A0A096M4E5_POEFO Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB , UniProt , Accession A0A096M4E5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	32.4	Very low	245 Å²	245	148.2 Å²	148.2	100%	1.207	83%	0.833	S	S	*	*				0	128.3	0	-86.1	-143.3	-83.7	0	0	107.9
2	A	34.8	Very low	32.3	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	83%	0.827	S	S	*	*			trans	11.7	133.3	165.6	0	0	0	0	0	118.7
3	G	29.2	Very low	32.4	Very low	68 Å²	68	152.1 Å²	152.1	70%	0.701	83%	0.832	S	S	*	*			cis	115.5	150.7	29.2	0	0	0	0	0	109.9
4	Y	34	Very low	32.2	Very low	208 Å²	208	149.8 Å²	149.8	82%	0.816	83%	0.833	S	S	*	*			trans	105.6	99.8	170.9	-70.8	-92.2	0	0	0	116.8
5	L	33.9	Very low	32.2	Very low	135 Å²	135	146.8 Å²	146.8	71%	0.707	84%	0.835	S	S	*	*				84	126.5	77.4	-98.5	139.8	0	0	0	111.3
6	K	31.5	Very low	31.9	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	84%	0.837	S	S	*	*				-162.2	150.3	52	-103.7	167.8	-175.7	177.4	0	112.7
7	V	32.4	Very low	31.9	Very low	121 Å²	121	140.6 Å²	140.6	73%	0.733	84%	0.839	S	S	*	*			trans	-127.2	133	167.6	165.8	0	0	0	0	107.6
8	L	30.9	Very low	31.8	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	84%	0.838	S	S	*	*			trans	56.4	153.7	154.6	-64.9	164.6	0	0	0	117.9
9	S	31.1	Very low	31.8	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	84%	0.841	S	S	*	*			cis	-164.3	159	16.5	43	0	0	0	0	108.5
10	S	30.1	Very low	31.7	Very low	122 Å²	122	139 Å²	139	85%	0.853	84%	0.84	S	S	*	*			trans	-169.2	136.3	130.9	58.8	0	0	0	0	111.6
11	L	31.5	Very low	31.8	Very low	168 Å²	168	144 Å²	144	88%	0.88	84%	0.844	S	S	*	*			trans	-109	139.2	173.8	-90.4	155.3	0	0	0	107.9
12	S	31.2	Very low	31.5	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	83%	0.826	S	S	*	*				150.4	122.1	115.9	58.2	0	0	0	0	115.7
13	R	32.9	Very low	32.3	Very low	239 Å²	239	140.6 Å²	140.6	90%	0.902	82%	0.823	S	S	*	*			trans	41.9	127.8	138.8	-58.2	-178.2	-166.3	-154.8	2.8	119.6
14	S	30.9	Very low	32.3	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	83%	0.831	S	S	*	*				173.1	159.8	77.6	37.5	0	0	0	0	107
15	A	30.9	Very low	32.3	Very low	105 Å²	105	138.9 Å²	138.9	87%	0.868	83%	0.831	S	S	*	*			cis	-168.1	154.4	-9	0	0	0	0	0	104.9
16	G	28.5	Very low	32.3	Very low	84 Å²	84	140.6 Å²	140.6	87%	0.866	84%	0.84	S	S	*	*			trans	163.6	82.3	172.5	0	0	0	0	0	112.4
17	A	31.1	Very low	32.3	Very low	105 Å²	105	135.5 Å²	135.5	87%	0.868	83%	0.834	S	S	*	*			trans	-77.7	145.8	-179.5	0	0	0	0	0	112.5
18	A	29.8	Very low	32.5	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	84%	0.838	S	S	*	*				-169.8	134.4	126	0	0	0	0	0	111.3
19	L	31.6	Very low	32.6	Very low	173 Å²	173	132.6 Å²	132.6	91%	0.906	84%	0.836	S	S	*	*			trans	-65.2	160.6	175.7	-61.6	130.1	0	0	0	110.3
20	S	30.4	Very low	32.8	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	84%	0.84	S	S	*	*				179.8	178.4	52.8	66.5	0	0	0	0	111
21	R	33.4	Very low	33	Very low	244 Å²	244	134 Å²	134	92%	0.921	84%	0.84	S	S	*	*			trans	-74	149.7	-163.2	-67.1	165.4	164.9	179.1	-6.1	116.3
22	N	30.8	Very low	33.2	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	84%	0.837	S	S	*	*			trans	-51.9	177.9	157.8	-87.6	-15.9	0	0	0	114.2
23	P	51.6	Low	33.4	Very low	119 Å²	119	135 Å²	135	77%	0.773	84%	0.84	S	S	*	*			cis	-135.5	162.7	-37.5	35.8	-19.3	0	0	0	112.2
24	A	29	Very low	33.5	Very low	104 Å²	104	129.7 Å²	129.7	86%	0.86	83%	0.834	S	S	*	*			trans	-156.5	130.2	159.4	0	0	0	0	0	112.6
25	V	34.6	Very low	33.7	Very low	135 Å²	135	131.6 Å²	131.6	82%	0.818	83%	0.834	S	S	*	*			trans	-55.9	139.7	170.9	173	0	0	0	0	111.4
26	L	33.4	Very low	33.9	Very low	171 Å²	171	134.8 Å²	134.8	90%	0.895	83%	0.831	S	S	*	*			trans	-176.5	141.5	131.9	-94.4	158	0	0	0	112.2
27	A	32.8	Very low	34.2	Very low	86 Å²	86	138.7 Å²	138.7	71%	0.711	83%	0.827	S	S	*	*			trans	-41.5	160.8	-169.1	0	0	0	0	0	120.8
28	P	36.4	Very low	34.4	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	82%	0.819	S	S	*	*			trans	-86.4	144.3	179.4	35.5	-32.6	0	0	0	112.9
29	A	33.7	Very low	34.8	Very low	99 Å²	99	144.9 Å²	144.9	82%	0.818	82%	0.817	S	S	*	*			trans	-71.2	125.8	165.7	0	0	0	0	0	110	N31	A29-N31 PolarHBondContact O-N 3.32Å
30	A	35.2	Very low	35.2	Very low	101 Å²	101	145.5 Å²	145.5	84%	0.835	81%	0.809	S	S	*	*			trans	-70.4	108.9	178	0	0	0	0	0	110.9
31	N	33.3	Very low	36.4	Very low	158 Å²	158	144 Å²	144	85%	0.845	80%	0.804	S	S	*	*			trans	-90.2	106.1	160	-98.3	-6.7	0	0	0	108.5	A29 Q33	A29-N31 PolarHBondContact O-N 3.32Å; N31-Q33 PolarHBondContact O-N 2.8Å
32	C	35.8	Very low	38.4	Very low	121 Å²	121	135.7 Å²	135.7	82%	0.818	78%	0.777	S	S	*	*			trans	-71.5	93.1	173.4	-161.7	0	0	0	0	108.9
33	Q	35	Very low	41.2	Very low	175 Å²	175	137 Å²	137	82%	0.818	78%	0.776	S	S	*	*			trans	-88.4	107.6	160.2	-74.6	-174.6	-11.9	0	0	107.4	N31 L35	N31-Q33 PolarHBondContact O-N 2.8Å; Q33-L35 VanDerWaalsContact C-N 3.32Å; Q33-L35 PolarHBondContact O-N 3.14Å
34	T	35.8	Very low	43.3	Very low	128 Å²	128	135 Å²	135	79%	0.785	75%	0.753	S	S	*	*			trans	-60.5	94.8	167	35.1	0	0	0	0	108.8	Q36	T34-Q36 PolarHBondContact O-N 3.3Å; T34-Q36 VanDerWaalsContact O-N 3.08Å
35	L	35.6	Very low	46.6	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	72%	0.721	S	S	*	*			trans	-56.3	113.6	161.3	-80.1	160.1	0	0	0	106.7	Q33 Q37	Q33-L35 VanDerWaalsContact C-N 3.32Å; Q33-L35 PolarHBondContact O-N 3.14Å; L35-Q37 PolarHBondContact O-N 3.31Å
36	Q	34.4	Very low	49.6	Very low	172 Å²	172	130.6 Å²	130.6	80%	0.804	71%	0.705	S	S	*	*			trans	-59.1	93.2	162.6	-79.7	-178.5	-16.3	0	0	107.3	T34 R38	T34-Q36 PolarHBondContact O-N 3.3Å; T34-Q36 VanDerWaalsContact O-N 3.08Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.84Å
37	Q	35.2	Very low	52.7	Low	165 Å²	165	123.3 Å²	123.3	77%	0.771	67%	0.667	S	S	*	*			trans	-62.2	96.1	161.8	-88.2	-177.1	-20.5	0	0	106.6	L35 N39	L35-Q37 PolarHBondContact O-N 3.31Å; Q37-N39 PolarHBondContact O-N 3.12Å
38	R	34.8	Very low	55.8	Low	189 Å²	189	123.4 Å²	123.4	71%	0.713	67%	0.668	S	S	*	*			trans	-65.2	96.9	157.2	-70.4	-176.3	177.9	178.2	-2.3	105.8	Q36 Y40	Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.84Å; R38-Y40 HydrophobicContact CB-CD2 4.07Å; R38-Y40 HydrophobicContact CB-CE2 3.95Å; R38-Y40 PolarHBondContact O-N 3.25Å
39	N	38.2	Very low	58.7	Low	146 Å²	146	121 Å²	121	78%	0.781	65%	0.648	S	S	*	*			trans	-64.5	78.1	166.4	-85.4	-21.9	0	0	0	108.5	Q37 A41	Q37-N39 PolarHBondContact O-N 3.12Å; N39-A41 PolarHBondContact O-N 3.33Å
40	Y	40.3	Very low	61.8	Low	185 Å²	185	116.9 Å²	116.9	73%	0.725	61%	0.613	S	S	*	*			trans	-69.9	111.9	149.5	-69.9	-76.6	0	0	0	105	R38 D42	R38-Y40 HydrophobicContact CB-CD2 4.07Å; R38-Y40 HydrophobicContact CB-CE2 3.95Å; R38-Y40 PolarHBondContact O-N 3.25Å; Y40-D42 PolarHBondContact O-N 2.98Å
41	A	54.3	Low	64.8	Low	86 Å²	86	112.1 Å²	112.1	71%	0.711	57%	0.574	S	S	*	*			trans	-49.3	119.7	169.7	0	0	0	0	0	107.7	N39 K43	N39-A41 PolarHBondContact O-N 3.33Å; A41-K43 PolarHBondContact O-N 2.67Å
42	D	76.7	Confident	68	Low	69 Å²	69	104.6 Å²	104.6	37%	0.369	53%	0.533	S	S	.	.			trans	-59.7	105.9	179.4	-176.5	5	0	0	0	108.2	Y40 R44 K46	Y40-D42 PolarHBondContact O-N 2.98Å; D42-R44 PolarHBondContact O-N 3.31Å; D42-R44 WeakPolarHBondContact OD1-CB 3.3Å; D42-R44 WeakPolarHBondContact OD1-CG 3.43Å; D42-R44 IonicContact OD1-CZ 3Å; D42-R44 PolarHBondContact OD1-N 3.29Å; D42-R44 VanDerWaalsContact OD1-N 3.12Å; D42-R44 IonicContact OD1-NE 3.44Å; D42-R44 PolarHBondContact OD1-NE 2.82Å; D42-R44 IonicContact OD1-NH2 2.98Å; D42-R44 IonicContact OD2-CZ 3.9Å; D42-R44 IonicContact OD2-NE 3.78Å; D42-R44 PolarHBondContact OD2-NE 2.91Å; D42-R44 IonicContact OD2-NH2 2.72Å; D42-R44 PolarHBondContact OD2-NH2 3.47Å; D42-K46 IonicContact OD2-NZ 3.09Å; D42-K46 PolarHBondContact OD2-NZ 3.27Å
43	K	89.1	Confident	71	Confident	184 Å²	184	98.9 Å²	98.9	80%	0.8	50%	0.495	S	S	*	.			trans	-75.2	0.7	-178.9	-67.3	-174.1	178.4	-178.3	0	112.5	A41	A41-K43 PolarHBondContact O-N 2.67Å
44	R	96.3	Very high	74	Confident	77 Å²	77	90.6 Å²	90.6	29%	0.291	46%	0.456	S	S	.	.	S	Bend	trans	-73.9	142.3	179.5	-64.1	179.1	-62.8	147.1	10.9	111.1	D42 K46 L73 N75 D77	D42-R44 PolarHBondContact O-N 3.31Å; D42-R44 WeakPolarHBondContact OD1-CB 3.3Å; D42-R44 WeakPolarHBondContact OD1-CG 3.43Å; D42-R44 IonicContact OD1-CZ 3Å; D42-R44 PolarHBondContact OD1-N 3.29Å; D42-R44 VanDerWaalsContact OD1-N 3.12Å; D42-R44 IonicContact OD1-NE 3.44Å; D42-R44 PolarHBondContact OD1-NE 2.82Å; D42-R44 IonicContact OD1-NH2 2.98Å; D42-R44 IonicContact OD2-CZ 3.9Å; D42-R44 IonicContact OD2-NE 3.78Å; D42-R44 PolarHBondContact OD2-NE 2.91Å; D42-R44 IonicContact OD2-NH2 2.72Å; D42-R44 PolarHBondContact OD2-NH2 3.47Å; R44-K46 PolarHBondContact O-N 2.97Å; R44-L73 WeakPolarHBondContact CD-O 3.39Å; R44-N75 CarbonylContact C-O 3.56Å; R44-N75 VanDerWaalsContact CA-O 3.27Å; R44-N75 WeakPolarHBondContact CA-O 3.21Å; R44-D77 HydrophobicContact CB-CB 3.97Å; R44-D77 IonicContact CZ-OD1 3.98Å; R44-D77 VanDerWaalsContact CZ-OD1 3.23Å; R44-D77 IonicContact NH1-OD1 2.86Å; R44-D77 PolarHBondContact NH1-OD1 2.9Å; R44-D77 IonicContact NH2-OD1 3.14Å; R44-D77 PolarHBondContact NH2-OD1 2.93Å; R44-D77 IonicContact NH2-OD2 3.72Å
45	I	97.8	Very high	77	Confident	35 Å²	35	85.2 Å²	85.2	18%	0.179	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.1	176	-61.8	163.1	0	0	0	108.4	N75 V76 D77 D391 L392 F395	I45-N75 PolarHBondContact N-O 2.86Å; I45-V76 HydrophobicContact CD1-CG2 4.47Å; I45-D77 PolarHBondContact O-N 3.24Å; I45-D391 HydrophobicContact CG1-CB 4.4Å; I45-D391 HydrophobicContact CG2-CB 4.04Å; I45-L392 HydrophobicContact CG2-CB 4.2Å; I45-L392 HydrophobicContact CG2-CD1 4.49Å; I45-F395 HydrophobicContact CD1-CB 3.43Å; I45-F395 VanDerWaalsContact CD1-CB 3.43Å; I45-F395 HydrophobicContact CD1-CD2 4.28Å; I45-F395 HydrophobicContact CD1-CG 3.91Å
46	K	98.1	Very high	80	Confident	111 Å²	111	77.6 Å²	77.6	48%	0.483	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131	178.2	-58.7	-51.7	-166.4	176	0	110.4	D42 R44 D77 N389	D42-K46 IonicContact OD2-NZ 3.09Å; D42-K46 PolarHBondContact OD2-NZ 3.27Å; R44-K46 PolarHBondContact O-N 2.97Å; K46-D77 HydrophobicContact CD-CB 3.83Å; K46-D77 WeakPolarHBondContact CD-OD2 3.2Å; K46-D77 IonicContact NZ-OD2 2.75Å; K46-D77 PolarHBondContact NZ-OD2 3.05Å; K46-N389 PolarHBondContact O-ND2 3.09Å
47	V	98.3	Very high	83	Confident	18 Å²	18	69.8 Å²	69.8	11%	0.109	35%	0.346	C	S	.	.			trans	-114.7	126.4	176.4	-170.7	0	0	0	0	109.2	N49 V76 D77 V78 R383 L392	V47-N49 WeakPolarHBondContact CG1-O 3.5Å; V47-V76 HydrophobicContact CG2-CG1 3.43Å; V47-V76 VanDerWaalsContact CG2-CG1 3.43Å; V47-D77 PolarHBondContact N-O 3.47Å; V47-V78 HydrophobicContact CB-CB 4.01Å; V47-V78 HydrophobicContact CB-CG2 4.14Å; V47-V78 HydrophobicContact CG1-CG2 4.15Å; V47-V78 HydrophobicContact CG2-CB 3.92Å; V47-V78 HydrophobicContact CG2-CG2 4.39Å; V47-R383 HydrophobicContact CG1-CG 3.72Å; V47-L392 HydrophobicContact CG1-CD2 3.94Å; V47-L392 HydrophobicContact CG2-CD1 4.05Å; V47-L392 HydrophobicContact CG2-CD2 3.82Å; V47-L392 HydrophobicContact CG2-CG 4.49Å
48	A	97.4	Very high	86.1	Confident	88 Å²	88	62.3 Å²	62.3	73%	0.727	31%	0.312	S	S	*	.	S	Bend	trans	-77.3	-39.1	-171.2	0	0	0	0	0	112.5
49	N	98.4	Very high	89.1	Confident	74 Å²	74	53.4 Å²	53.4	40%	0.396	28%	0.278	S	S	.	.	S	Bend	trans	-111.3	151	-178.5	-70.3	-69.5	0	0	0	111.6	V47 R383 D387	V47-N49 WeakPolarHBondContact CG1-O 3.5Å; N49-R383 VanDerWaalsContact CB-CZ 3.49Å; N49-R383 WeakPolarHBondContact O-CD 3.5Å; N49-D387 PolarHBondContact N-OD2 2.82Å; N49-D387 PolarHBondContact ND2-OD1 3.25Å
50	P	98.6	Very high	91.9	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.084	24%	0.241	C	C	.	.			trans	-73.3	164.9	-177.2	30.6	-36.8	0	0	0	113	D79 K81 Y108	P50-D79 CarbonylContact C-O 3.52Å; P50-D79 WeakPolarHBondContact CA-O 3.41Å; P50-D79 HydrophobicContact CB-CB 4.05Å; P50-D79 WeakPolarHBondContact CB-O 3.48Å; P50-K81 HydrophobicContact CB-CD 4.49Å; P50-K81 HydrophobicContact CB-CG 3.97Å; P50-K81 HydrophobicContact CG-CG 4.41Å; P50-Y108 HydrophobicContact CG-CD1 3.29Å; P50-Y108 HydrophobicContact CG-CD2 4.49Å; P50-Y108 HydrophobicContact CG-CE1 3.66Å; P50-Y108 HydrophobicContact CG-CG 3.77Å
51	V	98.8	Very high	94.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.2	167.2	174.9	0	0	0	0	108.4	V78 D79 L80 K81 V110 V112 L380 R383	V51-V78 HydrophobicContact CB-CG2 4.29Å; V51-V78 HydrophobicContact CG2-CG2 4.04Å; V51-D79 PolarHBondContact N-O 2.76Å; V51-L80 HydrophobicContact CB-CD2 4.17Å; V51-L80 WeakPolarHBondContact O-CA 3.41Å; V51-K81 PolarHBondContact O-N 3.25Å; V51-V110 HydrophobicContact CG1-CG1 4.13Å; V51-V110 HydrophobicContact CG2-CB 4.45Å; V51-V110 HydrophobicContact CG2-CG1 4.29Å; V51-V112 HydrophobicContact CG1-CG1 4.13Å; V51-V112 HydrophobicContact CG1-CG2 4Å; V51-L380 HydrophobicContact CG2-CD2 4.28Å; V51-R383 HydrophobicContact CG2-CB 4.04Å; V51-R383 HydrophobicContact CG2-CG 3.89Å
52	V	98.9	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.5	172.2	178.9	0	0	0	0	108.4	M54 K81 Y83 A104 Y108 V110 A111 V112	V52-M54 HydrophobicContact CG1-CE 4.04Å; V52-M54 HydrophobicContact CG1-CG 4.27Å; V52-K81 WeakPolarHBondContact CA-O 3.4Å; V52-K81 HydrophobicContact CG2-CB 4.31Å; V52-Y83 HydrophobicContact CG1-CD2 3.76Å; V52-Y83 HydrophobicContact CG1-CE2 3.99Å; V52-A104 HydrophobicContact CG1-CB 4.47Å; V52-A104 HydrophobicContact CG2-CB 3.93Å; V52-Y108 HydrophobicContact CG2-CD2 3.9Å; V52-V110 PolarHBondContact N-O 3.33Å; V52-A111 HydrophobicContact CB-CB 4.01Å; V52-A111 HydrophobicContact CG1-CB 4.33Å; V52-A111 CarbonylContact O-C 3.53Å; V52-A111 VanDerWaalsContact O-CA 3.27Å; V52-A111 WeakPolarHBondContact O-CA 3.4Å; V52-V112 PolarHBondContact O-N 2.9Å
53	E	98.8	Very high	97.8	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.6	175.3	-178.5	-168.3	175.9	0	0	108.5	W64 K68 L80 K81 Y82 Y83 V112 W376	E53-W64 HydrophobicContact CG-CZ2 4.42Å; E53-W64 PolarHBondContact OE1-NE1 3.45Å; E53-W64 VanDerWaalsContact OE1-NE1 3.16Å; E53-K68 VanDerWaalsContact CD-NZ 3.27Å; E53-K68 WeakPolarHBondContact OE1-CD 3.32Å; E53-K68 IonicContact OE1-NZ 2.99Å; E53-K68 PolarHBondContact OE1-NZ 3.3Å; E53-K68 WeakPolarHBondContact OE2-CE 3.18Å; E53-K68 IonicContact OE2-NZ 3.03Å; E53-K68 PolarHBondContact OE2-NZ 3.4Å; E53-L80 HydrophobicContact CB-CB 4.5Å; E53-L80 WeakPolarHBondContact OE2-CD1 3.47Å; E53-K81 PolarHBondContact N-O 3.38Å; E53-Y82 HydrophobicContact CG-CD2 4.31Å; E53-Y82 CarbonylContact O-C 3.53Å; E53-Y82 WeakPolarHBondContact OE2-CD2 3.36Å; E53-Y83 PolarHBondContact O-N 3.09Å; E53-V112 HydrophobicContact CB-CG2 4.44Å; E53-W376 HydrophobicContact CG-CH2 4.08Å; E53-W376 HydrophobicContact CG-CZ2 4.08Å
54	M	98.8	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104.1	174.5	-64.3	172.1	-168.3	0	0	108.8	V52 Y83 L85 S101 T105 A111 V112 K113 C114 I140	V52-M54 HydrophobicContact CG1-CE 4.04Å; V52-M54 HydrophobicContact CG1-CG 4.27Å; M54-Y83 WeakPolarHBondContact CA-O 3.38Å; M54-L85 HydrophobicContact CB-CD1 3.75Å; M54-L85 HydrophobicContact CB-CG 4.03Å; M54-L85 HydrophobicContact CG-CD1 3.87Å; M54-L85 HydrophobicContact CG-CG 4.34Å; M54-L85 HydrophobicContact SD-CD1 3.86Å; M54-S101 WeakPolarHBondContact CE-O 3.35Å; M54-S101 WeakPolarHBondContact CE-OG 3.36Å; M54-T105 WeakPolarHBondContact CE-OG1 3.4Å; M54-A111 HydrophobicContact CE-CB 3.8Å; M54-V112 PolarHBondContact N-O 3.36Å; M54-K113 HydrophobicContact CB-CB 3.98Å; M54-K113 HydrophobicContact CB-CG 3.85Å; M54-K113 HydrophobicContact SD-CB 4.1Å; M54-K113 HydrophobicContact SD-CD 3.87Å; M54-K113 HydrophobicContact SD-CG 4.09Å; M54-C114 WeakPolarHBondContact O-CB 3.08Å; M54-C114 PolarHBondContact O-N 2.88Å; M54-I140 HydrophobicContact CE-CD1 4.24Å; M54-I140 HydrophobicContact SD-CD1 3.61Å
55	D	98.7	Very high	98.4	Very high	15 Å²	15	31 Å²	31	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	167	176.1	-158.9	4.8	0	0	0	111.1	R61 Y82 Y83 L85	D55-R61 IonicContact OD2-CZ 3.2Å; D55-R61 IonicContact OD2-NE 2.61Å; D55-R61 PolarHBondContact OD2-NE 3.36Å; D55-R61 IonicContact OD2-NH1 2.84Å; D55-R61 PolarHBondContact OD2-NH1 3.2Å; D55-R61 IonicContact OD2-NH2 2.94Å; D55-R61 PolarHBondContact OD2-NH2 3.29Å; D55-Y82 HydrophobicContact CB-CE2 3.74Å; D55-Y82 PolarHBondContact OD2-OH 2.97Å; D55-Y82 VanDerWaalsContact OD2-OH 3.13Å; D55-Y83 PolarHBondContact N-O 2.91Å; D55-L85 WeakPolarHBondContact O-CA 3.43Å; D55-L85 VanDerWaalsContact O-CB 3.25Å; D55-L85 WeakPolarHBondContact O-CB 3.44Å; D55-L85 PolarHBondContact O-N 2.77Å; D55-L85 VanDerWaalsContact O-N 3.11Å
56	G	98.3	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.			trans	-140.9	-148.6	-169	0	0	0	0	0	113.9	R61 A115	G56-R61 VanDerWaalsContact O-CD 3.27Å; G56-R61 WeakPolarHBondContact O-CD 3.32Å; G56-R61 WeakPolarHBondContact O-CG 3.41Å; G56-R61 PolarHBondContact O-NH1 3.37Å; G56-A115 VanDerWaalsContact CA-O 3.3Å; G56-A115 WeakPolarHBondContact CA-O 3.46Å
57	D	98.6	Very high	98.5	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.043	14%	0.138	C	C	.	.			trans	-124.6	164	-167.8	-65.9	-65.3	0	0	0	113.3	T60 R61 G86 L87 R90 A115 T116 I117 T351	D57-T60 PolarHBondContact O-N 2.76Å; D57-T60 PolarHBondContact O-OG1 3.06Å; D57-R61 PolarHBondContact O-N 3.47Å; D57-G86 VanDerWaalsContact OD1-CA 3.24Å; D57-G86 WeakPolarHBondContact OD1-CA 3.26Å; D57-L87 PolarHBondContact OD1-N 3.29Å; D57-L87 PolarHBondContact OD2-N 2.86Å; D57-R90 IonicContact OD2-NH2 3.58Å; D57-A115 PolarHBondContact N-O 2.64Å; D57-T116 WeakPolarHBondContact OD2-CA 3.22Å; D57-I117 HydrophobicContact CB-CD1 3.9Å; D57-I117 HydrophobicContact CB-CG1 3.75Å; D57-I117 PolarHBondContact OD2-N 2.58Å; D57-T351 HydrophobicContact CB-CG2 3.94Å
58	E	98.4	Very high	98.5	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	50.9	-133.9	166.6	-56	-176.4	143.6	0	0	115.1	T60 R61 I62 I117 R123 T351 T353 Y356	E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 3.36Å; E58-R61 PolarHBondContact O-N 2.94Å; E58-I62 PolarHBondContact O-N 2.79Å; E58-I117 HydrophobicContact CG-CD1 3.95Å; E58-I117 HydrophobicContact CG-CG1 4.43Å; E58-R123 IonicContact OE1-CZ 2.75Å; E58-R123 VanDerWaalsContact OE1-CZ 3.31Å; E58-R123 IonicContact OE1-NH1 2.72Å; E58-R123 PolarHBondContact OE1-NH1 2.78Å; E58-R123 IonicContact OE1-NH2 2.77Å; E58-R123 PolarHBondContact OE1-NH2 3.46Å; E58-R123 IonicContact OE2-NH2 3.79Å; E58-T351 VanDerWaalsContact OE2-CB 3.23Å; E58-T351 WeakPolarHBondContact OE2-CB 3.43Å; E58-T351 PolarHBondContact OE2-OG1 2.85Å; E58-T353 WeakPolarHBondContact OE1-CG2 3.21Å; E58-T353 PolarHBondContact OE1-OG1 3.22Å; E58-T353 WeakPolarHBondContact OE2-CA 3.16Å; E58-T353 VanDerWaalsContact OE2-CB 3.3Å; E58-T353 WeakPolarHBondContact OE2-CB 3.29Å; E58-T353 PolarHBondContact OE2-N 3.2Å; E58-T353 PolarHBondContact OE2-OG1 3.06Å; E58-Y356 VanDerWaalsContact C-CD2 3.42Å; E58-Y356 HydrophobicContact CB-CD1 3.75Å; E58-Y356 HydrophobicContact CB-CD2 3.88Å; E58-Y356 HydrophobicContact CB-CE1 4.3Å; E58-Y356 HydrophobicContact CB-CE2 4.42Å; E58-Y356 HydrophobicContact CB-CG 3.52Å; E58-Y356 HydrophobicContact CG-CD1 3.65Å; E58-Y356 HydrophobicContact CG-CE1 4.05Å; E58-Y356 HydrophobicContact CG-CG 3.98Å
59	M	98.4	Very high	98.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-35	-176.7	-80.5	-51.6	-64.8	0	0	112.3	R61 I62 I63 T351 V352 H355 Y356 H359 T365	M59-R61 VanDerWaalsContact C-N 3.31Å; M59-I62 PolarHBondContact O-N 3.13Å; M59-I62 HydrophobicContact SD-CD1 4.08Å; M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 2.84Å; M59-I63 VanDerWaalsContact O-N 3.08Å; M59-T351 PolarHBondContact N-O 3.24Å; M59-V352 HydrophobicContact CB-CB 4.2Å; M59-H355 HydrophobicContact CG-CB 3.68Å; M59-H355 HydrophobicContact SD-CB 4.45Å; M59-Y356 HydrophobicContact CG-CD2 4.43Å; M59-Y356 HydrophobicContact SD-CD2 4.21Å; M59-H359 HydrophobicContact SD-CB 3.6Å; M59-H359 VanDerWaalsContact SD-CB 3.6Å; M59-T365 HydrophobicContact CE-CG2 4.22Å; M59-T365 WeakPolarHBondContact CE-OG1 3.4Å; M59-T365 HydrophobicContact SD-CG2 4.34Å
