13Å; S273-R286 PolarHBondContact OG-NH2 3.04Å; M274-R286 PolarHBondContact O-NH2 3.32Å; E275-R286 IonicContact OE2-CZ 3.49Å; E275-R286 IonicContact OE2-NH1 3.33Å; E275-R286 PolarHBondContact OE2-NH1 3.07Å; E275-R286 IonicContact OE2-NH2 2.78Å; E275-R286 PolarHBondContact OE2-NH2 2.87Å; R282-R286 PolarHBondContact O-N 3.28Å; R286-R289 PolarHBondContact O-N 2.99Å; R286-G290 PolarHBondContact O-N 3Å
287	F	98.8	Very high	98.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-52.5	176.5	176.3	-97.1	0	0	0	111.9	L145 V165 T167 V283 F284 G290 L291 L325	L145-F287 HydrophobicContact CD2-CE1 4.06Å; V165-F287 HydrophobicContact CB-CB 4.44Å; V165-F287 HydrophobicContact CB-CD2 4.14Å; V165-F287 HydrophobicContact CB-CG 4.2Å; V165-F287 HydrophobicContact CG1-CB 4.41Å; V165-F287 HydrophobicContact CG1-CD1 3.86Å; V165-F287 HydrophobicContact CG1-CD2 3.75Å; V165-F287 HydrophobicContact CG1-CE1 3.98Å; V165-F287 HydrophobicContact CG1-CE2 3.87Å; V165-F287 HydrophobicContact CG1-CG 3.74Å; V165-F287 HydrophobicContact CG1-CZ 3.97Å; T167-F287 HydrophobicContact CG2-CE2 3.82Å; T167-F287 HydrophobicContact CG2-CZ 3.46Å; T167-F287 VanDerWaalsContact CG2-CZ 3.46Å; V283-F287 WeakPolarHBondContact O-CB 3.02Å; V283-F287 PolarHBondContact O-N 3.35Å; F284-F287 HydrophobicContact CD2-CB 4.5Å; F284-F287 AromaticContact CD2-CD1 3.96Å; F284-F287 HydrophobicContact CD2-CD1 3.96Å; F284-F287 AromaticContact CE2-CD1 3.96Å; F284-F287 HydrophobicContact CE2-CD1 3.96Å; F284-F287 HydrophobicContact CE2-CE1 4.38Å; F284-F287 WeakPolarHBondContact O-CB 3.27Å; F284-F287 PolarHBondContact O-N 2.81Å; F287-G290 PolarHBondContact O-N 2.81Å; F287-L291 HydrophobicContact CE1-CD2 3.85Å; F287-L291 HydrophobicContact CZ-CD2 3.81Å; F287-L291 WeakPolarHBondContact O-CB 3.46Å; F287-L291 PolarHBondContact O-N 2.78Å; F287-L325 HydrophobicContact CE1-CD1 4.06Å; F287-L325 HydrophobicContact CZ-CD1 4.4Å
288	C	98.8	Very high	98.5	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-41.3	-178.7	-67	0	0	0	0	112	L145 A147 F284 E285 K292	L145-C288 HydrophobicContact CB-CB 4.49Å; A147-C288 HydrophobicContact CB-CB 4.13Å; F284-C288 WeakPolarHBondContact CE2-SG 3.27Å; F284-C288 WeakPolarHBondContact CZ-SG 3.42Å; F284-C288 WeakPolarHBondContact O-CB 3.28Å; F284-C288 PolarHBondContact O-N 2.76Å; F284-C288 PolarHBondContact O-SG 2.91Å; E285-C288 PolarHBondContact O-N 2.81Å; C288-K292 WeakPolarHBondContact O-CB 3.25Å; C288-K292 VanDerWaalsContact O-CG 3.28Å; C288-K292 WeakPolarHBondContact O-CG 3.32Å; C288-K292 PolarHBondContact O-N 3.45Å; C288-K292 VanDerWaalsContact O-N 3.12Å
289	R	98.8	Very high	98.5	Very high	111 Å²	111	40.2 Å²	40.2	42%	0.419	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-51.9	176.5	-179.7	175	62.9	-105.1	5.1	111.2	D202 L203 E285 R286 L291 K292 E293	D202-R289 IonicContact OD1-NE 3.62Å; D202-R289 IonicContact OD1-NH2 3.61Å; D202-R289 IonicContact OD2-CZ 2.8Å; D202-R289 IonicContact OD2-NH2 2.77Å; D202-R289 PolarHBondContact OD2-NH2 2.98Å; L203-R289 HydrophobicContact CD1-CG 4.25Å; E285-R289 WeakPolarHBondContact O-CB 3.36Å; E285-R289 PolarHBondContact O-N 3.21Å; R286-R289 PolarHBondContact O-N 2.99Å; R289-L291 PolarHBondContact O-N 2.83Å; R289-K292 PolarHBondContact O-N 3.33Å; R289-E293 WeakPolarHBondContact O-CB 3.23Å; R289-E293 PolarHBondContact O-N 3.34Å; R289-E293 VanDerWaalsContact O-N 3.09Å
290	G	98.6	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-43.5	-179.3	0	0	0	0	0	112.4	R286 F287 E293 V294	R286-G290 PolarHBondContact O-N 3Å; F287-G290 PolarHBondContact O-N 2.81Å; G290-E293 PolarHBondContact O-N 2.92Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.5Å; G290-V294 PolarHBondContact O-N 3.28Å
291	L	98.3	Very high	98.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-42.5	-179.4	-171.5	59.4	0	0	0	112.8	L145 T167 R169 V271 F287 R289 E293 E295	L145-L291 HydrophobicContact CD1-CD2 3.96Å; L145-L291 HydrophobicContact CD2-CD2 4.16Å; T167-L291 HydrophobicContact CG2-CD1 4.33Å; T167-L291 HydrophobicContact CG2-CD2 3.98Å; R169-L291 HydrophobicContact CG-CD1 4.03Å; V271-L291 HydrophobicContact CB-CD1 4.28Å; V271-L291 HydrophobicContact CG1-CD1 4.26Å; V271-L291 HydrophobicContact CG2-CD1 4.02Å; F287-L291 HydrophobicContact CE1-CD2 3.85Å; F287-L291 HydrophobicContact CZ-CD2 3.81Å; F287-L291 WeakPolarHBondContact O-CB 3.46Å; F287-L291 PolarHBondContact O-N 2.78Å; R289-L291 PolarHBondContact O-N 2.83Å; L291-E293 VanDerWaalsContact C-N 3.35Å; L291-E295 WeakPolarHBondContact O-CB 3.42Å; L291-E295 PolarHBondContact O-N 2.94Å
292	K	98.6	Very high	98.1	Very high	104 Å²	104	52 Å²	52	45%	0.452	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-39.8	175.1	-72.8	174.9	-173.5	175.3	0	112	L145 C288 R289 E295 R296	L145-K292 VanDerWaalsContact O-CE 3.23Å; L145-K292 WeakPolarHBondContact O-CE 3.29Å; L145-K292 PolarHBondContact O-NZ 3.04Å; C288-K292 WeakPolarHBondContact O-CB 3.25Å; C288-K292 VanDerWaalsContact O-CG 3.28Å; C288-K292 WeakPolarHBondContact O-CG 3.32Å; C288-K292 PolarHBondContact O-N 3.45Å; C288-K292 VanDerWaalsContact O-N 3.12Å; R289-K292 PolarHBondContact O-N 3.33Å; K292-E295 PolarHBondContact O-N 2.91Å; K292-R296 WeakPolarHBondContact O-CB 3.42Å; K292-R296 PolarHBondContact O-N 3.46Å
293	E	98.7	Very high	98.1	Very high	59 Å²	59	49 Å²	49	28%	0.276	22%	0.221	S	C	.	.	H	α-helix	trans	-70.3	-40	179.8	-173.4	59.7	-164.8	0	0	112.1	L199 R289 G290 L291 E295 R296 L297	L199-E293 HydrophobicContact CD2-CB 4.06Å; L199-E293 HydrophobicContact CD2-CG 3.58Å; R289-E293 WeakPolarHBondContact O-CB 3.23Å; R289-E293 PolarHBondContact O-N 3.34Å; R289-E293 VanDerWaalsContact O-N 3.09Å; G290-E293 PolarHBondContact O-N 2.92Å; L291-E293 VanDerWaalsContact C-N 3.35Å; E293-E295 VanDerWaalsContact C-N 3.35Å; E293-R296 VanDerWaalsContact CD-NE 3.32Å; E293-R296 WeakPolarHBondContact O-CB 3.45Å; E293-R296 PolarHBondContact O-N 3.31Å; E293-R296 IonicContact OE1-CZ 2.7Å; E293-R296 VanDerWaalsContact OE1-CZ 3.29Å; E293-R296 IonicContact OE1-NE 3.18Å; E293-R296 PolarHBondContact OE1-NE 3.04Å; E293-R296 VanDerWaalsContact OE1-NE 3.07Å; E293-R296 IonicContact OE1-NH2 3.56Å; E293-R296 PolarHBondContact OE1-NH2 3.27Å; E293-R296 IonicContact OE2-CZ 3.13Å; E293-R296 IonicContact OE2-NE 2.71Å; E293-R296 PolarHBondContact OE2-NE 3.09Å; E293-L297 HydrophobicContact CG-CD1 3.98Å; E293-L297 WeakPolarHBondContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CD1 3.36Å; E293-L297 VanDerWaalsContact O-CG 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.15Å; E293-L297 PolarHBondContact O-N 3.02Å
294	V	98.4	Very high	98.1	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-45.1	172.4	172.1	0	0	0	0	110.8	L196 L199 I261 G290 R296 L297 I298 F305	L196-V294 HydrophobicContact CD2-CG1 4.48Å; L196-V294 HydrophobicContact CD2-CG2 3.73Å; L199-V294 HydrophobicContact CD1-CG2 4.11Å; L199-V294 HydrophobicContact CD2-CG2 4.2Å; I261-V294 HydrophobicContact CD1-CG2 4.1Å; G290-V294 VanDerWaalsContact O-CG2 3.28Å; G290-V294 WeakPolarHBondContact O-CG2 3.5Å; G290-V294 PolarHBondContact O-N 3.28Å; V294-R296 VanDerWaalsContact C-N 3.35Å; V294-R296 PolarHBondContact O-N 3Å; V294-L297 PolarHBondContact O-N 3.09Å; V294-I298 HydrophobicContact CG1-CD1 3.78Å; V294-I298 HydrophobicContact CG1-CG1 4.48Å; V294-I298 WeakPolarHBondContact O-CG1 3.5Å; V294-I298 PolarHBondContact O-N 3.47Å; V294-F305 HydrophobicContact CG1-CZ 4.33Å
295	E	98.1	Very high	98.1	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-46.4	176.7	-171.4	161	-168.8	0	0	111.7	L291 K292 E293 L297 I298 Q299 F305 Y313	L291-E295 WeakPolarHBondContact O-CB 3.42Å; L291-E295 PolarHBondContact O-N 2.94Å; K292-E295 PolarHBondContact O-N 2.91Å; E293-E295 VanDerWaalsContact C-N 3.35Å; E295-L297 PolarHBondContact O-N 3.22Å; E295-I298 PolarHBondContact O-N 3.16Å; E295-Q299 WeakPolarHBondContact O-CB 3.33Å; E295-Q299 VanDerWaalsContact O-CG 3.27Å; E295-Q299 WeakPolarHBondContact O-CG 3.34Å; E295-Q299 PolarHBondContact O-N 3.35Å; E295-Q299 PolarHBondContact OE1-NE2 3.24Å; E295-F305 HydrophobicContact CB-CD2 4.2Å; E295-F305 HydrophobicContact CB-CE2 3.63Å; E295-F305 HydrophobicContact CG-CD2 3.73Å; E295-F305 HydrophobicContact CG-CE2 3.7Å; E295-Y313 PolarHBondContact OE2-OH 3.08Å
296	R	98.7	Very high	98.1	Very high	94 Å²	94	49 Å²	49	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-57.4	-47.6	176.9	-167.6	-167.1	71.4	66.8	9.1	111.8	K292 E293 V294 Q299 E300	K292-R296 WeakPolarHBondContact O-CB 3.42Å; K292-R296 PolarHBondContact O-N 3.46Å; E293-R296 VanDerWaalsContact CD-NE 3.32Å; E293-R296 WeakPolarHBondContact O-CB 3.45Å; E293-R296 PolarHBondContact O-N 3.31Å; E293-R296 IonicContact OE1-CZ 2.7Å; E293-R296 VanDerWaalsContact OE1-CZ 3.29Å; E293-R296 IonicContact OE1-NE 3.18Å; E293-R296 PolarHBondContact OE1-NE 3.04Å; E293-R296 VanDerWaalsContact OE1-NE 3.07Å; E293-R296 IonicContact OE1-NH2 3.56Å; E293-R296 PolarHBondContact OE1-NH2 3.27Å; E293-R296 IonicContact OE2-CZ 3.13Å; E293-R296 IonicContact OE2-NE 2.71Å; E293-R296 PolarHBondContact OE2-NE 3.09Å; V294-R296 VanDerWaalsContact C-N 3.35Å; V294-R296 PolarHBondContact O-N 3Å; R296-Q299 PolarHBondContact O-N 2.81Å; R296-E300 IonicContact CZ-OE1 2.82Å; R296-E300 IonicContact CZ-OE2 3.55Å; R296-E300 IonicContact NH1-OE1 2.69Å; R296-E300 PolarHBondContact NH1-OE1 3.38Å; R296-E300 IonicContact NH1-OE2 3.12Å; R296-E300 PolarHBondContact NH1-OE2 2.93Å; R296-E300 IonicContact NH2-OE2 3.35Å; R296-E300 WeakPolarHBondContact O-CG 3.36Å; R296-E300 PolarHBondContact O-N 3.24Å
297	L	98.4	Very high	98.1	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-34.7	-178	-72.7	162.6	0	0	0	113	A195 L199 E293 V294 E295	A195-L297 HydrophobicContact CB-CB 4.03Å; A195-L297 WeakPolarHBondContact O-CD1 3.43Å; L199-L297 HydrophobicContact CD2-CD1 3.86Å; L199-L297 HydrophobicContact CG-CD1 4.24Å; E293-L297 HydrophobicContact CG-CD1 3.98Å; E293-L297 WeakPolarHBondContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CD1 3.36Å; E293-L297 VanDerWaalsContact O-CG 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.15Å; E293-L297 PolarHBondContact O-N 3.02Å; V294-L297 PolarHBondContact O-N 3.09Å; E295-L297 PolarHBondContact O-N 3.22Å
298	I	97.1	Very high	98.1	Very high	4 Å²	4	55 Å²	55	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-42.5	174	-70.8	173.3	0	0	0	110.3	I171 V191 A195 V294 E295 E300 R301 W303 F305	I171-I298 HydrophobicContact CD1-CD1 3.95Å; I171-I298 HydrophobicContact CD1-CG2 4.3Å; V191-I298 HydrophobicContact CG1-CG2 4.35Å; A195-I298 HydrophobicContact CB-CD1 4.37Å; A195-I298 HydrophobicContact CB-CG1 3.49Å; A195-I298 VanDerWaalsContact CB-CG1 3.49Å; V294-I298 HydrophobicContact CG1-CD1 3.78Å; V294-I298 HydrophobicContact CG1-CG1 4.48Å; V294-I298 WeakPolarHBondContact O-CG1 3.5Å; V294-I298 PolarHBondContact O-N 3.47Å; E295-I298 PolarHBondContact O-N 3.16Å; I298-E300 PolarHBondContact O-N 3.28Å; I298-R301 PolarHBondContact O-N 3.01Å; I298-R301 VanDerWaalsContact O-N 3.09Å; I298-W303 HydrophobicContact CG2-CB 3.42Å; I298-W303 VanDerWaalsContact CG2-CB 3.42Å; I298-W303 PolarHBondContact O-N 3.21Å; I298-F305 HydrophobicContact CD1-CE1 3.64Å; I298-F305 HydrophobicContact CD1-CZ 3.65Å
299	Q	97.4	Very high	98	Very high	99 Å²	99	59.8 Å²	59.8	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-36.3	177.1	-73.8	172.3	2.1	0	0	113.2	E295 R296 R301 G302 W303	E295-Q299 WeakPolarHBondContact O-CB 3.33Å; E295-Q299 VanDerWaalsContact O-CG 3.27Å; E295-Q299 WeakPolarHBondContact O-CG 3.34Å; E295-Q299 PolarHBondContact O-N 3.35Å; E295-Q299 PolarHBondContact OE1-NE2 3.24Å; R296-Q299 PolarHBondContact O-N 2.81Å; Q299-R301 PolarHBondContact O-N 3.24Å; Q299-R301 VanDerWaalsContact O-N 3.09Å; Q299-G302 PolarHBondContact O-N 3.34Å; Q299-W303 VanDerWaalsContact CA-O 3.32Å; Q299-W303 WeakPolarHBondContact CA-O 3.49Å
300	E	96.8	Very high	98	Very high	123 Å²	123	57.1 Å²	57.1	58%	0.575	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.7	173.2	-79.2	-175	153.2	0	0	113.3	R296 I298	R296-E300 IonicContact CZ-OE1 2.82Å; R296-E300 IonicContact CZ-OE2 3.55Å; R296-E300 IonicContact NH1-OE1 2.69Å; R296-E300 PolarHBondContact NH1-OE1 3.38Å; R296-E300 IonicContact NH1-OE2 3.12Å; R296-E300 PolarHBondContact NH1-OE2 2.93Å; R296-E300 IonicContact NH2-OE2 3.35Å; R296-E300 WeakPolarHBondContact O-CG 3.36Å; R296-E300 PolarHBondContact O-N 3.24Å; I298-E300 PolarHBondContact O-N 3.28Å
301	R	94.3	Very high	98	Very high	169 Å²	169	57.1 Å²	57.1	64%	0.638	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	4.9	177.3	-58.2	-62.4	-171.9	168.8	3.2	113.3	I298 Q299	I298-R301 PolarHBondContact O-N 3.01Å; I298-R301 VanDerWaalsContact O-N 3.09Å; Q299-R301 PolarHBondContact O-N 3.24Å; Q299-R301 VanDerWaalsContact O-N 3.09Å
302	G	97.3	Very high	98	Very high	45 Å²	45	57.1 Å²	57.1	46%	0.464	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	10.7	178.4	0	0	0	0	0	114.9	Q299	Q299-G302 PolarHBondContact O-N 3.34Å
303	W	98.5	Very high	98	Very high	63 Å²	63	52.8 Å²	52.8	24%	0.239	24%	0.24	C	C	.	.			trans	-97.3	153.3	176.5	-67.8	96.8	0	0	0	111.4	I171 L174 E187 V191 I298 Q299	I171-W303 HydrophobicContact CG2-CB 4.34Å; I171-W303 HydrophobicContact CG2-CD2 4Å; I171-W303 HydrophobicContact CG2-CE3 3.39Å; I171-W303 HydrophobicContact CG2-CG 4.42Å; I171-W303 HydrophobicContact CG2-CZ3 3.98Å; L174-W303 HydrophobicContact CD1-CH2 4Å; L174-W303 HydrophobicContact CD1-CZ3 3.86Å; L174-W303 HydrophobicContact CD2-CH2 4.41Å; L174-W303 HydrophobicContact CG-CH2 4.23Å; L174-W303 HydrophobicContact CG-CZ3 3.96Å; E187-W303 HydrophobicContact CG-CH2 4.02Å; E187-W303 HydrophobicContact CG-CZ2 4.08Å; E187-W303 WeakPolarHBondContact OE1-CZ2 3.14Å; V191-W303 HydrophobicContact CG1-CB 4.36Å; V191-W303 HydrophobicContact CG1-CD2 4.34Å; V191-W303 HydrophobicContact CG1-CG 3.94Å; V191-W303 HydrophobicContact CG2-CD2 4.01Å; V191-W303 VanDerWaalsContact CG2-CE2 3.42Å; V191-W303 HydrophobicContact CG2-CG 4.29Å; V191-W303 HydrophobicContact CG2-CH2 4.49Å; V191-W303 HydrophobicContact CG2-CZ2 3.71Å; I298-W303 HydrophobicContact CG2-CB 3.42Å; I298-W303 VanDerWaalsContact CG2-CB 3.42Å; I298-W303 PolarHBondContact O-N 3.21Å; Q299-W303 VanDerWaalsContact CA-O 3.32Å; Q299-W303 WeakPolarHBondContact CA-O 3.49Å
304	E	98	Very high	98	Very high	62 Å²	62	50 Å²	50	29%	0.29	23%	0.227	S	C	.	.			trans	-126.1	158.8	175.9	-64	-172	129.3	0	0	110.7	R172	R172-E304 HydrophobicContact CB-CB 4.28Å; R172-E304 WeakPolarHBondContact CB-O 3.44Å; R172-E304 IonicContact CZ-OE2 2.79Å; R172-E304 PolarHBondContact N-O 2.87Å; R172-E304 IonicContact NH1-OE2 3.18Å; R172-E304 PolarHBondContact NH1-OE2 2.83Å
305	F	98.7	Very high	98	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.039	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-81.1	145	163.5	-66.9	-45.1	0	0	0	111.3	R169 S170 I171 V294 E295 I298 W307 Y313	R169-F305 HydrophobicContact CB-CD1 3.61Å; R169-F305 HydrophobicContact CB-CD2 4.4Å; R169-F305 HydrophobicContact CB-CE1 3.44Å; R169-F305 VanDerWaalsContact CB-CE1 3.44Å; R169-F305 HydrophobicContact CB-CE2 4.24Å; R169-F305 HydrophobicContact CB-CG 4.1Å; R169-F305 HydrophobicContact CB-CZ 3.77Å; R169-F305 HydrophobicContact CG-CD1 4.24Å; R169-F305 HydrophobicContact CG-CD2 4.14Å; R169-F305 HydrophobicContact CG-CE1 4.01Å; R169-F305 HydrophobicContact CG-CE2 3.87Å; R169-F305 HydrophobicContact CG-CG 4.3Å; R169-F305 HydrophobicContact CG-CZ 3.81Å; S170-F305 CarbonylContact O-C 3.54Å; S170-F305 VanDerWaalsContact O-CA 3.23Å; S170-F305 WeakPolarHBondContact O-CA 3.23Å; I171-F305 HydrophobicContact CD1-CD1 3.88Å; I171-F305 HydrophobicContact CD1-CE1 3.65Å; V294-F305 HydrophobicContact CG1-CZ 4.33Å; E295-F305 HydrophobicContact CB-CD2 4.2Å; E295-F305 HydrophobicContact CB-CE2 3.63Å; E295-F305 HydrophobicContact CG-CD2 3.73Å; E295-F305 HydrophobicContact CG-CE2 3.7Å; I298-F305 HydrophobicContact CD1-CE1 3.64Å; I298-F305 HydrophobicContact CD1-CZ 3.65Å; F305-W307 PolarHBondContact O-N 3.22Å; F305-W307 VanDerWaalsContact O-N 3.16Å; F305-Y313 HydrophobicContact CB-CD1 4.26Å; F305-Y313 HydrophobicContact CB-CE1 4.1Å; F305-Y313 HydrophobicContact CD2-CE1 4.27Å
306	M	98.8	Very high	98	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.216	C	C	.	.			trans	-65.3	112.7	170.4	-59.6	-178.7	179.5	0	0	109.5	E113 S170 I171 R172 L174 L176 I314	E113-M306 HydrophobicContact CB-CE 4.25Å; E113-M306 HydrophobicContact CB-CG 4.37Å; E113-M306 HydrophobicContact CB-SD 3.85Å; E113-M306 HydrophobicContact CG-CB 4.26Å; E113-M306 HydrophobicContact CG-CG 4.26Å; E113-M306 HydrophobicContact CG-SD 4.2Å; S170-M306 VanDerWaalsContact CB-SD 3.56Å; S170-M306 PolarHBondContact O-N 3.06Å; I171-M306 VanDerWaalsContact O-CE 3.27Å; I171-M306 WeakPolarHBondContact O-CE 3.18Å; R172-M306 HydrophobicContact CB-CG 4.09Å; L174-M306 WeakPolarHBondContact O-CE 3.25Å; L176-M306 HydrophobicContact CD2-CE 4.11Å; L176-M306 HydrophobicContact CD2-SD 3.95Å; M306-I314 HydrophobicContact CB-CB 3.79Å; M306-I314 HydrophobicContact CB-CD1 4.43Å; M306-I314 HydrophobicContact CB-CG2 4.37Å; M306-I314 PolarHBondContact O-N 3.28Å; M306-I314 HydrophobicContact SD-CG2 4.23Å
307	W	98.7	Very high	98	Very high	104 Å²	104	44.9 Å²	44.9	39%	0.394	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	140.7	-178.9	-179.9	98.6	0	0	0	111.2	R172 F305 E309 G312 Y313	R172-W307 PolarHBondContact NH2-O 3.28Å; F305-W307 PolarHBondContact O-N 3.22Å; F305-W307 VanDerWaalsContact O-N 3.16Å; W307-E309 HydrophobicContact CH2-CB 4.28Å; W307-G312 VanDerWaalsContact CA-O 3.3Å; W307-G312 WeakPolarHBondContact CA-O 3.43Å; W307-Y313 HydrophobicContact CB-CD1 4.11Å; W307-Y313 HydrophobicContact CB-CE1 4.34Å; W307-Y313 AromaticContact CD1-CD1 3.83Å; W307-Y313 AromaticContact CD1-CD2 3.9Å; W307-Y313 AromaticContact CD1-CE1 3.97Å; W307-Y313 AromaticContact CD1-CG 3.82Å; W307-Y313 HydrophobicContact CG-CD1 4.37Å; W307-Y313 HydrophobicContact CG-CE1 4.47Å
308	N	98.4	Very high	98	Very high	39 Å²	39	44.2 Å²	44.2	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.3	167.3	71.2	49.2	0	0	0	111.9	R310 L311 G312	N308-R310 VanDerWaalsContact C-N 3.3Å; N308-R310 PolarHBondContact O-N 3.24Å; N308-R310 WeakPolarHBondContact OD1-CG 3.32Å; N308-R310 PolarHBondContact OD1-N 2.81Å; N308-R310 VanDerWaalsContact OD1-N 3.14Å; N308-L311 WeakPolarHBondContact OD1-CB 3.26Å; N308-L311 PolarHBondContact OD1-N 2.71Å; N308-G312 PolarHBondContact N-O 2.85Å; N308-G312 VanDerWaalsContact O-CA 3.29Å; N308-G312 WeakPolarHBondContact O-CA 3.49Å; N308-G312 PolarHBondContact O-N 2.94Å
309	E	97.8	Very high	98	Very high	104 Å²	104	44.8 Å²	44.8	49%	0.486	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-24	-172.9	63.5	171.6	-171.2	0	0	115	K140 H141 W307	K140-E309 CarbonylContact C-O 3.55Å; K140-E309 WeakPolarHBondContact CA-O 3.46Å; K140-E309 HydrophobicContact CD-CG 4.48Å; K140-E309 WeakPolarHBondContact CE-OE1 3.14Å; K140-E309 WeakPolarHBondContact CE-OE2 3.49Å; K140-E309 IonicContact NZ-OE1 3.76Å; K140-E309 PolarHBondContact NZ-OE1 3.17Å; K140-E309 IonicContact NZ-OE2 2.86Å; K140-E309 PolarHBondContact NZ-OE2 3.44Å; H141-E309 PolarHBondContact N-O 3.38Å; W307-E309 HydrophobicContact CH2-CB 4.28Å
310	R	97.9	Very high	98	Very high	54 Å²	54	40.6 Å²	40.6	20%	0.204	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-30.1	-177.6	64.2	164.7	-170	115.5	-1	112.5	Y116 D124 Y134 N308	Y116-R310 PolarHBondContact O-NH2 3.07Å; D124-R310 IonicContact OD1-NH1 3.15Å; D124-R310 PolarHBondContact OD1-NH1 3.15Å; Y134-R310 WeakPolarHBondContact CE1-O 3.44Å; Y134-R310 PolarHBondContact OH-O 2.95Å; N308-R310 VanDerWaalsContact C-N 3.3Å; N308-R310 PolarHBondContact O-N 3.24Å; N308-R310 WeakPolarHBondContact OD1-CG 3.32Å; N308-R310 PolarHBondContact OD1-N 2.81Å; N308-R310 VanDerWaalsContact OD1-N 3.14Å
311	L	98.4	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-11.5	-175.7	-61.5	-166.6	0	0	0	113.3	Y116 I127 P136 N308 I314 L321 G322 I376	Y116-L311 HydrophobicContact CD1-CD1 3.8Å; Y116-L311 HydrophobicContact CD2-CD1 4.39Å; Y116-L311 HydrophobicContact CG-CD1 3.71Å; I127-L311 HydrophobicContact CD1-CD2 4.01Å; P136-L311 HydrophobicContact CB-CD2 3.61Å; P136-L311 HydrophobicContact CG-CD2 4.41Å; N308-L311 WeakPolarHBondContact OD1-CB 3.26Å; N308-L311 PolarHBondContact OD1-N 2.71Å; L311-I314 HydrophobicContact CB-CG1 4.42Å; L311-L321 HydrophobicContact CB-CD2 4.43Å; L311-L321 HydrophobicContact CD1-CD1 4.24Å; L311-L321 HydrophobicContact CD1-CD2 4.39Å; L311-L321 HydrophobicContact CD2-CD1 4.26Å; L311-G322 WeakPolarHBondContact O-CA 3.45Å; L311-G322 PolarHBondContact O-N 2.93Å; L311-I376 WeakPolarHBondContact O-CD1 3.17Å
312	G	98.6	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.5	-141.7	-168.4	0	0	0	0	0	111.5	H141 W307 N308	H141-G312 VanDerWaalsContact CD2-CA 3.44Å; H141-G312 WeakPolarHBondContact CD2-CA 3.43Å; W307-G312 VanDerWaalsContact CA-O 3.3Å; W307-G312 WeakPolarHBondContact CA-O 3.43Å; N308-G312 PolarHBondContact N-O 2.85Å; N308-G312 VanDerWaalsContact O-CA 3.29Å; N308-G312 WeakPolarHBondContact O-CA 3.49Å; N308-G312 PolarHBondContact O-N 2.94Å
313	Y	98.8	Very high	98.3	Very high	14 Å²	14	24.6 Å²	24.6	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.8	173.5	-69.1	-78.4	0	0	0	110.5	T143 R169 E295 F305 W307 G322	T143-Y313 HydrophobicContact CG2-CE2 4.06Å; R169-Y313 VanDerWaalsContact CD-CD1 3.49Å; R169-Y313 VanDerWaalsContact CZ-CD2 3.45Å; R169-Y313 VanDerWaalsContact CZ-CE2 3.48Å; R169-Y313 VanDerWaalsContact NE-CE1 3.35Å; R169-Y313 VanDerWaalsContact NH2-CD2 3.32Å; E295-Y313 PolarHBondContact OE2-OH 3.08Å; F305-Y313 HydrophobicContact CB-CD1 4.26Å; F305-Y313 HydrophobicContact CB-CE1 4.1Å; F305-Y313 HydrophobicContact CD2-CE1 4.27Å; W307-Y313 HydrophobicContact CB-CD1 4.11Å; W307-Y313 HydrophobicContact CB-CE1 4.34Å; W307-Y313 AromaticContact CD1-CD1 3.83Å; W307-Y313 AromaticContact CD1-CD2 3.9Å; W307-Y313 AromaticContact CD1-CE1 3.97Å; W307-Y313 AromaticContact CD1-CG 3.82Å; W307-Y313 HydrophobicContact CG-CD1 4.37Å; W307-Y313 HydrophobicContact CG-CE1 4.47Å; Y313-G322 PolarHBondContact N-O 2.92Å; Y313-G322 PolarHBondContact O-N 3.07Å
314	I	98.9	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.101	C	C	.	.			trans	-92.6	131.6	-177.9	-66.9	169.2	0	0	0	109.3	E113 Y116 S170 M306 L311	E113-I314 HydrophobicContact CG-CD1 3.5Å; E113-I314 VanDerWaalsContact CG-CD1 3.5Å; Y116-I314 HydrophobicContact CD2-CG2 3.7Å; Y116-I314 HydrophobicContact CE2-CG2 3.59Å; S170-I314 WeakPolarHBondContact CB-O 3.41Å; S170-I314 PolarHBondContact OG-O 3.44Å; M306-I314 HydrophobicContact CB-CB 3.79Å; M306-I314 HydrophobicContact CB-CD1 4.43Å; M306-I314 HydrophobicContact CB-CG2 4.37Å; M306-I314 PolarHBondContact O-N 3.28Å; M306-I314 HydrophobicContact SD-CG2 4.23Å; L311-I314 HydrophobicContact CB-CG1 4.42Å
315	L	98.8	Very high	98.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.088	C	C	.	.			trans	-135.8	169.7	177.3	-67.6	179	0	0	0	110	Y116 G168 D267 C317 N320	Y116-L315 WeakPolarHBondContact CE2-O 3.5Å; Y116-L315 PolarHBondContact OH-O 3.41Å; G168-L315 VanDerWaalsContact C-CD2 3.46Å; D267-L315 HydrophobicContact CB-CD2 4.11Å; L315-C317 PolarHBondContact O-N 3.13Å; L315-N320 HydrophobicContact CB-CB 4.05Å; L315-N320 HydrophobicContact CD1-CB 3.75Å; L315-N320 WeakPolarHBondContact CD1-O 3.49Å