60	T	97.8	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66	-36.6	-179.6	38.2	0	0	0	0	111.3	D57 E58 I62 I63 W64 C114 A115 T351 V352	D57-T60 PolarHBondContact O-N 2.76Å; D57-T60 PolarHBondContact O-OG1 3.06Å; E58-T60 VanDerWaalsContact C-N 3.27Å; E58-T60 PolarHBondContact O-N 3.36Å; T60-I62 PolarHBondContact O-N 2.85Å; T60-I63 PolarHBondContact O-N 3.24Å; T60-W64 WeakPolarHBondContact O-CB 3.2Å; T60-W64 PolarHBondContact O-N 3.37Å; T60-C114 VanDerWaalsContact C-SG 3.51Å; T60-A115 HydrophobicContact CG2-CB 3.92Å; T60-T351 WeakPolarHBondContact OG1-CA 3.44Å; T60-V352 HydrophobicContact CG2-CG2 4.42Å
61	R	98.5	Very high	98.5	Very high	79 Å²	79	27.1 Å²	27.1	30%	0.298	12%	0.123	S	C	.	.	H	α-helix	trans	-59.6	-43.9	173.3	-166.7	-177.3	-173.7	104.1	2	112.5	D55 G56 D57 E58 M59 W64 E65 Y82 D84	D55-R61 IonicContact OD2-CZ 3.2Å; D55-R61 IonicContact OD2-NE 2.61Å; D55-R61 PolarHBondContact OD2-NE 3.36Å; D55-R61 IonicContact OD2-NH1 2.84Å; D55-R61 PolarHBondContact OD2-NH1 3.2Å; D55-R61 IonicContact OD2-NH2 2.94Å; D55-R61 PolarHBondContact OD2-NH2 3.29Å; G56-R61 VanDerWaalsContact O-CD 3.27Å; G56-R61 WeakPolarHBondContact O-CD 3.32Å; G56-R61 WeakPolarHBondContact O-CG 3.41Å; G56-R61 PolarHBondContact O-NH1 3.37Å; D57-R61 PolarHBondContact O-N 3.47Å; E58-R61 PolarHBondContact O-N 2.94Å; M59-R61 VanDerWaalsContact C-N 3.31Å; R61-W64 WeakPolarHBondContact O-CB 3.4Å; R61-W64 PolarHBondContact O-N 2.87Å; R61-E65 PolarHBondContact O-N 3.15Å; R61-E65 VanDerWaalsContact O-N 3.1Å; R61-Y82 PolarHBondContact NH2-OH 3.46Å; R61-D84 IonicContact CZ-OD1 3.57Å; R61-D84 IonicContact CZ-OD2 2.82Å; R61-D84 IonicContact NH1-OD1 3.45Å; R61-D84 PolarHBondContact NH1-OD1 3.24Å; R61-D84 IonicContact NH1-OD2 3.63Å; R61-D84 PolarHBondContact NH1-OD2 3.04Å; R61-D84 IonicContact NH2-OD1 2.76Å; R61-D84 IonicContact NH2-OD2 3.43Å; R61-D84 PolarHBondContact NH2-OD2 3.5Å
62	I	98.3	Very high	98.5	Very high	63 Å²	63	27.1 Å²	27.1	32%	0.323	12%	0.123	S	C	.	.	H	α-helix	trans	-62.7	-45.5	178.1	-62.8	162	0	0	0	111.1	E58 M59 T60 W64 F66 Y356 H359	E58-I62 PolarHBondContact O-N 2.79Å; M59-I62 PolarHBondContact O-N 3.13Å; M59-I62 HydrophobicContact SD-CD1 4.08Å; T60-I62 PolarHBondContact O-N 2.85Å; I62-W64 VanDerWaalsContact C-N 3.34Å; I62-F66 PolarHBondContact O-N 3.28Å; I62-Y356 HydrophobicContact CD1-CD2 4.08Å; I62-Y356 HydrophobicContact CD1-CE2 3.96Å; I62-H359 WeakPolarHBondContact CD1-CD2 3.03Å; I62-H359 VanDerWaalsContact CD1-NE2 3.33Å; I62-H359 WeakPolarHBondContact CD1-NE2 3.46Å
63	I	98.6	Very high	98.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-66	-39.7	177.6	-69.4	167.6	0	0	0	110.7	M59 T60 E65 F66 I67 T367 P369 T435 L439	M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 2.84Å; M59-I63 VanDerWaalsContact O-N 3.08Å; T60-I63 PolarHBondContact O-N 3.24Å; I63-E65 PolarHBondContact O-N 3.37Å; I63-F66 PolarHBondContact O-N 3.19Å; I63-I67 HydrophobicContact CG2-CD1 3.61Å; I63-I67 HydrophobicContact CG2-CG1 4.22Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.35Å; I63-I67 PolarHBondContact O-N 2.92Å; I63-T367 HydrophobicContact CD1-CG2 3.53Å; I63-P369 HydrophobicContact CG2-CB 3.48Å; I63-P369 VanDerWaalsContact CG2-CB 3.48Å; I63-T435 HydrophobicContact CD1-CG2 3.96Å; I63-T435 HydrophobicContact CG1-CG2 3.87Å; I63-L439 HydrophobicContact CG1-CD1 4.42Å
64	W	98.7	Very high	98.3	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-44.4	-178.7	-165.9	-104.9	0	0	0	112.1	E53 T60 R61 I62 F66 I67 K68 V112 C114 A375 W376	E53-W64 HydrophobicContact CG-CZ2 4.42Å; E53-W64 PolarHBondContact OE1-NE1 3.45Å; E53-W64 VanDerWaalsContact OE1-NE1 3.16Å; T60-W64 WeakPolarHBondContact O-CB 3.2Å; T60-W64 PolarHBondContact O-N 3.37Å; R61-W64 WeakPolarHBondContact O-CB 3.4Å; R61-W64 PolarHBondContact O-N 2.87Å; I62-W64 VanDerWaalsContact C-N 3.34Å; W64-F66 PolarHBondContact O-N 2.65Å; W64-I67 PolarHBondContact O-N 3.39Å; W64-K68 WeakPolarHBondContact O-CB 3.48Å; W64-K68 PolarHBondContact O-N 2.87Å; W64-V112 HydrophobicContact CH2-CB 4.01Å; W64-V112 HydrophobicContact CH2-CG2 4.29Å; W64-V112 HydrophobicContact CZ2-CB 4.15Å; W64-V112 HydrophobicContact CZ2-CG2 3.94Å; W64-C114 HydrophobicContact CB-CB 4.45Å; W64-C114 HydrophobicContact CD2-CB 3.73Å; W64-C114 HydrophobicContact CE3-CB 3.98Å; W64-C114 HydrophobicContact CG-CB 3.96Å; W64-C114 HydrophobicContact CZ2-CB 4.46Å; W64-C114 HydrophobicContact CZ3-CB 4.45Å; W64-A375 HydrophobicContact CH2-CB 4.39Å; W64-A375 HydrophobicContact CZ3-CB 4.27Å; W64-W376 AromaticContact CD2-NE1 3.41Å; W64-W376 AromaticContact CE2-CE2 3.7Å; W64-W376 AromaticContact CE2-CZ2 3.72Å; W64-W376 AromaticContact CE2-NE1 3.24Å; W64-W376 AromaticContact CE3-CD1 3.85Å; W64-W376 AromaticContact CE3-NE1 3.43Å; W64-W376 AromaticContact CH2-CD1 3.47Å; W64-W376 VanDerWaalsContact CH2-CD1 3.47Å; W64-W376 HydrophobicContact CH2-CD2 4.47Å; W64-W376 AromaticContact CH2-CE2 3.86Å; W64-W376 HydrophobicContact CH2-CG 4.27Å; W64-W376 AromaticContact CH2-NE1 3.19Å; W64-W376 AromaticContact CZ2-CD1 3.92Å; W64-W376 HydrophobicContact CZ2-CD2 4.4Å; W64-W376 AromaticContact CZ2-CE2 3.48Å; W64-W376 VanDerWaalsContact CZ2-CE2 3.48Å; W64-W376 AromaticContact CZ2-CZ2 3.7Å; W64-W376 HydrophobicContact CZ2-CZ2 3.7Å; W64-W376 AromaticContact CZ2-NE1 3.14Å; W64-W376 AromaticContact CZ3-CD1 3.42Å; W64-W376 VanDerWaalsContact CZ3-CD1 3.42Å; W64-W376 AromaticContact CZ3-NE1 3.32Å; W64-W376 VanDerWaalsContact CZ3-NE1 3.32Å; W64-W376 AromaticContact NE1-CZ2 3.73Å; W64-W376 AromaticContact NE1-NE1 3.99Å
65	E	98.6	Very high	98.3	Very high	131 Å²	131	32 Å²	32	61%	0.612	15%	0.151	S	C	*	.	H	α-helix	trans	-58.3	-46.8	174.4	-174.1	-179.1	179.9	0	0	111.4	R61 I63 I67 K68 E69	R61-E65 PolarHBondContact O-N 3.15Å; R61-E65 VanDerWaalsContact O-N 3.1Å; I63-E65 PolarHBondContact O-N 3.37Å; E65-I67 PolarHBondContact O-N 3.5Å; E65-K68 PolarHBondContact O-N 3.3Å; E65-E69 HydrophobicContact CG-CG 4.25Å; E65-E69 WeakPolarHBondContact O-CB 3.41Å; E65-E69 WeakPolarHBondContact O-CG 3.37Å; E65-E69 PolarHBondContact O-N 3.46Å
66	F	98.7	Very high	98.3	Very high	36 Å²	36	31.3 Å²	31.3	16%	0.158	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-47.6	176.9	-174.2	-75	0	0	0	111.6	I62 I63 W64 K68 E69 K70 L71 L439 D440 K443	I62-F66 PolarHBondContact O-N 3.28Å; I63-F66 PolarHBondContact O-N 3.19Å; W64-F66 PolarHBondContact O-N 2.65Å; F66-K68 PolarHBondContact O-N 3.38Å; F66-E69 PolarHBondContact O-N 2.91Å; F66-K70 HydrophobicContact CD1-CB 4.01Å; F66-K70 HydrophobicContact CD1-CG 4.25Å; F66-K70 HydrophobicContact CD2-CG 4.03Å; F66-K70 HydrophobicContact CE1-CB 3.76Å; F66-K70 HydrophobicContact CE1-CG 4.19Å; F66-K70 HydrophobicContact CE2-CB 4.43Å; F66-K70 HydrophobicContact CE2-CG 4Å; F66-K70 HydrophobicContact CG-CB 4.42Å; F66-K70 HydrophobicContact CG-CG 4.16Å; F66-K70 HydrophobicContact CZ-CB 4Å; F66-K70 HydrophobicContact CZ-CG 4.07Å; F66-K70 WeakPolarHBondContact O-CA 3.47Å; F66-K70 VanDerWaalsContact O-CB 3.24Å; F66-K70 WeakPolarHBondContact O-CB 3.36Å; F66-K70 PolarHBondContact O-N 2.94Å; F66-L71 HydrophobicContact CD1-CG 4.42Å; F66-L71 HydrophobicContact CE1-CD2 4.19Å; F66-L71 HydrophobicContact CE1-CG 4.22Å; F66-L439 HydrophobicContact CB-CD1 4.05Å; F66-L439 HydrophobicContact CD1-CB 3.85Å; F66-L439 HydrophobicContact CD1-CD1 4.05Å; F66-L439 HydrophobicContact CD1-CD2 3.78Å; F66-L439 HydrophobicContact CD1-CG 4.11Å; F66-L439 HydrophobicContact CD2-CB 4.35Å; F66-L439 HydrophobicContact CD2-CD1 4.32Å; F66-L439 HydrophobicContact CE1-CB 3.61Å; F66-L439 HydrophobicContact CE1-CD2 4.14Å; F66-L439 HydrophobicContact CE1-CG 4.34Å; F66-L439 HydrophobicContact CE2-CB 4.1Å; F66-L439 HydrophobicContact CG-CB 4.23Å; F66-L439 HydrophobicContact CG-CD1 3.88Å; F66-L439 HydrophobicContact CG-CD2 4.44Å; F66-L439 HydrophobicContact CG-CG 4.43Å; F66-L439 HydrophobicContact CZ-CB 3.73Å; F66-D440 WeakPolarHBondContact CE2-OD1 3.32Å; F66-D440 WeakPolarHBondContact CZ-OD1 3.24Å; F66-K443 HydrophobicContact CE1-CB 4.45Å; F66-K443 HydrophobicContact CZ-CB 4.36Å
67	I	98.7	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-57.9	-51.9	-179.1	-66	165.4	0	0	0	109.5	I63 W64 E65 L71 I72 I373 W376 L439	I63-I67 HydrophobicContact CG2-CD1 3.61Å; I63-I67 HydrophobicContact CG2-CG1 4.22Å; I63-I67 VanDerWaalsContact O-CG1 3.3Å; I63-I67 WeakPolarHBondContact O-CG1 3.35Å; I63-I67 PolarHBondContact O-N 2.92Å; W64-I67 PolarHBondContact O-N 3.39Å; E65-I67 PolarHBondContact O-N 3.5Å; I67-L71 HydrophobicContact CB-CD1 4.5Å; I67-L71 HydrophobicContact CG1-CD1 4.27Å; I67-L71 HydrophobicContact CG2-CD1 4.4Å; I67-L71 CarbonylContact O-C 3.58Å; I67-L71 WeakPolarHBondContact O-CA 3.46Å; I67-L71 VanDerWaalsContact O-CB 3.27Å; I67-L71 WeakPolarHBondContact O-CB 3.46Å; I67-L71 PolarHBondContact O-N 3.43Å; I67-I72 HydrophobicContact CG2-CD1 4.43Å; I67-I72 HydrophobicContact CG2-CG1 4Å; I67-I72 PolarHBondContact O-N 3.21Å; I67-I373 HydrophobicContact CD1-CB 4.5Å; I67-I373 HydrophobicContact CD1-CG1 3.62Å; I67-I373 HydrophobicContact CG1-CG1 3.75Å; I67-I373 HydrophobicContact CG2-CG1 4.41Å; I67-W376 HydrophobicContact CG2-CB 4.42Å; I67-W376 VanDerWaalsContact CG2-CD1 3.44Å; I67-W376 HydrophobicContact CG2-CG 3.91Å; I67-L439 HydrophobicContact CG1-CD2 4.47Å
68	K	98.5	Very high	98.2	Very high	35 Å²	35	34.1 Å²	34.1	15%	0.152	16%	0.163	C	C	.	.	I	π-helix	trans	-56.4	-56.8	178.7	179.1	-174.2	-172.9	160.1	0	111.8	E53 W64 E65 F66 I72 L73 W376	E53-K68 VanDerWaalsContact CD-NZ 3.27Å; E53-K68 WeakPolarHBondContact OE1-CD 3.32Å; E53-K68 IonicContact OE1-NZ 2.99Å; E53-K68 PolarHBondContact OE1-NZ 3.3Å; E53-K68 WeakPolarHBondContact OE2-CE 3.18Å; E53-K68 IonicContact OE2-NZ 3.03Å; E53-K68 PolarHBondContact OE2-NZ 3.4Å; W64-K68 WeakPolarHBondContact O-CB 3.48Å; W64-K68 PolarHBondContact O-N 2.87Å; E65-K68 PolarHBondContact O-N 3.3Å; F66-K68 PolarHBondContact O-N 3.38Å; K68-I72 PolarHBondContact O-N 3.45Å; K68-L73 HydrophobicContact CD-CD1 4.37Å; K68-L73 HydrophobicContact CG-CD1 3.76Å; K68-L73 HydrophobicContact CG-CG 4.05Å; K68-L73 WeakPolarHBondContact O-CB 3.31Å; K68-L73 WeakPolarHBondContact O-CG 3.35Å; K68-L73 PolarHBondContact O-N 2.92Å; K68-W376 HydrophobicContact CB-CZ2 4.07Å; K68-W376 HydrophobicContact CG-CH2 4.37Å; K68-W376 HydrophobicContact CG-CZ2 4.32Å
69	E	98.2	Very high	98.2	Very high	87 Å²	87	37.7 Å²	37.7	41%	0.407	18%	0.182	S	C	.	.	I	π-helix	trans	-77	-30.2	-169.1	-67.3	-58.8	140.2	0	0	113.5	E65 F66 T74	E65-E69 HydrophobicContact CG-CG 4.25Å; E65-E69 WeakPolarHBondContact O-CB 3.41Å; E65-E69 WeakPolarHBondContact O-CG 3.37Å; E65-E69 PolarHBondContact O-N 3.46Å; F66-E69 PolarHBondContact O-N 2.91Å; E69-T74 VanDerWaalsContact O-CG2 3.3Å; E69-T74 WeakPolarHBondContact O-CG2 3.37Å
70	K	98.1	Very high	98.2	Very high	100 Å²	100	39 Å²	39	44%	0.435	19%	0.189	S	C	.	.	I	π-helix	trans	-108.1	-30.4	-172.3	-55.1	-58	-177.8	-171.6	0	113.7	F66 T74 K443	F66-K70 HydrophobicContact CD1-CB 4.01Å; F66-K70 HydrophobicContact CD1-CG 4.25Å; F66-K70 HydrophobicContact CD2-CG 4.03Å; F66-K70 HydrophobicContact CE1-CB 3.76Å; F66-K70 HydrophobicContact CE1-CG 4.19Å; F66-K70 HydrophobicContact CE2-CB 4.43Å; F66-K70 HydrophobicContact CE2-CG 4Å; F66-K70 HydrophobicContact CG-CB 4.42Å; F66-K70 HydrophobicContact CG-CG 4.16Å; F66-K70 HydrophobicContact CZ-CB 4Å; F66-K70 HydrophobicContact CZ-CG 4.07Å; F66-K70 WeakPolarHBondContact O-CA 3.47Å; F66-K70 VanDerWaalsContact O-CB 3.24Å; F66-K70 WeakPolarHBondContact O-CB 3.36Å; F66-K70 PolarHBondContact O-N 2.94Å; K70-T74 PolarHBondContact O-OG1 3.17Å; K70-K443 HydrophobicContact CB-CD 4.18Å
71	L	98.3	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-104.3	-40.4	-177.1	-50.5	-179.1	0	0	0	112.2	F66 I67 N75 I373 F395 L399 I442 K443 L446	F66-L71 HydrophobicContact CD1-CG 4.42Å; F66-L71 HydrophobicContact CE1-CD2 4.19Å; F66-L71 HydrophobicContact CE1-CG 4.22Å; I67-L71 HydrophobicContact CB-CD1 4.5Å; I67-L71 HydrophobicContact CG1-CD1 4.27Å; I67-L71 HydrophobicContact CG2-CD1 4.4Å; I67-L71 CarbonylContact O-C 3.58Å; I67-L71 WeakPolarHBondContact O-CA 3.46Å; I67-L71 VanDerWaalsContact O-CB 3.27Å; I67-L71 WeakPolarHBondContact O-CB 3.46Å; I67-L71 PolarHBondContact O-N 3.43Å; L71-N75 PolarHBondContact O-ND2 3.19Å; L71-I373 HydrophobicContact CD1-CD1 4.08Å; L71-I373 HydrophobicContact CD1-CG1 4.19Å; L71-F395 WeakPolarHBondContact O-CZ 3.42Å; L71-L399 HydrophobicContact CB-CD2 4.43Å; L71-I442 HydrophobicContact CD1-CG2 4.03Å; L71-I442 HydrophobicContact CD2-CG2 4.32Å; L71-K443 HydrophobicContact CD2-CB 3.74Å; L71-K443 HydrophobicContact CD2-CG 4.04Å; L71-L446 HydrophobicContact CB-CD2 4.32Å; L71-L446 HydrophobicContact CD2-CD2 4.16Å
72	I	98.5	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-91.5	-65.9	-173.8	-52.8	-55.1	0	0	0	112	I67 K68 T74 N75 V76 W376 L380 F395 L399	I67-I72 HydrophobicContact CG2-CD1 4.43Å; I67-I72 HydrophobicContact CG2-CG1 4Å; I67-I72 PolarHBondContact O-N 3.21Å; K68-I72 PolarHBondContact O-N 3.45Å; I72-T74 PolarHBondContact O-N 3.05Å; I72-T74 VanDerWaalsContact O-N 3.17Å; I72-N75 CarbonylContact O-C 3.6Å; I72-N75 PolarHBondContact O-N 3.29Å; I72-V76 HydrophobicContact CG2-CB 4.4Å; I72-V76 PolarHBondContact O-N 3.11Å; I72-W376 HydrophobicContact CB-CE3 4.46Å; I72-W376 HydrophobicContact CD1-CB 4.1Å; I72-W376 HydrophobicContact CD1-CE3 4.48Å; I72-W376 HydrophobicContact CD1-CG 4.41Å; I72-W376 HydrophobicContact CG1-CB 4.39Å; I72-W376 HydrophobicContact CG1-CD2 3.93Å; I72-W376 HydrophobicContact CG1-CE3 3.89Å; I72-W376 HydrophobicContact CG1-CG 4.17Å; I72-W376 HydrophobicContact CG2-CE3 4.05Å; I72-W376 HydrophobicContact CG2-CZ3 4.08Å; I72-L380 HydrophobicContact CD1-CD1 4.02Å; I72-L380 HydrophobicContact CG2-CD1 3.97Å; I72-F395 HydrophobicContact CD1-CE1 4.13Å; I72-F395 HydrophobicContact CD1-CZ 4.3Å; I72-L399 HydrophobicContact CD1-CD2 3.96Å
73	L	98	Very high	98.3	Very high	44 Å²	44	42.5 Å²	42.5	23%	0.23	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.1	-169.4	-65.3	-176.5	0	0	0	114.3	R44 K68 N75 V78 L80	R44-L73 WeakPolarHBondContact CD-O 3.39Å; K68-L73 HydrophobicContact CD-CD1 4.37Å; K68-L73 HydrophobicContact CG-CD1 3.76Å; K68-L73 HydrophobicContact CG-CG 4.05Å; K68-L73 WeakPolarHBondContact O-CB 3.31Å; K68-L73 WeakPolarHBondContact O-CG 3.35Å; K68-L73 PolarHBondContact O-N 2.92Å; L73-N75 VanDerWaalsContact C-N 3.27Å; L73-V78 HydrophobicContact CD2-CG1 4.26Å; L73-L80 HydrophobicContact CD2-CD1 4.01Å
74	T	96.7	Very high	98.3	Very high	55 Å²	55	43.8 Å²	43.8	34%	0.337	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.6	171.1	51.2	0	0	0	0	113.3	E69 K70 I72 K452	E69-T74 VanDerWaalsContact O-CG2 3.3Å; E69-T74 WeakPolarHBondContact O-CG2 3.37Å; K70-T74 PolarHBondContact O-OG1 3.17Å; I72-T74 PolarHBondContact O-N 3.05Å; I72-T74 VanDerWaalsContact O-N 3.17Å; T74-K452 PolarHBondContact O-NZ 3.36Å
75	N	97.8	Very high	98.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-25	-173.6	-65.5	-60.6	0	0	0	113.1	R44 I45 L71 I72 L73 F395 L450 K452	R44-N75 CarbonylContact C-O 3.56Å; R44-N75 VanDerWaalsContact CA-O 3.27Å; R44-N75 WeakPolarHBondContact CA-O 3.21Å; I45-N75 PolarHBondContact N-O 2.86Å; L71-N75 PolarHBondContact O-ND2 3.19Å; I72-N75 CarbonylContact O-C 3.6Å; I72-N75 PolarHBondContact O-N 3.29Å; L73-N75 VanDerWaalsContact C-N 3.27Å; N75-F395 HydrophobicContact CB-CD2 4.11Å; N75-F395 HydrophobicContact CB-CE2 3.41Å; N75-F395 VanDerWaalsContact CB-CE2 3.41Å; N75-F395 HydrophobicContact CB-CZ 3.83Å; N75-L450 HydrophobicContact CB-CD1 4.44Å; N75-L450 VanDerWaalsContact OD1-CD1 3.23Å; N75-L450 WeakPolarHBondContact OD1-CD1 3.38Å; N75-K452 WeakPolarHBondContact OD1-CE 3.36Å; N75-K452 PolarHBondContact OD1-NZ 2.96Å
76	V	98.3	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.4	-172.6	-173.7	0	0	0	0	109.7	I45 V47 I72 V78 L392 F395	I45-V76 HydrophobicContact CD1-CG2 4.47Å; V47-V76 HydrophobicContact CG2-CG1 3.43Å; V47-V76 VanDerWaalsContact CG2-CG1 3.43Å; I72-V76 HydrophobicContact CG2-CB 4.4Å; I72-V76 PolarHBondContact O-N 3.11Å; V76-V78 HydrophobicContact CG1-CB 4.01Å; V76-V78 HydrophobicContact CG1-CG1 4.04Å; V76-L392 HydrophobicContact CG1-CD1 3.77Å; V76-L392 HydrophobicContact CG2-CD1 4.15Å; V76-F395 HydrophobicContact CG2-CD1 3.59Å; V76-F395 HydrophobicContact CG2-CE1 3.48Å; V76-F395 VanDerWaalsContact CG2-CE1 3.48Å; V76-F395 HydrophobicContact CG2-CE2 4.44Å; V76-F395 HydrophobicContact CG2-CG 4.13Å; V76-F395 HydrophobicContact CG2-CZ 3.94Å
77	D	98.1	Very high	98.3	Very high	54 Å²	54	35.9 Å²	35.9	29%	0.289	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	86.9	173	-168.6	38.9	0	0	0	108.4	R44 I45 K46 V47	R44-D77 HydrophobicContact CB-CB 3.97Å; R44-D77 IonicContact CZ-OD1 3.98Å; R44-D77 VanDerWaalsContact CZ-OD1 3.23Å; R44-D77 IonicContact NH1-OD1 2.86Å; R44-D77 PolarHBondContact NH1-OD1 2.9Å; R44-D77 IonicContact NH2-OD1 3.14Å; R44-D77 PolarHBondContact NH2-OD1 2.93Å; R44-D77 IonicContact NH2-OD2 3.72Å; I45-D77 PolarHBondContact O-N 3.24Å; K46-D77 HydrophobicContact CD-CB 3.83Å; K46-D77 WeakPolarHBondContact CD-OD2 3.2Å; K46-D77 IonicContact NZ-OD2 2.75Å; K46-D77 PolarHBondContact NZ-OD2 3.05Å; V47-D77 PolarHBondContact N-O 3.47Å
78	V	97.9	Very high	98.3	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	20%	0.196	C	C	.	.			trans	-118.1	135.4	-177.9	56.8	0	0	0	0	110.4	V47 V51 L73 V76 L80	V47-V78 HydrophobicContact CB-CB 4.01Å; V47-V78 HydrophobicContact CB-CG2 4.14Å; V47-V78 HydrophobicContact CG1-CG2 4.15Å; V47-V78 HydrophobicContact CG2-CB 3.92Å; V47-V78 HydrophobicContact CG2-CG2 4.39Å; V51-V78 HydrophobicContact CB-CG2 4.29Å; V51-V78 HydrophobicContact CG2-CG2 4.04Å; L73-V78 HydrophobicContact CD2-CG1 4.26Å; V76-V78 HydrophobicContact CG1-CB 4.01Å; V76-V78 HydrophobicContact CG1-CG1 4.04Å; V78-L80 HydrophobicContact CG1-CD2 3.93Å; V78-L80 HydrophobicContact CG1-CG 4.17Å; V78-L80 HydrophobicContact CG2-CD2 4.2Å; V78-L80 PolarHBondContact O-N 3.12Å
79	D	98.4	Very high	98.3	Very high	83 Å²	83	42.6 Å²	42.6	44%	0.444	21%	0.207	S	C	.	.			trans	-75	113.1	170.7	176.7	13.9	0	0	0	109.4	P50 V51 K81	P50-D79 CarbonylContact C-O 3.52Å; P50-D79 WeakPolarHBondContact CA-O 3.41Å; P50-D79 HydrophobicContact CB-CB 4.05Å; P50-D79 WeakPolarHBondContact CB-O 3.48Å; V51-D79 PolarHBondContact N-O 2.76Å; D79-K81 IonicContact OD1-NZ 2.77Å; D79-K81 PolarHBondContact OD1-NZ 3.41Å; D79-K81 VanDerWaalsContact OD2-CE 3.3Å; D79-K81 WeakPolarHBondContact OD2-CE 3.42Å; D79-K81 IonicContact OD2-NZ 3.75Å; D79-K81 PolarHBondContact OD2-NZ 3.17Å
80	L	98.6	Very high	98.3	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.5	179.3	-62.7	174.8	0	0	0	110.2	V51 E53 L73 V78 Y82 W376	V51-L80 HydrophobicContact CB-CD2 4.17Å; V51-L80 WeakPolarHBondContact O-CA 3.41Å; E53-L80 HydrophobicContact CB-CB 4.5Å; E53-L80 WeakPolarHBondContact OE2-CD1 3.47Å; L73-L80 HydrophobicContact CD2-CD1 4.01Å; V78-L80 HydrophobicContact CG1-CD2 3.93Å; V78-L80 HydrophobicContact CG1-CG 4.17Å; V78-L80 HydrophobicContact CG2-CD2 4.2Å; V78-L80 PolarHBondContact O-N 3.12Å; L80-Y82 PolarHBondContact O-N 3.44Å; L80-W376 HydrophobicContact CD1-CH2 3.87Å; L80-W376 HydrophobicContact CD1-CZ3 4.32Å; L80-W376 HydrophobicContact CD2-CH2 4.04Å; L80-W376 HydrophobicContact CD2-CZ3 3.9Å
81	K	98.8	Very high	98.4	Very high	58 Å²	58	34.7 Å²	34.7	25%	0.252	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	90.9	167.5	-56.8	-54.4	175.3	-150.5	0	108.1	P50 V51 V52 E53 D79 Y83 Y108	P50-K81 HydrophobicContact CB-CD 4.49Å; P50-K81 HydrophobicContact CB-CG 3.97Å; P50-K81 HydrophobicContact CG-CG 4.41Å; V51-K81 PolarHBondContact O-N 3.25Å; V52-K81 WeakPolarHBondContact CA-O 3.4Å; V52-K81 HydrophobicContact CG2-CB 4.31Å; E53-K81 PolarHBondContact N-O 3.38Å; D79-K81 IonicContact OD1-NZ 2.77Å; D79-K81 PolarHBondContact OD1-NZ 3.41Å; D79-K81 VanDerWaalsContact OD2-CE 3.3Å; D79-K81 WeakPolarHBondContact OD2-CE 3.42Å; D79-K81 IonicContact OD2-NZ 3.75Å; D79-K81 PolarHBondContact OD2-NZ 3.17Å; K81-Y83 HydrophobicContact CB-CE2 4.03Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.42Å; K81-Y108 HydrophobicContact CB-CE2 4.48Å; K81-Y108 HydrophobicContact CD-CE2 4.43Å; K81-Y108 HydrophobicContact CG-CD2 3.98Å; K81-Y108 HydrophobicContact CG-CE2 3.72Å
82	Y	98.8	Very high	98.4	Very high	98 Å²	98	41 Å²	41	38%	0.384	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.9	-174.1	179.3	-94.6	0	0	0	112.5	E53 D55 R61 L80 D84	E53-Y82 HydrophobicContact CG-CD2 4.31Å; E53-Y82 CarbonylContact O-C 3.53Å; E53-Y82 WeakPolarHBondContact OE2-CD2 3.36Å; D55-Y82 HydrophobicContact CB-CE2 3.74Å; D55-Y82 PolarHBondContact OD2-OH 2.97Å; D55-Y82 VanDerWaalsContact OD2-OH 3.13Å; R61-Y82 PolarHBondContact NH2-OH 3.46Å; L80-Y82 PolarHBondContact O-N 3.44Å; Y82-D84 HydrophobicContact CE1-CB 3.9Å; Y82-D84 PolarHBondContact OH-OD2 2.96Å