316	T	98.8	Very high	98.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	9%	0.087	C	C	.	.	S	Bend	trans	-60.7	-47.6	-173.2	-51.1	0	0	0	0	113	V109 A110 P177 P178 M241 E266 D267	V109-T316 WeakPolarHBondContact CA-O 3.33Å; V109-T316 HydrophobicContact CB-CG2 4.14Å; V109-T316 HydrophobicContact CG1-CG2 4.32Å; A110-T316 PolarHBondContact N-O 3.17Å; P177-T316 WeakPolarHBondContact CD-OG1 3.22Å; P178-T316 HydrophobicContact CG-CG2 3.35Å; M241-T316 HydrophobicContact CE-CG2 4.2Å; M241-T316 HydrophobicContact SD-CG2 4.23Å; E266-T316 PolarHBondContact O-OG1 3.04Å; D267-T316 VanDerWaalsContact OD1-CB 3.25Å; D267-T316 WeakPolarHBondContact OD1-CB 3.46Å; D267-T316 PolarHBondContact OD1-N 3.2Å; D267-T316 PolarHBondContact OD1-OG1 3.19Å
317	C	98.3	Very high	98.2	Very high	33 Å²	33	18.5 Å²	18.5	22%	0.223	9%	0.087	C	C	.	.	S	Bend	trans	-95.1	130.4	-178.3	-176.6	0	0	0	0	110.3	L315 S319 N320	L315-C317 PolarHBondContact O-N 3.13Å; C317-S319 PolarHBondContact O-N 2.87Å; C317-S319 PolarHBondContact SG-OG 3.07Å; C317-N320 PolarHBondContact O-N 3.26Å
318	P	98.3	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-55.1	-26.6	177.2	-28.9	35	0	0	0	114.3	V106 M108 Y116 F123 I127 H131 N320 L321	V106-P318 HydrophobicContact CG1-CB 3.94Å; V106-P318 HydrophobicContact CG1-CG 3.82Å; M108-P318 HydrophobicContact CG-CG 4.2Å; M108-P318 VanDerWaalsContact O-CD 3.27Å; M108-P318 WeakPolarHBondContact O-CD 3.45Å; Y116-P318 HydrophobicContact CE1-CG 4.22Å; F123-P318 HydrophobicContact CD1-CG 3.81Å; F123-P318 HydrophobicContact CE1-CG 3.7Å; I127-P318 HydrophobicContact CG1-CB 4.15Å; H131-P318 PolarHBondContact NE2-O 3.33Å; P318-N320 PolarHBondContact O-N 2.82Å; P318-L321 HydrophobicContact CB-CD1 4.48Å; P318-L321 WeakPolarHBondContact O-CG 3.32Å; P318-L321 PolarHBondContact O-N 2.98Å
319	S	95.9	Very high	98.1	Very high	17 Å²	17	12.1 Å²	12.1	12%	0.119	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-67	-13.7	176.1	71.3	0	0	0	0	114.6	H131 C317 R375	H131-S319 PolarHBondContact CE1-O 3.44Å; C317-S319 PolarHBondContact O-N 2.87Å; C317-S319 PolarHBondContact SG-OG 3.07Å; S319-R375 WeakPolarHBondContact O-CD 3.46Å
320	N	97.8	Very high	98.1	Very high	11 Å²	11	9.4 Å²	9.4	6%	0.059	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-106.7	8.9	-179	-62.5	-33.2	0	0	0	113.1	R270 L315 C317 P318 G324 R375	R270-N320 PolarHBondContact NH2-ND2 3.06Å; L315-N320 HydrophobicContact CB-CB 4.05Å; L315-N320 HydrophobicContact CD1-CB 3.75Å; L315-N320 WeakPolarHBondContact CD1-O 3.49Å; C317-N320 PolarHBondContact O-N 3.26Å; P318-N320 PolarHBondContact O-N 2.82Å; N320-G324 WeakPolarHBondContact O-CA 3.21Å; N320-G324 PolarHBondContact O-N 3.12Å; N320-R375 PolarHBondContact OD1-NH1 3.25Å; N320-R375 PolarHBondContact OD1-NH2 2.84Å
321	L	98.4	Very high	98.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.			trans	-65.4	171.7	174.4	-66.3	174.2	0	0	0	112.8	Y116 I127 L311 P318 T323 R375 I376	Y116-L321 HydrophobicContact CD1-CD1 4.33Å; Y116-L321 HydrophobicContact CE1-CD1 3.71Å; Y116-L321 HydrophobicContact CE1-CD2 4.11Å; Y116-L321 HydrophobicContact CE1-CG 4.32Å; Y116-L321 HydrophobicContact CE2-CD2 4.13Å; I127-L321 HydrophobicContact CD1-CD1 3.46Å; I127-L321 VanDerWaalsContact CD1-CD1 3.46Å; I127-L321 HydrophobicContact CG1-CD1 3.73Å; L311-L321 HydrophobicContact CB-CD2 4.43Å; L311-L321 HydrophobicContact CD1-CD1 4.24Å; L311-L321 HydrophobicContact CD1-CD2 4.39Å; L311-L321 HydrophobicContact CD2-CD1 4.26Å; P318-L321 HydrophobicContact CB-CD1 4.48Å; P318-L321 WeakPolarHBondContact O-CG 3.32Å; P318-L321 PolarHBondContact O-N 2.98Å; L321-T323 PolarHBondContact O-N 3.28Å; L321-R375 CarbonylContact O-C 3.58Å; L321-I376 HydrophobicContact CB-CD1 4.11Å
322	G	98.3	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	81.1	-108.4	178.8	0	0	0	0	0	110.5	L311 Y313	L311-G322 WeakPolarHBondContact O-CA 3.45Å; L311-G322 PolarHBondContact O-N 2.93Å; Y313-G322 PolarHBondContact N-O 2.92Å; Y313-G322 PolarHBondContact O-N 3.07Å
323	T	98.4	Very high	97.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23.6	176.7	62.4	0	0	0	0	112.6	H141 T167 L321 L325 R375 R378 E380 L383	H141-T323 PolarHBondContact NE2-N 2.92Å; T167-T323 PolarHBondContact OG1-O 2.81Å; L321-T323 PolarHBondContact O-N 3.28Å; T323-L325 PolarHBondContact O-N 3.47Å; T323-L325 VanDerWaalsContact OG1-CB 3.31Å; T323-L325 WeakPolarHBondContact OG1-CB 3.44Å; T323-L325 PolarHBondContact OG1-N 3.17Å; T323-R375 WeakPolarHBondContact CB-O 3.36Å; T323-R375 WeakPolarHBondContact CG2-O 3.16Å; T323-R375 PolarHBondContact N-O 3.37Å; T323-R375 PolarHBondContact OG1-O 3.1Å; T323-R378 VanDerWaalsContact CG2-O 3.3Å; T323-R378 WeakPolarHBondContact CG2-O 3.37Å; T323-E380 HydrophobicContact CG2-CG 3.8Å; T323-L383 HydrophobicContact CG2-CD1 3.82Å; T323-L383 WeakPolarHBondContact OG1-CD1 3.46Å
324	G	97.3	Very high	97.9	Very high	2 Å²	2	13 Å²	13	2%	0.021	7%	0.066	C	C	.	.			trans	59.3	4	-163	0	0	0	0	0	114.5	N320 R375	N320-G324 WeakPolarHBondContact O-CA 3.21Å; N320-G324 PolarHBondContact O-N 3.12Å; G324-R375 PolarHBondContact O-NH1 3Å
325	L	98.2	Very high	97.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.			trans	-79.7	134.2	-163.6	-173.8	147.1	0	0	0	111.5	V165 R166 F284 F287 T323 A327 N372 R375 E380 L383 V384	V165-L325 HydrophobicContact CG1-CD1 3.87Å; V165-L325 HydrophobicContact CG1-CG 4.07Å; R166-L325 CarbonylContact O-C 3.59Å; R166-L325 VanDerWaalsContact O-CA 3.28Å; R166-L325 WeakPolarHBondContact O-CA 3.31Å; F284-L325 HydrophobicContact CE2-CD1 4.16Å; F287-L325 HydrophobicContact CE1-CD1 4.06Å; F287-L325 HydrophobicContact CZ-CD1 4.4Å; T323-L325 PolarHBondContact O-N 3.47Å; T323-L325 VanDerWaalsContact OG1-CB 3.31Å; T323-L325 WeakPolarHBondContact OG1-CB 3.44Å; T323-L325 PolarHBondContact OG1-N 3.17Å; L325-A327 HydrophobicContact CD2-CB 3.79Å; L325-N372 PolarHBondContact O-ND2 2.92Å; L325-R375 WeakPolarHBondContact O-CD 3.26Å; L325-E380 HydrophobicContact CB-CG 4.44Å; L325-E380 HydrophobicContact CD1-CB 3.69Å; L325-E380 HydrophobicContact CD1-CG 3.67Å; L325-L383 HydrophobicContact CB-CD1 4.4Å; L325-L383 HydrophobicContact CD2-CB 4.03Å; L325-L383 HydrophobicContact CD2-CD1 4.41Å; L325-V384 HydrophobicContact CD1-CG2 4.29Å; L325-V384 HydrophobicContact CD2-CG2 4.25Å
326	R	97.8	Very high	97.8	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.026	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	100	164.7	178.2	-171.4	169.6	95.5	1.2	108	R166 D369 S371 N372	R166-R326 HydrophobicContact CG-CB 3.86Å; R166-R326 PolarHBondContact N-O 2.58Å; R166-R326 PolarHBondContact O-N 2.95Å; R326-D369 IonicContact CZ-OD1 2.83Å; R326-D369 IonicContact CZ-OD2 3.78Å; R326-D369 IonicContact NE-OD2 3.37Å; R326-D369 IonicContact NH2-OD1 2.81Å; R326-D369 PolarHBondContact NH2-OD1 3.48Å; R326-D369 IonicContact NH2-OD2 2.71Å; R326-D369 PolarHBondContact NH2-OD2 3.33Å; R326-S371 PolarHBondContact NE-OG 3.41Å; R326-S371 PolarHBondContact NH1-OG 2.62Å; R326-S371 PolarHBondContact NH2-OG 2.9Å; R326-N372 WeakPolarHBondContact CA-OD1 3.32Å
327	A	98.2	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.9	166.5	0	0	0	0	0	108.7	R164 V165 L325 S371 N372 V384 V387	R164-A327 CarbonylContact O-C 3.51Å; R164-A327 WeakPolarHBondContact O-CA 3.4Å; V165-A327 HydrophobicContact CG2-CB 3.97Å; L325-A327 HydrophobicContact CD2-CB 3.79Å; A327-S371 WeakPolarHBondContact O-CA 3.33Å; A327-S371 WeakPolarHBondContact O-CB 3.49Å; A327-N372 PolarHBondContact N-OD1 3.29Å; A327-N372 PolarHBondContact O-N 3.12Å; A327-N372 PolarHBondContact O-OD1 2.89Å; A327-N372 VanDerWaalsContact O-OD1 3.1Å; A327-V384 HydrophobicContact CB-CG2 3.97Å; A327-V387 HydrophobicContact CB-CB 4.44Å; A327-V387 HydrophobicContact CB-CG2 4.08Å; A327-V387 WeakPolarHBondContact O-CG2 3.42Å
328	G	97.6	Very high	97.5	Very high	5 Å²	5	25.1 Å²	25.1	5%	0.052	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	174.9	-178.4	0	0	0	0	0	113.8	R164 M280 I370	R164-G328 PolarHBondContact N-O 3.31Å; R164-G328 PolarHBondContact O-N 3.28Å; M280-G328 WeakPolarHBondContact CE-O 3.46Å; G328-I370 CarbonylContact C-O 3.51Å; G328-I370 WeakPolarHBondContact CA-O 3.24Å
329	V	97.9	Very high	97.5	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.7	-177.3	-64.6	0	0	0	0	110.7	F155 V160 S162 M280 V331 D369 I370 V391	F155-V329 HydrophobicContact CD2-CG1 3.84Å; F155-V329 HydrophobicContact CE2-CG1 3.48Å; F155-V329 VanDerWaalsContact CE2-CG1 3.48Å; F155-V329 HydrophobicContact CZ-CG1 4.33Å; V160-V329 HydrophobicContact CG1-CB 3.93Å; V160-V329 HydrophobicContact CG1-CG1 3.86Å; S162-V329 CarbonylContact O-C 3.5Å; S162-V329 VanDerWaalsContact O-CA 3.23Å; S162-V329 WeakPolarHBondContact O-CA 3.09Å; M280-V329 HydrophobicContact CE-CG1 3.96Å; V329-V331 HydrophobicContact CG2-CB 4Å; V329-V331 HydrophobicContact CG2-CG1 4.25Å; V329-D369 WeakPolarHBondContact O-CA 3.22Å; V329-I370 HydrophobicContact CG2-CB 4.31Å; V329-I370 PolarHBondContact N-O 3.02Å; V329-I370 PolarHBondContact O-N 3.34Å; V329-V391 HydrophobicContact CG2-CB 4.45Å; V329-V391 HydrophobicContact CG2-CG1 3.9Å; V329-V391 HydrophobicContact CG2-CG2 3.61Å
330	H	97	Very high	97.6	Very high	47 Å²	47	31.3 Å²	31.3	22%	0.218	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.5	154.6	-75	170.5	0	0	0	108.3	V160 L161 S162 T356 V367 Y368	V160-H330 CarbonylContact C-O 3.56Å; V160-H330 WeakPolarHBondContact CA-O 3.41Å; L161-H330 HydrophobicContact CB-CB 4.28Å; L161-H330 PolarHBondContact N-O 2.75Å; S162-H330 PolarHBondContact O-N 3.2Å; S162-H330 WeakPolarHBondContact OG-CB 3.26Å; S162-H330 PolarHBondContact OG-ND1 2.79Å; H330-T356 PolarHBondContact CE1-O 2.64Å; H330-T356 VanDerWaalsContact CE1-O 3.28Å; H330-T356 PolarHBondContact NE2-O 3.5Å; H330-V367 HydrophobicContact CB-CG1 3.86Å; H330-Y368 WeakPolarHBondContact CA-O 3.39Å
331	V	97.6	Very high	97.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.1	-178.1	67.8	0	0	0	0	110.6	Y159 V160 V329 I333 V367 Y368 I370 V395	Y159-V331 WeakPolarHBondContact O-CA 3.32Å; V160-V331 HydrophobicContact CG2-CB 4.33Å; V160-V331 HydrophobicContact CG2-CG2 3.98Å; V329-V331 HydrophobicContact CG2-CB 4Å; V329-V331 HydrophobicContact CG2-CG1 4.25Å; V331-I333 HydrophobicContact CG1-CD1 4.33Å; V331-I333 HydrophobicContact CG1-CG1 4.41Å; V331-I333 HydrophobicContact CG1-CG2 4.49Å; V331-I333 HydrophobicContact CG2-CG2 4.01Å; V331-V367 WeakPolarHBondContact O-CA 3.27Å; V331-Y368 PolarHBondContact N-O 3.4Å; V331-Y368 PolarHBondContact O-N 2.91Å; V331-I370 HydrophobicContact CG1-CB 4.31Å; V331-I370 HydrophobicContact CG1-CG1 3.57Å; V331-V395 HydrophobicContact CG2-CG2 4.2Å
332	R	97.6	Very high	97.5	Very high	109 Å²	109	34.4 Å²	34.4	41%	0.411	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.5	175.8	-174.1	-175.1	-63.1	129.9	-2.5	109.6	Y159 V367	Y159-R332 PolarHBondContact O-N 3.03Å; R332-V367 HydrophobicContact CB-CG2 4.45Å