83	Y	98.9	Very high	98.4	Very high	58 Å²	58	42.7 Å²	42.7	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.9	172	-65.8	-93.3	0	0	0	108.6	V52 E53 M54 D55 K81 L85 V97 D100 A104	V52-Y83 HydrophobicContact CG1-CD2 3.76Å; V52-Y83 HydrophobicContact CG1-CE2 3.99Å; E53-Y83 PolarHBondContact O-N 3.09Å; M54-Y83 WeakPolarHBondContact CA-O 3.38Å; D55-Y83 PolarHBondContact N-O 2.91Å; K81-Y83 HydrophobicContact CB-CE2 4.03Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.42Å; Y83-L85 PolarHBondContact O-N 2.96Å; Y83-V97 HydrophobicContact CD1-CG2 4.18Å; Y83-D100 HydrophobicContact CD1-CB 4.36Å; Y83-D100 HydrophobicContact CE1-CB 3.92Å; Y83-A104 HydrophobicContact CE2-CB 3.57Å; Y83-A104 VanDerWaalsContact OH-CB 3.25Å; Y83-A104 WeakPolarHBondContact OH-CB 3.21Å
84	D	98.8	Very high	98.4	Very high	30 Å²	30	45 Å²	45	16%	0.16	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	102.5	177	-165.9	-19.7	0	0	0	109.9	R61 Y82 G86 Y89	R61-D84 IonicContact CZ-OD1 3.57Å; R61-D84 IonicContact CZ-OD2 2.82Å; R61-D84 IonicContact NH1-OD1 3.45Å; R61-D84 PolarHBondContact NH1-OD1 3.24Å; R61-D84 IonicContact NH1-OD2 3.63Å; R61-D84 PolarHBondContact NH1-OD2 3.04Å; R61-D84 IonicContact NH2-OD1 2.76Å; R61-D84 IonicContact NH2-OD2 3.43Å; R61-D84 PolarHBondContact NH2-OD2 3.5Å; Y82-D84 HydrophobicContact CE1-CB 3.9Å; Y82-D84 PolarHBondContact OH-OD2 2.96Å; D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 WeakPolarHBondContact OD1-CA 3.41Å; D84-G86 PolarHBondContact OD1-N 3.27Å; D84-Y89 HydrophobicContact CB-CD1 3.89Å; D84-Y89 HydrophobicContact CB-CG 4.17Å; D84-Y89 VanDerWaalsContact O-CD1 3.28Å; D84-Y89 WeakPolarHBondContact O-CD1 3.33Å
85	L	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-92.1	14.4	173.8	-50.8	-170.2	0	0	0	112.5	M54 D55 Y83 L87 R90 V97 T116 I140	M54-L85 HydrophobicContact CB-CD1 3.75Å; M54-L85 HydrophobicContact CB-CG 4.03Å; M54-L85 HydrophobicContact CG-CD1 3.87Å; M54-L85 HydrophobicContact CG-CG 4.34Å; M54-L85 HydrophobicContact SD-CD1 3.86Å; D55-L85 WeakPolarHBondContact O-CA 3.43Å; D55-L85 VanDerWaalsContact O-CB 3.25Å; D55-L85 WeakPolarHBondContact O-CB 3.44Å; D55-L85 PolarHBondContact O-N 2.77Å; D55-L85 VanDerWaalsContact O-N 3.11Å; Y83-L85 PolarHBondContact O-N 2.96Å; L85-L87 PolarHBondContact O-N 2.88Å; L85-R90 WeakPolarHBondContact O-CD 3.17Å; L85-R90 PolarHBondContact O-NE 3.34Å; L85-V97 HydrophobicContact CD2-CB 4.37Å; L85-V97 HydrophobicContact CD2-CG1 3.88Å; L85-V97 HydrophobicContact CD2-CG2 3.95Å; L85-T116 HydrophobicContact CB-CG2 3.76Å; L85-I140 HydrophobicContact CD1-CD1 3.98Å
86	G	98.5	Very high	98.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	23%	0.23	C	C	.	.			trans	-54.9	137.6	168.5	0	0	0	0	0	110.8	D57 D84 P88 Y89 R90	D57-G86 VanDerWaalsContact OD1-CA 3.24Å; D57-G86 WeakPolarHBondContact OD1-CA 3.26Å; D84-G86 VanDerWaalsContact C-N 3.26Å; D84-G86 WeakPolarHBondContact OD1-CA 3.41Å; D84-G86 PolarHBondContact OD1-N 3.27Å; G86-P88 VanDerWaalsContact C-CD 3.42Å; G86-P88 VanDerWaalsContact C-N 3.31Å; G86-Y89 PolarHBondContact O-N 2.84Å; G86-R90 PolarHBondContact O-N 2.72Å
87	L	98.4	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-51.3	-41.6	-175.1	179.5	62.6	0	0	0	113.5	D57 L85 Y89 R90 D91 I117 P119 F127 L129	D57-L87 PolarHBondContact OD1-N 3.29Å; D57-L87 PolarHBondContact OD2-N 2.86Å; L85-L87 PolarHBondContact O-N 2.88Å; L87-Y89 PolarHBondContact O-N 2.97Å; L87-R90 VanDerWaalsContact CD1-NH2 3.35Å; L87-R90 PolarHBondContact O-N 3.45Å; L87-D91 PolarHBondContact O-N 2.78Å; L87-I117 HydrophobicContact CB-CB 4.46Å; L87-I117 HydrophobicContact CD2-CB 4.16Å; L87-I117 HydrophobicContact CD2-CD1 4.09Å; L87-I117 HydrophobicContact CD2-CG2 3.88Å; L87-P119 HydrophobicContact CD1-CB 4.38Å; L87-P119 HydrophobicContact CD1-CG 4.19Å; L87-F127 HydrophobicContact CD2-CB 4.19Å; L87-F127 HydrophobicContact CD2-CD1 4.01Å; L87-F127 HydrophobicContact CD2-CD2 3.59Å; L87-F127 HydrophobicContact CD2-CE1 4.27Å; L87-F127 HydrophobicContact CD2-CE2 3.89Å; L87-F127 HydrophobicContact CD2-CG 3.66Å; L87-F127 HydrophobicContact CD2-CZ 4.22Å; L87-F127 HydrophobicContact CG-CD1 4.4Å; L87-F127 HydrophobicContact CG-CG 4.37Å; L87-L129 HydrophobicContact CD1-CD1 3.94Å; L87-L129 HydrophobicContact CD1-CD2 3.99Å; L87-L129 HydrophobicContact CD2-CD1 4.22Å; L87-L129 HydrophobicContact CD2-CD2 4.28Å; L87-L129 HydrophobicContact CG-CD1 4.41Å; L87-L129 HydrophobicContact CG-CD2 3.95Å
88	P	98.4	Very high	98.5	Very high	79 Å²	79	44.7 Å²	44.7	51%	0.513	22%	0.219	S	C	.	.	H	α-helix	trans	-60.1	-41.1	175.7	-25	35.5	0	0	0	113.8	G86 D91 Q92 F127	G86-P88 VanDerWaalsContact C-CD 3.42Å; G86-P88 VanDerWaalsContact C-N 3.31Å; P88-D91 PolarHBondContact O-N 3.02Å; P88-Q92 WeakPolarHBondContact O-CB 3.46Å; P88-Q92 PolarHBondContact O-N 3.09Å; P88-F127 HydrophobicContact CG-CD1 4.22Å; P88-F127 HydrophobicContact CG-CE1 4.27Å
89	Y	98.6	Very high	98.5	Very high	97 Å²	97	46.9 Å²	46.9	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-77.9	-33	-178.2	-165.5	-107.8	0	0	0	112.2	D84 G86 L87 Q92 T93 V97	D84-Y89 HydrophobicContact CB-CD1 3.89Å; D84-Y89 HydrophobicContact CB-CG 4.17Å; D84-Y89 VanDerWaalsContact O-CD1 3.28Å; D84-Y89 WeakPolarHBondContact O-CD1 3.33Å; G86-Y89 PolarHBondContact O-N 2.84Å; L87-Y89 PolarHBondContact O-N 2.97Å; Y89-Q92 VanDerWaalsContact CD2-OE1 3.27Å; Y89-Q92 PolarHBondContact O-N 3.44Å; Y89-T93 HydrophobicContact CD1-CG2 4.09Å; Y89-T93 HydrophobicContact CD2-CG2 4.49Å; Y89-T93 HydrophobicContact CE1-CG2 3.7Å; Y89-T93 HydrophobicContact CE2-CG2 4.12Å; Y89-T93 HydrophobicContact CG-CG2 4.49Å; Y89-T93 WeakPolarHBondContact O-CB 3.43Å; Y89-T93 WeakPolarHBondContact O-CG2 3.5Å; Y89-T93 PolarHBondContact O-N 3.01Å; Y89-T93 PolarHBondContact O-OG1 3.12Å; Y89-V97 HydrophobicContact CD1-CB 4.1Å; Y89-V97 HydrophobicContact CD1-CG1 4.05Å; Y89-V97 HydrophobicContact CD1-CG2 3.93Å; Y89-V97 HydrophobicContact CE1-CB 4.05Å; Y89-V97 HydrophobicContact CE1-CG1 4.49Å; Y89-V97 HydrophobicContact CE1-CG2 3.77Å
90	R	98.6	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-46.2	167.8	-73.7	-171.2	-65.2	120.6	-0.3	111.3	D57 L85 G86 L87 Q92 T93 D94 D95 V97 T98 I117	D57-R90 IonicContact OD2-NH2 3.58Å; L85-R90 WeakPolarHBondContact O-CD 3.17Å; L85-R90 PolarHBondContact O-NE 3.34Å; G86-R90 PolarHBondContact O-N 2.72Å; L87-R90 VanDerWaalsContact CD1-NH2 3.35Å; L87-R90 PolarHBondContact O-N 3.45Å; R90-Q92 PolarHBondContact O-N 3.18Å; R90-T93 PolarHBondContact O-N 2.85Å; R90-T93 PolarHBondContact O-OG1 3.38Å; R90-D94 PolarHBondContact O-N 2.86Å; R90-D94 VanDerWaalsContact O-N 3.16Å; R90-D95 WeakPolarHBondContact CD-OD1 3.35Å; R90-D95 WeakPolarHBondContact O-CA 3.44Å; R90-D95 PolarHBondContact O-N 3.21Å; R90-V97 HydrophobicContact CB-CG1 4.44Å; R90-V97 HydrophobicContact CG-CG1 3.67Å; R90-T98 WeakPolarHBondContact CD-OG1 3.36Å; R90-I117 PolarHBondContact NH2-O 3.26Å
91	D	98.6	Very high	98.5	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-42.4	176.2	-170.8	78	0	0	0	112.5	L87 P88 T93 D94 L129 K130 W133	L87-D91 PolarHBondContact O-N 2.78Å; P88-D91 PolarHBondContact O-N 3.02Å; D91-T93 VanDerWaalsContact C-N 3.29Å; D91-T93 PolarHBondContact O-N 2.9Å; D91-D94 PolarHBondContact O-N 3.25Å; D91-L129 HydrophobicContact CB-CD2 3.86Å; D91-L129 WeakPolarHBondContact OD1-CA 3.27Å; D91-K130 WeakPolarHBondContact O-CE 3.3Å; D91-K130 PolarHBondContact O-NZ 2.99Å; D91-K130 PolarHBondContact OD1-N 2.72Å; D91-W133 PolarHBondContact OD1-NE1 2.85Å
92	Q	98.6	Very high	98.5	Very high	133 Å²	133	41.8 Å²	41.8	62%	0.621	21%	0.205	S	C	*	.	H	α-helix	trans	-57.7	-41.3	176.6	-174.4	179.5	9	0	0	112.4	P88 Y89 R90 K130	P88-Q92 WeakPolarHBondContact O-CB 3.46Å; P88-Q92 PolarHBondContact O-N 3.09Å; Y89-Q92 VanDerWaalsContact CD2-OE1 3.27Å; Y89-Q92 PolarHBondContact O-N 3.44Å; R90-Q92 PolarHBondContact O-N 3.18Å; Q92-K130 PolarHBondContact O-NZ 2.98Å
93	T	98.6	Very high	98.5	Very high	35 Å²	35	41.5 Å²	41.5	22%	0.215	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	10.2	-175.8	59.2	0	0	0	0	114.1	Y89 R90 D91 D95 Q96 V97	Y89-T93 HydrophobicContact CD1-CG2 4.09Å; Y89-T93 HydrophobicContact CD2-CG2 4.49Å; Y89-T93 HydrophobicContact CE1-CG2 3.7Å; Y89-T93 HydrophobicContact CE2-CG2 4.12Å; Y89-T93 HydrophobicContact CG-CG2 4.49Å; Y89-T93 WeakPolarHBondContact O-CB 3.43Å; Y89-T93 WeakPolarHBondContact O-CG2 3.5Å; Y89-T93 PolarHBondContact O-N 3.01Å; Y89-T93 PolarHBondContact O-OG1 3.12Å; R90-T93 PolarHBondContact O-N 2.85Å; R90-T93 PolarHBondContact O-OG1 3.38Å; D91-T93 VanDerWaalsContact C-N 3.29Å; D91-T93 PolarHBondContact O-N 2.9Å; T93-D95 PolarHBondContact O-N 3.43Å; T93-Q96 WeakPolarHBondContact O-CB 3.28Å; T93-Q96 PolarHBondContact O-N 3.37Å; T93-V97 WeakPolarHBondContact OG1-CG1 3.29Å
94	D	98.2	Very high	98.5	Very high	91 Å²	91	39 Å²	39	49%	0.487	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.2	-174.7	-60.5	-47	0	0	0	113.1	R90 D91 Q96 K130 W133	R90-D94 PolarHBondContact O-N 2.86Å; R90-D94 VanDerWaalsContact O-N 3.16Å; D91-D94 PolarHBondContact O-N 3.25Å; D94-Q96 PolarHBondContact O-N 3.16Å; D94-K130 VanDerWaalsContact OD1-CD 3.27Å; D94-K130 WeakPolarHBondContact OD1-CD 3.33Å; D94-K130 IonicContact OD1-NZ 2.75Å; D94-K130 PolarHBondContact OD1-NZ 2.75Å; D94-K130 IonicContact OD2-NZ 3.74Å; D94-W133 HydrophobicContact CB-CH2 3.69Å; D94-W133 HydrophobicContact CB-CZ2 4.35Å; D94-W133 HydrophobicContact CB-CZ3 4.41Å; D94-W133 WeakPolarHBondContact O-CZ3 3.31Å
95	D	97.4	Very high	98.5	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.08	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	11.1	-176.9	-157.4	38.4	0	0	0	115.1	R90 T93 V97 T98 W133	R90-D95 WeakPolarHBondContact CD-OD1 3.35Å; R90-D95 WeakPolarHBondContact O-CA 3.44Å; R90-D95 PolarHBondContact O-N 3.21Å; T93-D95 PolarHBondContact O-N 3.43Å; D95-V97 VanDerWaalsContact C-N 3.31Å; D95-V97 PolarHBondContact O-N 3.33Å; D95-T98 WeakPolarHBondContact O-CB 3.4Å; D95-T98 PolarHBondContact O-N 2.91Å; D95-T98 WeakPolarHBondContact OD1-CB 3.28Å; D95-T98 PolarHBondContact OD1-OG1 3.05Å; D95-W133 HydrophobicContact CB-CD2 4.04Å; D95-W133 HydrophobicContact CB-CE3 3.56Å; D95-W133 HydrophobicContact CB-CZ3 3.97Å
96	Q	98.6	Very high	98.4	Very high	86 Å²	86	42.5 Å²	42.5	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-34.6	178.7	-173.3	58.8	48.3	0	0	112.4	T93 D94 T98 I99 D100	T93-Q96 WeakPolarHBondContact O-CB 3.28Å; T93-Q96 PolarHBondContact O-N 3.37Å; D94-Q96 PolarHBondContact O-N 3.16Å; Q96-T98 PolarHBondContact O-N 3.2Å; Q96-I99 WeakPolarHBondContact O-CB 3.49Å; Q96-I99 PolarHBondContact O-N 3.24Å; Q96-D100 PolarHBondContact NE2-OD1 2.91Å; Q96-D100 PolarHBondContact O-N 3.09Å
97	V	98.8	Very high	98.4	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-33.9	177.5	67.7	0	0	0	0	112.3	Y83 L85 Y89 R90 T93 D95 D100 S101	Y83-V97 HydrophobicContact CD1-CG2 4.18Å; L85-V97 HydrophobicContact CD2-CB 4.37Å; L85-V97 HydrophobicContact CD2-CG1 3.88Å; L85-V97 HydrophobicContact CD2-CG2 3.95Å; Y89-V97 HydrophobicContact CD1-CB 4.1Å; Y89-V97 HydrophobicContact CD1-CG1 4.05Å; Y89-V97 HydrophobicContact CD1-CG2 3.93Å; Y89-V97 HydrophobicContact CE1-CB 4.05Å; Y89-V97 HydrophobicContact CE1-CG1 4.49Å; Y89-V97 HydrophobicContact CE1-CG2 3.77Å; R90-V97 HydrophobicContact CB-CG1 4.44Å; R90-V97 HydrophobicContact CG-CG1 3.67Å; T93-V97 WeakPolarHBondContact OG1-CG1 3.29Å; D95-V97 VanDerWaalsContact C-N 3.31Å; D95-V97 PolarHBondContact O-N 3.33Å; V97-D100 PolarHBondContact O-N 3.29Å; V97-S101 WeakPolarHBondContact O-CB 3.5Å; V97-S101 PolarHBondContact O-N 3.22Å; V97-S101 PolarHBondContact O-OG 2.88Å
98	T	98.5	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-44.8	176.3	-58.5	0	0	0	0	110.8	R90 D95 Q96 S101 A102 P136 T139 I140	R90-T98 WeakPolarHBondContact CD-OG1 3.36Å; D95-T98 WeakPolarHBondContact O-CB 3.4Å; D95-T98 PolarHBondContact O-N 2.91Å; D95-T98 WeakPolarHBondContact OD1-CB 3.28Å; D95-T98 PolarHBondContact OD1-OG1 3.05Å; Q96-T98 PolarHBondContact O-N 3.2Å; T98-S101 PolarHBondContact O-OG 3.01Å; T98-A102 PolarHBondContact O-N 2.86Å; T98-P136 HydrophobicContact CG2-CB 3.89Å; T98-T139 HydrophobicContact CG2-CG2 3.74Å; T98-I140 HydrophobicContact CG2-CG1 4.26Å
99	I	98.4	Very high	98.4	Very high	59 Å²	59	48.9 Å²	48.9	30%	0.303	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-47.2	178	-62.5	172	0	0	0	110.2	Q96 S101 A102 L103 T139 I143	Q96-I99 WeakPolarHBondContact O-CB 3.49Å; Q96-I99 PolarHBondContact O-N 3.24Å; I99-S101 VanDerWaalsContact C-N 3.29Å; I99-S101 PolarHBondContact O-N 3.34Å; I99-A102 WeakPolarHBondContact O-CB 3.29Å; I99-A102 PolarHBondContact O-N 3.44Å; I99-A102 VanDerWaalsContact O-N 3.13Å; I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.44Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 2.83Å; I99-T139 HydrophobicContact CG1-CG2 4.03Å; I99-I143 HydrophobicContact CB-CD1 4.24Å; I99-I143 HydrophobicContact CG1-CD1 4.26Å; I99-I143 HydrophobicContact CG2-CD1 3.97Å
100	D	98.8	Very high	98.4	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.342	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-39.2	-177.7	-66.8	-12.9	0	0	0	111.6	Y83 Q96 V97 A102 L103 A104	Y83-D100 HydrophobicContact CD1-CB 4.36Å; Y83-D100 HydrophobicContact CE1-CB 3.92Å; Q96-D100 PolarHBondContact NE2-OD1 2.91Å; Q96-D100 PolarHBondContact O-N 3.09Å; V97-D100 PolarHBondContact O-N 3.29Å; D100-A102 VanDerWaalsContact C-N 3.35Å; D100-A102 PolarHBondContact O-N 3.13Å; D100-L103 PolarHBondContact O-N 3.33Å; D100-A104 WeakPolarHBondContact O-CB 3.4Å; D100-A104 PolarHBondContact O-N 3.47Å
101	S	98.8	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-39.1	176	77.8	0	0	0	0	112.4	M54 V97 T98 I99 A104 T105	M54-S101 WeakPolarHBondContact CE-O 3.35Å; M54-S101 WeakPolarHBondContact CE-OG 3.36Å; V97-S101 WeakPolarHBondContact O-CB 3.5Å; V97-S101 PolarHBondContact O-N 3.22Å; V97-S101 PolarHBondContact O-OG 2.88Å; T98-S101 PolarHBondContact O-OG 3.01Å; I99-S101 VanDerWaalsContact C-N 3.29Å; I99-S101 PolarHBondContact O-N 3.34Å; S101-A104 PolarHBondContact O-N 3.33Å; S101-T105 PolarHBondContact O-N 3.36Å; S101-T105 PolarHBondContact O-OG1 3.26Å
102	A	98	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-40.3	176.5	0	0	0	0	0	111.7	T98 I99 D100 T105 K106 I140 I143 L144	T98-A102 PolarHBondContact O-N 2.86Å; I99-A102 WeakPolarHBondContact O-CB 3.29Å; I99-A102 PolarHBondContact O-N 3.44Å; I99-A102 VanDerWaalsContact O-N 3.13Å; D100-A102 VanDerWaalsContact C-N 3.35Å; D100-A102 PolarHBondContact O-N 3.13Å; A102-T105 WeakPolarHBondContact O-CB 3.44Å; A102-T105 PolarHBondContact O-N 3.21Å; A102-K106 PolarHBondContact O-N 3.28Å; A102-I140 HydrophobicContact CB-CB 4.39Å; A102-I140 HydrophobicContact CB-CG1 4.13Å; A102-I140 HydrophobicContact CB-CG2 4.34Å; A102-I143 HydrophobicContact CB-CB 3.86Å; A102-I143 HydrophobicContact CB-CD1 3.71Å; A102-I143 HydrophobicContact CB-CG1 4.4Å; A102-I143 HydrophobicContact CB-CG2 3.73Å; A102-L144 WeakPolarHBondContact O-CD2 3.42Å
103	L	98.5	Very high	98.4	Very high	92 Å²	92	37 Å²	37	48%	0.482	18%	0.181	S	C	.	.	H	α-helix	trans	-65.7	-39.4	175.1	-66.2	176.6	0	0	0	111.9	I99 D100 T105 K106 K107 I143	I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.44Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 2.83Å; D100-L103 PolarHBondContact O-N 3.33Å; L103-T105 VanDerWaalsContact C-N 3.27Å; L103-T105 PolarHBondContact O-N 2.84Å; L103-K106 PolarHBondContact O-N 2.94Å; L103-K107 PolarHBondContact O-N 3.46Å; L103-K107 VanDerWaalsContact O-N 3.12Å; L103-I143 HydrophobicContact CD2-CG2 4.13Å
104	A	98.7	Very high	98.4	Very high	6 Å²	6	35.3 Å²	35.3	5%	0.05	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-38.5	171.8	0	0	0	0	0	111.5	V52 Y83 D100 S101 K107 Y108	V52-A104 HydrophobicContact CG1-CB 4.47Å; V52-A104 HydrophobicContact CG2-CB 3.93Å; Y83-A104 HydrophobicContact CE2-CB 3.57Å; Y83-A104 VanDerWaalsContact OH-CB 3.25Å; Y83-A104 WeakPolarHBondContact OH-CB 3.21Å; D100-A104 WeakPolarHBondContact O-CB 3.4Å; D100-A104 PolarHBondContact O-N 3.47Å; S101-A104 PolarHBondContact O-N 3.33Å; A104-K107 WeakPolarHBondContact O-CB 3.36Å; A104-K107 PolarHBondContact O-N 3.06Å; A104-K107 VanDerWaalsContact O-N 3.1Å; A104-Y108 HydrophobicContact CB-CD2 4.31Å; A104-Y108 HydrophobicContact CB-CE2 4.42Å; A104-Y108 WeakPolarHBondContact O-CD2 3.24Å; A104-Y108 PolarHBondContact O-N 3.03Å
105	T	98.6	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-42.3	176.5	-55	0	0	0	0	111.3	M54 S101 A102 L103 K107 Y108 N109 A111 L144 T342	M54-T105 WeakPolarHBondContact CE-OG1 3.4Å; S101-T105 PolarHBondContact O-N 3.36Å; S101-T105 PolarHBondContact O-OG1 3.26Å; A102-T105 WeakPolarHBondContact O-CB 3.44Å; A102-T105 PolarHBondContact O-N 3.21Å; L103-T105 VanDerWaalsContact C-N 3.27Å; L103-T105 PolarHBondContact O-N 2.84Å; T105-K107 VanDerWaalsContact C-N 3.25Å; T105-K107 PolarHBondContact O-N 2.9Å; T105-Y108 PolarHBondContact O-N 3.09Å; T105-N109 WeakPolarHBondContact O-CA 3.46Å; T105-N109 PolarHBondContact O-N 3.21Å; T105-A111 HydrophobicContact CG2-CB 3.59Å; T105-A111 WeakPolarHBondContact OG1-CB 3.41Å; T105-L144 HydrophobicContact CG2-CD1 3.78Å; T105-L144 HydrophobicContact CG2-CD2 4.19Å; T105-T342 HydrophobicContact CG2-CG2 4.14Å
106	K	96.8	Very high	98.3	Very high	104 Å²	104	31.3 Å²	31.3	45%	0.452	15%	0.151	S	C	.	.	H	α-helix	trans	-58.1	-39	171.2	-70.2	-165.8	170.6	-179.2	0	112.6	A102 L103 I143 L144	A102-K106 PolarHBondContact O-N 3.28Å; L103-K106 PolarHBondContact O-N 2.94Å; K106-I143 HydrophobicContact CD-CG2 4.48Å; K106-I143 WeakPolarHBondContact CE-O 3.44Å; K106-I143 PolarHBondContact NZ-O 3.43Å; K106-L144 HydrophobicContact CD-CD2 4.42Å; K106-L144 HydrophobicContact CG-CD2 3.43Å; K106-L144 VanDerWaalsContact CG-CD2 3.43Å
107	K	98.3	Very high	98.2	Very high	141 Å²	141	27.5 Å²	27.5	61%	0.613	13%	0.133	S	C	*	.	H	α-helix	trans	-69.9	-46.2	-179.3	-176.6	177.7	177.1	-174.1	0	112.1	L103 A104 T105 N109	L103-K107 PolarHBondContact O-N 3.46Å; L103-K107 VanDerWaalsContact O-N 3.12Å; A104-K107 WeakPolarHBondContact O-CB 3.36Å; A104-K107 PolarHBondContact O-N 3.06Å; A104-K107 VanDerWaalsContact O-N 3.1Å; T105-K107 VanDerWaalsContact C-N 3.25Å; T105-K107 PolarHBondContact O-N 2.9Å; K107-N109 PolarHBondContact O-ND2 2.99Å
108	Y	98.4	Very high	97.9	Very high	55 Å²	55	30.6 Å²	30.6	22%	0.216	15%	0.152	C	C	.	.	H	α-helix	trans	-99.9	-7.4	-171.4	-57.7	-61.9	0	0	0	114.1	P50 V52 K81 A104 T105 V110 R383	P50-Y108 HydrophobicContact CG-CD1 3.29Å; P50-Y108 HydrophobicContact CG-CD2 4.49Å; P50-Y108 HydrophobicContact CG-CE1 3.66Å; P50-Y108 HydrophobicContact CG-CG 3.77Å; V52-Y108 HydrophobicContact CG2-CD2 3.9Å; K81-Y108 HydrophobicContact CB-CE2 4.48Å; K81-Y108 HydrophobicContact CD-CE2 4.43Å; K81-Y108 HydrophobicContact CG-CD2 3.98Å; K81-Y108 HydrophobicContact CG-CE2 3.72Å; A104-Y108 HydrophobicContact CB-CD2 4.31Å; A104-Y108 HydrophobicContact CB-CE2 4.42Å; A104-Y108 WeakPolarHBondContact O-CD2 3.24Å; A104-Y108 PolarHBondContact O-N 3.03Å; T105-Y108 PolarHBondContact O-N 3.09Å; Y108-V110 PolarHBondContact O-N 2.93Å; Y108-R383 PolarHBondContact O-NH1 3.2Å
109	N	98.3	Very high	97.7	Very high	18 Å²	18	30.9 Å²	30.9	10%	0.096	15%	0.154	C	C	.	.	S	Bend	trans	70.1	-8.8	173.9	-42.1	-97.9	0	0	0	115.6	T105 K107 K341 T342 I343 L386	T105-N109 WeakPolarHBondContact O-CA 3.46Å; T105-N109 PolarHBondContact O-N 3.21Å; K107-N109 PolarHBondContact O-ND2 2.99Å; N109-K341 HydrophobicContact CB-CD 4.48Å; N109-K341 HydrophobicContact CB-CG 4.2Å; N109-K341 VanDerWaalsContact CG-CE 3.4Å; N109-K341 VanDerWaalsContact CG-NZ 3.35Å; N109-K341 PolarHBondContact ND2-NZ 2.83Å; N109-K341 VanDerWaalsContact OD1-CD 3.25Å; N109-K341 WeakPolarHBondContact OD1-CD 3.39Å; N109-K341 WeakPolarHBondContact OD1-CE 3.39Å; N109-K341 PolarHBondContact OD1-NZ 3.48Å; N109-T342 CarbonylContact O-C 3.46Å; N109-T342 VanDerWaalsContact O-CA 3.29Å; N109-T342 WeakPolarHBondContact O-CA 3.29Å; N109-I343 PolarHBondContact O-N 3.44Å; N109-L386 HydrophobicContact CB-CD1 3.95Å