333	I	96.8	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.			trans	-140.3	63.6	-175.3	47.5	169.9	0	0	0	112.4	V331 K335 L336 S337 F342 D366 Y368 E398	V331-I333 HydrophobicContact CG1-CD1 4.33Å; V331-I333 HydrophobicContact CG1-CG1 4.41Å; V331-I333 HydrophobicContact CG1-CG2 4.49Å; V331-I333 HydrophobicContact CG2-CG2 4.01Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.49Å; I333-L336 HydrophobicContact CB-CB 4.27Å; I333-L336 HydrophobicContact CD1-CD2 4.49Å; I333-S337 WeakPolarHBondContact O-CB 3.19Å; I333-S337 PolarHBondContact O-N 3.22Å; I333-S337 PolarHBondContact O-OG 3.2Å; I333-F342 HydrophobicContact CD1-CE1 4.38Å; I333-F342 HydrophobicContact CD1-CE2 3.85Å; I333-F342 HydrophobicContact CD1-CZ 3.54Å; I333-D366 PolarHBondContact N-O 3.01Å; I333-Y368 HydrophobicContact CD1-CD2 4.23Å; I333-Y368 HydrophobicContact CG1-CD2 3.86Å; I333-Y368 HydrophobicContact CG1-CE2 4.48Å; I333-E398 VanDerWaalsContact C-OE2 3.31Å; I333-E398 WeakPolarHBondContact CA-OE2 3.42Å; I333-E398 HydrophobicContact CB-CG 4.5Å; I333-E398 HydrophobicContact CG2-CB 4.07Å; I333-E398 HydrophobicContact CG2-CG 4.17Å
334	P	97.3	Very high	97.3	Very high	34 Å²	34	42.6 Å²	42.6	22%	0.221	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.3	-171.5	27.1	-37.6	0	0	0	115	K338 D366 E398	P334-K338 WeakPolarHBondContact O-CD 3.41Å; P334-K338 WeakPolarHBondContact O-CE 3.25Å; P334-K338 PolarHBondContact O-NZ 3.4Å; P334-D366 HydrophobicContact CB-CB 3.85Å; P334-D366 WeakPolarHBondContact CB-OD2 3.42Å; P334-E398 WeakPolarHBondContact CD-OE1 3.36Å; P334-E398 WeakPolarHBondContact CG-OE1 3.46Å
335	K	98.1	Very high	97.3	Very high	117 Å²	117	42.5 Å²	42.5	51%	0.509	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-52.6	176.7	-59.7	-67.2	-174.1	173.3	0	110.9	I333 S337 K338 D339 E398 L401 E402	I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.49Å; K335-S337 VanDerWaalsContact C-N 3.29Å; K335-S337 PolarHBondContact O-N 2.93Å; K335-K338 PolarHBondContact O-N 3.01Å; K335-K338 VanDerWaalsContact O-N 3.13Å; K335-D339 PolarHBondContact O-N 2.91Å; K335-E398 VanDerWaalsContact CB-OE1 3.27Å; K335-E398 WeakPolarHBondContact CB-OE1 3.46Å; K335-E398 WeakPolarHBondContact CG-OE1 3.21Å; K335-E398 PolarHBondContact N-OE1 2.74Å; K335-E398 PolarHBondContact N-OE2 2.97Å; K335-L401 HydrophobicContact CB-CB 3.69Å; K335-L401 HydrophobicContact CB-CD1 3.94Å; K335-L401 HydrophobicContact CB-CG 4.48Å; K335-L401 HydrophobicContact CG-CB 4.29Å; K335-E402 HydrophobicContact CG-CG 4.36Å
336	L	98	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.6	-37.3	-176.5	179.6	61	0	0	0	111.7	I333 K338 D339 F342 I345 L394 C397 E398 L401 I407	I333-L336 HydrophobicContact CB-CB 4.27Å; I333-L336 HydrophobicContact CD1-CD2 4.49Å; L336-K338 PolarHBondContact O-N 3.44Å; L336-K338 VanDerWaalsContact O-N 3.15Å; L336-D339 HydrophobicContact CD1-CB 4.44Å; L336-D339 WeakPolarHBondContact O-CB 3.48Å; L336-D339 PolarHBondContact O-N 3.32Å; L336-F342 HydrophobicContact CD1-CD2 4.35Å; L336-F342 HydrophobicContact CD2-CD2 4.22Å; L336-F342 HydrophobicContact CD2-CE2 4.28Å; L336-F342 HydrophobicContact CG-CD2 3.86Å; L336-F342 HydrophobicContact CG-CE2 4.26Å; L336-F342 HydrophobicContact CG-CG 4.46Å; L336-F342 WeakPolarHBondContact O-CB 3.46Å; L336-I345 HydrophobicContact CD1-CD1 4.04Å; L336-L394 HydrophobicContact CD2-CB 4.05Å; L336-L394 HydrophobicContact CD2-CD2 3.7Å; L336-L394 HydrophobicContact CD2-CG 4.45Å; L336-C397 HydrophobicContact CD1-CB 4.2Å; L336-C397 HydrophobicContact CD2-CB 4.01Å; L336-E398 WeakPolarHBondContact CB-OE2 3.36Å; L336-E398 PolarHBondContact N-OE2 2.91Å; L336-L401 HydrophobicContact CB-CD1 4.04Å; L336-L401 HydrophobicContact CD1-CD1 4.26Å; L336-I407 HydrophobicContact CD1-CD1 3.57Å
337	S	95.4	Very high	97.1	Very high	21 Å²	21	47.4 Å²	47.4	15%	0.147	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.6	178.7	59.7	0	0	0	0	114.6	I333 K335	I333-S337 WeakPolarHBondContact O-CB 3.19Å; I333-S337 PolarHBondContact O-N 3.22Å; I333-S337 PolarHBondContact O-OG 3.2Å; K335-S337 VanDerWaalsContact C-N 3.29Å; K335-S337 PolarHBondContact O-N 2.93Å
338	K	96.3	Very high	97	Very high	153 Å²	153	48.1 Å²	48.1	67%	0.665	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-96.4	-10.2	176.9	-63.5	170.4	-172.1	154.9	0	112.6	P334 K335 L336	P334-K338 WeakPolarHBondContact O-CD 3.41Å; P334-K338 WeakPolarHBondContact O-CE 3.25Å; P334-K338 PolarHBondContact O-NZ 3.4Å; K335-K338 PolarHBondContact O-N 3.01Å; K335-K338 VanDerWaalsContact O-N 3.13Å; L336-K338 PolarHBondContact O-N 3.44Å; L336-K338 VanDerWaalsContact O-N 3.15Å
339	D	97.9	Very high	96.9	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.112	24%	0.241	C	C	.	.	S	Bend	trans	-73.7	130.8	178.5	-168.7	-64.3	0	0	0	110.2	K335 L336 R341 F342	K335-D339 PolarHBondContact O-N 2.91Å; L336-D339 HydrophobicContact CD1-CB 4.44Å; L336-D339 WeakPolarHBondContact O-CB 3.48Å; L336-D339 PolarHBondContact O-N 3.32Å; D339-R341 PolarHBondContact O-N 3Å; D339-R341 WeakPolarHBondContact OD1-CB 3.37Å; D339-R341 WeakPolarHBondContact OD1-CG 3.48Å; D339-R341 IonicContact OD1-CZ 3.78Å; D339-R341 PolarHBondContact OD1-N 2.97Å; D339-R341 IonicContact OD1-NE 2.85Å; D339-R341 PolarHBondContact OD1-NE 3.41Å; D339-R341 IonicContact OD1-NH2 3.71Å; D339-R341 IonicContact OD2-CZ 3.76Å; D339-R341 IonicContact OD2-NE 2.85Å; D339-R341 PolarHBondContact OD2-NE 3.16Å; D339-R341 IonicContact OD2-NH2 2.74Å; D339-R341 PolarHBondContact OD2-NH2 2.81Å; D339-F342 VanDerWaalsContact O-CB 3.31Å; D339-F342 WeakPolarHBondContact O-CB 3.04Å; D339-F342 PolarHBondContact O-N 2.86Å
340	P	97.5	Very high	96.7	Very high	126 Å²	126	50 Å²	50	82%	0.818	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.6	-178.3	25.9	-35.9	0	0	0	113.5	F342	P340-F342 VanDerWaalsContact C-N 3.32Å
341	R	97.9	Very high	96.6	Very high	70 Å²	70	48 Å²	48	26%	0.264	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.6	179.3	-59.8	169	-73.9	-165.6	-5.5	113	D339 S343 K344 I345 D406 I407 V409	D339-R341 PolarHBondContact O-N 3Å; D339-R341 WeakPolarHBondContact OD1-CB 3.37Å; D339-R341 WeakPolarHBondContact OD1-CG 3.48Å; D339-R341 IonicContact OD1-CZ 3.78Å; D339-R341 PolarHBondContact OD1-N 2.97Å; D339-R341 IonicContact OD1-NE 2.85Å; D339-R341 PolarHBondContact OD1-NE 3.41Å; D339-R341 IonicContact OD1-NH2 3.71Å; D339-R341 IonicContact OD2-CZ 3.76Å; D339-R341 IonicContact OD2-NE 2.85Å; D339-R341 PolarHBondContact OD2-NE 3.16Å; D339-R341 IonicContact OD2-NH2 2.74Å; D339-R341 PolarHBondContact OD2-NH2 2.81Å; R341-S343 PolarHBondContact O-N 3.33Å; R341-K344 PolarHBondContact O-N 2.97Å; R341-I345 HydrophobicContact CB-CD1 4.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.36Å; R341-I345 PolarHBondContact O-N 2.85Å; R341-D406 IonicContact CZ-OD1 3.45Å; R341-D406 IonicContact NH1-OD1 3.39Å; R341-D406 PolarHBondContact NH1-OD1 2.96Å; R341-D406 IonicContact NH1-OD2 2.77Å; R341-D406 IonicContact NH2-OD1 3.91Å; R341-D406 PolarHBondContact NH2-OD1 3.32Å; R341-D406 VanDerWaalsContact NH2-OD1 3.09Å; R341-I407 VanDerWaalsContact CZ-CG1 3.48Å; R341-I407 PolarHBondContact NH1-O 3.5Å; R341-I407 VanDerWaalsContact NH2-CG1 3.3Å; R341-V409 HydrophobicContact CB-CG2 3.99Å; R341-V409 HydrophobicContact CG-CG2 4.21Å
342	F	97.1	Very high	96.3	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-46.9	-171.4	-178.4	-144.5	0	0	0	113.5	I333 L336 D339 P340 K344 I345 L346 K353 I370 L394	I333-F342 HydrophobicContact CD1-CE1 4.38Å; I333-F342 HydrophobicContact CD1-CE2 3.85Å; I333-F342 HydrophobicContact CD1-CZ 3.54Å; L336-F342 HydrophobicContact CD1-CD2 4.35Å; L336-F342 HydrophobicContact CD2-CD2 4.22Å; L336-F342 HydrophobicContact CD2-CE2 4.28Å; L336-F342 HydrophobicContact CG-CD2 3.86Å; L336-F342 HydrophobicContact CG-CE2 4.26Å; L336-F342 HydrophobicContact CG-CG 4.46Å; L336-F342 WeakPolarHBondContact O-CB 3.46Å; D339-F342 VanDerWaalsContact O-CB 3.31Å; D339-F342 WeakPolarHBondContact O-CB 3.04Å; D339-F342 PolarHBondContact O-N 2.86Å; P340-F342 VanDerWaalsContact C-N 3.32Å; F342-K344 VanDerWaalsContact C-N 3.28Å; F342-K344 PolarHBondContact O-N 3.37Å; F342-I345 PolarHBondContact O-N 2.99Å; F342-L346 HydrophobicContact CD2-CD1 4.15Å; F342-L346 HydrophobicContact CD2-CG 4.01Å; F342-L346 HydrophobicContact CE1-CD1 4.13Å; F342-L346 HydrophobicContact CE2-CD1 3.69Å; F342-L346 HydrophobicContact CE2-CD2 3.83Å; F342-L346 HydrophobicContact CE2-CG 3.68Å; F342-L346 HydrophobicContact CZ-CD1 3.68Å; F342-L346 HydrophobicContact CZ-CD2 4.35Å; F342-L346 HydrophobicContact CZ-CG 4.19Å; F342-L346 WeakPolarHBondContact O-CG 3.13Å; F342-L346 PolarHBondContact O-N 2.92Å; F342-K353 HydrophobicContact CD1-CD 4.31Å; F342-K353 HydrophobicContact CE1-CD 3.63Å; F342-K353 HydrophobicContact CZ-CD 4.2Å; F342-I370 HydrophobicContact CZ-CD1 4.32Å; F342-L394 HydrophobicContact CE2-CD2 4.28Å
343	S	95	Very high	96	Very high	80 Å²	80	48.7 Å²	48.7	56%	0.559	24%	0.243	S	C	*	.	H	α-helix	trans	-58.7	-40.4	177.9	-63.4	0	0	0	0	112.2	R341 L346 E347	R341-S343 PolarHBondContact O-N 3.33Å; S343-L346 PolarHBondContact O-N 3.4Å; S343-E347 WeakPolarHBondContact O-CB 3.47Å; S343-E347 PolarHBondContact O-N 3.41Å
344	K	96.7	Very high	95.6	Very high	91 Å²	91	51 Å²	51	40%	0.396	25%	0.252	S	S	.	.	H	α-helix	trans	-73.7	-34.3	-179.6	-167.3	61.1	-178.8	177.4	0	112.4	R341 F342 E347 N348 V409	R341-K344 PolarHBondContact O-N 2.97Å; F342-K344 VanDerWaalsContact C-N 3.28Å; F342-K344 PolarHBondContact O-N 3.37Å; K344-E347 WeakPolarHBondContact CD-OE2 3.37Å; K344-E347 IonicContact NZ-OE1 2.71Å; K344-E347 PolarHBondContact NZ-OE1 3.12Å; K344-E347 IonicContact NZ-OE2 3.46Å; K344-E347 PolarHBondContact NZ-OE2 3.16Å; K344-E347 PolarHBondContact O-N 3.4Å; K344-N348 WeakPolarHBondContact CE-OD1 3.5Å; K344-N348 WeakPolarHBondContact O-CB 3.48Å; K344-N348 PolarHBondContact O-N 3.13Å; K344-V409 HydrophobicContact CB-CG1 4.39Å; K344-V409 HydrophobicContact CG-CG1 3.86Å
345	I	98.2	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-49.5	172.4	-67.9	166.7	0	0	0	110	L336 R341 F342 E347 N348 L349 Y393 L394 I407 V409 P410	L336-I345 HydrophobicContact CD1-CD1 4.04Å; R341-I345 HydrophobicContact CB-CD1 4.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.36Å; R341-I345 PolarHBondContact O-N 2.85Å; F342-I345 PolarHBondContact O-N 2.99Å; I345-E347 PolarHBondContact O-N 3.34Å; I345-N348 PolarHBondContact O-N 3.34Å; I345-L349 HydrophobicContact CG2-CD1 3.68Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 WeakPolarHBondContact O-CB 3.28Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.5Å; I345-L349 PolarHBondContact O-N 2.96Å; I345-Y393 HydrophobicContact CG2-CD1 4.19Å; I345-Y393 HydrophobicContact CG2-CE1 4.08Å; I345-L394 HydrophobicContact CG2-CD2 3.7Å; I345-I407 HydrophobicContact CD1-CD1 3.92Å; I345-V409 HydrophobicContact CG1-CG1 4.47Å; I345-V409 HydrophobicContact CG1-CG2 4.23Å; I345-P410 HydrophobicContact CG2-CG 4.42Å
346	L	96.3	Very high	93.8	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-44.4	178	-68.6	176.7	0	0	0	112.4	F342 S343 N348 L349 R350 L351 K353 I370 L394	F342-L346 HydrophobicContact CD2-CD1 4.15Å; F342-L346 HydrophobicContact CD2-CG 4.01Å; F342-L346 HydrophobicContact CE1-CD1 4.13Å; F342-L346 HydrophobicContact CE2-CD1 3.69Å; F342-L346 HydrophobicContact CE2-CD2 3.83Å; F342-L346 HydrophobicContact CE2-CG 3.68Å; F342-L346 HydrophobicContact CZ-CD1 3.68Å; F342-L346 HydrophobicContact CZ-CD2 4.35Å; F342-L346 HydrophobicContact CZ-CG 4.19Å; F342-L346 WeakPolarHBondContact O-CG 3.13Å; F342-L346 PolarHBondContact O-N 2.92Å; S343-L346 PolarHBondContact O-N 3.4Å; L346-N348 PolarHBondContact O-N 2.94Å; L346-L349 CarbonylContact O-C 3.57Å; L346-L349 PolarHBondContact O-N 3.42Å; L346-R350 PolarHBondContact O-N 2.94Å; L346-L351 HydrophobicContact CD2-CB 3.85Å; L346-L351 HydrophobicContact CD2-CD1 4.36Å; L346-L351 PolarHBondContact O-N 3.25Å; L346-K353 HydrophobicContact CD1-CB 3.87Å; L346-K353 HydrophobicContact CD1-CD 3.77Å; L346-K353 HydrophobicContact CD1-CG 3.93Å; L346-I370 HydrophobicContact CD2-CD1 4.2Å; L346-I370 HydrophobicContact CD2-CG2 4.46Å; L346-L394 HydrophobicContact CD2-CD1 3.99Å; L346-L394 HydrophobicContact CD2-CD2 4.26Å