110	V	98.6	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123	-176.3	-169.9	0	0	0	0	109.7	V51 V52 Y108 I343 G379 R383 L386	V51-V110 HydrophobicContact CG1-CG1 4.13Å; V51-V110 HydrophobicContact CG2-CB 4.45Å; V51-V110 HydrophobicContact CG2-CG1 4.29Å; V52-V110 PolarHBondContact N-O 3.33Å; Y108-V110 PolarHBondContact O-N 2.93Å; V110-I343 HydrophobicContact CG1-CG1 4.36Å; V110-G379 VanDerWaalsContact CG1-O 3.25Å; V110-G379 WeakPolarHBondContact CG1-O 3.46Å; V110-R383 HydrophobicContact CG2-CB 4.24Å; V110-L386 HydrophobicContact CG2-CD1 4.01Å
111	A	98.8	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.5	168	0	0	0	0	0	112.2	V52 M54 T105 I343 E344 A345	V52-A111 HydrophobicContact CB-CB 4.01Å; V52-A111 HydrophobicContact CG1-CB 4.33Å; V52-A111 CarbonylContact O-C 3.53Å; V52-A111 VanDerWaalsContact O-CA 3.27Å; V52-A111 WeakPolarHBondContact O-CA 3.4Å; M54-A111 HydrophobicContact CE-CB 3.8Å; T105-A111 HydrophobicContact CG2-CB 3.59Å; T105-A111 WeakPolarHBondContact OG1-CB 3.41Å; A111-I343 PolarHBondContact N-O 2.85Å; A111-E344 HydrophobicContact CB-CB 4.07Å; A111-E344 HydrophobicContact CB-CG 3.94Å; A111-E344 WeakPolarHBondContact O-CA 3.5Å; A111-A345 PolarHBondContact O-N 3.43Å
112	V	98.8	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.5	167	-63.4	0	0	0	0	107.9	V51 V52 E53 M54 W64 A345 A375 W376	V51-V112 HydrophobicContact CG1-CG1 4.13Å; V51-V112 HydrophobicContact CG1-CG2 4Å; V52-V112 PolarHBondContact O-N 2.9Å; E53-V112 HydrophobicContact CB-CG2 4.44Å; M54-V112 PolarHBondContact N-O 3.36Å; W64-V112 HydrophobicContact CH2-CB 4.01Å; W64-V112 HydrophobicContact CH2-CG2 4.29Å; W64-V112 HydrophobicContact CZ2-CB 4.15Å; W64-V112 HydrophobicContact CZ2-CG2 3.94Å; V112-A345 WeakPolarHBondContact CA-O 3.09Å; V112-A375 WeakPolarHBondContact CG1-O 3.38Å; V112-W376 HydrophobicContact CG2-CD2 4.11Å; V112-W376 HydrophobicContact CG2-CE3 3.96Å; V112-W376 HydrophobicContact CG2-CH2 4.04Å; V112-W376 HydrophobicContact CG2-CZ2 4.18Å; V112-W376 HydrophobicContact CG2-CZ3 3.93Å
113	K	98.7	Very high	96.4	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.8	-169.2	178.7	176.2	-176.7	-62.3	0	112.5	M54 T116 N137 I140 E344 A345 E346	M54-K113 HydrophobicContact CB-CB 3.98Å; M54-K113 HydrophobicContact CB-CG 3.85Å; M54-K113 HydrophobicContact SD-CB 4.1Å; M54-K113 HydrophobicContact SD-CD 3.87Å; M54-K113 HydrophobicContact SD-CG 4.09Å; K113-T116 PolarHBondContact NZ-OG1 3.4Å; K113-N137 WeakPolarHBondContact CE-OD1 3.29Å; K113-N137 PolarHBondContact NZ-OD1 3.4Å; K113-I140 HydrophobicContact CD-CD1 3.88Å; K113-E344 HydrophobicContact CB-CG 4.39Å; K113-E344 WeakPolarHBondContact CB-OE1 3.18Å; K113-A345 PolarHBondContact N-O 3.48Å; K113-E346 HydrophobicContact CB-CB 4.24Å; K113-E346 IonicContact NZ-OE2 2.69Å
114	C	98.4	Very high	96.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.192	C	C	.	.			trans	-78	154.6	169.4	-171.1	0	0	0	0	110.9	M54 T60 W64	M54-C114 WeakPolarHBondContact O-CB 3.08Å; M54-C114 PolarHBondContact O-N 2.88Å; T60-C114 VanDerWaalsContact C-SG 3.51Å; W64-C114 HydrophobicContact CB-CB 4.45Å; W64-C114 HydrophobicContact CD2-CB 3.73Å; W64-C114 HydrophobicContact CE3-CB 3.98Å; W64-C114 HydrophobicContact CG-CB 3.96Å; W64-C114 HydrophobicContact CZ2-CB 4.46Å; W64-C114 HydrophobicContact CZ3-CB 4.45Å
115	A	96.4	Very high	96.1	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	23%	0.225	C	C	.	.			trans	-66.5	141.6	176.7	0	0	0	0	0	110.8	G56 D57 T60 T351	G56-A115 VanDerWaalsContact CA-O 3.3Å; G56-A115 WeakPolarHBondContact CA-O 3.46Å; D57-A115 PolarHBondContact N-O 2.64Å; T60-A115 HydrophobicContact CG2-CB 3.92Å; A115-T351 HydrophobicContact CB-CG2 3.97Å; A115-T351 WeakPolarHBondContact O-CG2 3.24Å
116	T	97.7	Very high	96	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.086	24%	0.243	C	C	.	.			trans	-127.7	143.2	-173.2	48.2	0	0	0	0	110.7	D57 L85 K113 T118 P136 T351	D57-T116 WeakPolarHBondContact OD2-CA 3.22Å; L85-T116 HydrophobicContact CB-CG2 3.76Å; K113-T116 PolarHBondContact NZ-OG1 3.4Å; T116-T118 PolarHBondContact O-N 3.13Å; T116-P136 HydrophobicContact CG2-CG 4.48Å; T116-T351 VanDerWaalsContact C-CG2 3.47Å
117	I	96.9	Very high	96	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	24%	0.235	C	C	.	.			trans	-66.7	130.8	174.2	-65.3	168.7	0	0	0	109.3	D57 E58 L87 R90 R123 F127 T351	D57-I117 HydrophobicContact CB-CD1 3.9Å; D57-I117 HydrophobicContact CB-CG1 3.75Å; D57-I117 PolarHBondContact OD2-N 2.58Å; E58-I117 HydrophobicContact CG-CD1 3.95Å; E58-I117 HydrophobicContact CG-CG1 4.43Å; L87-I117 HydrophobicContact CB-CB 4.46Å; L87-I117 HydrophobicContact CD2-CB 4.16Å; L87-I117 HydrophobicContact CD2-CD1 4.09Å; L87-I117 HydrophobicContact CD2-CG2 3.88Å; R90-I117 PolarHBondContact NH2-O 3.26Å; I117-R123 HydrophobicContact CG2-CG 3.98Å; I117-F127 HydrophobicContact CD1-CE2 4.04Å; I117-F127 HydrophobicContact CD1-CZ 3.9Å; I117-T351 HydrophobicContact CG1-CG2 4.12Å
118	T	92.3	Very high	96	Very high	73 Å²	73	44.7 Å²	44.7	45%	0.448	24%	0.24	S	C	.	.			trans	-96.7	112.6	159.4	-59.5	0	0	0	0	106.7	T116 S135	T116-T118 PolarHBondContact O-N 3.13Å; T118-S135 WeakPolarHBondContact OG1-CB 3.28Å; T118-S135 PolarHBondContact OG1-OG 3.19Å
119	P	93.1	Very high	95.9	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.045	23%	0.234	C	C	.	.			trans	-71.7	136.5	-170.3	28.6	-34.7	0	0	0	112	L87 R123 L129 M132 W133	L87-P119 HydrophobicContact CD1-CB 4.38Å; L87-P119 HydrophobicContact CD1-CG 4.19Å; P119-R123 HydrophobicContact CB-CB 3.78Å; P119-L129 HydrophobicContact CB-CD1 3.48Å; P119-L129 VanDerWaalsContact CB-CD1 3.48Å; P119-L129 HydrophobicContact CG-CD1 3.95Å; P119-M132 WeakPolarHBondContact O-CG 3.47Å; P119-W133 WeakPolarHBondContact CD-O 3.4Å; P119-W133 HydrophobicContact CG-CB 4.13Å; P119-W133 WeakPolarHBondContact CG-O 3.35Å
120	D	87.2	Confident	95.9	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	25%	0.253	S	S	.	.			trans	-104.7	-172.8	164.1	61.2	19.3	0	0	0	109.6	A122 R123 V124	D120-A122 VanDerWaalsContact C-N 3.27Å; D120-A122 PolarHBondContact O-N 2.86Å; D120-A122 WeakPolarHBondContact OD1-CB 3.33Å; D120-A122 PolarHBondContact OD1-N 3.01Å; D120-R123 PolarHBondContact O-N 2.85Å; D120-R123 VanDerWaalsContact O-N 3.16Å; D120-R123 WeakPolarHBondContact OD1-CG 3.4Å; D120-R123 PolarHBondContact OD1-N 2.66Å; D120-V124 WeakPolarHBondContact O-CG2 3.38Å; D120-V124 PolarHBondContact O-N 2.68Å
121	E	90.1	Very high	95.6	Very high	142 Å²	142	52.9 Å²	52.9	66%	0.664	28%	0.277	S	S	*	.	H	α-helix	trans	-56.8	-40.6	179.4	-65.9	79.9	-177.5	0	0	112.3	V124 E125 M132	E121-V124 PolarHBondContact O-N 3.03Å; E121-E125 PolarHBondContact O-N 3.3Å; E121-M132 HydrophobicContact CG-CE 3.85Å
122	A	94.3	Very high	95.2	Very high	61 Å²	61	57.3 Å²	57.3	50%	0.504	30%	0.299	S	S	.	.	H	α-helix	trans	-68.3	-36.7	179.4	0	0	0	0	0	111.7	D120 E125 E126	D120-A122 VanDerWaalsContact C-N 3.27Å; D120-A122 PolarHBondContact O-N 2.86Å; D120-A122 WeakPolarHBondContact OD1-CB 3.33Å; D120-A122 PolarHBondContact OD1-N 3.01Å; A122-E125 PolarHBondContact O-N 2.95Å; A122-E126 WeakPolarHBondContact O-CB 3.4Å; A122-E126 PolarHBondContact O-N 3.36Å
123	R	94.9	Very high	95	Very high	28 Å²	28	58.3 Å²	58.3	11%	0.106	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-32.9	174.6	-63.1	-50.7	-170.8	145.7	14.9	112.8	E58 I117 P119 D120 E125 E126 F127 T353	E58-R123 IonicContact OE1-CZ 2.75Å; E58-R123 VanDerWaalsContact OE1-CZ 3.31Å; E58-R123 IonicContact OE1-NH1 2.72Å; E58-R123 PolarHBondContact OE1-NH1 2.78Å; E58-R123 IonicContact OE1-NH2 2.77Å; E58-R123 PolarHBondContact OE1-NH2 3.46Å; E58-R123 IonicContact OE2-NH2 3.79Å; I117-R123 HydrophobicContact CG2-CG 3.98Å; P119-R123 HydrophobicContact CB-CB 3.78Å; D120-R123 PolarHBondContact O-N 2.85Å; D120-R123 VanDerWaalsContact O-N 3.16Å; D120-R123 WeakPolarHBondContact OD1-CG 3.4Å; D120-R123 PolarHBondContact OD1-N 2.66Å; R123-E125 VanDerWaalsContact C-N 3.31Å; R123-E126 VanDerWaalsContact CD-OE2 3.29Å; R123-E126 WeakPolarHBondContact CD-OE2 3.29Å; R123-E126 IonicContact CZ-OE2 2.75Å; R123-E126 IonicContact NE-OE2 2.87Å; R123-E126 IonicContact NH1-OE1 3.57Å; R123-E126 IonicContact NH1-OE2 2.83Å; R123-E126 PolarHBondContact NH1-OE2 3.36Å; R123-E126 PolarHBondContact O-N 3.01Å; R123-F127 WeakPolarHBondContact O-CB 3.36Å; R123-F127 PolarHBondContact O-N 2.87Å; R123-T353 PolarHBondContact NH2-OG1 2.9Å
124	V	94.4	Very high	94.5	Very high	39 Å²	39	66 Å²	66	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-45	172.5	171.1	0	0	0	0	110.3	D120 E121 S128 L129 M132	D120-V124 WeakPolarHBondContact O-CG2 3.38Å; D120-V124 PolarHBondContact O-N 2.68Å; E121-V124 PolarHBondContact O-N 3.03Å; V124-S128 CarbonylContact O-C 3.59Å; V124-S128 VanDerWaalsContact O-CA 3.27Å; V124-S128 WeakPolarHBondContact O-CA 3.41Å; V124-S128 PolarHBondContact O-N 2.91Å; V124-L129 HydrophobicContact CB-CB 4.48Å; V124-L129 HydrophobicContact CG1-CB 4.33Å; V124-L129 HydrophobicContact CG2-CB 4.37Å; V124-L129 HydrophobicContact CG2-CD1 4.04Å; V124-L129 PolarHBondContact O-N 2.99Å; V124-M132 HydrophobicContact CG2-CB 3.94Å; V124-M132 HydrophobicContact CG2-CG 4.28Å
125	E	96.9	Very high	94.1	Very high	161 Å²	161	67.8 Å²	67.8	75%	0.752	35%	0.348	S	S	*	.	H	α-helix	trans	-66.8	-51.4	175.4	-171.7	179.3	175.4	0	0	111.8	E121 A122 R123 F127 S128	E121-E125 PolarHBondContact O-N 3.3Å; A122-E125 PolarHBondContact O-N 2.95Å; R123-E125 VanDerWaalsContact C-N 3.31Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.12Å; E125-S128 PolarHBondContact O-N 3.29Å
126	E	97.1	Very high	94	Very high	82 Å²	82	67.5 Å²	67.5	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-55.6	-42.7	-176.9	-178.7	-173.7	179	0	0	112.7	A122 R123 R357	A122-E126 WeakPolarHBondContact O-CB 3.4Å; A122-E126 PolarHBondContact O-N 3.36Å; R123-E126 VanDerWaalsContact CD-OE2 3.29Å; R123-E126 WeakPolarHBondContact CD-OE2 3.29Å; R123-E126 IonicContact CZ-OE2 2.75Å; R123-E126 IonicContact NE-OE2 2.87Å; R123-E126 IonicContact NH1-OE1 3.57Å; R123-E126 IonicContact NH1-OE2 2.83Å; R123-E126 PolarHBondContact NH1-OE2 3.36Å; R123-E126 PolarHBondContact O-N 3.01Å; E126-R357 IonicContact OE1-CZ 3.65Å; E126-R357 IonicContact OE1-NH1 2.76Å; E126-R357 PolarHBondContact OE1-NH1 3.41Å; E126-R357 IonicContact OE1-NH2 3.34Å; E126-R357 PolarHBondContact OE1-NH2 2.94Å; E126-R357 IonicContact OE2-CZ 2.68Å; E126-R357 IonicContact OE2-NH2 3.47Å; E126-R357 PolarHBondContact OE2-NH2 2.72Å
127	F	97	Very high	93.6	Very high	64 Å²	64	68.4 Å²	68.4	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-100.9	1.4	-176	-72.2	-97.3	0	0	0	113.4	L87 P88 I117 R123 E125 L129	L87-F127 HydrophobicContact CD2-CB 4.19Å; L87-F127 HydrophobicContact CD2-CD1 4.01Å; L87-F127 HydrophobicContact CD2-CD2 3.59Å; L87-F127 HydrophobicContact CD2-CE1 4.27Å; L87-F127 HydrophobicContact CD2-CE2 3.89Å; L87-F127 HydrophobicContact CD2-CG 3.66Å; L87-F127 HydrophobicContact CD2-CZ 4.22Å; L87-F127 HydrophobicContact CG-CD1 4.4Å; L87-F127 HydrophobicContact CG-CG 4.37Å; P88-F127 HydrophobicContact CG-CD1 4.22Å; P88-F127 HydrophobicContact CG-CE1 4.27Å; I117-F127 HydrophobicContact CD1-CE2 4.04Å; I117-F127 HydrophobicContact CD1-CZ 3.9Å; R123-F127 WeakPolarHBondContact O-CB 3.36Å; R123-F127 PolarHBondContact O-N 2.87Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.12Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CB-CD2 3.49Å; F127-L129 VanDerWaalsContact CB-CD2 3.49Å; F127-L129 HydrophobicContact CB-CG 3.85Å; F127-L129 PolarHBondContact O-N 2.87Å
128	S	97.9	Very high	93.2	Very high	103 Å²	103	69.4 Å²	69.4	72%	0.72	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	47.4	-175.7	-58.8	0	0	0	0	112.6	V124 E125	V124-S128 CarbonylContact O-C 3.59Å; V124-S128 VanDerWaalsContact O-CA 3.27Å; V124-S128 WeakPolarHBondContact O-CA 3.41Å; V124-S128 PolarHBondContact O-N 2.91Å; E125-S128 PolarHBondContact O-N 3.29Å
129	L	96.8	Very high	93.1	Very high	16 Å²	16	66.9 Å²	66.9	8%	0.084	35%	0.347	C	S	.	.			trans	-69.3	145.7	-172.9	-56.5	179.8	0	0	0	111.9	L87 D91 P119 V124 F127 K131	L87-L129 HydrophobicContact CD1-CD1 3.94Å; L87-L129 HydrophobicContact CD1-CD2 3.99Å; L87-L129 HydrophobicContact CD2-CD1 4.22Å; L87-L129 HydrophobicContact CD2-CD2 4.28Å; L87-L129 HydrophobicContact CG-CD1 4.41Å; L87-L129 HydrophobicContact CG-CD2 3.95Å; D91-L129 HydrophobicContact CB-CD2 3.86Å; D91-L129 WeakPolarHBondContact OD1-CA 3.27Å; P119-L129 HydrophobicContact CB-CD1 3.48Å; P119-L129 VanDerWaalsContact CB-CD1 3.48Å; P119-L129 HydrophobicContact CG-CD1 3.95Å; V124-L129 HydrophobicContact CB-CB 4.48Å; V124-L129 HydrophobicContact CG1-CB 4.33Å; V124-L129 HydrophobicContact CG2-CB 4.37Å; V124-L129 HydrophobicContact CG2-CD1 4.04Å; V124-L129 PolarHBondContact O-N 2.99Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 HydrophobicContact CB-CD2 3.49Å; F127-L129 VanDerWaalsContact CB-CD2 3.49Å; F127-L129 HydrophobicContact CB-CG 3.85Å; F127-L129 PolarHBondContact O-N 2.87Å; L129-K131 WeakPolarHBondContact CB-O 3.43Å; L129-K131 PolarHBondContact O-N 2.88Å
130	K	97.4	Very high	93.1	Very high	114 Å²	114	66.6 Å²	66.6	50%	0.496	34%	0.344	S	S	.	.	S	Bend	trans	-61	-35.1	173	-64.5	169.8	-175	166.4	0	112	D91 Q92 D94 W133	D91-K130 WeakPolarHBondContact O-CE 3.3Å; D91-K130 PolarHBondContact O-NZ 2.99Å; D91-K130 PolarHBondContact OD1-N 2.72Å; Q92-K130 PolarHBondContact O-NZ 2.98Å; D94-K130 VanDerWaalsContact OD1-CD 3.27Å; D94-K130 WeakPolarHBondContact OD1-CD 3.33Å; D94-K130 IonicContact OD1-NZ 2.75Å; D94-K130 PolarHBondContact OD1-NZ 2.75Å; D94-K130 IonicContact OD2-NZ 3.74Å; K130-W133 HydrophobicContact CB-CZ2 4.25Å; K130-W133 HydrophobicContact CD-CZ2 4.36Å
131	K	92	Very high	93.2	Very high	115 Å²	115	64.4 Å²	64.4	50%	0.5	33%	0.331	S	S	.	.	S	Bend	trans	-160.2	168.8	175.1	70.5	-171.1	78.6	164.7	0	110.9	L129 W133	L129-K131 WeakPolarHBondContact CB-O 3.43Å; L129-K131 PolarHBondContact O-N 2.88Å; K131-W133 HydrophobicContact CD-CD2 4.25Å; K131-W133 HydrophobicContact CD-CE3 3.78Å; K131-W133 HydrophobicContact CD-CH2 3.6Å; K131-W133 HydrophobicContact CD-CZ2 4.07Å; K131-W133 HydrophobicContact CD-CZ3 3.45Å; K131-W133 VanDerWaalsContact CD-CZ3 3.45Å; K131-W133 HydrophobicContact CG-CD2 3.71Å; K131-W133 HydrophobicContact CG-CE3 3.76Å; K131-W133 HydrophobicContact CG-CG 4.42Å; K131-W133 HydrophobicContact CG-CH2 3.82Å; K131-W133 HydrophobicContact CG-CZ2 3.74Å; K131-W133 HydrophobicContact CG-CZ3 3.84Å; K131-W133 PolarHBondContact O-N 3Å
132	M	90.9	Very high	93	Very high	94 Å²	94	61.6 Å²	61.6	46%	0.463	32%	0.32	S	S	.	.			trans	-73.8	93.5	170.4	-166.7	-171.4	-68.2	0	0	109.7	P119 E121 V124	P119-M132 WeakPolarHBondContact O-CG 3.47Å; E121-M132 HydrophobicContact CG-CE 3.85Å; V124-M132 HydrophobicContact CG2-CB 3.94Å; V124-M132 HydrophobicContact CG2-CG 4.28Å
133	W	94.6	Very high	92.9	Very high	20 Å²	20	60.7 Å²	60.7	8%	0.076	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-66	149.8	179.5	-60.2	109.8	0	0	0	112.3	D91 D94 D95 P119 K130 K131	D91-W133 PolarHBondContact OD1-NE1 2.85Å; D94-W133 HydrophobicContact CB-CH2 3.69Å; D94-W133 HydrophobicContact CB-CZ2 4.35Å; D94-W133 HydrophobicContact CB-CZ3 4.41Å; D94-W133 WeakPolarHBondContact O-CZ3 3.31Å; D95-W133 HydrophobicContact CB-CD2 4.04Å; D95-W133 HydrophobicContact CB-CE3 3.56Å; D95-W133 HydrophobicContact CB-CZ3 3.97Å; P119-W133 WeakPolarHBondContact CD-O 3.4Å; P119-W133 HydrophobicContact CG-CB 4.13Å; P119-W133 WeakPolarHBondContact CG-O 3.35Å; K130-W133 HydrophobicContact CB-CZ2 4.25Å; K130-W133 HydrophobicContact CD-CZ2 4.36Å; K131-W133 HydrophobicContact CD-CD2 4.25Å; K131-W133 HydrophobicContact CD-CE3 3.78Å; K131-W133 HydrophobicContact CD-CH2 3.6Å; K131-W133 HydrophobicContact CD-CZ2 4.07Å; K131-W133 HydrophobicContact CD-CZ3 3.45Å; K131-W133 VanDerWaalsContact CD-CZ3 3.45Å; K131-W133 HydrophobicContact CG-CD2 3.71Å; K131-W133 HydrophobicContact CG-CE3 3.76Å; K131-W133 HydrophobicContact CG-CG 4.42Å; K131-W133 HydrophobicContact CG-CH2 3.82Å; K131-W133 HydrophobicContact CG-CZ2 3.74Å; K131-W133 HydrophobicContact CG-CZ3 3.84Å; K131-W133 PolarHBondContact O-N 3Å
134	K	88.4	Confident	92.6	Very high	164 Å²	164	60.1 Å²	60.1	71%	0.713	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-68.5	164	177.3	-64.8	-174.6	-179	-180	0	111	P136	K134-P136 WeakPolarHBondContact O-CD 3.17Å
135	S	89.6	Confident	92.1	Very high	38 Å²	38	59.7 Å²	59.7	27%	0.266	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-62.6	126.4	174.2	-174.5	0	0	0	0	111.3	T118 N137 G138 T139	T118-S135 WeakPolarHBondContact OG1-CB 3.28Å; T118-S135 PolarHBondContact OG1-OG 3.19Å; S135-N137 VanDerWaalsContact C-N 3.25Å; S135-N137 PolarHBondContact O-N 3.34Å; S135-G138 PolarHBondContact O-N 2.99Å; S135-G138 VanDerWaalsContact O-N 3.09Å; S135-T139 PolarHBondContact O-N 2.97Å; S135-T139 PolarHBondContact O-OG1 2.96Å
136	P	94.8	Very high	91.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-39.4	175.2	-28.3	37.3	0	0	0	112.7	T98 T116 K134 G138 T139 I140	T98-P136 HydrophobicContact CG2-CB 3.89Å; T116-P136 HydrophobicContact CG2-CG 4.48Å; K134-P136 WeakPolarHBondContact O-CD 3.17Å; P136-G138 VanDerWaalsContact C-N 3.32Å; P136-G138 PolarHBondContact O-N 3.46Å; P136-T139 PolarHBondContact O-N 2.9Å; P136-I140 WeakPolarHBondContact O-CB 3.42Å; P136-I140 WeakPolarHBondContact O-CD1 3.39Å; P136-I140 VanDerWaalsContact O-CG1 3.28Å; P136-I140 WeakPolarHBondContact O-CG1 3.33Å; P136-I140 PolarHBondContact O-N 2.98Å
137	N	90.3	Very high	91.5	Very high	34 Å²	34	49 Å²	49	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-43.3	177.1	-70.3	1.4	0	0	0	111.2	K113 S135 R141 E346	K113-N137 WeakPolarHBondContact CE-OD1 3.29Å; K113-N137 PolarHBondContact NZ-OD1 3.4Å; S135-N137 VanDerWaalsContact C-N 3.25Å; S135-N137 PolarHBondContact O-N 3.34Å; N137-R141 VanDerWaalsContact O-CB 3.29Å; N137-R141 WeakPolarHBondContact O-CB 3.41Å; N137-R141 VanDerWaalsContact O-CD 3.29Å; N137-R141 WeakPolarHBondContact O-CD 3.45Å; N137-R141 WeakPolarHBondContact O-CG 3.28Å; N137-R141 PolarHBondContact O-N 2.89Å; N137-E346 PolarHBondContact ND2-OE2 3Å; N137-E346 PolarHBondContact OD1-OE2 3.36Å
138	G	87.1	Confident	91.3	Very high	27 Å²	27	46 Å²	46	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-47.9	175	0	0	0	0	0	112	S135 P136 R141 N142	S135-G138 PolarHBondContact O-N 2.99Å; S135-G138 VanDerWaalsContact O-N 3.09Å; P136-G138 VanDerWaalsContact C-N 3.32Å; P136-G138 PolarHBondContact O-N 3.46Å; G138-R141 PolarHBondContact O-N 2.93Å; G138-N142 WeakPolarHBondContact O-CB 3.29Å; G138-N142 PolarHBondContact O-N 2.88Å; G138-N142 PolarHBondContact O-ND2 3.32Å; G138-N142 VanDerWaalsContact O-ND2 3.11Å; G138-N142 PolarHBondContact O-OD1 3.44Å
139	T	90.4	Very high	91.3	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.129	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-48.1	178.5	-61.3	0	0	0	0	112.1	T98 I99 S135 P136 N142 I143	T98-T139 HydrophobicContact CG2-CG2 3.74Å; I99-T139 HydrophobicContact CG1-CG2 4.03Å; S135-T139 PolarHBondContact O-N 2.97Å; S135-T139 PolarHBondContact O-OG1 2.96Å; P136-T139 PolarHBondContact O-N 2.9Å; T139-N142 WeakPolarHBondContact O-CB 3.33Å; T139-N142 PolarHBondContact O-N 3.47Å; T139-I143 HydrophobicContact CG2-CD1 3.99Å; T139-I143 WeakPolarHBondContact O-CG1 3.34Å; T139-I143 PolarHBondContact O-N 3.26Å; T139-I143 VanDerWaalsContact O-N 3.09Å
140	I	94	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-48.7	179.5	-67.8	160.1	0	0	0	110.6	M54 L85 T98 A102 K113 P136 N142 I143 L144	M54-I140 HydrophobicContact CE-CD1 4.24Å; M54-I140 HydrophobicContact SD-CD1 3.61Å; L85-I140 HydrophobicContact CD1-CD1 3.98Å; T98-I140 HydrophobicContact CG2-CG1 4.26Å; A102-I140 HydrophobicContact CB-CB 4.39Å; A102-I140 HydrophobicContact CB-CG1 4.13Å; A102-I140 HydrophobicContact CB-CG2 4.34Å; K113-I140 HydrophobicContact CD-CD1 3.88Å; P136-I140 WeakPolarHBondContact O-CB 3.42Å; P136-I140 WeakPolarHBondContact O-CD1 3.39Å; P136-I140 VanDerWaalsContact O-CG1 3.28Å; P136-I140 WeakPolarHBondContact O-CG1 3.33Å; P136-I140 PolarHBondContact O-N 2.98Å; I140-N142 VanDerWaalsContact C-N 3.29Å; I140-N142 PolarHBondContact O-N 3.38Å; I140-I143 PolarHBondContact O-N 3.4Å; I140-I143 VanDerWaalsContact O-N 3.1Å; I140-L144 HydrophobicContact CG2-CD1 3.57Å; I140-L144 HydrophobicContact CG2-CG 4.05Å; I140-L144 WeakPolarHBondContact O-CB 3.44Å; I140-L144 WeakPolarHBondContact O-CG 3.16Å; I140-L144 PolarHBondContact O-N 3.08Å