347	E	93.9	Very high	92.6	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-49	177.8	-172	-164.2	149.4	0	0	111.6	S343 K344 I345 L349 R350	S343-E347 WeakPolarHBondContact O-CB 3.47Å; S343-E347 PolarHBondContact O-N 3.41Å; K344-E347 WeakPolarHBondContact CD-OE2 3.37Å; K344-E347 IonicContact NZ-OE1 2.71Å; K344-E347 PolarHBondContact NZ-OE1 3.12Å; K344-E347 IonicContact NZ-OE2 3.46Å; K344-E347 PolarHBondContact NZ-OE2 3.16Å; K344-E347 PolarHBondContact O-N 3.4Å; I345-E347 PolarHBondContact O-N 3.34Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.79Å; E347-R350 PolarHBondContact O-N 3Å; E347-R350 VanDerWaalsContact O-N 3.17Å
348	N	96	Very high	91.3	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-32.9	-178.2	-74.4	8.3	0	0	0	112.3	K344 I345 L346 R350 V409 P410 P412 L413	K344-N348 WeakPolarHBondContact CE-OD1 3.5Å; K344-N348 WeakPolarHBondContact O-CB 3.48Å; K344-N348 PolarHBondContact O-N 3.13Å; I345-N348 PolarHBondContact O-N 3.34Å; L346-N348 PolarHBondContact O-N 2.94Å; N348-R350 VanDerWaalsContact C-N 3.28Å; N348-V409 WeakPolarHBondContact ND2-CG1 3.44Å; N348-P410 HydrophobicContact CB-CG 4.39Å; N348-P410 WeakPolarHBondContact CB-O 3.37Å; N348-P410 PolarHBondContact ND2-O 3.33Å; N348-P412 HydrophobicContact CB-CB 4.37Å; N348-L413 PolarHBondContact O-N 3.31Å
349	L	96.4	Very high	89.9	Confident	15 Å²	15	43 Å²	43	8%	0.079	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.4	175.1	-65.9	175.5	0	0	0	113.8	I345 L346 E347 L351 Y393 L394 P410	I345-L349 HydrophobicContact CG2-CD1 3.68Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 WeakPolarHBondContact O-CB 3.28Å; I345-L349 VanDerWaalsContact O-CG 3.27Å; I345-L349 WeakPolarHBondContact O-CG 3.5Å; I345-L349 PolarHBondContact O-N 2.96Å; L346-L349 CarbonylContact O-C 3.57Å; L346-L349 PolarHBondContact O-N 3.42Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.79Å; L349-L351 VanDerWaalsContact C-N 3.27Å; L349-L351 HydrophobicContact CB-CD1 4.08Å; L349-L351 HydrophobicContact CB-CG 4.04Å; L349-L351 HydrophobicContact CD1-CD1 4.4Å; L349-L351 PolarHBondContact O-N 3.44Å; L349-Y393 HydrophobicContact CD1-CD1 3.84Å; L349-Y393 HydrophobicContact CD1-CG 4.31Å; L349-L394 HydrophobicContact CD1-CD2 4.23Å; L349-P410 HydrophobicContact CD1-CG 4.34Å; L349-P410 HydrophobicContact CD2-CB 4.25Å; L349-P410 HydrophobicContact CD2-CG 3.78Å; L349-P410 HydrophobicContact CG-CG 3.82Å
350	R	93.8	Very high	88.2	Confident	32 Å²	32	46 Å²	46	12%	0.121	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	37.5	-177.3	-51.3	-59.7	-57.7	155.1	-3.1	113.2	N132 L346 E347 N348 I373 D374 I386 L413	N132-R350 PolarHBondContact ND2-NH1 3.44Å; N132-R350 PolarHBondContact ND2-NH2 3.24Å; L346-R350 PolarHBondContact O-N 2.94Å; E347-R350 PolarHBondContact O-N 3Å; E347-R350 VanDerWaalsContact O-N 3.17Å; N348-R350 VanDerWaalsContact C-N 3.28Å; R350-I373 HydrophobicContact CB-CG2 4.25Å; R350-I373 WeakPolarHBondContact O-CG2 3.46Å; R350-I373 PolarHBondContact O-N 3.4Å; R350-D374 IonicContact CZ-OD1 2.95Å; R350-D374 IonicContact CZ-OD2 3.93Å; R350-D374 IonicContact NE-OD1 3.82Å; R350-D374 IonicContact NE-OD2 2.63Å; R350-D374 PolarHBondContact NE-OD2 2.67Å; R350-D374 VanDerWaalsContact NH2-CG 3.3Å; R350-D374 IonicContact NH2-OD1 3.17Å; R350-D374 PolarHBondContact NH2-OD1 2.89Å; R350-D374 IonicContact NH2-OD2 3.8Å; R350-D374 PolarHBondContact NH2-OD2 3.02Å; R350-D374 VanDerWaalsContact NH2-OD2 3.15Å; R350-I386 HydrophobicContact CB-CG2 4.42Å; R350-L413 HydrophobicContact CG-CB 3.98Å; R350-L413 HydrophobicContact CG-CD1 4.12Å
351	L	95.1	Very high	86.8	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.1	177.5	-60.5	178.4	0	0	0	111.4	L346 L349 I370 S371 I386 V387 L394	L346-L351 HydrophobicContact CD2-CB 3.85Å; L346-L351 HydrophobicContact CD2-CD1 4.36Å; L346-L351 PolarHBondContact O-N 3.25Å; L349-L351 VanDerWaalsContact C-N 3.27Å; L349-L351 HydrophobicContact CB-CD1 4.08Å; L349-L351 HydrophobicContact CB-CG 4.04Å; L349-L351 HydrophobicContact CD1-CD1 4.4Å; L349-L351 PolarHBondContact O-N 3.44Å; L351-I370 HydrophobicContact CB-CG2 4.17Å; L351-I370 HydrophobicContact CD1-CG2 3.79Å; L351-I370 HydrophobicContact CG-CG2 4.39Å; L351-S371 CarbonylContact C-O 3.45Å; L351-S371 VanDerWaalsContact CA-O 3.27Å; L351-S371 WeakPolarHBondContact CA-O 3.47Å; L351-I386 HydrophobicContact CD2-CG2 4.48Å; L351-V387 HydrophobicContact CD2-CG2 4.22Å; L351-L394 HydrophobicContact CD1-CD1 4.05Å
352	Q	91.8	Very high	85.6	Confident	30 Å²	30	42.7 Å²	42.7	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.8	171.3	177	176.2	69.3	0	0	109.8	I370 S371 I373	Q352-I370 WeakPolarHBondContact O-CA 3.36Å; Q352-S371 PolarHBondContact N-O 3.4Å; Q352-S371 PolarHBondContact O-N 3.4Å; Q352-S371 VanDerWaalsContact O-N 3.11Å; Q352-I373 HydrophobicContact CB-CB 4.25Å; Q352-I373 HydrophobicContact CB-CG1 4.28Å
353	K	90.9	Very high	84.5	Confident	94 Å²	94	44.1 Å²	44.1	41%	0.409	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.3	170	69.4	-177.1	179.4	79.5	0	112.4	F342 L346 Y368 D369 I370	F342-K353 HydrophobicContact CD1-CD 4.31Å; F342-K353 HydrophobicContact CE1-CD 3.63Å; F342-K353 HydrophobicContact CZ-CD 4.2Å; L346-K353 HydrophobicContact CD1-CB 3.87Å; L346-K353 HydrophobicContact CD1-CD 3.77Å; L346-K353 HydrophobicContact CD1-CG 3.93Å; K353-Y368 HydrophobicContact CB-CD1 4.3Å; K353-Y368 HydrophobicContact CD-CD1 4.38Å; K353-Y368 HydrophobicContact CD-CE1 4.35Å; K353-D369 CarbonylContact C-O 3.6Å; K353-D369 WeakPolarHBondContact CA-O 3.46Å; K353-I370 HydrophobicContact CB-CD1 3.61Å
354	R	87.4	Confident	83.9	Confident	49 Å²	49	45 Å²	45	19%	0.185	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	169.7	167.2	-62.4	-173.5	-178.9	-174	-7.3	109.8	D369	R354-D369 HydrophobicContact CB-CB 4.16Å; R354-D369 PolarHBondContact N-O 3.41Å; R354-D369 PolarHBondContact O-N 3.28Å; R354-D369 VanDerWaalsContact O-N 3.17Å
355	G	80.6	Confident	83.3	Confident	6 Å²	6	44.4 Å²	44.4	6%	0.062	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-70.2	172.5	170.7	0	0	0	0	0	112.7	G357 G358 T361 A362	G355-G357 VanDerWaalsContact C-N 3.29Å; G355-G357 PolarHBondContact O-N 3.15Å; G355-G358 PolarHBondContact N-O 3.14Å; G355-G358 PolarHBondContact O-N 3.15Å; G355-G358 VanDerWaalsContact O-N 3.09Å; G355-T361 WeakPolarHBondContact CA-O 3.42Å; G355-T361 PolarHBondContact N-O 3.42Å; G355-A362 VanDerWaalsContact CA-C 3.41Å; G355-A362 VanDerWaalsContact CA-O 3.32Å; G355-A362 WeakPolarHBondContact CA-O 3.44Å
356	T	78.1	Confident	82.8	Confident	35 Å²	35	47 Å²	47	22%	0.215	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-29.4	-170.3	-42.1	0	0	0	0	113	H330 A362 V364 V367	H330-T356 PolarHBondContact CE1-O 2.64Å; H330-T356 VanDerWaalsContact CE1-O 3.28Å; H330-T356 PolarHBondContact NE2-O 3.5Å; T356-A362 PolarHBondContact N-O 3.25Å; T356-V364 PolarHBondContact OG1-N 3.47Å; T356-V367 HydrophobicContact CG2-CB 4.25Å; T356-V367 HydrophobicContact CG2-CG1 4.01Å; T356-V367 PolarHBondContact OG1-O 2.85Å
357	G	71.6	Confident	82.6	Confident	60 Å²	60	47.2 Å²	47.2	62%	0.619	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7.6	175.8	0	0	0	0	0	114.1	G355 T361	G355-G357 VanDerWaalsContact C-N 3.29Å; G355-G357 PolarHBondContact O-N 3.15Å; G357-T361 VanDerWaalsContact C-OG1 3.26Å; G357-T361 VanDerWaalsContact CA-OG1 3.27Å; G357-T361 WeakPolarHBondContact CA-OG1 3.27Å; G357-T361 PolarHBondContact N-OG1 2.8Å
358	G	69.1	Low	82.6	Confident	15 Å²	15	44.1 Å²	44.1	16%	0.155	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	107.7	-156.3	-179.3	0	0	0	0	0	114.3	G355 D360 T361	G355-G358 PolarHBondContact N-O 3.14Å; G355-G358 PolarHBondContact O-N 3.15Å; G355-G358 VanDerWaalsContact O-N 3.09Å; G358-D360 VanDerWaalsContact C-N 3.32Å; G358-D360 PolarHBondContact O-N 2.81Å; G358-T361 PolarHBondContact N-OG1 2.79Å; G358-T361 VanDerWaalsContact N-OG1 3.11Å; G358-T361 PolarHBondContact O-N 2.94Å; G358-T361 PolarHBondContact O-OG1 3.39Å
359	V	66.3	Low	82.5	Confident	42 Å²	42	44.3 Å²	44.3	26%	0.255	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.6	-162.7	64.5	0	0	0	0	115.2	I103	I103-V359 HydrophobicContact CD1-CG2 3.78Å
360	D	63.3	Low	82.5	Confident	82 Å²	82	43.6 Å²	43.6	44%	0.439	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.1	-175.6	-59.2	-31.8	0	0	0	112.4	H100 G358	H100-D360 IonicContact CE1-OD1 3.93Å; H100-D360 PolarHBondContact CE1-OD1 3.08Å; H100-D360 IonicContact NE2-OD1 3.78Å; H100-D360 PolarHBondContact NE2-OD1 3.27Å; H100-D360 VanDerWaalsContact NE2-OD1 3.12Å; G358-D360 VanDerWaalsContact C-N 3.32Å; G358-D360 PolarHBondContact O-N 2.81Å
361	T	66.4	Low	82.7	Confident	55 Å²	55	42 Å²	42	34%	0.337	27%	0.267	S	S	.	.	S	Bend	trans	-117.4	155.2	-176.7	69.8	0	0	0	0	111.8	G355 G357 G358	G355-T361 WeakPolarHBondContact CA-O 3.42Å; G355-T361 PolarHBondContact N-O 3.42Å; G357-T361 VanDerWaalsContact C-OG1 3.26Å; G357-T361 VanDerWaalsContact CA-OG1 3.27Å; G357-T361 WeakPolarHBondContact CA-OG1 3.27Å; G357-T361 PolarHBondContact N-OG1 2.8Å; G358-T361 PolarHBondContact N-OG1 2.79Å; G358-T361 VanDerWaalsContact N-OG1 3.11Å; G358-T361 PolarHBondContact O-N 2.94Å; G358-T361 PolarHBondContact O-OG1 3.39Å
362	A	73.2	Confident	82.7	Confident	73 Å²	73	41.9 Å²	41.9	60%	0.603	27%	0.266	S	S	*	.			trans	-81.1	163.7	169.5	0	0	0	0	0	111.3	G355 T356	G355-A362 VanDerWaalsContact CA-C 3.41Å; G355-A362 VanDerWaalsContact CA-O 3.32Å; G355-A362 WeakPolarHBondContact CA-O 3.44Å; T356-A362 PolarHBondContact N-O 3.25Å
363	A	74.6	Confident	82.7	Confident	36 Å²	36	42.4 Å²	42.4	30%	0.298	27%	0.27	S	S	.	.			trans	-70.3	132.7	168.8	0	0	0	0	0	109.6	Y368	A363-Y368 HydrophobicContact CB-CD1 3.97Å; A363-Y368 HydrophobicContact CB-CD2 4.35Å; A363-Y368 HydrophobicContact CB-CE1 3.68Å; A363-Y368 HydrophobicContact CB-CE2 4.06Å; A363-Y368 HydrophobicContact CB-CG 4.3Å
364	V	82.1	Confident	82.7	Confident	99 Å²	99	38.5 Å²	38.5	60%	0.6	25%	0.253	S	S	*	.	B	Isolated β-bridge	trans	-108.3	130.3	176.2	-177.9	0	0	0	0	108.1	T356 D366 V367	T356-V364 PolarHBondContact OG1-N 3.47Å; V364-D366 VanDerWaalsContact C-N 3.3Å; V364-D366 PolarHBondContact O-N 2.95Å; V364-V367 WeakPolarHBondContact O-CB 3.42Å; V364-V367 PolarHBondContact O-N 3.36Å; V364-V367 VanDerWaalsContact O-N 3.11Å
365	A	83.5	Confident	83	Confident	79 Å²	79	37 Å²	37	65%	0.653	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.8	178	0	0	0	0	0	114.3	V367	A365-V367 PolarHBondContact O-N 3.3Å; A365-V367 VanDerWaalsContact O-N 3.11Å
366	D	88.7	Confident	83.8	Confident	54 Å²	54	36.9 Å²	36.9	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	20.5	-179.9	-58.2	-50.8	0	0	0	114.7	I333 P334 V364 Y368	I333-D366 PolarHBondContact N-O 3.01Å; P334-D366 HydrophobicContact CB-CB 3.85Å; P334-D366 WeakPolarHBondContact CB-OD2 3.42Å; V364-D366 VanDerWaalsContact C-N 3.3Å; V364-D366 PolarHBondContact O-N 2.95Å; D366-Y368 WeakPolarHBondContact O-CD2 3.47Å
367	V	92.3	Very high	84.6	Confident	13 Å²	13	36 Å²	36	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.9	174.8	-177.6	0	0	0	0	110.1	L161 H330 V331 R332 T356 V364 A365	L161-V367 HydrophobicContact CD1-CG1 3.92Å; L161-V367 HydrophobicContact CD1-CG2 3.75Å; H330-V367 HydrophobicContact CB-CG1 3.86Å; V331-V367 WeakPolarHBondContact O-CA 3.27Å; R332-V367 HydrophobicContact CB-CG2 4.45Å; T356-V367 HydrophobicContact CG2-CB 4.25Å; T356-V367 HydrophobicContact CG2-CG1 4.01Å; T356-V367 PolarHBondContact OG1-O 2.85Å; V364-V367 WeakPolarHBondContact O-CB 3.42Å; V364-V367 PolarHBondContact O-N 3.36Å; V364-V367 VanDerWaalsContact O-N 3.11Å; A365-V367 PolarHBondContact O-N 3.3Å; A365-V367 VanDerWaalsContact O-N 3.11Å