141	R	89.1	Confident	91.1	Very high	29 Å²	29	36.9 Å²	36.9	11%	0.109	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-36.2	178.2	-69.5	166.5	-170.6	176.5	2.1	112.3	N137 G138 I143 G145 L335 E346	N137-R141 VanDerWaalsContact O-CB 3.29Å; N137-R141 WeakPolarHBondContact O-CB 3.41Å; N137-R141 VanDerWaalsContact O-CD 3.29Å; N137-R141 WeakPolarHBondContact O-CD 3.45Å; N137-R141 WeakPolarHBondContact O-CG 3.28Å; N137-R141 PolarHBondContact O-N 2.89Å; G138-R141 PolarHBondContact O-N 2.93Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 2.75Å; R141-G145 VanDerWaalsContact O-CA 3.28Å; R141-G145 WeakPolarHBondContact O-CA 3.29Å; R141-G145 PolarHBondContact O-N 2.77Å; R141-L335 HydrophobicContact CG-CD1 4.29Å; R141-L335 HydrophobicContact CG-CD2 4.02Å; R141-E346 IonicContact CZ-OE1 2.68Å; R141-E346 IonicContact NH2-OE1 2.64Å; R141-E346 PolarHBondContact NH2-OE1 2.75Å
142	N	86.1	Confident	91.2	Very high	84 Å²	84	31.7 Å²	31.7	45%	0.449	18%	0.175	S	C	.	.	H	α-helix	trans	-65.8	-35.7	175.6	-68.3	-20.8	0	0	0	112.5	G138 T139 I140 R181	G138-N142 WeakPolarHBondContact O-CB 3.29Å; G138-N142 PolarHBondContact O-N 2.88Å; G138-N142 PolarHBondContact O-ND2 3.32Å; G138-N142 VanDerWaalsContact O-ND2 3.11Å; G138-N142 PolarHBondContact O-OD1 3.44Å; T139-N142 WeakPolarHBondContact O-CB 3.33Å; T139-N142 PolarHBondContact O-N 3.47Å; I140-N142 VanDerWaalsContact C-N 3.29Å; I140-N142 PolarHBondContact O-N 3.38Å; N142-R181 PolarHBondContact OD1-NH2 3.3Å
143	I	90.9	Very high	91.4	Very high	41 Å²	41	27.8 Å²	27.8	21%	0.21	16%	0.156	C	C	.	.	H	α-helix	trans	-77.7	-50	179.3	-68.9	166.1	0	0	0	110.1	I99 A102 L103 K106 T139 I140 R141	I99-I143 HydrophobicContact CB-CD1 4.24Å; I99-I143 HydrophobicContact CG1-CD1 4.26Å; I99-I143 HydrophobicContact CG2-CD1 3.97Å; A102-I143 HydrophobicContact CB-CB 3.86Å; A102-I143 HydrophobicContact CB-CD1 3.71Å; A102-I143 HydrophobicContact CB-CG1 4.4Å; A102-I143 HydrophobicContact CB-CG2 3.73Å; L103-I143 HydrophobicContact CD2-CG2 4.13Å; K106-I143 HydrophobicContact CD-CG2 4.48Å; K106-I143 WeakPolarHBondContact CE-O 3.44Å; K106-I143 PolarHBondContact NZ-O 3.43Å; T139-I143 HydrophobicContact CG2-CD1 3.99Å; T139-I143 WeakPolarHBondContact O-CG1 3.34Å; T139-I143 PolarHBondContact O-N 3.26Å; T139-I143 VanDerWaalsContact O-N 3.09Å; I140-I143 PolarHBondContact O-N 3.4Å; I140-I143 VanDerWaalsContact O-N 3.1Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 2.75Å
144	L	90	Very high	91.3	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-72	-37.7	-176.2	-64.7	-173.5	0	0	0	112.5	A102 T105 K106 I140 L335 T342 E344	A102-L144 WeakPolarHBondContact O-CD2 3.42Å; T105-L144 HydrophobicContact CG2-CD1 3.78Å; T105-L144 HydrophobicContact CG2-CD2 4.19Å; K106-L144 HydrophobicContact CD-CD2 4.42Å; K106-L144 HydrophobicContact CG-CD2 3.43Å; K106-L144 VanDerWaalsContact CG-CD2 3.43Å; I140-L144 HydrophobicContact CG2-CD1 3.57Å; I140-L144 HydrophobicContact CG2-CG 4.05Å; I140-L144 WeakPolarHBondContact O-CB 3.44Å; I140-L144 WeakPolarHBondContact O-CG 3.16Å; I140-L144 PolarHBondContact O-N 3.08Å; L144-L335 HydrophobicContact CB-CD2 4.01Å; L144-L335 HydrophobicContact CD1-CD2 3.8Å; L144-L335 HydrophobicContact CG-CD2 4.49Å; L144-T342 HydrophobicContact CD2-CG2 4.48Å; L144-E344 HydrophobicContact CD1-CB 4.22Å
145	G	83.4	Confident	91.6	Very high	30 Å²	30	21.6 Å²	21.6	31%	0.309	13%	0.132	S	C	.	.			trans	69.2	-177.1	-162.1	0	0	0	0	0	111.5	R141	R141-G145 VanDerWaalsContact O-CA 3.28Å; R141-G145 WeakPolarHBondContact O-CA 3.29Å; R141-G145 PolarHBondContact O-N 2.77Å
146	G	86.3	Confident	91.8	Very high	19 Å²	19	27.4 Å²	27.4	20%	0.196	16%	0.155	C	C	.	.			trans	105.1	-166.3	173.4	0	0	0	0	0	115.3	V336	G146-V336 VanDerWaalsContact CA-O 3.26Å; G146-V336 WeakPolarHBondContact CA-O 3.26Å
147	T	94.1	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.8	-167.3	-53.5	0	0	0	0	110.3	F149 F232 S235 L335 V336	T147-F149 HydrophobicContact CG2-CD2 4.2Å; T147-F149 HydrophobicContact CG2-CE1 4.21Å; T147-F149 HydrophobicContact CG2-CE2 3.62Å; T147-F149 HydrophobicContact CG2-CZ 3.62Å; T147-F232 HydrophobicContact CG2-CD2 3.52Å; T147-F232 HydrophobicContact CG2-CE2 3.57Å; T147-F232 WeakPolarHBondContact OG1-CD2 3.1Å; T147-S235 WeakPolarHBondContact OG1-CB 3.21Å; T147-S235 PolarHBondContact OG1-OG 2.86Å; T147-L335 CarbonylContact O-C 3.6Å; T147-L335 WeakPolarHBondContact O-CA 3.4Å; T147-V336 PolarHBondContact N-O 2.75Å; T147-V336 PolarHBondContact O-N 3.22Å
148	V	94.2	Very high	92.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.7	177.4	-179.7	0	0	0	0	109.2	R150 G172 R173 A175 S333 L335	V148-R150 HydrophobicContact CG1-CG 4.35Å; V148-G172 CarbonylContact O-C 3.58Å; V148-G172 WeakPolarHBondContact O-CA 3.46Å; V148-R173 HydrophobicContact CB-CB 4.44Å; V148-R173 PolarHBondContact N-O 2.88Å; V148-R173 VanDerWaalsContact N-O 3.15Å; V148-R173 PolarHBondContact O-N 3.3Å; V148-A175 HydrophobicContact CG2-CB 3.98Å; V148-S333 VanDerWaalsContact CG1-OG 3.24Å; V148-S333 WeakPolarHBondContact CG1-OG 3.36Å; V148-L335 HydrophobicContact CG2-CB 4.39Å; V148-L335 HydrophobicContact CG2-CD1 3.84Å
149	F	96.4	Very high	92.5	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.1	174.1	-66.9	-85.8	0	0	0	110.6	T147 T170 I171 Y239 V306 S333 V334 V336	T147-F149 HydrophobicContact CG2-CD2 4.2Å; T147-F149 HydrophobicContact CG2-CE1 4.21Å; T147-F149 HydrophobicContact CG2-CE2 3.62Å; T147-F149 HydrophobicContact CG2-CZ 3.62Å; F149-T170 HydrophobicContact CB-CG2 4.23Å; F149-T170 HydrophobicContact CD1-CG2 4.16Å; F149-I171 CarbonylContact C-O 3.49Å; F149-I171 VanDerWaalsContact CA-O 3.24Å; F149-I171 WeakPolarHBondContact CA-O 3.32Å; F149-Y239 HydrophobicContact CB-CD2 4.35Å; F149-Y239 HydrophobicContact CB-CE2 3.87Å; F149-Y239 AromaticContact CD1-CD1 3.77Å; F149-Y239 HydrophobicContact CD1-CD1 3.77Å; F149-Y239 AromaticContact CD1-CD2 3.86Å; F149-Y239 HydrophobicContact CD1-CD2 3.86Å; F149-Y239 HydrophobicContact CD1-CE1 4.05Å; F149-Y239 HydrophobicContact CD1-CE2 4.11Å; F149-Y239 AromaticContact CD1-CG 3.67Å; F149-Y239 HydrophobicContact CD1-CG 3.67Å; F149-Y239 AromaticContact CD2-CD2 3.77Å; F149-Y239 HydrophobicContact CD2-CD2 3.77Å; F149-Y239 HydrophobicContact CD2-CE2 4.1Å; F149-Y239 HydrophobicContact CD2-CG 4.3Å; F149-Y239 AromaticContact CE1-CD1 3.9Å; F149-Y239 HydrophobicContact CE1-CD1 3.9Å; F149-Y239 HydrophobicContact CE1-CD2 4.06Å; F149-Y239 AromaticContact CE1-CG 3.59Å; F149-Y239 HydrophobicContact CE1-CG 3.59Å; F149-Y239 AromaticContact CE2-CD2 3.97Å; F149-Y239 HydrophobicContact CE2-CD2 3.97Å; F149-Y239 HydrophobicContact CE2-CG 4.21Å; F149-Y239 HydrophobicContact CG-CD1 4.38Å; F149-Y239 AromaticContact CG-CD2 3.7Å; F149-Y239 HydrophobicContact CG-CD2 3.7Å; F149-Y239 HydrophobicContact CG-CE1 4.44Å; F149-Y239 AromaticContact CG-CE2 3.75Å; F149-Y239 HydrophobicContact CG-CE2 3.75Å; F149-Y239 HydrophobicContact CG-CG 4.03Å; F149-Y239 HydrophobicContact CZ-CD2 4.12Å; F149-Y239 AromaticContact CZ-CG 3.88Å; F149-Y239 HydrophobicContact CZ-CG 3.88Å; F149-V306 HydrophobicContact CD1-CG1 4.49Å; F149-V306 HydrophobicContact CE1-CG1 4.09Å; F149-S333 CarbonylContact O-C 3.59Å; F149-S333 WeakPolarHBondContact O-CA 3.46Å; F149-V334 PolarHBondContact N-O 3.32Å; F149-V334 PolarHBondContact O-N 3.36Å; F149-V336 HydrophobicContact CD2-CB 4.01Å; F149-V336 HydrophobicContact CD2-CG2 3.7Å; F149-V336 HydrophobicContact CE2-CB 3.91Å; F149-V336 HydrophobicContact CE2-CG2 4.05Å
150	R	95.7	Very high	92.7	Very high	24 Å²	24	32.1 Å²	32.1	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.9	174.5	-75.3	179.7	171.4	-166	-7.7	110.1	V148 T170 I171 S318 D319 M331 T332 A348	V148-R150 HydrophobicContact CG1-CG 4.35Å; R150-T170 CarbonylContact O-C 3.52Å; R150-T170 WeakPolarHBondContact O-CA 3.45Å; R150-I171 PolarHBondContact N-O 2.93Å; R150-I171 PolarHBondContact O-N 2.99Å; R150-S318 VanDerWaalsContact CD-CB 3.44Å; R150-S318 WeakPolarHBondContact CD-OG 3.23Å; R150-S318 PolarHBondContact NH1-OG 3.3Å; R150-D319 IonicContact NH1-OD1 3.35Å; R150-D319 PolarHBondContact NH1-OD1 2.91Å; R150-M331 HydrophobicContact CB-CG 4.29Å; R150-M331 HydrophobicContact CB-SD 3.87Å; R150-T332 VanDerWaalsContact CA-O 3.26Å; R150-T332 WeakPolarHBondContact CA-O 3.5Å; R150-A348 PolarHBondContact NH2-O 3.26Å
151	E	94.3	Very high	92.6	Very high	17 Å²	17	38 Å²	38	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.7	-178.5	-178.3	170.4	112.4	0	0	110.8	P168 T170 K243 M331 T332	E151-P168 HydrophobicContact CG-CB 4.18Å; E151-T170 HydrophobicContact CB-CG2 3.99Å; E151-T170 WeakPolarHBondContact CG-OG1 3.27Å; E151-T170 PolarHBondContact OE2-OG1 3.44Å; E151-K243 IonicContact OE1-NZ 3.92Å; E151-K243 PolarHBondContact OE1-NZ 3.03Å; E151-K243 VanDerWaalsContact OE2-CE 3.31Å; E151-K243 WeakPolarHBondContact OE2-CE 3.37Å; E151-K243 IonicContact OE2-NZ 3.71Å; E151-K243 PolarHBondContact OE2-NZ 2.86Å; E151-M331 PolarHBondContact N-SD 3.32Å; E151-M331 VanDerWaalsContact N-SD 3.35Å; E151-M331 VanDerWaalsContact O-SD 3.34Å; E151-T332 PolarHBondContact N-O 3.33Å; E151-T332 PolarHBondContact O-N 2.9Å; E151-T332 PolarHBondContact O-OG1 3.27Å
152	P	94.9	Very high	92.9	Very high	6 Å²	6	38 Å²	38	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	149.4	-179.6	30.2	-35.2	0	0	0	111.9	P168 I169 F325 L330 M331	P152-P168 HydrophobicContact CG-CB 3.96Å; P152-I169 WeakPolarHBondContact CD-O 3.31Å; P152-F325 HydrophobicContact CB-CB 3.6Å; P152-F325 HydrophobicContact CB-CD1 3.93Å; P152-F325 HydrophobicContact CB-CD2 3.86Å; P152-F325 HydrophobicContact CB-CG 3.52Å; P152-F325 HydrophobicContact CG-CB 4.3Å; P152-F325 HydrophobicContact CG-CD1 3.84Å; P152-F325 HydrophobicContact CG-CD2 3.63Å; P152-F325 HydrophobicContact CG-CE1 4.01Å; P152-F325 HydrophobicContact CG-CE2 3.81Å; P152-F325 HydrophobicContact CG-CG 3.65Å; P152-F325 HydrophobicContact CG-CZ 4Å; P152-L330 CarbonylContact C-O 3.51Å; P152-L330 VanDerWaalsContact CA-O 3.29Å; P152-L330 WeakPolarHBondContact CA-O 3.34Å; P152-M331 HydrophobicContact CB-CE 3.86Å; P152-M331 HydrophobicContact CB-SD 4.42Å; P152-M331 HydrophobicContact CG-CE 4.41Å; P152-M331 VanDerWaalsContact N-SD 3.42Å
153	I	94	Very high	93.2	Very high	11 Å²	11	39 Å²	39	6%	0.056	22%	0.217	C	C	.	.			trans	-95.8	112	174.1	-56.2	169.7	0	0	0	107.4	L330 T332 I370 F374 V404	I153-L330 HydrophobicContact CB-CB 4.22Å; I153-L330 HydrophobicContact CB-CD2 4.3Å; I153-L330 HydrophobicContact CG2-CD2 4.41Å; I153-L330 PolarHBondContact N-O 2.78Å; I153-T332 HydrophobicContact CD1-CG2 3.84Å; I153-T332 HydrophobicContact CG1-CG2 3.87Å; I153-I370 HydrophobicContact CD1-CG2 3.65Å; I153-I370 HydrophobicContact CG2-CG2 4.44Å; I153-F374 HydrophobicContact CD1-CB 4.04Å; I153-F374 HydrophobicContact CD1-CD1 3.52Å; I153-F374 HydrophobicContact CD1-CD2 3.71Å; I153-F374 HydrophobicContact CD1-CE1 3.77Å; I153-F374 HydrophobicContact CD1-CE2 3.95Å; I153-F374 HydrophobicContact CD1-CG 3.47Å; I153-F374 VanDerWaalsContact CD1-CG 3.47Å; I153-F374 HydrophobicContact CD1-CZ 3.97Å; I153-F374 HydrophobicContact CG1-CD1 3.89Å; I153-F374 HydrophobicContact CG1-CE1 3.83Å; I153-F374 HydrophobicContact CG1-CG 4.35Å; I153-F374 HydrophobicContact CG1-CZ 4.25Å; I153-F374 HydrophobicContact CG2-CE1 4.03Å; I153-F374 HydrophobicContact CG2-CE2 4.32Å; I153-F374 HydrophobicContact CG2-CZ 3.72Å; I153-V404 HydrophobicContact CG2-CG2 4Å
154	I	93.3	Very high	93.4	Very high	51 Å²	51	38.9 Å²	38.9	26%	0.262	23%	0.226	S	C	.	.			trans	-88.1	124.9	-176	-59.7	-174.7	0	0	0	110.1	P168 F325	I154-P168 HydrophobicContact CD1-CB 4.3Å; I154-P168 HydrophobicContact CD1-CG 3.6Å; I154-P168 HydrophobicContact CG1-CG 4.26Å; I154-F325 HydrophobicContact CD1-CE1 4.18Å; I154-F325 HydrophobicContact CG1-CD1 4.39Å; I154-F325 HydrophobicContact CG1-CE1 4.49Å
155	C	95	Very high	93.7	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.02	22%	0.223	C	C	.	.			trans	-113.7	129.3	164.9	-59.9	0	0	0	0	108	N157 I158 V407 E408	C155-N157 VanDerWaalsContact C-N 3.27Å; C155-N157 PolarHBondContact O-N 3.14Å; C155-I158 HydrophobicContact CB-CB 4.32Å; C155-I158 HydrophobicContact CB-CG1 3.69Å; C155-I158 PolarHBondContact O-N 2.67Å; C155-I158 VanDerWaalsContact O-N 3.12Å; C155-V407 HydrophobicContact CB-CB 4.39Å; C155-V407 HydrophobicContact CB-CG1 3.88Å; C155-E408 HydrophobicContact CB-CG 4.37Å
156	Q	94.1	Very high	94.1	Very high	160 Å²	160	40.8 Å²	40.8	75%	0.748	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-33	-170.8	-72.1	172	58.1	0	0	113.7	I158 E408	Q156-I158 VanDerWaalsContact C-N 3.32Å; Q156-E408 VanDerWaalsContact CB-OE1 3.3Å; Q156-E408 WeakPolarHBondContact CB-OE1 3.36Å; Q156-E408 WeakPolarHBondContact CG-OE1 3.39Å; Q156-E408 PolarHBondContact N-OE1 3.32Å; Q156-E408 PolarHBondContact NE2-OE1 3.49Å
157	N	95.3	Very high	94.5	Very high	50 Å²	50	44.5 Å²	44.5	27%	0.267	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.2	-179.5	67.6	-26.6	0	0	0	114.1	C155 P159 V407	C155-N157 VanDerWaalsContact C-N 3.27Å; C155-N157 PolarHBondContact O-N 3.14Å; N157-P159 WeakPolarHBondContact O-CD 3.5Å; N157-V407 PolarHBondContact ND2-O 2.97Å
158	I	96.5	Very high	94.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	25%	0.249	C	C	.	.	S	Bend	trans	-96.4	112.9	175.4	-57.3	-58	0	0	0	109.2	C155 Q156 L330 V407 M412 L416 C419 I420	C155-I158 HydrophobicContact CB-CB 4.32Å; C155-I158 HydrophobicContact CB-CG1 3.69Å; C155-I158 PolarHBondContact O-N 2.67Å; C155-I158 VanDerWaalsContact O-N 3.12Å; Q156-I158 VanDerWaalsContact C-N 3.32Å; I158-L330 HydrophobicContact CG1-CD1 4.49Å; I158-L330 HydrophobicContact CG2-CD1 4.42Å; I158-V407 HydrophobicContact CD1-CG1 3.94Å; I158-V407 HydrophobicContact CG1-CG1 3.96Å; I158-M412 HydrophobicContact CD1-SD 4.17Å; I158-L416 HydrophobicContact CD1-CB 3.85Å; I158-L416 HydrophobicContact CD1-CD2 4.49Å; I158-C419 HydrophobicContact CG2-CB 4.04Å; I158-I420 HydrophobicContact CD1-CD1 4.01Å; I158-I420 HydrophobicContact CD1-CG1 4.18Å
159	P	95.1	Very high	94.7	Very high	67 Å²	67	45.2 Å²	45.2	44%	0.435	25%	0.249	S	C	.	.			trans	-62.2	141	176.2	-21.6	33.4	0	0	0	111.2	N157	N157-P159 WeakPolarHBondContact O-CD 3.5Å
160	R	94.4	Very high	94.8	Very high	61 Å²	61	45.2 Å²	45.2	23%	0.23	25%	0.249	C	C	.	.			trans	-96.2	145	172.7	-66.8	168.4	-70.2	-76.7	3.4	109.1	V162 W165 G324 F325	R160-V162 PolarHBondContact O-N 2.72Å; R160-W165 WeakPolarHBondContact CD-O 3.46Å; R160-W165 PolarHBondContact NE-O 3.01Å; R160-G324 CarbonylContact C-O 3.59Å; R160-G324 WeakPolarHBondContact CA-O 3.46Å; R160-G324 WeakPolarHBondContact CB-O 3.19Å; R160-F325 HydrophobicContact CG-CD1 4.17Å
161	L	91.3	Very high	95	Very high	124 Å²	124	44.1 Å²	44.1	65%	0.649	25%	0.245	S	C	*	.	S	Bend	trans	-65.7	-30.4	177.5	-63.7	-177.3	0	0	0	111.9	P163 Q323 G324	L161-P163 WeakPolarHBondContact O-CD 3.27Å; L161-Q323 HydrophobicContact CD1-CG 4.14Å; L161-G324 PolarHBondContact N-O 3.29Å
162	V	94.9	Very high	95.1	Very high	29 Å²	29	43.3 Å²	43.3	18%	0.176	24%	0.241	C	C	.	.	S	Bend	trans	-107.7	99.3	169.8	-177.2	0	0	0	0	107.7	R160 G164 W165 L299	R160-V162 PolarHBondContact O-N 2.72Å; V162-G164 PolarHBondContact O-N 2.68Å; V162-G164 VanDerWaalsContact O-N 3.14Å; V162-W165 HydrophobicContact CB-CD2 3.57Å; V162-W165 HydrophobicContact CB-CE3 3.85Å; V162-W165 HydrophobicContact CB-CG 4.01Å; V162-W165 HydrophobicContact CB-CH2 4.23Å; V162-W165 HydrophobicContact CB-CZ2 3.98Å; V162-W165 HydrophobicContact CB-CZ3 4.18Å; V162-W165 HydrophobicContact CG1-CD2 3.92Å; V162-W165 HydrophobicContact CG1-CG 3.98Å; V162-W165 HydrophobicContact CG1-CZ2 4.22Å; V162-W165 HydrophobicContact CG2-CD2 4.2Å; V162-W165 HydrophobicContact CG2-CE3 4.24Å; V162-W165 HydrophobicContact CG2-CH2 3.75Å; V162-W165 HydrophobicContact CG2-CZ2 3.71Å; V162-W165 HydrophobicContact CG2-CZ3 4.04Å; V162-W165 PolarHBondContact O-N 2.76Å; V162-W165 VanDerWaalsContact O-N 3.13Å; V162-L299 HydrophobicContact CG2-CD2 3.98Å
163	P	93.4	Very high	95.2	Very high	104 Å²	104	43.8 Å²	43.8	68%	0.675	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28	-171.8	-26.8	35.8	0	0	0	114.1	L161 W165	L161-P163 WeakPolarHBondContact O-CD 3.27Å; P163-W165 PolarHBondContact O-N 2.83Å
164	G	94.4	Very high	95.3	Very high	39 Å²	39	43.2 Å²	43.2	40%	0.402	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.2	179.1	0	0	0	0	0	114.5	V162 T166 S302	V162-G164 PolarHBondContact O-N 2.68Å; V162-G164 VanDerWaalsContact O-N 3.14Å; G164-T166 PolarHBondContact O-N 3.34Å; G164-S302 WeakPolarHBondContact O-CA 3.4Å
165	W	96.2	Very high	95	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	23%	0.233	C	C	.	.			trans	-73.5	75.1	178.6	-66.9	-12	0	0	0	111.7	R160 V162 P163 Q167 I169 V298 L299 L321 F325	R160-W165 WeakPolarHBondContact CD-O 3.46Å; R160-W165 PolarHBondContact NE-O 3.01Å; V162-W165 HydrophobicContact CB-CD2 3.57Å; V162-W165 HydrophobicContact CB-CE3 3.85Å; V162-W165 HydrophobicContact CB-CG 4.01Å; V162-W165 HydrophobicContact CB-CH2 4.23Å; V162-W165 HydrophobicContact CB-CZ2 3.98Å; V162-W165 HydrophobicContact CB-CZ3 4.18Å; V162-W165 HydrophobicContact CG1-CD2 3.92Å; V162-W165 HydrophobicContact CG1-CG 3.98Å; V162-W165 HydrophobicContact CG1-CZ2 4.22Å; V162-W165 HydrophobicContact CG2-CD2 4.2Å; V162-W165 HydrophobicContact CG2-CE3 4.24Å; V162-W165 HydrophobicContact CG2-CH2 3.75Å; V162-W165 HydrophobicContact CG2-CZ2 3.71Å; V162-W165 HydrophobicContact CG2-CZ3 4.04Å; V162-W165 PolarHBondContact O-N 2.76Å; V162-W165 VanDerWaalsContact O-N 3.13Å; P163-W165 PolarHBondContact O-N 2.83Å; W165-Q167 VanDerWaalsContact C-N 3.33Å; W165-I169 HydrophobicContact CD2-CD1 4.12Å; W165-I169 HydrophobicContact CG-CD1 4.28Å; W165-I169 HydrophobicContact CZ2-CD1 4.48Å; W165-V298 HydrophobicContact CZ2-CG1 3.92Å; W165-V298 PolarHBondContact NE1-O 3.43Å; W165-L299 HydrophobicContact CZ2-CD2 4.13Å; W165-L321 HydrophobicContact CH2-CD2 3.77Å; W165-L321 HydrophobicContact CZ2-CD2 4.31Å; W165-L321 HydrophobicContact CZ3-CD2 3.91Å; W165-F325 HydrophobicContact CB-CE1 4.07Å; W165-F325 HydrophobicContact CB-CZ 3.83Å; W165-F325 HydrophobicContact CD2-CE2 4.19Å; W165-F325 HydrophobicContact CD2-CZ 4.26Å; W165-F325 AromaticContact CE3-CD2 3.93Å; W165-F325 HydrophobicContact CE3-CD2 3.93Å; W165-F325 AromaticContact CE3-CE2 3.55Å; W165-F325 HydrophobicContact CE3-CE2 3.55Å; W165-F325 AromaticContact CE3-CZ 3.93Å; W165-F325 HydrophobicContact CE3-CZ 3.93Å; W165-F325 HydrophobicContact CG-CZ 4.27Å; W165-F325 HydrophobicContact CZ3-CD2 4.21Å; W165-F325 HydrophobicContact CZ3-CE2 4.08Å
166	T	91.6	Very high	94.7	Very high	83 Å²	83	43.3 Å²	43.3	51%	0.509	24%	0.24	S	C	.	.			trans	-78	-18.4	-179.7	52	0	0	0	0	113.6	G164 S302	G164-T166 PolarHBondContact O-N 3.34Å; T166-S302 PolarHBondContact N-O 3.44Å; T166-S302 PolarHBondContact OG1-O 3.3Å
167	Q	95.2	Very high	94.5	Very high	96 Å²	96	35.8 Å²	35.8	45%	0.449	21%	0.205	S	C	.	.	S	Bend	trans	-123.2	156.3	178.8	-61.8	-74.6	8.3	0	0	110.2	W165 S302 A304	W165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-S302 WeakPolarHBondContact CB-O 3.18Å; Q167-S302 PolarHBondContact N-O 3.48Å; Q167-A304 HydrophobicContact CB-CB 3.68Å; Q167-A304 HydrophobicContact CG-CB 3.97Å
168	P	95.7	Very high	94.5	Very high	17 Å²	17	33.4 Å²	33.4	11%	0.11	19%	0.192	C	C	.	.			trans	-62.9	154	177.7	-16	27.5	0	0	0	112	E151 P152 I154 W245 A304	E151-P168 HydrophobicContact CG-CB 4.18Å; P152-P168 HydrophobicContact CG-CB 3.96Å; I154-P168 HydrophobicContact CD1-CB 4.3Å; I154-P168 HydrophobicContact CD1-CG 3.6Å; I154-P168 HydrophobicContact CG1-CG 4.26Å; P168-W245 HydrophobicContact CB-CH2 3.83Å; P168-W245 HydrophobicContact CB-CZ3 4.33Å; P168-W245 HydrophobicContact CG-CH2 3.88Å; P168-A304 WeakPolarHBondContact O-CA 3.35Å; P168-A304 PolarHBondContact O-N 3.26Å