368	Y	93	Very high	85.7	Confident	38 Å²	38	34.1 Å²	34.1	15%	0.149	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.6	-179.9	-71.2	-95.5	0	0	0	111.4	H330 V331 I333 K353 A363 D366 I370	H330-Y368 WeakPolarHBondContact CA-O 3.39Å; V331-Y368 PolarHBondContact N-O 3.4Å; V331-Y368 PolarHBondContact O-N 2.91Å; I333-Y368 HydrophobicContact CD1-CD2 4.23Å; I333-Y368 HydrophobicContact CG1-CD2 3.86Å; I333-Y368 HydrophobicContact CG1-CE2 4.48Å; K353-Y368 HydrophobicContact CB-CD1 4.3Å; K353-Y368 HydrophobicContact CD-CD1 4.38Å; K353-Y368 HydrophobicContact CD-CE1 4.35Å; A363-Y368 HydrophobicContact CB-CD1 3.97Å; A363-Y368 HydrophobicContact CB-CD2 4.35Å; A363-Y368 HydrophobicContact CB-CE1 3.68Å; A363-Y368 HydrophobicContact CB-CE2 4.06Å; A363-Y368 HydrophobicContact CB-CG 4.3Å; D366-Y368 WeakPolarHBondContact O-CD2 3.47Å; Y368-I370 PolarHBondContact O-N 3.35Å
369	D	94.1	Very high	87	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107.2	162.3	172.5	-2.4	0	0	0	108.3	R326 V329 K353 R354	R326-D369 IonicContact CZ-OD1 2.83Å; R326-D369 IonicContact CZ-OD2 3.78Å; R326-D369 IonicContact NE-OD2 3.37Å; R326-D369 IonicContact NH2-OD1 2.81Å; R326-D369 PolarHBondContact NH2-OD1 3.48Å; R326-D369 IonicContact NH2-OD2 2.71Å; R326-D369 PolarHBondContact NH2-OD2 3.33Å; V329-D369 WeakPolarHBondContact O-CA 3.22Å; K353-D369 CarbonylContact C-O 3.6Å; K353-D369 WeakPolarHBondContact CA-O 3.46Å; R354-D369 HydrophobicContact CB-CB 4.16Å; R354-D369 PolarHBondContact N-O 3.41Å; R354-D369 PolarHBondContact O-N 3.28Å; R354-D369 VanDerWaalsContact O-N 3.17Å
370	I	96.9	Very high	88.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.2	177.3	-58	-58.5	0	0	0	109.3	G328 V329 V331 F342 L346 L351 Q352 K353 Y368 V391 L394	G328-I370 CarbonylContact C-O 3.51Å; G328-I370 WeakPolarHBondContact CA-O 3.24Å; V329-I370 HydrophobicContact CG2-CB 4.31Å; V329-I370 PolarHBondContact N-O 3.02Å; V329-I370 PolarHBondContact O-N 3.34Å; V331-I370 HydrophobicContact CG1-CB 4.31Å; V331-I370 HydrophobicContact CG1-CG1 3.57Å; F342-I370 HydrophobicContact CZ-CD1 4.32Å; L346-I370 HydrophobicContact CD2-CD1 4.2Å; L346-I370 HydrophobicContact CD2-CG2 4.46Å; L351-I370 HydrophobicContact CB-CG2 4.17Å; L351-I370 HydrophobicContact CD1-CG2 3.79Å; L351-I370 HydrophobicContact CG-CG2 4.39Å; Q352-I370 WeakPolarHBondContact O-CA 3.36Å; K353-I370 HydrophobicContact CB-CD1 3.61Å; Y368-I370 PolarHBondContact O-N 3.35Å; I370-V391 HydrophobicContact CG2-CG2 4.38Å; I370-L394 HydrophobicContact CG1-CD1 4.32Å; I370-L394 HydrophobicContact CG2-CD1 3.85Å
371	S	97.1	Very high	90.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	166.5	-176.2	56.2	0	0	0	0	112.7	R326 A327 L351 Q352	R326-S371 PolarHBondContact NE-OG 3.41Å; R326-S371 PolarHBondContact NH1-OG 2.62Å; R326-S371 PolarHBondContact NH2-OG 2.9Å; A327-S371 WeakPolarHBondContact O-CA 3.33Å; A327-S371 WeakPolarHBondContact O-CB 3.49Å; L351-S371 CarbonylContact C-O 3.45Å; L351-S371 VanDerWaalsContact CA-O 3.27Å; L351-S371 WeakPolarHBondContact CA-O 3.47Å; Q352-S371 PolarHBondContact N-O 3.4Å; Q352-S371 PolarHBondContact O-N 3.4Å; Q352-S371 VanDerWaalsContact O-N 3.11Å
372	N	96	Very high	91.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	139	171.9	60.3	-68.6	0	0	0	111.9	L325 R326 A327 D374 L383 V387	L325-N372 PolarHBondContact O-ND2 2.92Å; R326-N372 WeakPolarHBondContact CA-OD1 3.32Å; A327-N372 PolarHBondContact N-OD1 3.29Å; A327-N372 PolarHBondContact O-N 3.12Å; A327-N372 PolarHBondContact O-OD1 2.89Å; A327-N372 VanDerWaalsContact O-OD1 3.1Å; N372-D374 PolarHBondContact ND2-O 3.03Å; N372-L383 HydrophobicContact CB-CD2 4.42Å; N372-V387 HydrophobicContact CB-CG2 3.75Å
373	I	90.7	Very high	92.9	Very high	42 Å²	42	25 Å²	25	22%	0.215	15%	0.151	C	C	.	.	S	Bend	trans	-86.6	-34.6	175.1	-163.8	172	0	0	0	112.9	R350 Q352	R350-I373 HydrophobicContact CB-CG2 4.25Å; R350-I373 WeakPolarHBondContact O-CG2 3.46Å; R350-I373 PolarHBondContact O-N 3.4Å; Q352-I373 HydrophobicContact CB-CB 4.25Å; Q352-I373 HydrophobicContact CB-CG1 4.28Å
374	D	90.6	Very high	94.1	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.059	14%	0.136	C	C	.	.			trans	-84.4	144	-176.6	-63.4	-40.9	0	0	0	110.9	R350 N372 L383	R350-D374 IonicContact CZ-OD1 2.95Å; R350-D374 IonicContact CZ-OD2 3.93Å; R350-D374 IonicContact NE-OD1 3.82Å; R350-D374 IonicContact NE-OD2 2.63Å; R350-D374 PolarHBondContact NE-OD2 2.67Å; R350-D374 VanDerWaalsContact NH2-CG 3.3Å; R350-D374 IonicContact NH2-OD1 3.17Å; R350-D374 PolarHBondContact NH2-OD1 2.89Å; R350-D374 IonicContact NH2-OD2 3.8Å; R350-D374 PolarHBondContact NH2-OD2 3.02Å; R350-D374 VanDerWaalsContact NH2-OD2 3.15Å; N372-D374 PolarHBondContact ND2-O 3.03Å; D374-L383 HydrophobicContact CB-CD2 4.12Å; D374-L383 VanDerWaalsContact O-CD2 3.29Å; D374-L383 WeakPolarHBondContact O-CD2 3.32Å
375	R	95.3	Very high	94.9	Very high	17 Å²	17	21.3 Å²	21.3	6%	0.064	12%	0.12	C	C	.	.			trans	-133.4	-16.6	179.6	-52.6	-155.8	-170.8	-178.3	19.6	114.9	S319 N320 L321 T323 G324 L325	S319-R375 WeakPolarHBondContact O-CD 3.46Å; N320-R375 PolarHBondContact OD1-NH1 3.25Å; N320-R375 PolarHBondContact OD1-NH2 2.84Å; L321-R375 CarbonylContact O-C 3.58Å; T323-R375 WeakPolarHBondContact CB-O 3.36Å; T323-R375 WeakPolarHBondContact CG2-O 3.16Å; T323-R375 PolarHBondContact N-O 3.37Å; T323-R375 PolarHBondContact OG1-O 3.1Å; G324-R375 PolarHBondContact O-NH1 3Å; L325-R375 WeakPolarHBondContact O-CD 3.26Å
376	I	96.5	Very high	95.5	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.026	9%	0.094	C	C	.	.	S	Bend	trans	-127.9	155.5	177.1	-164	167.4	0	0	0	109.6	H131 Y134 H141 L311 L321 R378	H131-I376 HydrophobicContact CB-CG2 3.45Å; H131-I376 VanDerWaalsContact CB-CG2 3.45Å; Y134-I376 HydrophobicContact CD1-CB 4.47Å; Y134-I376 HydrophobicContact CD1-CD1 3.73Å; Y134-I376 HydrophobicContact CD1-CG1 3.9Å; Y134-I376 HydrophobicContact CD1-CG2 3.74Å; Y134-I376 HydrophobicContact CD2-CG1 4.29Å; Y134-I376 HydrophobicContact CD2-CG2 4.35Å; Y134-I376 HydrophobicContact CE1-CD1 3.27Å; Y134-I376 HydrophobicContact CE1-CG1 3.64Å; Y134-I376 HydrophobicContact CE1-CG2 4.36Å; Y134-I376 HydrophobicContact CE2-CG1 4.03Å; Y134-I376 HydrophobicContact CG-CG1 4.22Å; Y134-I376 HydrophobicContact CG-CG2 3.73Å; H141-I376 HydrophobicContact CB-CG1 4.18Å; L311-I376 WeakPolarHBondContact O-CD1 3.17Å; L321-I376 HydrophobicContact CB-CD1 4.11Å; I376-R378 PolarHBondContact O-N 2.86Å
377	G	94.2	Very high	96	Very high	16 Å²	16	15.8 Å²	15.8	17%	0.165	8%	0.08	C	C	.	.	S	Bend	trans	78.9	-0.2	-174.6	0	0	0	0	0	115.4	G417	G377-G417 PolarHBondContact O-N 2.78Å
378	R	95.2	Very high	96.3	Very high	21 Å²	21	15.4 Å²	15.4	8%	0.079	8%	0.077	C	C	.	.	S	Bend	trans	-138.5	143.8	169.6	-67.9	-177	171.9	-79.8	-1.5	109.3	H141 T323 I376 E382 L383 P414 Q415 F416	H141-R378 PolarHBondContact CE1-O 3.28Å; T323-R378 VanDerWaalsContact CG2-O 3.3Å; T323-R378 WeakPolarHBondContact CG2-O 3.37Å; I376-R378 PolarHBondContact O-N 2.86Å; R378-E382 VanDerWaalsContact CA-OE2 3.23Å; R378-E382 WeakPolarHBondContact CA-OE2 3.17Å; R378-E382 HydrophobicContact CB-CB 4.2Å; R378-E382 IonicContact NH1-OE1 2.88Å; R378-L383 HydrophobicContact CB-CD2 3.83Å; R378-L383 HydrophobicContact CB-CG 3.98Å; R378-P414 PolarHBondContact NH2-O 3.4Å; R378-Q415 PolarHBondContact NE-O 3.27Å; R378-F416 VanDerWaalsContact CZ-C 3.48Å; R378-F416 VanDerWaalsContact NH2-C 3.26Å; R378-F416 PolarHBondContact NH2-O 3.19Å
379	S	97.8	Very high	96.6	Very high	6 Å²	6	18 Å²	18	4%	0.042	9%	0.094	C	C	.	.			trans	-74.5	167.5	179	78.2	0	0	0	0	112.3	T142 D144 V381 E382 L383	T142-S379 WeakPolarHBondContact O-CA 3.5Å; T142-S379 WeakPolarHBondContact O-CB 3.37Å; D144-S379 VanDerWaalsContact CB-CB 3.44Å; D144-S379 WeakPolarHBondContact CB-OG 3.32Å; S379-V381 VanDerWaalsContact C-N 3.34Å; S379-V381 PolarHBondContact O-N 2.82Å; S379-E382 PolarHBondContact N-OE2 3.19Å; S379-E382 PolarHBondContact O-N 2.66Å; S379-E382 WeakPolarHBondContact OG-CG 3.47Å; S379-E382 PolarHBondContact OG-N 3.34Å; S379-L383 VanDerWaalsContact O-CG 3.31Å; S379-L383 WeakPolarHBondContact O-CG 3.38Å; S379-L383 PolarHBondContact O-N 3.07Å
380	E	98.6	Very high	96.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-58.5	-45.5	177.5	-67.2	83.9	170.7	0	0	111.9	T143 D144 L145 F284 T323 L325 E382 L383 V384	T143-E380 WeakPolarHBondContact CA-OE2 3.39Å; D144-E380 PolarHBondContact N-OE2 2.91Å; D144-E380 WeakPolarHBondContact O-CB 3.46Å; L145-E380 HydrophobicContact CD2-CB 3.94Å; L145-E380 HydrophobicContact CD2-CG 3.69Å; L145-E380 HydrophobicContact CG-CG 4.43Å; F284-E380 HydrophobicContact CE2-CB 4.28Å; F284-E380 HydrophobicContact CZ-CB 4.1Å; T323-E380 HydrophobicContact CG2-CG 3.8Å; L325-E380 HydrophobicContact CB-CG 4.44Å; L325-E380 HydrophobicContact CD1-CB 3.69Å; L325-E380 HydrophobicContact CD1-CG 3.67Å; E380-E382 PolarHBondContact O-N 2.88Å; E380-L383 PolarHBondContact O-N 3.03Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 3.46Å
381	V	98.5	Very high	96.9	Very high	14 Å²	14	17.2 Å²	17.2	9%	0.085	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-47.9	174.4	165.5	0	0	0	0	111.5	D144 D146 K149 I150 F284 S379 L383 V384 Q385	D144-V381 HydrophobicContact CB-CB 4.43Å; D144-V381 HydrophobicContact CB-CG2 4.38Å; D144-V381 VanDerWaalsContact O-CG2 3.3Å; D144-V381 WeakPolarHBondContact O-CG2 3.36Å; D144-V381 PolarHBondContact O-N 2.95Å; D146-V381 VanDerWaalsContact O-CG2 3.23Å; D146-V381 WeakPolarHBondContact O-CG2 3.28Å; K149-V381 HydrophobicContact CB-CG1 3.71Å; K149-V381 HydrophobicContact CB-CG2 4.32Å; K149-V381 HydrophobicContact CD-CG1 4.16Å; K149-V381 HydrophobicContact CD-CG2 4.33Å; I150-V381 HydrophobicContact CD1-CG1 4.06Å; F284-V381 HydrophobicContact CE1-CG2 3.92Å; F284-V381 HydrophobicContact CZ-CG2 4.16Å; S379-V381 VanDerWaalsContact C-N 3.34Å; S379-V381 PolarHBondContact O-N 2.82Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.37Å; V381-V384 PolarHBondContact O-N 3.44Å; V381-Q385 WeakPolarHBondContact O-CB 3.42Å; V381-Q385 PolarHBondContact O-N 3.46Å
382	E	97.8	Very high	96.9	Very high	53 Å²	53	20.1 Å²	20.1	25%	0.248	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-41.5	179.1	-71.5	-178.1	117.8	0	0	111.9	R378 S379 E380 Q385 I386 G417 K418	R378-E382 VanDerWaalsContact CA-OE2 3.23Å; R378-E382 WeakPolarHBondContact CA-OE2 3.17Å; R378-E382 HydrophobicContact CB-CB 4.2Å; R378-E382 IonicContact NH1-OE1 2.88Å; S379-E382 PolarHBondContact N-OE2 3.19Å; S379-E382 PolarHBondContact O-N 2.66Å; S379-E382 WeakPolarHBondContact OG-CG 3.47Å; S379-E382 PolarHBondContact OG-N 3.34Å; E380-E382 PolarHBondContact O-N 2.88Å; E382-Q385 PolarHBondContact O-N 3.39Å; E382-I386 VanDerWaalsContact O-CG1 3.32Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 3.2Å; E382-G417 WeakPolarHBondContact OE1-CA 3.4Å; E382-K418 PolarHBondContact OE1-N 2.73Å