169	I	98.1	Very high	94.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.1	166.5	-63.6	162.2	0	0	0	106.8	P152 W165 V298 F305 L321 F325	P152-I169 WeakPolarHBondContact CD-O 3.31Å; W165-I169 HydrophobicContact CD2-CD1 4.12Å; W165-I169 HydrophobicContact CG-CD1 4.28Å; W165-I169 HydrophobicContact CZ2-CD1 4.48Å; I169-V298 HydrophobicContact CD1-CG1 3.99Å; I169-F305 HydrophobicContact CB-CZ 4.4Å; I169-F305 HydrophobicContact CD1-CE1 4.22Å; I169-F305 HydrophobicContact CD1-CZ 3.88Å; I169-F305 HydrophobicContact CG1-CE1 3.89Å; I169-F305 HydrophobicContact CG1-CE2 4.36Å; I169-F305 HydrophobicContact CG1-CZ 3.74Å; I169-F305 HydrophobicContact CG2-CD2 4.19Å; I169-F305 HydrophobicContact CG2-CE2 3.55Å; I169-F305 HydrophobicContact CG2-CZ 3.77Å; I169-L321 HydrophobicContact CB-CD1 3.94Å; I169-L321 HydrophobicContact CB-CD2 4.27Å; I169-L321 HydrophobicContact CD1-CD2 3.98Å; I169-L321 HydrophobicContact CG2-CD1 3.58Å; I169-L321 HydrophobicContact CG2-CD2 4.36Å; I169-F325 HydrophobicContact CB-CE2 4.36Å; I169-F325 HydrophobicContact CD1-CE2 4.27Å; I169-F325 HydrophobicContact CD1-CZ 4.39Å; I169-F325 HydrophobicContact CG1-CE2 4.45Å; I169-F325 HydrophobicContact CG1-CZ 4.38Å
170	T	98.2	Very high	93.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.3	-177.7	-53.2	0	0	0	0	110.2	F149 R150 E151 Y239 F305 V306 W307	F149-T170 HydrophobicContact CB-CG2 4.23Å; F149-T170 HydrophobicContact CD1-CG2 4.16Å; R150-T170 CarbonylContact O-C 3.52Å; R150-T170 WeakPolarHBondContact O-CA 3.45Å; E151-T170 HydrophobicContact CB-CG2 3.99Å; E151-T170 WeakPolarHBondContact CG-OG1 3.27Å; E151-T170 PolarHBondContact OE2-OG1 3.44Å; T170-Y239 HydrophobicContact CG2-CD1 4.42Å; T170-Y239 HydrophobicContact CG2-CE1 3.58Å; T170-F305 PolarHBondContact N-O 3.32Å; T170-F305 VanDerWaalsContact N-O 3.14Å; T170-V306 CarbonylContact O-C 3.6Å; T170-V306 WeakPolarHBondContact O-CA 3.23Å; T170-W307 PolarHBondContact O-N 2.92Å
171	I	98.3	Very high	93.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.4	174.7	-77.2	175.7	0	0	0	109.4	F149 R150 W307 C309 Q317 L321	F149-I171 CarbonylContact C-O 3.49Å; F149-I171 VanDerWaalsContact CA-O 3.24Å; F149-I171 WeakPolarHBondContact CA-O 3.32Å; R150-I171 PolarHBondContact N-O 2.93Å; R150-I171 PolarHBondContact O-N 2.99Å; I171-W307 CarbonylContact C-O 3.52Å; I171-W307 VanDerWaalsContact CA-O 3.31Å; I171-W307 WeakPolarHBondContact CA-O 3.37Å; I171-W307 HydrophobicContact CD1-CE3 3.85Å; I171-W307 HydrophobicContact CD1-CZ3 4.05Å; I171-W307 HydrophobicContact CG1-CB 4.26Å; I171-W307 HydrophobicContact CG1-CD2 4.28Å; I171-W307 HydrophobicContact CG1-CE3 3.82Å; I171-C309 HydrophobicContact CG2-CB 4.26Å; I171-Q317 VanDerWaalsContact CD1-C 3.48Å; I171-Q317 HydrophobicContact CD1-CB 3.67Å; I171-L321 HydrophobicContact CD1-CD1 3.36Å; I171-L321 HydrophobicContact CD1-CG 4.04Å; I171-L321 HydrophobicContact CG1-CD1 3.58Å
172	G	97.8	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108	163.5	0	0	0	0	0	109.4	V148 F232 W307 A308 C309	V148-G172 CarbonylContact O-C 3.58Å; V148-G172 WeakPolarHBondContact O-CA 3.46Å; G172-F232 WeakPolarHBondContact O-CE2 3.4Å; G172-W307 PolarHBondContact N-O 3.42Å; G172-A308 WeakPolarHBondContact O-CA 3.42Å; G172-C309 PolarHBondContact O-N 2.74Å
173	R	96.8	Very high	92.7	Very high	16 Å²	16	38.4 Å²	38.4	6%	0.06	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	178.8	174.7	-173.6	171.5	173.8	7.1	110.9	V148 A175 N311 D315	V148-R173 HydrophobicContact CB-CB 4.44Å; V148-R173 PolarHBondContact N-O 2.88Å; V148-R173 VanDerWaalsContact N-O 3.15Å; V148-R173 PolarHBondContact O-N 3.3Å; R173-A175 PolarHBondContact O-N 3.12Å; R173-N311 PolarHBondContact NE-O 2.87Å; R173-N311 PolarHBondContact NE-OD1 2.99Å; R173-N311 PolarHBondContact NH2-OD1 3.32Å; R173-D315 IonicContact CZ-OD1 2.79Å; R173-D315 IonicContact NH1-OD1 3.36Å; R173-D315 PolarHBondContact NH1-OD1 2.83Å; R173-D315 IonicContact NH2-OD1 3.78Å; R173-D315 IonicContact NH2-OD2 2.66Å
174	H	94.9	Very high	92.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	86.9	168.8	-173.7	-152.9	0	0	0	110.9	F176 N224 S228 F232 F263 C309 N311	H174-F176 PolarHBondContact O-N 3.35Å; H174-N224 PolarHBondContact CE1-ND2 2.97Å; H174-N224 PolarHBondContact CE1-OD1 2.85Å; H174-N224 VanDerWaalsContact CE1-OD1 3.26Å; H174-S228 PolarHBondContact NE2-O 3.49Å; H174-S228 PolarHBondContact NE2-OG 2.97Å; H174-F232 HydrophobicContact CB-CD1 3.67Å; H174-F232 HydrophobicContact CB-CD2 3.82Å; H174-F232 HydrophobicContact CB-CE1 3.71Å; H174-F232 HydrophobicContact CB-CE2 3.86Å; H174-F232 HydrophobicContact CB-CG 3.74Å; H174-F232 HydrophobicContact CB-CZ 3.81Å; H174-F232 AromaticContact CD2-CG 3.7Å; H174-F232 AromaticContact CG-CD1 3.76Å; H174-F232 AromaticContact CG-CG 3.79Å; H174-F263 AromaticContact CE1-CE1 3.74Å; H174-F263 AromaticContact CE1-CZ 3.78Å; H174-F263 AromaticContact ND1-CE1 3.26Å; H174-F263 VanDerWaalsContact ND1-CE1 3.26Å; H174-F263 WeakPolarHBondContact ND1-CE1 3.49Å; H174-F263 AromaticContact ND1-CZ 3.48Å; H174-F263 WeakPolarHBondContact ND1-CZ 3.43Å; H174-C309 PolarHBondContact N-O 3.02Å; H174-N311 WeakPolarHBondContact O-CA 3.42Å; H174-N311 WeakPolarHBondContact O-CB 3.5Å; H174-N311 PolarHBondContact O-OD1 3.39Å
175	A	88	Confident	92.5	Very high	14 Å²	14	41.4 Å²	41.4	12%	0.116	21%	0.21	C	C	.	.			trans	-80.8	45.4	-171.2	0	0	0	0	0	113.9	V148 R173	V148-A175 HydrophobicContact CG2-CB 3.98Å; R173-A175 PolarHBondContact O-N 3.12Å
176	F	89.4	Confident	92.5	Very high	42 Å²	42	47 Å²	47	18%	0.184	25%	0.245	C	C	.	.	S	Bend	trans	-144.2	148	178.7	178.6	-89.3	0	0	0	111.7	H174 R181 Y223 N224 T225 S228 N311	H174-F176 PolarHBondContact O-N 3.35Å; F176-R181 VanDerWaalsContact CE2-CZ 3.46Å; F176-R181 VanDerWaalsContact CE2-NH1 3.31Å; F176-Y223 HydrophobicContact CE1-CE2 4.44Å; F176-Y223 HydrophobicContact CZ-CE2 4.33Å; F176-N224 WeakPolarHBondContact CD1-OD1 3.22Å; F176-N224 PolarHBondContact O-ND2 3.02Å; F176-T225 HydrophobicContact CE1-CG2 4.23Å; F176-T225 HydrophobicContact CZ-CG2 4.42Å; F176-S228 VanDerWaalsContact CB-OG 3.31Å; F176-S228 WeakPolarHBondContact CB-OG 3.22Å; F176-S228 WeakPolarHBondContact CD1-OG 3.42Å; F176-S228 VanDerWaalsContact CG-OG 3.25Å; F176-S228 WeakPolarHBondContact CG-OG 3.44Å; F176-N311 PolarHBondContact N-ND2 2.66Å; F176-N311 PolarHBondContact O-ND2 3.19Å
177	G	89.9	Confident	92.8	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	65.8	-150.6	170.4	0	0	0	0	0	114.3	Y180 N311	G177-Y180 PolarHBondContact O-N 2.63Å; G177-N311 PolarHBondContact O-ND2 3.32Å
178	D	94.8	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	53.2	-143.5	-179	-55.9	-0.6	0	0	0	111.6	Y180 R181 A182 M222 Y223 N224 Y259 K310 N311	D178-Y180 PolarHBondContact O-N 2.97Å; D178-Y180 VanDerWaalsContact O-N 3.09Å; D178-R181 CarbonylContact O-C 3.58Å; D178-R181 PolarHBondContact O-N 2.93Å; D178-R181 VanDerWaalsContact O-N 3.12Å; D178-A182 PolarHBondContact O-N 3.4Å; D178-M222 HydrophobicContact CB-SD 4.41Å; D178-Y223 PolarHBondContact N-O 3.4Å; D178-N224 PolarHBondContact OD1-ND2 2.89Å; D178-Y259 PolarHBondContact OD1-OH 3.33Å; D178-K310 WeakPolarHBondContact OD2-CE 3.46Å; D178-N311 HydrophobicContact CB-CB 4.23Å
179	Q	88.6	Confident	93	Very high	81 Å²	81	51.4 Å²	51.4	38%	0.379	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56	-27	-179.9	-63.9	90.3	-26.4	0	0	113.2	R181 A182 M222	Q179-R181 PolarHBondContact O-N 3.45Å; Q179-A182 PolarHBondContact O-N 3.32Å; Q179-M222 HydrophobicContact CG-CE 3.84Å
180	Y	82	Confident	93.1	Very high	94 Å²	94	55.7 Å²	55.7	37%	0.369	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-78.5	-5	-176	-60.6	-97.7	0	0	0	113.2	G177 D178 N311 D315	G177-Y180 PolarHBondContact O-N 2.63Å; D178-Y180 PolarHBondContact O-N 2.97Å; D178-Y180 VanDerWaalsContact O-N 3.09Å; Y180-N311 HydrophobicContact CD2-CB 3.83Å; Y180-N311 WeakPolarHBondContact CD2-ND2 3.3Å; Y180-N311 WeakPolarHBondContact CD2-OD1 3.18Å; Y180-N311 HydrophobicContact CE2-CB 3.95Å; Y180-N311 WeakPolarHBondContact CE2-OD1 3.33Å; Y180-D315 WeakPolarHBondContact OH-CB 3.37Å; Y180-D315 PolarHBondContact OH-OD2 3.03Å
181	R	86.4	Confident	93.1	Very high	78 Å²	78	57.3 Å²	57.3	29%	0.294	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-137.3	27.6	171.2	-63.3	-170.7	173.2	-161.5	3.4	111.6	N142 F176 D178 Q179 Y223	N142-R181 PolarHBondContact OD1-NH2 3.3Å; F176-R181 VanDerWaalsContact CE2-CZ 3.46Å; F176-R181 VanDerWaalsContact CE2-NH1 3.31Å; D178-R181 CarbonylContact O-C 3.58Å; D178-R181 PolarHBondContact O-N 2.93Å; D178-R181 VanDerWaalsContact O-N 3.12Å; Q179-R181 PolarHBondContact O-N 3.45Å; R181-Y223 HydrophobicContact CB-CE1 4.09Å; R181-Y223 WeakPolarHBondContact CD-OH 3.38Å; R181-Y223 PolarHBondContact NH1-OH 2.84Å
182	A	87.3	Confident	93.1	Very high	28 Å²	28	62.8 Å²	62.8	23%	0.231	33%	0.332	C	S	.	.			trans	-71.8	162.5	175.7	0	0	0	0	0	111.1	D178 Q179 G221 M222	D178-A182 PolarHBondContact O-N 3.4Å; Q179-A182 PolarHBondContact O-N 3.32Å; A182-G221 CarbonylContact C-O 3.57Å; A182-G221 VanDerWaalsContact CA-O 3.23Å; A182-G221 WeakPolarHBondContact CA-O 3.25Å; A182-G221 WeakPolarHBondContact CB-O 3.37Å; A182-M222 HydrophobicContact CB-CB 4.09Å
183	T	89.6	Confident	93.1	Very high	109 Å²	109	64.3 Å²	64.3	67%	0.669	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.4	161.1	-60	0	0	0	0	107.3	M220 G221	T183-M220 CarbonylContact O-C 3.47Å; T183-M220 VanDerWaalsContact O-CA 3.28Å; T183-M220 WeakPolarHBondContact O-CA 3.24Å; T183-G221 PolarHBondContact N-O 2.98Å; T183-G221 PolarHBondContact O-N 2.85Å
184	D	91.4	Very high	93.2	Very high	119 Å²	119	68 Å²	68	64%	0.636	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.3	-177.8	64.4	-46.8	0	0	0	111.5	G219 M220	D184-G219 VanDerWaalsContact CA-O 3.28Å; D184-G219 WeakPolarHBondContact CA-O 3.46Å; D184-M220 HydrophobicContact CB-CB 3.99Å
185	F	93.4	Very high	93.4	Very high	87 Å²	87	72.3 Å²	72.3	38%	0.382	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	153.8	179.9	59.5	-83.7	0	0	0	111.1	V187 F193 C218 G219	F185-V187 HydrophobicContact CD2-CG2 3.93Å; F185-V187 HydrophobicContact CE2-CG2 3.57Å; F185-F193 HydrophobicContact CE1-CD2 4.36Å; F185-F193 HydrophobicContact CE1-CE2 4.06Å; F185-F193 HydrophobicContact CE1-CZ 4.3Å; F185-F193 AromaticContact CZ-CD2 3.83Å; F185-F193 HydrophobicContact CZ-CD2 3.83Å; F185-F193 AromaticContact CZ-CE2 4Å; F185-F193 HydrophobicContact CZ-CE2 4Å; F185-F193 HydrophobicContact CZ-CG 4.13Å; F185-F193 HydrophobicContact CZ-CZ 4.4Å; F185-C218 VanDerWaalsContact O-CA 3.3Å; F185-C218 WeakPolarHBondContact O-CA 3.36Å; F185-G219 PolarHBondContact N-O 3.11Å; F185-G219 PolarHBondContact O-N 2.88Å
186	V	96.2	Very high	93.9	Very high	122 Å²	122	75.8 Å²	75.8	74%	0.739	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.3	170.1	179	0	0	0	0	108.8
187	V	97.9	Very high	94.3	Very high	19 Å²	19	79.3 Å²	79.3	12%	0.115	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.1	172	178.3	0	0	0	0	107.3	F185 Q189 F213 G216 G217	F185-V187 HydrophobicContact CD2-CG2 3.93Å; F185-V187 HydrophobicContact CE2-CG2 3.57Å; V187-Q189 WeakPolarHBondContact CG1-O 3.47Å; V187-F213 HydrophobicContact CG1-CB 4.12Å; V187-F213 HydrophobicContact CG1-CD1 4.33Å; V187-F213 HydrophobicContact CG1-CD2 4.36Å; V187-F213 HydrophobicContact CG1-CG 4.03Å; V187-F213 HydrophobicContact CG2-CD2 4.18Å; V187-F213 HydrophobicContact CG2-CE1 4.4Å; V187-F213 HydrophobicContact CG2-CE2 4.03Å; V187-F213 HydrophobicContact CG2-CG 4.44Å; V187-F213 HydrophobicContact CG2-CZ 4.15Å; V187-G216 CarbonylContact O-C 3.6Å; V187-G216 WeakPolarHBondContact O-CA 3.31Å; V187-G217 PolarHBondContact N-O 3.47Å; V187-G217 PolarHBondContact O-N 2.8Å
188	D	97.7	Very high	94.6	Very high	138 Å²	138	82.8 Å²	82.8	74%	0.738	44%	0.435	S	S	*	.			trans	-104.2	-7.5	-178	61.2	-11.1	0	0	0	113.4
189	Q	97.4	Very high	94.8	Very high	130 Å²	130	83.7 Å²	83.7	61%	0.607	44%	0.441	S	S	*	.	S	Bend	trans	-148.4	161.2	-178.5	65.7	-173.5	2.7	0	0	112.1	V187	V187-Q189 WeakPolarHBondContact CG1-O 3.47Å
190	P	98.6	Very high	95.1	Very high	91 Å²	91	86.2 Å²	86.2	59%	0.591	47%	0.468	S	S	*	.			trans	-59.4	142.3	178.3	-21.7	32.8	0	0	0	112.9	F213 P214	P190-F213 CarbonylContact C-O 3.54Å; P190-F213 WeakPolarHBondContact CA-O 3.42Å; P190-F213 WeakPolarHBondContact CB-O 3.4Å; P190-P214 WeakPolarHBondContact CG-O 3.4Å
191	G	98.2	Very high	95.8	Very high	33 Å²	33	87.8 Å²	87.8	34%	0.34	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	165.9	178.9	0	0	0	0	0	115.6	F213	G191-F213 PolarHBondContact N-O 3.43Å; G191-F213 WeakPolarHBondContact O-CB 3.39Å; G191-F213 PolarHBondContact O-N 3.14Å
192	K	98.4	Very high	96.2	Very high	117 Å²	117	87.3 Å²	87.3	51%	0.509	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.7	-178.3	-67.5	-174.4	167.3	-134.5	0	112.4	E209 D212	K192-E209 IonicContact NZ-OE1 2.85Å; K192-E209 PolarHBondContact NZ-OE1 3.06Å; K192-E209 IonicContact NZ-OE2 2.7Å; K192-E209 PolarHBondContact NZ-OE2 2.61Å; K192-D212 VanDerWaalsContact CE-OD2 3.27Å; K192-D212 WeakPolarHBondContact CE-OD2 3.45Å; K192-D212 HydrophobicContact CG-CB 4.2Å
193	F	98.6	Very high	96.7	Very high	32 Å²	32	88.7 Å²	88.7	14%	0.14	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.8	168.3	176.1	-146.6	0	0	0	110.5	F185 V210 Y211 F213	F185-F193 HydrophobicContact CE1-CD2 4.36Å; F185-F193 HydrophobicContact CE1-CE2 4.06Å; F185-F193 HydrophobicContact CE1-CZ 4.3Å; F185-F193 AromaticContact CZ-CD2 3.83Å; F185-F193 HydrophobicContact CZ-CD2 3.83Å; F185-F193 AromaticContact CZ-CE2 4Å; F185-F193 HydrophobicContact CZ-CE2 4Å; F185-F193 HydrophobicContact CZ-CG 4.13Å; F185-F193 HydrophobicContact CZ-CZ 4.4Å; F193-V210 HydrophobicContact CB-CB 4.5Å; F193-V210 HydrophobicContact CD1-CB 3.56Å; F193-V210 HydrophobicContact CD1-CG1 3.58Å; F193-V210 HydrophobicContact CD1-CG2 4.02Å; F193-V210 HydrophobicContact CE1-CB 3.9Å; F193-V210 HydrophobicContact CE1-CG1 3.69Å; F193-V210 HydrophobicContact CE1-CG2 3.93Å; F193-V210 HydrophobicContact CG-CB 4.06Å; F193-V210 HydrophobicContact CG-CG2 4.41Å; F193-V210 HydrophobicContact CZ-CG2 4.24Å; F193-V210 PolarHBondContact O-N 3.01Å; F193-Y211 PolarHBondContact N-O 3.1Å; F193-Y211 PolarHBondContact O-N 2.9Å; F193-F213 HydrophobicContact CB-CD2 4.28Å; F193-F213 HydrophobicContact CB-CE2 3.77Å; F193-F213 HydrophobicContact CD1-CE2 4.48Å
194	K	98.5	Very high	97	Very high	93 Å²	93	87.6 Å²	87.6	40%	0.404	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.4	-177.3	-66.3	166.2	160	-149.3	0	110.6	E207 W208 E209	K194-E207 WeakPolarHBondContact CD-OE1 3.36Å; K194-E207 VanDerWaalsContact CE-OE1 3.28Å; K194-E207 WeakPolarHBondContact CE-OE1 3.47Å; K194-E207 IonicContact NZ-OE1 3.8Å; K194-E207 PolarHBondContact NZ-OE1 3.36Å; K194-W208 CarbonylContact C-O 3.6Å; K194-W208 VanDerWaalsContact CA-O 3.28Å; K194-W208 WeakPolarHBondContact CA-O 3.29Å; K194-E209 HydrophobicContact CG-CB 4.43Å; K194-E209 HydrophobicContact CG-CG 4.36Å
195	M	98.4	Very high	97.3	Very high	90 Å²	90	86.8 Å²	86.8	44%	0.443	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.2	168.4	-65.9	-175.8	-59.2	0	0	109.7	E207 W208 V210	M195-E207 CarbonylContact O-C 3.57Å; M195-E207 VanDerWaalsContact O-CA 3.32Å; M195-E207 WeakPolarHBondContact O-CA 3.28Å; M195-W208 HydrophobicContact CB-CE3 4.45Å; M195-W208 HydrophobicContact CE-CB 4.31Å; M195-W208 PolarHBondContact N-O 3.2Å; M195-W208 PolarHBondContact O-N 2.99Å; M195-V210 HydrophobicContact CE-CG2 3.91Å; M195-V210 HydrophobicContact CG-CG2 3.7Å; M195-V210 HydrophobicContact SD-CG2 4.17Å
196	V	98.3	Very high	97.5	Very high	87 Å²	87	88.3 Å²	88.3	53%	0.527	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.1	176.2	-177.4	0	0	0	0	108.9	N205 K206 E207	V196-N205 HydrophobicContact CG1-CB 4.34Å; V196-K206 CarbonylContact C-O 3.54Å; V196-K206 WeakPolarHBondContact CA-O 3.2Å; V196-E207 HydrophobicContact CG2-CG 4.15Å
197	F	98.2	Very high	97.6	Very high	117 Å²	117	87.8 Å²	87.8	51%	0.513	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.2	169.2	-179.7	-102.3	0	0	0	109.2	P199 N205 K206 W208	F197-P199 HydrophobicContact CD1-CG 4.11Å; F197-P199 HydrophobicContact CE1-CB 4.41Å; F197-P199 HydrophobicContact CE1-CG 3.94Å; F197-P199 WeakPolarHBondContact O-CD 3.49Å; F197-N205 WeakPolarHBondContact O-CA 3.4Å; F197-K206 PolarHBondContact N-O 2.85Å; F197-K206 PolarHBondContact O-N 2.78Å; F197-W208 HydrophobicContact CB-CH2 4.14Å; F197-W208 HydrophobicContact CB-CZ3 3.77Å
198	S	97.7	Very high	97.7	Very high	73 Å²	73	93 Å²	93	51%	0.51	52%	0.521	S	S	.	.			trans	-109	104.1	-179.9	-53.4	0	0	0	0	109.6	N205	S198-N205 WeakPolarHBondContact CA-OD1 3.13Å; S198-N205 WeakPolarHBondContact CB-OD1 3.48Å; S198-N205 PolarHBondContact OG-ND2 3.09Å; S198-N205 PolarHBondContact OG-OD1 3.31Å
199	P	97.3	Very high	97.7	Very high	20 Å²	20	91.2 Å²	91.2	13%	0.13	51%	0.509	C	S	.	.			trans	-59.4	138.2	179.2	-25.3	36.3	0	0	0	112.7	F197 D201 G202 S203	F197-P199 HydrophobicContact CD1-CG 4.11Å; F197-P199 HydrophobicContact CE1-CB 4.41Å; F197-P199 HydrophobicContact CE1-CG 3.94Å; F197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-D201 VanDerWaalsContact C-N 3.27Å; P199-D201 WeakPolarHBondContact CB-OD1 3.41Å; P199-D201 PolarHBondContact O-N 3.28Å; P199-G202 PolarHBondContact O-N 2.92Å; P199-S203 WeakPolarHBondContact CB-OG 3.19Å; P199-S203 VanDerWaalsContact CG-OG 3.24Å; P199-S203 WeakPolarHBondContact CG-OG 3.45Å
200	S	96.2	Very high	97.7	Very high	134 Å²	134	88.3 Å²	88.3	94%	0.937	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	179.3	53.9	0	0	0	0	113.8	G202	S200-G202 PolarHBondContact O-N 2.84Å
201	D	96.2	Very high	97.7	Very high	126 Å²	126	89.9 Å²	89.9	67%	0.674	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.7	175.2	65.6	2.9	0	0	0	113.3	P199 S203	P199-D201 VanDerWaalsContact C-N 3.27Å; P199-D201 WeakPolarHBondContact CB-OD1 3.41Å; P199-D201 PolarHBondContact O-N 3.28Å; D201-S203 VanDerWaalsContact C-N 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.31Å; D201-S203 PolarHBondContact OD1-N 3.28Å; D201-S203 PolarHBondContact OD1-OG 3.07Å
202	G	95.6	Very high	97.8	Very high	69 Å²	69	92 Å²	92	71%	0.711	50%	0.498	S	S	*	.	S	Bend	trans	79.8	7.4	-179.2	0	0	0	0	0	114.2	P199 S200	P199-G202 PolarHBondContact O-N 2.92Å; S200-G202 PolarHBondContact O-N 2.84Å
203	S	96.8	Very high	97.8	Very high	56 Å²	56	87.6 Å²	87.6	39%	0.392	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-67.3	163.8	171.2	63.9	0	0	0	0	112	P199 D201 N205	P199-S203 WeakPolarHBondContact CB-OG 3.19Å; P199-S203 VanDerWaalsContact CG-OG 3.24Å; P199-S203 WeakPolarHBondContact CG-OG 3.45Å; D201-S203 VanDerWaalsContact C-N 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.31Å; D201-S203 PolarHBondContact OD1-N 3.28Å; D201-S203 PolarHBondContact OD1-OG 3.07Å; S203-N205 PolarHBondContact O-N 3.43Å
204	A	97	Very high	97.7	Very high	86 Å²	86	90.9 Å²	90.9	71%	0.711	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60	137.4	-170.7	0	0	0	0	0	112.8
205	N	97.3	Very high	97.7	Very high	103 Å²	103	89.1 Å²	89.1	55%	0.551	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.9	174.5	-69.4	-2.1	0	0	0	110.8	V196 F197 S198 S203	V196-N205 HydrophobicContact CG1-CB 4.34Å; F197-N205 WeakPolarHBondContact O-CA 3.4Å; S198-N205 WeakPolarHBondContact CA-OD1 3.13Å; S198-N205 WeakPolarHBondContact CB-OD1 3.48Å; S198-N205 PolarHBondContact OG-ND2 3.09Å; S198-N205 PolarHBondContact OG-OD1 3.31Å; S203-N205 PolarHBondContact O-N 3.43Å
206	K	97.9	Very high	97.6	Very high	119 Å²	119	87.4 Å²	87.4	52%	0.517	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.8	171.1	-60.8	178.3	-176.7	175.2	0	108.7	V196 F197 W208	V196-K206 CarbonylContact C-O 3.54Å; V196-K206 WeakPolarHBondContact CA-O 3.2Å; F197-K206 PolarHBondContact N-O 2.85Å; F197-K206 PolarHBondContact O-N 2.78Å; K206-W208 HydrophobicContact CB-CE3 4.44Å; K206-W208 HydrophobicContact CB-CH2 3.25Å; K206-W208 HydrophobicContact CB-CZ2 3.78Å; K206-W208 HydrophobicContact CB-CZ3 3.62Å; K206-W208 HydrophobicContact CD-CH2 3.89Å; K206-W208 HydrophobicContact CD-CZ2 4.14Å; K206-W208 HydrophobicContact CG-CH2 4.2Å; K206-W208 WeakPolarHBondContact O-CZ3 3.42Å