383	L	97.9	Very high	97.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-41.9	179	-69.7	175.8	0	0	0	112.1	T323 L325 N372 D374 R378 S379 E380 V381 Q385 I386 V387	T323-L383 HydrophobicContact CG2-CD1 3.82Å; T323-L383 WeakPolarHBondContact OG1-CD1 3.46Å; L325-L383 HydrophobicContact CB-CD1 4.4Å; L325-L383 HydrophobicContact CD2-CB 4.03Å; L325-L383 HydrophobicContact CD2-CD1 4.41Å; N372-L383 HydrophobicContact CB-CD2 4.42Å; D374-L383 HydrophobicContact CB-CD2 4.12Å; D374-L383 VanDerWaalsContact O-CD2 3.29Å; D374-L383 WeakPolarHBondContact O-CD2 3.32Å; R378-L383 HydrophobicContact CB-CD2 3.83Å; R378-L383 HydrophobicContact CB-CG 3.98Å; S379-L383 VanDerWaalsContact O-CG 3.31Å; S379-L383 WeakPolarHBondContact O-CG 3.38Å; S379-L383 PolarHBondContact O-N 3.07Å; E380-L383 PolarHBondContact O-N 3.03Å; V381-L383 VanDerWaalsContact C-N 3.33Å; V381-L383 PolarHBondContact O-N 3.37Å; L383-Q385 VanDerWaalsContact C-N 3.34Å; L383-I386 PolarHBondContact O-N 3.36Å; L383-V387 WeakPolarHBondContact O-CG2 3.48Å; L383-V387 PolarHBondContact O-N 3.35Å; L383-V387 VanDerWaalsContact O-N 3.15Å
384	V	98.6	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-40.7	175	174.4	0	0	0	0	110.9	I150 M280 F284 L325 A327 E380 V381 I386 V387 I388	I150-V384 HydrophobicContact CD1-CB 4.35Å; I150-V384 HydrophobicContact CD1-CG1 4.19Å; I150-V384 HydrophobicContact CG1-CG1 4.28Å; M280-V384 HydrophobicContact CG-CG1 4.03Å; F284-V384 HydrophobicContact CB-CG1 4.38Å; F284-V384 HydrophobicContact CD1-CG1 4.29Å; F284-V384 HydrophobicContact CD1-CG2 4.4Å; F284-V384 HydrophobicContact CD2-CB 4.49Å; F284-V384 HydrophobicContact CD2-CG2 3.57Å; F284-V384 HydrophobicContact CE1-CG2 4.36Å; F284-V384 HydrophobicContact CE2-CB 4.5Å; F284-V384 HydrophobicContact CE2-CG2 3.54Å; F284-V384 HydrophobicContact CG-CB 4.49Å; F284-V384 HydrophobicContact CG-CG1 4.17Å; F284-V384 HydrophobicContact CG-CG2 4.01Å; F284-V384 HydrophobicContact CZ-CG2 3.95Å; L325-V384 HydrophobicContact CD1-CG2 4.29Å; L325-V384 HydrophobicContact CD2-CG2 4.25Å; A327-V384 HydrophobicContact CB-CG2 3.97Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 3.46Å; V381-V384 PolarHBondContact O-N 3.44Å; V384-I386 PolarHBondContact O-N 3.35Å; V384-V387 PolarHBondContact O-N 3.17Å; V384-I388 HydrophobicContact CG1-CD1 3.82Å; V384-I388 HydrophobicContact CG1-CG1 4.39Å; V384-I388 WeakPolarHBondContact O-CG1 3.43Å; V384-I388 PolarHBondContact O-N 2.92Å
385	Q	98.6	Very high	97.8	Very high	57 Å²	57	21 Å²	21	27%	0.266	11%	0.106	S	C	.	.	H	α-helix	trans	-62.6	-41.7	176.2	-169.6	62.2	54.7	0	0	112.2	I150 V381 E382 L383 V387 I388 D389	I150-Q385 HydrophobicContact CD1-CB 4.14Å; V381-Q385 WeakPolarHBondContact O-CB 3.42Å; V381-Q385 PolarHBondContact O-N 3.46Å; E382-Q385 PolarHBondContact O-N 3.39Å; L383-Q385 VanDerWaalsContact C-N 3.34Å; Q385-V387 VanDerWaalsContact C-N 3.27Å; Q385-V387 PolarHBondContact O-N 2.89Å; Q385-I388 PolarHBondContact O-N 3.16Å; Q385-I388 VanDerWaalsContact O-N 3.13Å; Q385-D389 PolarHBondContact NE2-OD1 2.87Å; Q385-D389 PolarHBondContact O-N 2.76Å
386	I	97.8	Very high	98	Very high	18 Å²	18	24.4 Å²	24.4	9%	0.092	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-42.5	174.2	-74.1	166.4	0	0	0	111.2	R350 L351 E382 L383 V384 G390 L413	R350-I386 HydrophobicContact CB-CG2 4.42Å; L351-I386 HydrophobicContact CD2-CG2 4.48Å; E382-I386 VanDerWaalsContact O-CG1 3.32Å; E382-I386 WeakPolarHBondContact O-CG1 3.44Å; E382-I386 PolarHBondContact O-N 3.2Å; L383-I386 PolarHBondContact O-N 3.36Å; V384-I386 PolarHBondContact O-N 3.35Å; I386-G390 PolarHBondContact O-N 3.03Å; I386-L413 HydrophobicContact CG1-CD1 4.38Å; I386-L413 HydrophobicContact CG2-CD1 4.25Å
387	V	98.6	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-42.3	177.1	174.6	0	0	0	0	110.8	M280 A327 L351 N372 L383 V384 Q385 V391	M280-V387 HydrophobicContact CE-CG1 4.47Å; A327-V387 HydrophobicContact CB-CB 4.44Å; A327-V387 HydrophobicContact CB-CG2 4.08Å; A327-V387 WeakPolarHBondContact O-CG2 3.42Å; L351-V387 HydrophobicContact CD2-CG2 4.22Å; N372-V387 HydrophobicContact CB-CG2 3.75Å; L383-V387 WeakPolarHBondContact O-CG2 3.48Å; L383-V387 PolarHBondContact O-N 3.35Å; L383-V387 VanDerWaalsContact O-N 3.15Å; V384-V387 PolarHBondContact O-N 3.17Å; Q385-V387 VanDerWaalsContact C-N 3.27Å; Q385-V387 PolarHBondContact O-N 2.89Å; V387-V391 HydrophobicContact CG1-CG2 3.99Å; V387-V391 VanDerWaalsContact O-CB 3.26Å; V387-V391 WeakPolarHBondContact O-CB 3.22Å; V387-V391 WeakPolarHBondContact O-CG2 3.28Å; V387-V391 PolarHBondContact O-N 2.81Å
388	I	98.7	Very high	98.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-52.8	177.7	-69.6	165.6	0	0	0	110.8	I150 F155 M280 V384 Q385 G390 N392	I150-I388 HydrophobicContact CD1-CD1 4.5Å; I150-I388 HydrophobicContact CG2-CD1 3.6Å; F155-I388 HydrophobicContact CE1-CB 4.37Å; F155-I388 HydrophobicContact CE1-CG1 4.4Å; F155-I388 HydrophobicContact CE1-CG2 4.34Å; F155-I388 HydrophobicContact CZ-CB 4.38Å; F155-I388 HydrophobicContact CZ-CG1 4.01Å; M280-I388 HydrophobicContact CB-CG1 4.37Å; M280-I388 HydrophobicContact CG-CD1 4.22Å; M280-I388 HydrophobicContact CG-CG1 4Å; V384-I388 HydrophobicContact CG1-CD1 3.82Å; V384-I388 HydrophobicContact CG1-CG1 4.39Å; V384-I388 WeakPolarHBondContact O-CG1 3.43Å; V384-I388 PolarHBondContact O-N 2.92Å; Q385-I388 PolarHBondContact O-N 3.16Å; Q385-I388 VanDerWaalsContact O-N 3.13Å; I388-G390 PolarHBondContact O-N 2.85Å; I388-N392 WeakPolarHBondContact O-CB 3.21Å; I388-N392 VanDerWaalsContact O-CG 3.32Å; I388-N392 PolarHBondContact O-N 3.27Å; I388-N392 VanDerWaalsContact O-N 3.11Å; I388-N392 PolarHBondContact O-ND2 2.88Å; I388-N392 VanDerWaalsContact O-ND2 3.11Å
389	D	98.5	Very high	98.5	Very high	92 Å²	92	24.4 Å²	24.4	49%	0.492	12%	0.119	S	C	.	.	H	α-helix	trans	-64.8	-44.2	-178.1	-63.5	-15.9	0	0	0	111.4	Q385 Y393	Q385-D389 PolarHBondContact NE2-OD1 2.87Å; Q385-D389 PolarHBondContact O-N 2.76Å; D389-Y393 PolarHBondContact O-N 2.94Å
390	G	98.4	Very high	98.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-66.7	-45.4	-178.6	0	0	0	0	0	112.9	I386 I388 Y393 L394	I386-G390 PolarHBondContact O-N 3.03Å; I388-G390 PolarHBondContact O-N 2.85Å; G390-Y393 WeakPolarHBondContact O-CB 3.45Å; G390-Y393 PolarHBondContact O-N 3.41Å; G390-L394 WeakPolarHBondContact O-CG 3.19Å; G390-L394 PolarHBondContact O-N 2.9Å
391	V	98.6	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-41.8	177.9	170.3	0	0	0	0	111.1	F155 V160 V329 I370 V387 Y393 L394 V395	F155-V391 HydrophobicContact CD1-CB 4.27Å; F155-V391 HydrophobicContact CD1-CG1 3.78Å; F155-V391 HydrophobicContact CD2-CG1 4.48Å; F155-V391 HydrophobicContact CE1-CB 3.7Å; F155-V391 HydrophobicContact CE1-CG1 3.71Å; F155-V391 HydrophobicContact CE2-CG1 4.39Å; F155-V391 HydrophobicContact CG-CG1 4.18Å; F155-V391 HydrophobicContact CZ-CB 3.93Å; F155-V391 HydrophobicContact CZ-CG1 4.02Å; F155-V391 HydrophobicContact CZ-CG2 4.4Å; V160-V391 HydrophobicContact CG2-CG1 3.92Å; V329-V391 HydrophobicContact CG2-CB 4.45Å; V329-V391 HydrophobicContact CG2-CG1 3.9Å; V329-V391 HydrophobicContact CG2-CG2 3.61Å; I370-V391 HydrophobicContact CG2-CG2 4.38Å; V387-V391 HydrophobicContact CG1-CG2 3.99Å; V387-V391 VanDerWaalsContact O-CB 3.26Å; V387-V391 WeakPolarHBondContact O-CB 3.22Å; V387-V391 WeakPolarHBondContact O-CG2 3.28Å; V387-V391 PolarHBondContact O-N 2.81Å; V391-Y393 VanDerWaalsContact C-N 3.28Å; V391-Y393 PolarHBondContact O-N 3.2Å; V391-L394 PolarHBondContact O-N 3.48Å; V391-V395 HydrophobicContact CG1-CG2 4.48Å; V391-V395 WeakPolarHBondContact O-CG2 3.38Å; V391-V395 PolarHBondContact O-N 3.43Å
392	N	98.7	Very high	98.5	Very high	62 Å²	62	33.5 Å²	33.5	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-57.7	-42.9	173.6	-78.2	-32.1	0	0	0	111.5	F155 I388 L394 V395 E396	F155-N392 WeakPolarHBondContact CD1-OD1 3.3Å; I388-N392 WeakPolarHBondContact O-CB 3.21Å; I388-N392 VanDerWaalsContact O-CG 3.32Å; I388-N392 PolarHBondContact O-N 3.27Å; I388-N392 VanDerWaalsContact O-N 3.11Å; I388-N392 PolarHBondContact O-ND2 2.88Å; I388-N392 VanDerWaalsContact O-ND2 3.11Å; N392-L394 PolarHBondContact O-N 2.91Å; N392-V395 PolarHBondContact O-N 3.17Å; N392-E396 WeakPolarHBondContact O-CG 2.99Å; N392-E396 PolarHBondContact O-N 3.4Å
393	Y	98.7	Very high	98.5	Very high	69 Å²	69	37.6 Å²	37.6	27%	0.271	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-42.3	175.8	-171.1	-89.4	0	0	0	113.1	I345 L349 D389 G390 V391 E396 C397 K408 P410	I345-Y393 HydrophobicContact CG2-CD1 4.19Å; I345-Y393 HydrophobicContact CG2-CE1 4.08Å; L349-Y393 HydrophobicContact CD1-CD1 3.84Å; L349-Y393 HydrophobicContact CD1-CG 4.31Å; D389-Y393 PolarHBondContact O-N 2.94Å; G390-Y393 WeakPolarHBondContact O-CB 3.45Å; G390-Y393 PolarHBondContact O-N 3.41Å; V391-Y393 VanDerWaalsContact C-N 3.28Å; V391-Y393 PolarHBondContact O-N 3.2Å; Y393-E396 PolarHBondContact O-N 2.58Å; Y393-C397 WeakPolarHBondContact CE1-SG 3.29Å; Y393-C397 PolarHBondContact O-N 3.1Å; Y393-C397 PolarHBondContact O-SG 3.49Å; Y393-K408 PolarHBondContact OH-O 3.23Å; Y393-P410 HydrophobicContact CD1-CG 4.4Å; Y393-P410 HydrophobicContact CE1-CB 4.33Å; Y393-P410 HydrophobicContact CE1-CG 3.85Å; Y393-P410 HydrophobicContact CE2-CB 4.29Å
394	L	98.6	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-43.2	177.5	-63.6	177.2	0	0	0	111.4	L336 F342 I345 L346 L349 L351 I370 G390 V391 N392 C397 E398	L336-L394 HydrophobicContact CD2-CB 4.05Å; L336-L394 HydrophobicContact CD2-CD2 3.7Å; L336-L394 HydrophobicContact CD2-CG 4.45Å; F342-L394 HydrophobicContact CE2-CD2 4.28Å; I345-L394 HydrophobicContact CG2-CD2 3.7Å; L346-L394 HydrophobicContact CD2-CD1 3.99Å; L346-L394 HydrophobicContact CD2-CD2 4.26Å; L349-L394 HydrophobicContact CD1-CD2 4.23Å; L351-L394 HydrophobicContact CD1-CD1 4.05Å; I370-L394 HydrophobicContact CG1-CD1 4.32Å; I370-L394 HydrophobicContact CG2-CD1 3.85Å; G390-L394 WeakPolarHBondContact O-CG 3.19Å; G390-L394 PolarHBondContact O-N 2.9Å; V391-L394 PolarHBondContact O-N 3.48Å; N392-L394 PolarHBondContact O-N 2.91Å; L394-C397 WeakPolarHBondContact O-CB 3.47Å; L394-C397 PolarHBondContact O-N 3.14Å; L394-E398 PolarHBondContact O-N 3.04Å
395	V	98.6	Very high	98.5	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-42	176.3	170.1	0	0	0	0	111.2	D156 Y159 V331 V391 N392 C397 E398 K399	D156-V395 HydrophobicContact CB-CG1 4.16Å; Y159-V395 HydrophobicContact CD2-CG1 3.68Å; Y159-V395 HydrophobicContact CE2-CG1 4.12Å; Y159-V395 HydrophobicContact CG-CG1 4.03Å; Y159-V395 HydrophobicContact CG-CG2 4.38Å; V331-V395 HydrophobicContact CG2-CG2 4.2Å; V391-V395 HydrophobicContact CG1-CG2 4.48Å; V391-V395 WeakPolarHBondContact O-CG2 3.38Å; V391-V395 PolarHBondContact O-N 3.43Å; N392-V395 PolarHBondContact O-N 3.17Å; V395-C397 VanDerWaalsContact C-N 3.3Å; V395-C397 PolarHBondContact O-N 2.97Å; V395-E398 PolarHBondContact O-N 2.65Å; V395-K399 HydrophobicContact CG1-CD 4.13Å; V395-K399 WeakPolarHBondContact O-CB 3.38Å; V395-K399 WeakPolarHBondContact O-CG 3.3Å; V395-K399 PolarHBondContact O-N 3.48Å
396	E	98.6	Very high	98.4	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-34.4	175.7	-74.7	-56	126	0	0	112.7	N392 Y393 K399 K400	N392-E396 WeakPolarHBondContact O-CG 2.99Å; N392-E396 PolarHBondContact O-N 3.4Å; Y393-E396 PolarHBondContact O-N 2.58Å; E396-K399 IonicContact OE1-NZ 3.09Å; E396-K399 PolarHBondContact OE1-NZ 3.44Å; E396-K400 WeakPolarHBondContact O-CG 3.44Å; E396-K400 PolarHBondContact O-N 3Å; E396-K400 VanDerWaalsContact O-N 3.07Å
397	C	98.6	Very high	98.5	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-44.3	173.1	-72.6	0	0	0	0	111.7	L336 Y393 L394 V395 K400 L401 I407	L336-C397 HydrophobicContact CD1-CB 4.2Å; L336-C397 HydrophobicContact CD2-CB 4.01Å; Y393-C397 WeakPolarHBondContact CE1-SG 3.29Å; Y393-C397 PolarHBondContact O-N 3.1Å; Y393-C397 PolarHBondContact O-SG 3.49Å; L394-C397 WeakPolarHBondContact O-CB 3.47Å; L394-C397 PolarHBondContact O-N 3.14Å; V395-C397 VanDerWaalsContact C-N 3.3Å; V395-C397 PolarHBondContact O-N 2.97Å; C397-K400 PolarHBondContact O-N 2.69Å; C397-L401 WeakPolarHBondContact O-CG 3.12Å; C397-L401 PolarHBondContact O-N 3.23Å; C397-I407 HydrophobicContact CB-CB 4.43Å; C397-I407 HydrophobicContact CB-CD1 4.31Å; C397-I407 HydrophobicContact CB-CG2 3.91Å