207	E	98.2	Very high	97.6	Very high	111 Å²	111	84.8 Å²	84.8	52%	0.519	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.6	-178.9	-175	177.6	149.9	0	0	109.9	K194 M195 V196	K194-E207 WeakPolarHBondContact CD-OE1 3.36Å; K194-E207 VanDerWaalsContact CE-OE1 3.28Å; K194-E207 WeakPolarHBondContact CE-OE1 3.47Å; K194-E207 IonicContact NZ-OE1 3.8Å; K194-E207 PolarHBondContact NZ-OE1 3.36Å; M195-E207 CarbonylContact O-C 3.57Å; M195-E207 VanDerWaalsContact O-CA 3.32Å; M195-E207 WeakPolarHBondContact O-CA 3.28Å; V196-E207 HydrophobicContact CG2-CG 4.15Å
208	W	98.5	Very high	97.6	Very high	128 Å²	128	83.8 Å²	83.8	49%	0.485	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.7	174.6	-60.2	-92.1	0	0	0	109.2	K194 M195 F197 K206	K194-W208 CarbonylContact C-O 3.6Å; K194-W208 VanDerWaalsContact CA-O 3.28Å; K194-W208 WeakPolarHBondContact CA-O 3.29Å; M195-W208 HydrophobicContact CB-CE3 4.45Å; M195-W208 HydrophobicContact CE-CB 4.31Å; M195-W208 PolarHBondContact N-O 3.2Å; M195-W208 PolarHBondContact O-N 2.99Å; F197-W208 HydrophobicContact CB-CH2 4.14Å; F197-W208 HydrophobicContact CB-CZ3 3.77Å; K206-W208 HydrophobicContact CB-CE3 4.44Å; K206-W208 HydrophobicContact CB-CH2 3.25Å; K206-W208 HydrophobicContact CB-CZ2 3.78Å; K206-W208 HydrophobicContact CB-CZ3 3.62Å; K206-W208 HydrophobicContact CD-CH2 3.89Å; K206-W208 HydrophobicContact CD-CZ2 4.14Å; K206-W208 HydrophobicContact CG-CH2 4.2Å; K206-W208 WeakPolarHBondContact O-CZ3 3.42Å
209	E	98.3	Very high	97.6	Very high	100 Å²	100	80.7 Å²	80.7	47%	0.467	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.3	166.7	-168.6	170.5	120.5	0	0	108.5	K192 K194	K192-E209 IonicContact NZ-OE1 2.85Å; K192-E209 PolarHBondContact NZ-OE1 3.06Å; K192-E209 IonicContact NZ-OE2 2.7Å; K192-E209 PolarHBondContact NZ-OE2 2.61Å; K194-E209 HydrophobicContact CG-CB 4.43Å; K194-E209 HydrophobicContact CG-CG 4.36Å
210	V	98.3	Very high	97.7	Very high	69 Å²	69	84.6 Å²	84.6	42%	0.418	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-51.6	179.6	-179.8	0	0	0	0	109.7	F193 M195	F193-V210 HydrophobicContact CB-CB 4.5Å; F193-V210 HydrophobicContact CD1-CB 3.56Å; F193-V210 HydrophobicContact CD1-CG1 3.58Å; F193-V210 HydrophobicContact CD1-CG2 4.02Å; F193-V210 HydrophobicContact CE1-CB 3.9Å; F193-V210 HydrophobicContact CE1-CG1 3.69Å; F193-V210 HydrophobicContact CE1-CG2 3.93Å; F193-V210 HydrophobicContact CG-CB 4.06Å; F193-V210 HydrophobicContact CG-CG2 4.41Å; F193-V210 HydrophobicContact CZ-CG2 4.24Å; F193-V210 PolarHBondContact O-N 3.01Å; M195-V210 HydrophobicContact CE-CG2 3.91Å; M195-V210 HydrophobicContact CG-CG2 3.7Å; M195-V210 HydrophobicContact SD-CG2 4.17Å
211	Y	98.6	Very high	97.8	Very high	125 Å²	125	79.7 Å²	79.7	49%	0.49	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	151.8	-178.5	-165.5	-114.6	0	0	0	111.4	F193 F213	F193-Y211 PolarHBondContact N-O 3.1Å; F193-Y211 PolarHBondContact O-N 2.9Å; Y211-F213 HydrophobicContact CD1-CB 4.48Å; Y211-F213 AromaticContact CD1-CD1 3.76Å; Y211-F213 HydrophobicContact CD1-CD1 3.76Å; Y211-F213 AromaticContact CD1-CD2 3.89Å; Y211-F213 HydrophobicContact CD1-CD2 3.89Å; Y211-F213 AromaticContact CD1-CE1 3.84Å; Y211-F213 HydrophobicContact CD1-CE1 3.84Å; Y211-F213 AromaticContact CD1-CE2 3.97Å; Y211-F213 HydrophobicContact CD1-CE2 3.97Å; Y211-F213 AromaticContact CD1-CG 3.78Å; Y211-F213 HydrophobicContact CD1-CG 3.78Å; Y211-F213 AromaticContact CD1-CZ 3.95Å; Y211-F213 HydrophobicContact CD1-CZ 3.95Å; Y211-F213 AromaticContact CE1-CD1 3.94Å; Y211-F213 HydrophobicContact CE1-CD1 3.94Å; Y211-F213 HydrophobicContact CE1-CE1 4.25Å; Y211-F213 HydrophobicContact CE1-CG 4.2Å
212	D	98.4	Very high	97.8	Very high	78 Å²	78	76.8 Å²	76.8	42%	0.417	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.4	169.5	-165.8	-5.1	0	0	0	108.6	K192 P214	K192-D212 VanDerWaalsContact CE-OD2 3.27Å; K192-D212 WeakPolarHBondContact CE-OD2 3.45Å; K192-D212 HydrophobicContact CG-CB 4.2Å; D212-P214 VanDerWaalsContact O-CD 3.29Å; D212-P214 WeakPolarHBondContact O-CD 3.44Å
213	F	98.4	Very high	97.9	Very high	24 Å²	24	78.6 Å²	78.6	11%	0.105	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.9	-176.3	-73.7	-87.2	0	0	0	110.3	V187 P190 G191 F193 Y211 A215 C218	V187-F213 HydrophobicContact CG1-CB 4.12Å; V187-F213 HydrophobicContact CG1-CD1 4.33Å; V187-F213 HydrophobicContact CG1-CD2 4.36Å; V187-F213 HydrophobicContact CG1-CG 4.03Å; V187-F213 HydrophobicContact CG2-CD2 4.18Å; V187-F213 HydrophobicContact CG2-CE1 4.4Å; V187-F213 HydrophobicContact CG2-CE2 4.03Å; V187-F213 HydrophobicContact CG2-CG 4.44Å; V187-F213 HydrophobicContact CG2-CZ 4.15Å; P190-F213 CarbonylContact C-O 3.54Å; P190-F213 WeakPolarHBondContact CA-O 3.42Å; P190-F213 WeakPolarHBondContact CB-O 3.4Å; G191-F213 PolarHBondContact N-O 3.43Å; G191-F213 WeakPolarHBondContact O-CB 3.39Å; G191-F213 PolarHBondContact O-N 3.14Å; F193-F213 HydrophobicContact CB-CD2 4.28Å; F193-F213 HydrophobicContact CB-CE2 3.77Å; F193-F213 HydrophobicContact CD1-CE2 4.48Å; Y211-F213 HydrophobicContact CD1-CB 4.48Å; Y211-F213 AromaticContact CD1-CD1 3.76Å; Y211-F213 HydrophobicContact CD1-CD1 3.76Å; Y211-F213 AromaticContact CD1-CD2 3.89Å; Y211-F213 HydrophobicContact CD1-CD2 3.89Å; Y211-F213 AromaticContact CD1-CE1 3.84Å; Y211-F213 HydrophobicContact CD1-CE1 3.84Å; Y211-F213 AromaticContact CD1-CE2 3.97Å; Y211-F213 HydrophobicContact CD1-CE2 3.97Å; Y211-F213 AromaticContact CD1-CG 3.78Å; Y211-F213 HydrophobicContact CD1-CG 3.78Å; Y211-F213 AromaticContact CD1-CZ 3.95Å; Y211-F213 HydrophobicContact CD1-CZ 3.95Å; Y211-F213 AromaticContact CE1-CD1 3.94Å; Y211-F213 HydrophobicContact CE1-CD1 3.94Å; Y211-F213 HydrophobicContact CE1-CE1 4.25Å; Y211-F213 HydrophobicContact CE1-CG 4.2Å; F213-A215 VanDerWaalsContact C-N 3.3Å; F213-A215 WeakPolarHBondContact CB-O 3.25Å; F213-C218 WeakPolarHBondContact CZ-O 3.43Å
214	P	97.6	Very high	97.9	Very high	101 Å²	101	77.2 Å²	77.2	66%	0.656	43%	0.434	S	S	*	.	S	Bend	trans	-80.5	-11.9	174.5	33.3	-35.7	0	0	0	113.1	P190 D212	P190-P214 WeakPolarHBondContact CG-O 3.4Å; D212-P214 VanDerWaalsContact O-CD 3.29Å; D212-P214 WeakPolarHBondContact O-CD 3.44Å
215	A	98	Very high	97.9	Very high	55 Å²	55	75.6 Å²	75.6	46%	0.455	42%	0.415	S	S	.	.	S	Bend	trans	-160.2	-163.7	-178.9	0	0	0	0	0	109.3	F213	F213-A215 VanDerWaalsContact C-N 3.3Å; F213-A215 WeakPolarHBondContact CB-O 3.25Å
216	G	97.7	Very high	98	Very high	55 Å²	55	74.3 Å²	74.3	57%	0.567	41%	0.408	S	S	*	.			trans	-63.5	161.2	179.1	0	0	0	0	0	114.8	V187	V187-G216 CarbonylContact O-C 3.6Å; V187-G216 WeakPolarHBondContact O-CA 3.31Å
217	G	98.1	Very high	97.8	Very high	31 Å²	31	76.5 Å²	76.5	32%	0.32	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178	-155.8	-177	0	0	0	0	0	112.8	V187	V187-G217 PolarHBondContact N-O 3.47Å; V187-G217 PolarHBondContact O-N 2.8Å
218	C	98	Very high	97.6	Very high	96 Å²	96	72.4 Å²	72.4	65%	0.649	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.3	171.5	58.9	0	0	0	0	110.5	F185 F213	F185-C218 VanDerWaalsContact O-CA 3.3Å; F185-C218 WeakPolarHBondContact O-CA 3.36Å; F213-C218 WeakPolarHBondContact CZ-O 3.43Å
219	G	98.1	Very high	97.5	Very high	8 Å²	8	66.5 Å²	66.5	8%	0.082	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.1	177.2	0	0	0	0	0	110.9	D184 F185	D184-G219 VanDerWaalsContact CA-O 3.28Å; D184-G219 WeakPolarHBondContact CA-O 3.46Å; F185-G219 PolarHBondContact N-O 3.11Å; F185-G219 PolarHBondContact O-N 2.88Å
220	M	98.2	Very high	97.4	Very high	103 Å²	103	64 Å²	64	51%	0.507	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.5	172.2	67.3	170.5	61.1	0	0	112.1	T183 D184 M222	T183-M220 CarbonylContact O-C 3.47Å; T183-M220 VanDerWaalsContact O-CA 3.28Å; T183-M220 WeakPolarHBondContact O-CA 3.24Å; D184-M220 HydrophobicContact CB-CB 3.99Å; M220-M222 HydrophobicContact SD-CE 3.69Å
221	G	98.1	Very high	97.2	Very high	30 Å²	30	61.4 Å²	61.4	31%	0.309	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.2	166.9	0	0	0	0	0	110.5	A182 T183	A182-G221 CarbonylContact C-O 3.57Å; A182-G221 VanDerWaalsContact CA-O 3.23Å; A182-G221 WeakPolarHBondContact CA-O 3.25Å; A182-G221 WeakPolarHBondContact CB-O 3.37Å; T183-G221 PolarHBondContact N-O 2.98Å; T183-G221 PolarHBondContact O-N 2.85Å
222	M	97.6	Very high	97.1	Very high	66 Å²	66	55.6 Å²	55.6	33%	0.325	34%	0.338	S	S	.	.			trans	-140.3	162.1	178.1	69.5	178.9	73.5	0	0	111.1	D178 Q179 A182 M220 Y259	D178-M222 HydrophobicContact CB-SD 4.41Å; Q179-M222 HydrophobicContact CG-CE 3.84Å; A182-M222 HydrophobicContact CB-CB 4.09Å; M220-M222 HydrophobicContact SD-CE 3.69Å; M222-Y259 HydrophobicContact CG-CE2 4.34Å
223	Y	97.4	Very high	97	Very high	106 Å²	106	51.9 Å²	51.9	42%	0.416	32%	0.318	S	S	.	.			trans	-145.9	162.2	-177.5	71.6	-84.4	0	0	0	111.6	F176 D178 R181 Y259	F176-Y223 HydrophobicContact CE1-CE2 4.44Å; F176-Y223 HydrophobicContact CZ-CE2 4.33Å; D178-Y223 PolarHBondContact N-O 3.4Å; R181-Y223 HydrophobicContact CB-CE1 4.09Å; R181-Y223 WeakPolarHBondContact CD-OH 3.38Å; R181-Y223 PolarHBondContact NH1-OH 2.84Å; Y223-Y259 PolarHBondContact O-OH 2.97Å
224	N	97.1	Very high	96.8	Very high	28 Å²	28	52.8 Å²	52.8	15%	0.15	32%	0.322	C	S	.	.			trans	-141.4	174.3	164.2	-143.7	-56.3	0	0	0	108.8	H174 F176 D178 I229 Y259 F263	H174-N224 PolarHBondContact CE1-ND2 2.97Å; H174-N224 PolarHBondContact CE1-OD1 2.85Å; H174-N224 VanDerWaalsContact CE1-OD1 3.26Å; F176-N224 WeakPolarHBondContact CD1-OD1 3.22Å; F176-N224 PolarHBondContact O-ND2 3.02Å; D178-N224 PolarHBondContact OD1-ND2 2.89Å; N224-I229 HydrophobicContact CB-CD1 4.36Å; N224-Y259 PolarHBondContact N-OH 3.15Å; N224-F263 HydrophobicContact CB-CE2 4.38Å; N224-F263 HydrophobicContact CB-CZ 4.42Å
225	T	96.7	Very high	96.7	Very high	52 Å²	52	48 Å²	48	32%	0.319	29%	0.291	S	S	.	.			trans	-128	143.5	180	68	0	0	0	0	111.2	F176 E227 S228 I229	F176-T225 HydrophobicContact CE1-CG2 4.23Å; F176-T225 HydrophobicContact CZ-CG2 4.42Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-S228 PolarHBondContact O-N 3.45Å; T225-S228 WeakPolarHBondContact OG1-CB 3.49Å; T225-S228 PolarHBondContact OG1-N 3.39Å; T225-I229 WeakPolarHBondContact O-CG1 3.27Å; T225-I229 PolarHBondContact O-N 2.95Å
226	D	97.9	Very high	96.6	Very high	75 Å²	75	45.4 Å²	45.4	40%	0.401	27%	0.27	S	S	.	.	H	α-helix	trans	-56.5	-37.6	176.9	-73	-3	0	0	0	112	S228 I229 T230 R262 I266	D226-S228 PolarHBondContact O-N 2.96Å; D226-I229 PolarHBondContact O-N 3.43Å; D226-T230 WeakPolarHBondContact O-CB 3.12Å; D226-T230 PolarHBondContact O-N 2.81Å; D226-T230 PolarHBondContact O-OG1 3.29Å; D226-R262 WeakPolarHBondContact OD1-CG 3.26Å; D226-R262 IonicContact OD1-CZ 3.91Å; D226-R262 IonicContact OD1-NE 3.73Å; D226-R262 PolarHBondContact OD1-NE 3.01Å; D226-R262 IonicContact OD1-NH2 3.17Å; D226-R262 IonicContact OD2-CZ 3.83Å; D226-R262 IonicContact OD2-NE 2.87Å; D226-R262 PolarHBondContact OD2-NE 2.77Å; D226-R262 IonicContact OD2-NH2 2.89Å; D226-R262 PolarHBondContact OD2-NH2 3.48Å; D226-I266 HydrophobicContact CB-CD1 4.06Å
227	E	94.6	Very high	96.6	Very high	166 Å²	166	42.8 Å²	42.8	78%	0.776	24%	0.243	S	C	*	.	H	α-helix	trans	-58.3	-47.3	175.1	-176.6	-173.5	172.3	0	0	111.5	T225 T230 G231	T225-E227 PolarHBondContact O-N 2.96Å; E227-T230 PolarHBondContact O-N 2.94Å; E227-G231 PolarHBondContact O-N 3.37Å
228	S	92.9	Very high	96.3	Very high	25 Å²	25	44.7 Å²	44.7	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-43.3	-179.6	-171.2	0	0	0	0	111.9	H174 F176 T225 D226 T230 G231 F232	H174-S228 PolarHBondContact NE2-O 3.49Å; H174-S228 PolarHBondContact NE2-OG 2.97Å; F176-S228 VanDerWaalsContact CB-OG 3.31Å; F176-S228 WeakPolarHBondContact CB-OG 3.22Å; F176-S228 WeakPolarHBondContact CD1-OG 3.42Å; F176-S228 VanDerWaalsContact CG-OG 3.25Å; F176-S228 WeakPolarHBondContact CG-OG 3.44Å; T225-S228 PolarHBondContact O-N 3.45Å; T225-S228 WeakPolarHBondContact OG1-CB 3.49Å; T225-S228 PolarHBondContact OG1-N 3.39Å; D226-S228 PolarHBondContact O-N 2.96Å; S228-T230 VanDerWaalsContact C-N 3.32Å; S228-T230 PolarHBondContact O-N 3.42Å; S228-G231 PolarHBondContact O-N 3.2Å; S228-F232 WeakPolarHBondContact O-CB 3.19Å; S228-F232 PolarHBondContact O-N 2.74Å
229	I	97.4	Very high	96.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-39.7	178	-60.8	168.7	0	0	0	110.6	N224 T225 D226 F232 A233 F263 I266 F267	N224-I229 HydrophobicContact CB-CD1 4.36Å; T225-I229 WeakPolarHBondContact O-CG1 3.27Å; T225-I229 PolarHBondContact O-N 2.95Å; D226-I229 PolarHBondContact O-N 3.43Å; I229-F232 WeakPolarHBondContact O-CB 3.45Å; I229-F232 PolarHBondContact O-N 3.01Å; I229-A233 PolarHBondContact O-N 3.45Å; I229-F263 HydrophobicContact CD1-CD1 4.33Å; I229-F263 HydrophobicContact CD1-CD2 3.75Å; I229-F263 HydrophobicContact CD1-CE1 4.17Å; I229-F263 HydrophobicContact CD1-CE2 3.55Å; I229-F263 HydrophobicContact CD1-CG 4.14Å; I229-F263 HydrophobicContact CD1-CZ 3.79Å; I229-F263 HydrophobicContact CG1-CD1 4.13Å; I229-F263 HydrophobicContact CG1-CD2 4.38Å; I229-F263 HydrophobicContact CG1-CE1 3.74Å; I229-F263 HydrophobicContact CG1-CE2 4.01Å; I229-F263 HydrophobicContact CG1-CG 4.44Å; I229-F263 HydrophobicContact CG1-CZ 3.68Å; I229-F263 HydrophobicContact CG2-CD1 3.81Å; I229-F263 HydrophobicContact CG2-CE1 4.19Å; I229-F263 HydrophobicContact CG2-CG 4.17Å; I229-I266 HydrophobicContact CB-CD1 3.94Å; I229-I266 HydrophobicContact CD1-CD1 4.24Å; I229-I266 HydrophobicContact CG2-CB 3.97Å; I229-I266 HydrophobicContact CG2-CD1 3.82Å; I229-I266 HydrophobicContact CG2-CG1 4.5Å; I229-I266 HydrophobicContact CG2-CG2 3.84Å; I229-F267 HydrophobicContact CG2-CD2 4.46Å; I229-F267 HydrophobicContact CG2-CE2 4.37Å
230	T	96.4	Very high	96	Very high	48 Å²	48	42 Å²	42	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-47.9	176.4	-64.5	0	0	0	0	111	D226 E227 S228 F232 A233 H234 I270	D226-T230 WeakPolarHBondContact O-CB 3.12Å; D226-T230 PolarHBondContact O-N 2.81Å; D226-T230 PolarHBondContact O-OG1 3.29Å; E227-T230 PolarHBondContact O-N 2.94Å; S228-T230 VanDerWaalsContact C-N 3.32Å; S228-T230 PolarHBondContact O-N 3.42Å; T230-F232 VanDerWaalsContact C-N 3.32Å; T230-F232 PolarHBondContact O-N 3.16Å; T230-A233 PolarHBondContact O-N 2.89Å; T230-H234 PolarHBondContact O-CD2 3.33Å; T230-H234 PolarHBondContact O-N 3.24Å; T230-I270 HydrophobicContact CG2-CD1 3.82Å
231	G	93.3	Very high	95.9	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-43	175.4	0	0	0	0	0	112.5	E227 S228 H234 S235	E227-G231 PolarHBondContact O-N 3.37Å; S228-G231 PolarHBondContact O-N 3.2Å; G231-H234 PolarHBondContact O-N 3.36Å; G231-S235 PolarHBondContact O-N 3.1Å; G231-S235 PolarHBondContact O-OG 3.07Å
232	F	96.1	Very high	95.6	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-48	175.2	171.8	-128.2	0	0	0	112.4	T147 G172 H174 S228 I229 T230 S235 C236 F267 A308 C309	T147-F232 HydrophobicContact CG2-CD2 3.52Å; T147-F232 HydrophobicContact CG2-CE2 3.57Å; T147-F232 WeakPolarHBondContact OG1-CD2 3.1Å; G172-F232 WeakPolarHBondContact O-CE2 3.4Å; H174-F232 HydrophobicContact CB-CD1 3.67Å; H174-F232 HydrophobicContact CB-CD2 3.82Å; H174-F232 HydrophobicContact CB-CE1 3.71Å; H174-F232 HydrophobicContact CB-CE2 3.86Å; H174-F232 HydrophobicContact CB-CG 3.74Å; H174-F232 HydrophobicContact CB-CZ 3.81Å; H174-F232 AromaticContact CD2-CG 3.7Å; H174-F232 AromaticContact CG-CD1 3.76Å; H174-F232 AromaticContact CG-CG 3.79Å; S228-F232 WeakPolarHBondContact O-CB 3.19Å; S228-F232 PolarHBondContact O-N 2.74Å; I229-F232 WeakPolarHBondContact O-CB 3.45Å; I229-F232 PolarHBondContact O-N 3.01Å; T230-F232 VanDerWaalsContact C-N 3.32Å; T230-F232 PolarHBondContact O-N 3.16Å; F232-S235 PolarHBondContact O-N 3.43Å; F232-C236 WeakPolarHBondContact CE2-SG 3.26Å; F232-C236 PolarHBondContact O-N 2.85Å; F232-C236 PolarHBondContact O-SG 2.83Å; F232-F267 AromaticContact CD1-CE2 3.49Å; F232-F267 HydrophobicContact CD1-CE2 3.49Å; F232-F267 VanDerWaalsContact CD1-CE2 3.49Å; F232-F267 AromaticContact CD1-CZ 3.42Å; F232-F267 HydrophobicContact CD1-CZ 3.42Å; F232-F267 VanDerWaalsContact CD1-CZ 3.42Å; F232-F267 AromaticContact CE1-CE2 3.72Å; F232-F267 HydrophobicContact CE1-CE2 3.72Å; F232-F267 AromaticContact CE1-CZ 3.38Å; F232-F267 HydrophobicContact CE1-CZ 3.38Å; F232-F267 HydrophobicContact CG-CE2 4.43Å; F232-F267 HydrophobicContact CG-CZ 4.15Å; F232-F267 HydrophobicContact CZ-CZ 4.1Å; F232-A308 HydrophobicContact CE1-CB 4.28Å; F232-A308 HydrophobicContact CE2-CB 4.4Å; F232-A308 HydrophobicContact CZ-CB 3.68Å; F232-C309 VanDerWaalsContact CZ-O 3.31Å; F232-C309 WeakPolarHBondContact CZ-O 3.34Å
233	A	97.1	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-49.4	177.4	0	0	0	0	0	112.1	I229 T230 S235 C236 F237 F267 I270	I229-A233 PolarHBondContact O-N 3.45Å; T230-A233 PolarHBondContact O-N 2.89Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 2.89Å; A233-C236 PolarHBondContact O-N 3.14Å; A233-C236 VanDerWaalsContact O-N 3.17Å; A233-F237 HydrophobicContact CB-CD2 4.39Å; A233-F237 HydrophobicContact CB-CE2 4.1Å; A233-F237 WeakPolarHBondContact O-CD2 3.38Å; A233-F237 PolarHBondContact O-N 2.84Å; A233-F267 VanDerWaalsContact CA-CZ 3.44Å; A233-F267 HydrophobicContact CB-CD1 4.03Å; A233-F267 HydrophobicContact CB-CD2 3.7Å; A233-F267 HydrophobicContact CB-CE1 3.94Å; A233-F267 HydrophobicContact CB-CE2 3.61Å; A233-F267 HydrophobicContact CB-CG 3.92Å; A233-F267 HydrophobicContact CB-CZ 3.73Å; A233-I270 HydrophobicContact CB-CD1 3.68Å
234	H	95	Very high	95.4	Very high	43 Å²	43	41.8 Å²	41.8	20%	0.199	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-46.9	177.5	-80.5	-65.7	0	0	0	112.1	T230 G231 C236 F237 Q238 Y275	T230-H234 PolarHBondContact O-CD2 3.33Å; T230-H234 PolarHBondContact O-N 3.24Å; G231-H234 PolarHBondContact O-N 3.36Å; H234-C236 PolarHBondContact O-N 2.82Å; H234-F237 PolarHBondContact O-N 3.12Å; H234-Q238 WeakPolarHBondContact O-CB 3.41Å; H234-Q238 VanDerWaalsContact O-CG 3.23Å; H234-Q238 WeakPolarHBondContact O-CG 3.4Å; H234-Q238 PolarHBondContact O-N 3.34Å; H234-Y275 AromaticContact CE1-CE2 3.98Å; H234-Y275 AromaticContact ND1-CE2 3.41Å; H234-Y275 WeakPolarHBondContact ND1-CE2 3.23Å; H234-Y275 AromaticContact ND1-CZ 3.53Å; H234-Y275 PolarHBondContact ND1-OH 3.47Å
235	S	94.1	Very high	95.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-45.6	176.1	-64.4	0	0	0	0	111.8	T147 G231 F232 A233 Y239 V336	T147-S235 WeakPolarHBondContact OG1-CB 3.21Å; T147-S235 PolarHBondContact OG1-OG 2.86Å; G231-S235 PolarHBondContact O-N 3.1Å; G231-S235 PolarHBondContact O-OG 3.07Å; F232-S235 PolarHBondContact O-N 3.43Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 2.89Å; S235-Y239 VanDerWaalsContact O-CB 3.25Å; S235-Y239 WeakPolarHBondContact O-CB 3.09Å; S235-Y239 PolarHBondContact O-N 3.3Å; S235-V336 PolarHBondContact OG-O 2.89Å
236	C	96.8	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-44.6	179.8	-73.4	0	0	0	0	113.1	F232 A233 H234 Y239 A240 L247 F267 A308	F232-C236 WeakPolarHBondContact CE2-SG 3.26Å; F232-C236 PolarHBondContact O-N 2.85Å; F232-C236 PolarHBondContact O-SG 2.83Å; A233-C236 PolarHBondContact O-N 3.14Å; A233-C236 VanDerWaalsContact O-N 3.17Å; H234-C236 PolarHBondContact O-N 2.82Å; C236-Y239 PolarHBondContact O-N 3.37Å; C236-A240 WeakPolarHBondContact O-CB 3.38Å; C236-A240 PolarHBondContact O-N 2.83Å; C236-L247 HydrophobicContact CB-CD1 4.01Å; C236-L247 HydrophobicContact CB-CD2 3.94Å; C236-F267 HydrophobicContact CB-CE1 4.28Å; C236-A308 HydrophobicContact CB-CB 4.28Å