398	E	98.6	Very high	98.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-50.5	175	-171.9	64.2	-159.1	0	0	111	Y159 I333 P334 K335 L336 L394 V395 K400 L401 E402	Y159-E398 HydrophobicContact CD1-CB 4.43Å; Y159-E398 HydrophobicContact CD1-CG 3.95Å; Y159-E398 HydrophobicContact CE1-CB 4.2Å; Y159-E398 HydrophobicContact CE1-CG 3.62Å; I333-E398 VanDerWaalsContact C-OE2 3.31Å; I333-E398 WeakPolarHBondContact CA-OE2 3.42Å; I333-E398 HydrophobicContact CB-CG 4.5Å; I333-E398 HydrophobicContact CG2-CB 4.07Å; I333-E398 HydrophobicContact CG2-CG 4.17Å; P334-E398 WeakPolarHBondContact CD-OE1 3.36Å; P334-E398 WeakPolarHBondContact CG-OE1 3.46Å; K335-E398 VanDerWaalsContact CB-OE1 3.27Å; K335-E398 WeakPolarHBondContact CB-OE1 3.46Å; K335-E398 WeakPolarHBondContact CG-OE1 3.21Å; K335-E398 PolarHBondContact N-OE1 2.74Å; K335-E398 PolarHBondContact N-OE2 2.97Å; L336-E398 WeakPolarHBondContact CB-OE2 3.36Å; L336-E398 PolarHBondContact N-OE2 2.91Å; L394-E398 PolarHBondContact O-N 3.04Å; V395-E398 PolarHBondContact O-N 2.65Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.23Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-L401 VanDerWaalsContact O-N 3.12Å; E398-E402 WeakPolarHBondContact O-CG 3.33Å; E398-E402 PolarHBondContact O-N 2.97Å
399	K	98.7	Very high	98.4	Very high	39 Å²	39	58 Å²	58	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-55.5	-38.8	176.4	-77.3	173.1	179.3	178.1	0	113.5	D156 Y159 V395 E396 R403	D156-K399 WeakPolarHBondContact OD2-CE 3.18Å; D156-K399 IonicContact OD2-NZ 2.74Å; D156-K399 PolarHBondContact OD2-NZ 2.83Å; Y159-K399 HydrophobicContact CE2-CD 4.32Å; Y159-K399 VanDerWaalsContact CE2-CE 3.41Å; Y159-K399 HydrophobicContact CE2-CG 3.95Å; Y159-K399 VanDerWaalsContact OH-CG 3.22Å; Y159-K399 WeakPolarHBondContact OH-CG 3.4Å; V395-K399 HydrophobicContact CG1-CD 4.13Å; V395-K399 WeakPolarHBondContact O-CB 3.38Å; V395-K399 WeakPolarHBondContact O-CG 3.3Å; V395-K399 PolarHBondContact O-N 3.48Å; E396-K399 IonicContact OE1-NZ 3.09Å; E396-K399 PolarHBondContact OE1-NZ 3.44Å; K399-R403 PolarHBondContact O-N 3.05Å; K399-R403 PolarHBondContact O-NH1 3.32Å
400	K	98.6	Very high	98.4	Very high	83 Å²	83	54.3 Å²	54.3	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-47	176.5	-79.5	177.3	178.7	-179.3	0	111.4	E396 C397 E398 E402 R403 G404 Q405 I407	E396-K400 WeakPolarHBondContact O-CG 3.44Å; E396-K400 PolarHBondContact O-N 3Å; E396-K400 VanDerWaalsContact O-N 3.07Å; C397-K400 PolarHBondContact O-N 2.69Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.23Å; K400-E402 VanDerWaalsContact C-N 3.29Å; K400-E402 PolarHBondContact O-N 2.86Å; K400-R403 CarbonylContact O-C 3.51Å; K400-R403 PolarHBondContact O-N 3.44Å; K400-G404 PolarHBondContact O-N 2.95Å; K400-Q405 HydrophobicContact CB-CB 4.06Å; K400-Q405 HydrophobicContact CG-CB 4.42Å; K400-Q405 WeakPolarHBondContact O-CB 3.41Å; K400-Q405 PolarHBondContact O-N 3.16Å; K400-I407 HydrophobicContact CB-CG2 3.87Å; K400-I407 HydrophobicContact CD-CG2 4.28Å
401	L	98.5	Very high	98.3	Very high	35 Å²	35	59.4 Å²	59.4	18%	0.183	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-35.7	178.8	-67.6	174	0	0	0	112	K335 L336 C397 E398 R403 G404 I407	K335-L401 HydrophobicContact CB-CB 3.69Å; K335-L401 HydrophobicContact CB-CD1 3.94Å; K335-L401 HydrophobicContact CB-CG 4.48Å; K335-L401 HydrophobicContact CG-CB 4.29Å; L336-L401 HydrophobicContact CB-CD1 4.04Å; L336-L401 HydrophobicContact CD1-CD1 4.26Å; C397-L401 WeakPolarHBondContact O-CG 3.12Å; C397-L401 PolarHBondContact O-N 3.23Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-L401 VanDerWaalsContact O-N 3.12Å; L401-R403 VanDerWaalsContact C-N 3.26Å; L401-R403 PolarHBondContact O-N 3Å; L401-G404 PolarHBondContact O-N 3.02Å; L401-I407 HydrophobicContact CD1-CD1 4.1Å; L401-I407 HydrophobicContact CD2-CD1 4.47Å; L401-I407 HydrophobicContact CD2-CG1 4.33Å; L401-I407 HydrophobicContact CD2-CG2 4.13Å; L401-I407 HydrophobicContact CG-CD1 4.46Å; L401-I407 HydrophobicContact CG-CG2 3.95Å
402	E	98.1	Very high	98	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-34.5	172.7	-73.4	173	160.9	0	0	112.7	Y159 K335 E398 K400 G404	Y159-E402 WeakPolarHBondContact CE1-OE1 3.48Å; Y159-E402 PolarHBondContact OH-OE2 3.3Å; K335-E402 HydrophobicContact CG-CG 4.36Å; E398-E402 WeakPolarHBondContact O-CG 3.33Å; E398-E402 PolarHBondContact O-N 2.97Å; K400-E402 VanDerWaalsContact C-N 3.29Å; K400-E402 PolarHBondContact O-N 2.86Å; E402-G404 VanDerWaalsContact C-N 3.3Å
403	R	98.3	Very high	97.7	Very high	138 Å²	138	64 Å²	64	52%	0.521	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	6	175	-65.6	-174.2	-63.1	-92.6	0.2	113.9	K399 K400 L401 Q405	K399-R403 PolarHBondContact O-N 3.05Å; K399-R403 PolarHBondContact O-NH1 3.32Å; K400-R403 CarbonylContact O-C 3.51Å; K400-R403 PolarHBondContact O-N 3.44Å; L401-R403 VanDerWaalsContact C-N 3.26Å; L401-R403 PolarHBondContact O-N 3Å; R403-Q405 VanDerWaalsContact C-N 3.27Å; R403-Q405 HydrophobicContact CB-CG 4.09Å; R403-Q405 PolarHBondContact O-N 2.84Å
404	G	97.7	Very high	97.1	Very high	73 Å²	73	65 Å²	65	75%	0.753	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	23.1	-176	0	0	0	0	0	114.2	K400 L401 E402	K400-G404 PolarHBondContact O-N 2.95Å; L401-G404 PolarHBondContact O-N 3.02Å; E402-G404 VanDerWaalsContact C-N 3.3Å
405	Q	98.3	Very high	96	Very high	94 Å²	94	68.9 Å²	68.9	44%	0.439	37%	0.368	S	S	.	.			trans	-94.9	149.7	178.4	-61.1	175	-25.7	0	0	110.9	K400 R403	K400-Q405 HydrophobicContact CB-CB 4.06Å; K400-Q405 HydrophobicContact CG-CB 4.42Å; K400-Q405 WeakPolarHBondContact O-CB 3.41Å; K400-Q405 PolarHBondContact O-N 3.16Å; R403-Q405 VanDerWaalsContact C-N 3.27Å; R403-Q405 HydrophobicContact CB-CG 4.09Å; R403-Q405 PolarHBondContact O-N 2.84Å
406	D	97.9	Very high	95.1	Very high	116 Å²	116	71.8 Å²	71.8	62%	0.62	38%	0.381	S	S	*	.			trans	-76.1	153	176.8	-168.9	34.2	0	0	0	112.6	R341	R341-D406 IonicContact CZ-OD1 3.45Å; R341-D406 IonicContact NH1-OD1 3.39Å; R341-D406 PolarHBondContact NH1-OD1 2.96Å; R341-D406 IonicContact NH1-OD2 2.77Å; R341-D406 IonicContact NH2-OD1 3.91Å; R341-D406 PolarHBondContact NH2-OD1 3.32Å; R341-D406 VanDerWaalsContact NH2-OD1 3.09Å
407	I	98.4	Very high	93.6	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	37%	0.372	C	S	.	.			trans	-116	161.9	178	61.9	167.6	0	0	0	110.6	L336 R341 I345 C397 K400 L401	L336-I407 HydrophobicContact CD1-CD1 3.57Å; R341-I407 VanDerWaalsContact CZ-CG1 3.48Å; R341-I407 PolarHBondContact NH1-O 3.5Å; R341-I407 VanDerWaalsContact NH2-CG1 3.3Å; I345-I407 HydrophobicContact CD1-CD1 3.92Å; C397-I407 HydrophobicContact CB-CB 4.43Å; C397-I407 HydrophobicContact CB-CD1 4.31Å; C397-I407 HydrophobicContact CB-CG2 3.91Å; K400-I407 HydrophobicContact CB-CG2 3.87Å; K400-I407 HydrophobicContact CD-CG2 4.28Å; L401-I407 HydrophobicContact CD1-CD1 4.1Å; L401-I407 HydrophobicContact CD2-CD1 4.47Å; L401-I407 HydrophobicContact CD2-CG1 4.33Å; L401-I407 HydrophobicContact CD2-CG2 4.13Å; L401-I407 HydrophobicContact CG-CD1 4.46Å; L401-I407 HydrophobicContact CG-CG2 3.95Å
408	K	97.6	Very high	91.8	Very high	165 Å²	165	78 Å²	78	72%	0.717	41%	0.412	S	S	*	.			trans	-115.4	156.9	178	-66.4	-174.9	178.9	-178.1	0	110	Y393	Y393-K408 PolarHBondContact OH-O 3.23Å
409	V	98.3	Very high	89.5	Confident	60 Å²	60	91.2 Å²	91.2	36%	0.364	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-84.2	122.7	165.8	-179.6	0	0	0	0	106.9	R341 K344 I345 N348	R341-V409 HydrophobicContact CB-CG2 3.99Å; R341-V409 HydrophobicContact CG-CG2 4.21Å; K344-V409 HydrophobicContact CB-CG1 4.39Å; K344-V409 HydrophobicContact CG-CG1 3.86Å; I345-V409 HydrophobicContact CG1-CG1 4.47Å; I345-V409 HydrophobicContact CG1-CG2 4.23Å; N348-V409 WeakPolarHBondContact ND2-CG1 3.44Å
410	P	97.5	Very high	89.1	Confident	14 Å²	14	93.8 Å²	93.8	9%	0.091	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-67.7	153.8	177.7	29	-32.6	0	0	0	109.9	I345 N348 L349 Y393	I345-P410 HydrophobicContact CG2-CG 4.42Å; N348-P410 HydrophobicContact CB-CG 4.39Å; N348-P410 WeakPolarHBondContact CB-O 3.37Å; N348-P410 PolarHBondContact ND2-O 3.33Å; L349-P410 HydrophobicContact CD1-CG 4.34Å; L349-P410 HydrophobicContact CD2-CB 4.25Å; L349-P410 HydrophobicContact CD2-CG 3.78Å; L349-P410 HydrophobicContact CG-CG 3.82Å; Y393-P410 HydrophobicContact CD1-CG 4.4Å; Y393-P410 HydrophobicContact CE1-CB 4.33Å; Y393-P410 HydrophobicContact CE1-CG 3.85Å; Y393-P410 HydrophobicContact CE2-CB 4.29Å
411	P	96.6	Very high	88.6	Confident	107 Å²	107	94.4 Å²	94.4	70%	0.695	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61.3	151.6	171.7	28.3	-34.6	0	0	0	110.6	L413	P411-L413 PolarHBondContact O-N 3.35Å
412	P	93.9	Very high	88	Confident	92 Å²	92	97.7 Å²	97.7	60%	0.597	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.1	134.1	178	27	-33.6	0	0	0	110.9	N348	N348-P412 HydrophobicContact CB-CB 4.37Å
413	L	91.3	Very high	87.4	Confident	66 Å²	66	97.9 Å²	97.9	35%	0.346	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-63.2	148.4	171.3	-68.6	177	0	0	0	110.5	N348 R350 I386 P411	N348-L413 PolarHBondContact O-N 3.31Å; R350-L413 HydrophobicContact CG-CB 3.98Å; R350-L413 HydrophobicContact CG-CD1 4.12Å; I386-L413 HydrophobicContact CG1-CD1 4.38Å; I386-L413 HydrophobicContact CG2-CD1 4.25Å; P411-L413 PolarHBondContact O-N 3.35Å
414	P	85.8	Confident	86.7	Confident	91 Å²	91	95.4 Å²	95.4	59%	0.591	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-57.3	151.2	171.4	25.3	-33.1	0	0	0	110.1	R378	R378-P414 PolarHBondContact NH2-O 3.4Å
415	Q	76.4	Confident	86	Confident	82 Å²	82	96.9 Å²	96.9	38%	0.383	50%	0.496	S	S	.	.	S	Bend	trans	-71.5	-41	-171.2	-159.4	150.6	15.4	0	0	112.7	N132 R378	N132-Q415 VanDerWaalsContact C-NE2 3.31Å; N132-Q415 PolarHBondContact ND2-NE2 3.24Å; N132-Q415 VanDerWaalsContact O-CG 3.32Å; N132-Q415 WeakPolarHBondContact O-CG 3.32Å; N132-Q415 PolarHBondContact O-NE2 3.19Å; N132-Q415 PolarHBondContact OD1-NE2 2.97Å; R378-Q415 PolarHBondContact NE-O 3.27Å
416	F	80.1	Confident	85.1	Confident	64 Å²	64	97.1 Å²	97.1	28%	0.281	50%	0.5	S	S	.	.	S	Bend	trans	-115	158.9	-178	-55.9	-62.8	0	0	0	112.6	N132 G133 Y134 M139 R378	N132-F416 WeakPolarHBondContact O-CZ 3.44Å; G133-F416 VanDerWaalsContact C-CZ 3.44Å; Y134-F416 HydrophobicContact CD2-CE1 4.41Å; M139-F416 HydrophobicContact CE-CE2 4.12Å; M139-F416 HydrophobicContact CE-CZ 4.34Å; M139-F416 HydrophobicContact SD-CZ 4.39Å; R378-F416 VanDerWaalsContact CZ-C 3.48Å; R378-F416 VanDerWaalsContact NH2-C 3.26Å; R378-F416 PolarHBondContact NH2-O 3.19Å
417	G	65.3	Low	84.1	Confident	21 Å²	21	95.6 Å²	95.6	22%	0.216	49%	0.49	C	S	.	.			trans	-60.4	162.8	174.7	0	0	0	0	0	113.2	G377 E382	G377-G417 PolarHBondContact O-N 2.78Å; E382-G417 WeakPolarHBondContact OE1-CA 3.4Å
418	K	61.1	Low	83	Confident	201 Å²	201	103.4 Å²	103.4	87%	0.874	53%	0.53	S	S	*	.			trans	-77.7	128.7	167	-70.3	-177	179.5	178.7	0	106.8	E382	E382-K418 PolarHBondContact OE1-N 2.73Å
419	K	51.5	Low	81.6	Confident	278 Å²	278	97.8 Å²	97.8	100%	1.209	51%	0.513	S	S	*	.			trans	-60.9	0	179.2	-76.1	-174.9	178.3	-179.5	0	112.3

Retrieved 419 of 419 residues in 252.9 ms (Link to these results)

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