237	F	97.1	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-44.5	178.1	-70.7	-60.8	0	0	0	112.2	A233 H234 Y239 A240 I241 L247 F267 I270 F271 Y275 F279 Y286	A233-F237 HydrophobicContact CB-CD2 4.39Å; A233-F237 HydrophobicContact CB-CE2 4.1Å; A233-F237 WeakPolarHBondContact O-CD2 3.38Å; A233-F237 PolarHBondContact O-N 2.84Å; H234-F237 PolarHBondContact O-N 3.12Å; F237-Y239 VanDerWaalsContact C-N 3.35Å; F237-Y239 PolarHBondContact O-N 3.28Å; F237-A240 PolarHBondContact O-N 2.78Å; F237-I241 WeakPolarHBondContact O-CG1 3.43Å; F237-I241 PolarHBondContact O-N 2.92Å; F237-L247 HydrophobicContact CD1-CD2 3.42Å; F237-L247 VanDerWaalsContact CD1-CD2 3.42Å; F237-L247 HydrophobicContact CE1-CD2 3.5Å; F237-L247 HydrophobicContact CG-CD2 4.09Å; F237-L247 HydrophobicContact CZ-CD2 4.21Å; F237-F267 HydrophobicContact CE2-CD1 4.07Å; F237-F267 AromaticContact CZ-CD1 3.96Å; F237-F267 HydrophobicContact CZ-CD1 3.96Å; F237-F267 WeakPolarHBondContact CZ-O 3.44Å; F237-I270 HydrophobicContact CD2-CG2 3.81Å; F237-I270 HydrophobicContact CE2-CB 4.24Å; F237-I270 HydrophobicContact CE2-CG2 3.78Å; F237-F271 HydrophobicContact CD1-CD2 4.15Å; F237-F271 HydrophobicContact CE1-CB 3.91Å; F237-F271 AromaticContact CE1-CD2 3.6Å; F237-F271 HydrophobicContact CE1-CD2 3.6Å; F237-F271 HydrophobicContact CE1-CG 4.13Å; F237-F271 HydrophobicContact CE2-CB 4.29Å; F237-F271 HydrophobicContact CZ-CB 3.6Å; F237-F271 HydrophobicContact CZ-CD2 4.2Å; F237-F271 HydrophobicContact CZ-CG 4.3Å; F237-Y275 HydrophobicContact CB-CD1 3.75Å; F237-Y275 HydrophobicContact CB-CD2 3.59Å; F237-Y275 HydrophobicContact CB-CE1 3.83Å; F237-Y275 HydrophobicContact CB-CE2 3.68Å; F237-Y275 HydrophobicContact CB-CG 3.61Å; F237-Y275 HydrophobicContact CD1-CD2 4.39Å; F237-Y275 HydrophobicContact CD1-CG 4.41Å; F237-Y275 AromaticContact CD2-CD2 3.5Å; F237-Y275 HydrophobicContact CD2-CD2 3.5Å; F237-Y275 AromaticContact CD2-CE2 3.7Å; F237-Y275 HydrophobicContact CD2-CE2 3.7Å; F237-Y275 HydrophobicContact CD2-CG 4.26Å; F237-Y275 HydrophobicContact CE2-CD2 4.31Å; F237-Y275 HydrophobicContact CG-CD1 4.5Å; F237-Y275 AromaticContact CG-CD2 3.58Å; F237-Y275 HydrophobicContact CG-CD2 3.58Å; F237-Y275 AromaticContact CG-CE2 3.97Å; F237-Y275 HydrophobicContact CG-CE2 3.97Å; F237-Y275 AromaticContact CG-CG 3.87Å; F237-Y275 HydrophobicContact CG-CG 3.87Å; F237-F279 HydrophobicContact CB-CE2 4.28Å; F237-F279 HydrophobicContact CB-CZ 4.48Å; F237-F279 HydrophobicContact CD1-CE1 4.42Å; F237-F279 AromaticContact CD1-CE2 3.91Å; F237-F279 HydrophobicContact CD1-CE2 3.91Å; F237-F279 AromaticContact CD1-CZ 3.65Å; F237-F279 HydrophobicContact CD1-CZ 3.65Å; F237-F279 HydrophobicContact CE1-CZ 4.47Å; F237-Y286 HydrophobicContact CE1-CD1 4.16Å; F237-Y286 AromaticContact CE1-CD2 3.76Å; F237-Y286 HydrophobicContact CE1-CD2 3.76Å; F237-Y286 HydrophobicContact CE1-CE2 4.41Å; F237-Y286 AromaticContact CE1-CG 3.63Å; F237-Y286 HydrophobicContact CE1-CG 3.63Å; F237-Y286 HydrophobicContact CZ-CD1 4.19Å; F237-Y286 HydrophobicContact CZ-CD2 4.09Å; F237-Y286 HydrophobicContact CZ-CE1 4.39Å; F237-Y286 HydrophobicContact CZ-CE2 4.31Å; F237-Y286 HydrophobicContact CZ-CG 4.05Å
238	Q	93.3	Very high	95.8	Very high	71 Å²	71	30.2 Å²	30.2	33%	0.332	16%	0.163	S	C	.	.	H	α-helix	trans	-62.1	-43	176.9	-71.2	168.5	-1.4	0	0	111.4	H234 I241 G242 Y275	H234-Q238 WeakPolarHBondContact O-CB 3.41Å; H234-Q238 VanDerWaalsContact O-CG 3.23Å; H234-Q238 WeakPolarHBondContact O-CG 3.4Å; H234-Q238 PolarHBondContact O-N 3.34Å; Q238-I241 PolarHBondContact O-N 3.32Å; Q238-G242 PolarHBondContact O-N 3.12Å; Q238-Y275 HydrophobicContact CG-CE1 4.09Å
239	Y	93.4	Very high	96.1	Very high	47 Å²	47	29 Å²	29	18%	0.184	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-45	178	-164.8	-83.4	0	0	0	111.6	F149 T170 S235 C236 F237 I241 G242 K243 V306	F149-Y239 HydrophobicContact CB-CD2 4.35Å; F149-Y239 HydrophobicContact CB-CE2 3.87Å; F149-Y239 AromaticContact CD1-CD1 3.77Å; F149-Y239 HydrophobicContact CD1-CD1 3.77Å; F149-Y239 AromaticContact CD1-CD2 3.86Å; F149-Y239 HydrophobicContact CD1-CD2 3.86Å; F149-Y239 HydrophobicContact CD1-CE1 4.05Å; F149-Y239 HydrophobicContact CD1-CE2 4.11Å; F149-Y239 AromaticContact CD1-CG 3.67Å; F149-Y239 HydrophobicContact CD1-CG 3.67Å; F149-Y239 AromaticContact CD2-CD2 3.77Å; F149-Y239 HydrophobicContact CD2-CD2 3.77Å; F149-Y239 HydrophobicContact CD2-CE2 4.1Å; F149-Y239 HydrophobicContact CD2-CG 4.3Å; F149-Y239 AromaticContact CE1-CD1 3.9Å; F149-Y239 HydrophobicContact CE1-CD1 3.9Å; F149-Y239 HydrophobicContact CE1-CD2 4.06Å; F149-Y239 AromaticContact CE1-CG 3.59Å; F149-Y239 HydrophobicContact CE1-CG 3.59Å; F149-Y239 AromaticContact CE2-CD2 3.97Å; F149-Y239 HydrophobicContact CE2-CD2 3.97Å; F149-Y239 HydrophobicContact CE2-CG 4.21Å; F149-Y239 HydrophobicContact CG-CD1 4.38Å; F149-Y239 AromaticContact CG-CD2 3.7Å; F149-Y239 HydrophobicContact CG-CD2 3.7Å; F149-Y239 HydrophobicContact CG-CE1 4.44Å; F149-Y239 AromaticContact CG-CE2 3.75Å; F149-Y239 HydrophobicContact CG-CE2 3.75Å; F149-Y239 HydrophobicContact CG-CG 4.03Å; F149-Y239 HydrophobicContact CZ-CD2 4.12Å; F149-Y239 AromaticContact CZ-CG 3.88Å; F149-Y239 HydrophobicContact CZ-CG 3.88Å; T170-Y239 HydrophobicContact CG2-CD1 4.42Å; T170-Y239 HydrophobicContact CG2-CE1 3.58Å; S235-Y239 VanDerWaalsContact O-CB 3.25Å; S235-Y239 WeakPolarHBondContact O-CB 3.09Å; S235-Y239 PolarHBondContact O-N 3.3Å; C236-Y239 PolarHBondContact O-N 3.37Å; F237-Y239 VanDerWaalsContact C-N 3.35Å; F237-Y239 PolarHBondContact O-N 3.28Å; Y239-I241 PolarHBondContact O-N 2.8Å; Y239-G242 PolarHBondContact O-N 3.25Å; Y239-K243 HydrophobicContact CD1-CG 3.88Å; Y239-K243 HydrophobicContact CE1-CD 4.04Å; Y239-K243 HydrophobicContact CE1-CG 3.58Å; Y239-K243 WeakPolarHBondContact O-CG 3.32Å; Y239-K243 PolarHBondContact O-N 2.93Å; Y239-V306 HydrophobicContact CD1-CG1 4.44Å; Y239-V306 HydrophobicContact CD1-CG2 3.89Å; Y239-V306 HydrophobicContact CE1-CG2 4.4Å
240	A	96.5	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.5	0	0	0	0	0	112.6	C236 F237 K243 K244 W245 L247 F279 V306	C236-A240 WeakPolarHBondContact O-CB 3.38Å; C236-A240 PolarHBondContact O-N 2.83Å; F237-A240 PolarHBondContact O-N 2.78Å; A240-K243 CarbonylContact O-C 3.58Å; A240-K243 PolarHBondContact O-N 3.38Å; A240-K244 WeakPolarHBondContact O-CA 3.17Å; A240-K244 PolarHBondContact O-N 3.32Å; A240-W245 PolarHBondContact O-N 3.36Å; A240-L247 HydrophobicContact CB-CB 4Å; A240-F279 HydrophobicContact CB-CE1 4.48Å; A240-F279 HydrophobicContact CB-CZ 3.91Å; A240-V306 HydrophobicContact CB-CB 4.36Å; A240-V306 HydrophobicContact CB-CG2 4Å
241	I	95.8	Very high	96.3	Very high	39 Å²	39	26.6 Å²	26.6	20%	0.2	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-46.9	172.7	-75.4	166.6	0	0	0	111	F237 Q238 Y239 K243 K244 Y275 E278 F279 L282	F237-I241 WeakPolarHBondContact O-CG1 3.43Å; F237-I241 PolarHBondContact O-N 2.92Å; Q238-I241 PolarHBondContact O-N 3.32Å; Y239-I241 PolarHBondContact O-N 2.8Å; I241-K243 VanDerWaalsContact C-N 3.27Å; I241-K243 PolarHBondContact O-N 2.9Å; I241-K244 PolarHBondContact O-N 2.84Å; I241-Y275 HydrophobicContact CD1-CD1 3.64Å; I241-Y275 HydrophobicContact CD1-CE1 4.23Å; I241-E278 HydrophobicContact CD1-CB 4.16Å; I241-E278 HydrophobicContact CD1-CG 4.01Å; I241-E278 HydrophobicContact CG1-CG 4.32Å; I241-E278 HydrophobicContact CG2-CG 4.25Å; I241-F279 HydrophobicContact CD1-CD2 3.94Å; I241-F279 HydrophobicContact CD1-CE2 3.67Å; I241-F279 HydrophobicContact CG1-CD2 3.83Å; I241-F279 HydrophobicContact CG1-CE2 3.48Å; I241-F279 VanDerWaalsContact CG1-CE2 3.48Å; I241-F279 HydrophobicContact CG1-CZ 4.34Å; I241-L282 HydrophobicContact CB-CD1 4.35Å; I241-L282 HydrophobicContact CG1-CD1 4.29Å; I241-L282 HydrophobicContact CG2-CD1 3.91Å
242	G	91.2	Very high	96.5	Very high	65 Å²	65	29 Å²	29	67%	0.67	15%	0.147	S	C	*	.	H	α-helix	trans	-59.4	-37.8	178.4	0	0	0	0	0	112.9	Q238 Y239	Q238-G242 PolarHBondContact O-N 3.12Å; Y239-G242 PolarHBondContact O-N 3.25Å
243	K	93.6	Very high	96.6	Very high	60 Å²	60	30.4 Å²	30.4	26%	0.261	16%	0.155	S	C	.	.	H	α-helix	trans	-80.4	-15.6	174.7	-64.3	-69.6	-62.7	-160	0	113.6	E151 Y239 A240 I241 W245	E151-K243 IonicContact OE1-NZ 3.92Å; E151-K243 PolarHBondContact OE1-NZ 3.03Å; E151-K243 VanDerWaalsContact OE2-CE 3.31Å; E151-K243 WeakPolarHBondContact OE2-CE 3.37Å; E151-K243 IonicContact OE2-NZ 3.71Å; E151-K243 PolarHBondContact OE2-NZ 2.86Å; Y239-K243 HydrophobicContact CD1-CG 3.88Å; Y239-K243 HydrophobicContact CE1-CD 4.04Å; Y239-K243 HydrophobicContact CE1-CG 3.58Å; Y239-K243 WeakPolarHBondContact O-CG 3.32Å; Y239-K243 PolarHBondContact O-N 2.93Å; A240-K243 CarbonylContact O-C 3.58Å; A240-K243 PolarHBondContact O-N 3.38Å; I241-K243 VanDerWaalsContact C-N 3.27Å; I241-K243 PolarHBondContact O-N 2.9Å; K243-W245 HydrophobicContact CB-CB 4.06Å; K243-W245 HydrophobicContact CB-CD2 3.93Å; K243-W245 HydrophobicContact CB-CE3 4.22Å; K243-W245 HydrophobicContact CB-CG 3.86Å; K243-W245 PolarHBondContact O-N 3.43Å
244	K	97.8	Very high	96.6	Very high	137 Å²	137	33.5 Å²	33.5	60%	0.596	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	43	-167.4	-54.2	177.6	-178.8	175.5	0	111.6	A240 I241 L282 I284	A240-K244 WeakPolarHBondContact O-CA 3.17Å; A240-K244 PolarHBondContact O-N 3.32Å; I241-K244 PolarHBondContact O-N 2.84Å; K244-L282 HydrophobicContact CD-CD2 4.34Å; K244-L282 HydrophobicContact CG-CD2 4.25Å; K244-I284 WeakPolarHBondContact O-CG2 3.41Å
245	W	98.4	Very high	96.8	Very high	41 Å²	41	37.3 Å²	37.3	16%	0.155	19%	0.194	C	C	.	.			trans	-117.8	151.1	-178.7	-72.9	-3.4	0	0	0	111.3	P168 A240 K243 I284 A304	P168-W245 HydrophobicContact CB-CH2 3.83Å; P168-W245 HydrophobicContact CB-CZ3 4.33Å; P168-W245 HydrophobicContact CG-CH2 3.88Å; A240-W245 PolarHBondContact O-N 3.36Å; K243-W245 HydrophobicContact CB-CB 4.06Å; K243-W245 HydrophobicContact CB-CD2 3.93Å; K243-W245 HydrophobicContact CB-CE3 4.22Å; K243-W245 HydrophobicContact CB-CG 3.86Å; K243-W245 PolarHBondContact O-N 3.43Å; W245-I284 WeakPolarHBondContact O-CD1 3.34Å; W245-A304 HydrophobicContact CD2-CB 4.39Å; W245-A304 HydrophobicContact CZ2-CB 4.38Å
246	P	98.7	Very high	97	Very high	17 Å²	17	41.1 Å²	41.1	11%	0.11	21%	0.214	C	C	.	.			trans	-63.1	155.5	170.5	27.9	-34.5	0	0	0	111.6	Y248 W285 A304 F305 V306	P246-Y248 HydrophobicContact CB-CE2 4.39Å; P246-Y248 HydrophobicContact CG-CE2 4.44Å; P246-W285 CarbonylContact C-O 3.5Å; P246-W285 WeakPolarHBondContact CA-O 3.18Å; P246-W285 HydrophobicContact CB-CD2 3.72Å; P246-W285 HydrophobicContact CB-CE3 4.16Å; P246-W285 HydrophobicContact CB-CG 4.13Å; P246-W285 HydrophobicContact CB-CH2 4.29Å; P246-W285 HydrophobicContact CB-CZ2 3.87Å; P246-W285 HydrophobicContact CB-CZ3 4.41Å; P246-W285 HydrophobicContact CG-CH2 4.13Å; P246-W285 HydrophobicContact CG-CZ2 3.92Å; P246-A304 WeakPolarHBondContact CD-O 3.22Å; P246-F305 HydrophobicContact CG-CB 3.97Å; P246-F305 WeakPolarHBondContact O-CA 3.33Å; P246-V306 PolarHBondContact O-N 3.02Å
247	L	98.9	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	-179.9	177.2	65.9	0	0	0	110.6	C236 F237 A240 F279 W285 Y286 E287 V306 A308	C236-L247 HydrophobicContact CB-CD1 4.01Å; C236-L247 HydrophobicContact CB-CD2 3.94Å; F237-L247 HydrophobicContact CD1-CD2 3.42Å; F237-L247 VanDerWaalsContact CD1-CD2 3.42Å; F237-L247 HydrophobicContact CE1-CD2 3.5Å; F237-L247 HydrophobicContact CG-CD2 4.09Å; F237-L247 HydrophobicContact CZ-CD2 4.21Å; A240-L247 HydrophobicContact CB-CB 4Å; L247-F279 HydrophobicContact CB-CE1 4.23Å; L247-F279 HydrophobicContact CB-CZ 4.46Å; L247-W285 PolarHBondContact N-O 3.36Å; L247-Y286 HydrophobicContact CB-CD2 4.33Å; L247-Y286 HydrophobicContact CD2-CD2 3.98Å; L247-Y286 HydrophobicContact CG-CD2 4.03Å; L247-Y286 CarbonylContact O-C 3.59Å; L247-Y286 VanDerWaalsContact O-CA 3.29Å; L247-Y286 WeakPolarHBondContact O-CA 3.45Å; L247-E287 PolarHBondContact O-N 3.09Å; L247-V306 WeakPolarHBondContact CA-O 3.45Å; L247-V306 HydrophobicContact CD1-CB 3.69Å; L247-V306 HydrophobicContact CD1-CG1 3.57Å; L247-A308 HydrophobicContact CD1-CB 4.12Å
248	Y	98.9	Very high	97.1	Very high	20 Å²	20	52.8 Å²	52.8	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.9	170.1	-62.2	-83.1	0	0	0	110.2	P246 W285 E287 R289 M294 F305 V306 W307 A308	P246-Y248 HydrophobicContact CB-CE2 4.39Å; P246-Y248 HydrophobicContact CG-CE2 4.44Å; Y248-W285 AromaticContact CE1-NE1 3.82Å; Y248-W285 AromaticContact CZ-NE1 3.48Å; Y248-W285 WeakPolarHBondContact OH-CZ2 3.5Å; Y248-W285 PolarHBondContact OH-NE1 3.49Å; Y248-E287 VanDerWaalsContact CA-O 3.3Å; Y248-E287 WeakPolarHBondContact CA-O 3.31Å; Y248-E287 HydrophobicContact CD1-CB 3.87Å; Y248-E287 HydrophobicContact CE1-CB 3.96Å; Y248-E287 WeakPolarHBondContact CE1-OE2 3.4Å; Y248-R289 HydrophobicContact CD1-CG 4.45Å; Y248-M294 HydrophobicContact CD1-SD 4.41Å; Y248-M294 HydrophobicContact CD2-CE 4.06Å; Y248-M294 HydrophobicContact CG-CE 3.86Å; Y248-M294 HydrophobicContact CG-SD 4.1Å; Y248-F305 HydrophobicContact CD2-CB 3.89Å; Y248-F305 AromaticContact CD2-CD2 3.77Å; Y248-F305 HydrophobicContact CD2-CD2 3.77Å; Y248-F305 AromaticContact CD2-CG 3.92Å; Y248-F305 HydrophobicContact CD2-CG 3.92Å; Y248-F305 HydrophobicContact CE2-CB 3.79Å; Y248-F305 HydrophobicContact CE2-CD1 4.5Å; Y248-F305 HydrophobicContact CE2-CD2 4.25Å; Y248-F305 AromaticContact CE2-CG 3.94Å; Y248-F305 HydrophobicContact CE2-CG 3.94Å; Y248-V306 PolarHBondContact N-O 2.87Å; Y248-W307 CarbonylContact O-C 3.52Å; Y248-W307 WeakPolarHBondContact O-CA 3.43Å; Y248-A308 PolarHBondContact O-N 3.47Å
249	M	98.8	Very high	97.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.7	170.4	-170.1	-80.4	-78.6	0	0	109.8	T251 F263 K264 F267 Y286 E287 H288 R289 A308	M249-T251 HydrophobicContact CE-CG2 3.84Å; M249-T251 HydrophobicContact SD-CG2 3.29Å; M249-T251 WeakPolarHBondContact SD-CG2 3.49Å; M249-F263 HydrophobicContact CE-CB 4.13Å; M249-K264 HydrophobicContact CE-CB 4.31Å; M249-F267 HydrophobicContact CB-CD1 4.02Å; M249-F267 HydrophobicContact CB-CE1 4.1Å; M249-F267 HydrophobicContact CE-CB 4.15Å; M249-F267 HydrophobicContact CE-CD2 4.06Å; M249-F267 HydrophobicContact CE-CG 4.04Å; M249-F267 HydrophobicContact CG-CD1 3.94Å; M249-F267 HydrophobicContact CG-CD2 4.31Å; M249-F267 HydrophobicContact CG-CE1 3.8Å; M249-F267 HydrophobicContact CG-CE2 4.19Å; M249-F267 HydrophobicContact CG-CG 4.19Å; M249-F267 HydrophobicContact CG-CZ 3.93Å; M249-Y286 HydrophobicContact CB-CE2 3.87Å; M249-E287 PolarHBondContact N-O 2.94Å; M249-H288 CarbonylContact O-C 3.59Å; M249-H288 WeakPolarHBondContact O-CA 3.17Å; M249-H288 PolarHBondContact O-CD2 3.43Å; M249-R289 PolarHBondContact O-N 2.81Å; M249-A308 WeakPolarHBondContact CA-O 3.46Å; M249-A308 HydrophobicContact CB-CB 3.95Å; M249-A308 HydrophobicContact CG-CB 3.86Å
250	S	98.8	Very high	97.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.5	-175.3	58.1	0	0	0	0	113.4	R289 I291 W307 A308	S250-R289 VanDerWaalsContact CA-O 3.28Å; S250-R289 WeakPolarHBondContact CA-O 3.41Å; S250-I291 WeakPolarHBondContact OG-CD1 3.38Å; S250-W307 PolarHBondContact OG-NE1 3.43Å; S250-A308 PolarHBondContact N-O 2.8Å
251	T	98.8	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-179.8	172	74.4	0	0	0	0	112.1	M249 N253 D260 F263 H288 R289 L290 I291 K310	M249-T251 HydrophobicContact CE-CG2 3.84Å; M249-T251 HydrophobicContact SD-CG2 3.29Å; M249-T251 WeakPolarHBondContact SD-CG2 3.49Å; T251-N253 PolarHBondContact OG1-N 3.26Å; T251-D260 HydrophobicContact CG2-CB 4.4Å; T251-F263 HydrophobicContact CG2-CB 4.06Å; T251-H288 PolarHBondContact OG1-NE2 3.04Å; T251-R289 PolarHBondContact N-O 3.35Å; T251-R289 VanDerWaalsContact N-O 3.16Å; T251-L290 CarbonylContact O-C 3.58Å; T251-L290 WeakPolarHBondContact O-CA 3.48Å; T251-I291 PolarHBondContact O-N 2.98Å; T251-K310 HydrophobicContact CG2-CD 4.37Å
252	K	98.5	Very high	97.9	Very high	64 Å²	64	53.3 Å²	53.3	28%	0.278	28%	0.28	S	S	.	.			trans	-114.7	46.4	167.6	-157.3	76.1	-172	-179.2	0	111.6	T254 I255 L256 D260 I291 D292	K252-T254 PolarHBondContact O-N 3.11Å; K252-T254 VanDerWaalsContact O-N 3.09Å; K252-I255 HydrophobicContact CG-CB 4.07Å; K252-I255 HydrophobicContact CG-CG1 3.85Å; K252-I255 PolarHBondContact O-N 2.88Å; K252-L256 PolarHBondContact O-N 3.43Å; K252-D260 WeakPolarHBondContact CA-OD2 3.3Å; K252-D260 PolarHBondContact N-OD2 3.17Å; K252-I291 HydrophobicContact CB-CG2 4.24Å; K252-I291 HydrophobicContact CD-CG2 3.71Å; K252-D292 IonicContact NZ-OD1 3.99Å; K252-D292 PolarHBondContact NZ-OD1 3.49Å; K252-D292 IonicContact NZ-OD2 2.74Å; K252-D292 PolarHBondContact NZ-OD2 3.4Å
253	N	98.3	Very high	98.2	Very high	32 Å²	32	50.2 Å²	50.2	17%	0.171	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14	-176.3	78.5	-53.1	0	0	0	115.3	T251 I255 K257 D260 H288 L290	T251-N253 PolarHBondContact OG1-N 3.26Å; N253-I255 PolarHBondContact O-N 2.87Å; N253-K257 WeakPolarHBondContact O-CA 3.46Å; N253-D260 HydrophobicContact CB-CB 3.82Å; N253-H288 PolarHBondContact OD1-CE1 2.93Å; N253-H288 VanDerWaalsContact OD1-CE1 3.29Å; N253-L290 WeakPolarHBondContact OD1-CD2 3.25Å
254	T	96.7	Very high	98.5	Very high	65 Å²	65	50.9 Å²	50.9	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	169.3	45.4	0	0	0	0	112.4	K252 K257 L290	K252-T254 PolarHBondContact O-N 3.11Å; K252-T254 VanDerWaalsContact O-N 3.09Å; T254-K257 PolarHBondContact O-NZ 3.4Å; T254-L290 HydrophobicContact CG2-CD1 3.82Å; T254-L290 HydrophobicContact CG2-CD2 3.91Å
255	I	98.4	Very high	98.5	Very high	123 Å²	123	48.2 Å²	48.2	63%	0.631	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-57.5	177.6	-55.2	-57.2	0	0	0	110	K252 N253 K257	K252-I255 HydrophobicContact CG-CB 4.07Å; K252-I255 HydrophobicContact CG-CG1 3.85Å; K252-I255 PolarHBondContact O-N 2.88Å; N253-I255 PolarHBondContact O-N 2.87Å; I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.43Å
256	L	98.1	Very high	98.5	Very high	82 Å²	82	46.6 Å²	46.6	43%	0.429	24%	0.237	S	C	.	.	S	Bend	trans	-87.9	65.4	179.5	-63.8	-179	0	0	0	111	K252 A258 Y259 D260 G261	K252-L256 PolarHBondContact O-N 3.43Å; L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.47Å; L256-Y259 PolarHBondContact O-N 3.43Å; L256-D260 HydrophobicContact CB-CB 3.93Å; L256-D260 WeakPolarHBondContact O-CB 3.47Å; L256-D260 PolarHBondContact O-N 2.93Å; L256-G261 PolarHBondContact O-N 2.89Å
257	K	98.2	Very high	98.5	Very high	157 Å²	157	45.8 Å²	45.8	68%	0.683	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.1	-168.8	-59.2	-174.1	-170.6	-58.8	0	114.3	N253 T254 I255 G261	N253-K257 WeakPolarHBondContact O-CA 3.46Å; T254-K257 PolarHBondContact O-NZ 3.4Å; I255-K257 VanDerWaalsContact C-N 3.29Å; I255-K257 PolarHBondContact O-N 3.43Å; K257-G261 VanDerWaalsContact O-CA 3.31Å; K257-G261 WeakPolarHBondContact O-CA 3.49Å; K257-G261 PolarHBondContact O-N 2.8Å
258	A	98.4	Very high	98.5	Very high	87 Å²	87	49 Å²	49	72%	0.719	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-55.4	177.2	0	0	0	0	0	111.5	L256 G261 R262	L256-A258 VanDerWaalsContact C-N 3.32Å; L256-A258 PolarHBondContact O-N 3.47Å; A258-G261 PolarHBondContact O-N 2.95Å; A258-R262 PolarHBondContact O-N 3.11Å
259	Y	98.8	Very high	98.5	Very high	61 Å²	61	52.9 Å²	52.9	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-55.8	-172.4	-162.6	-78.3	0	0	0	112.3	D178 M222 Y223 N224 L256 R262 F263	D178-Y259 PolarHBondContact OD1-OH 3.33Å; M222-Y259 HydrophobicContact CG-CE2 4.34Å; Y223-Y259 PolarHBondContact O-OH 2.97Å; N224-Y259 PolarHBondContact N-OH 3.15Å; L256-Y259 PolarHBondContact O-N 3.43Å; Y259-R262 WeakPolarHBondContact O-CB 3.41Å; Y259-R262 PolarHBondContact O-N 3.17Å; Y259-F263 HydrophobicContact CD1-CE2 4.28Å; Y259-F263 AromaticContact CE1-CE2 3.97Å; Y259-F263 HydrophobicContact CE1-CE2 3.97Å; Y259-F263 WeakPolarHBondContact O-CD2 3.3Å
260	D	98.7	Very high	98.5	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-81	-22.2	-179.6	-78.9	17.2	0	0	0	112.2	T251 K252 N253 L256 R262 F263 K264 K310	T251-D260 HydrophobicContact CG2-CB 4.4Å; K252-D260 WeakPolarHBondContact CA-OD2 3.3Å; K252-D260 PolarHBondContact N-OD2 3.17Å; N253-D260 HydrophobicContact CB-CB 3.82Å; L256-D260 HydrophobicContact CB-CB 3.93Å; L256-D260 WeakPolarHBondContact O-CB 3.47Å; L256-D260 PolarHBondContact O-N 2.93Å; D260-R262 VanDerWaalsContact C-N 3.28Å; D260-F263 PolarHBondContact O-N 3.44Å; D260-K264 PolarHBondContact O-N 2.83Å; D260-K310 WeakPolarHBondContact OD1-CE 3.24Å; D260-K310 IonicContact OD1-NZ 2.87Å; D260-K310 PolarHBondContact OD1-NZ 2.93Å; D260-K310 IonicContact OD2-NZ 2.82Å
261	G	98.7	Very high	98.5	Very high	6 Å²	6	54.2 Å²	54.2	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-41.6	167.2	0	0	0	0	0	111.2	L256 K257 A258 F263 K264 D265	L256-G261 PolarHBondContact O-N 2.89Å; K257-G261 VanDerWaalsContact O-CA 3.31Å; K257-G261 WeakPolarHBondContact O-CA 3.49Å; K257-G261 PolarHBondContact O-N 2.8Å; A258-G261 PolarHBondContact O-N 2.95Å; G261-F263 VanDerWaalsContact C-N 3.34Å; G261-F263 PolarHBondContact O-N 3.48Å; G261-K264 WeakPolarHBondContact O-CB 3.49Å; G261-K264 PolarHBondContact O-N 3.41Å; G261-K264 VanDerWaalsContact O-N 3.09Å; G261-D265 PolarHBondContact O-N 3.44Å
262	R	98.8	Very high	98.5	Very high	98 Å²	98	58.9 Å²	58.9	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-40	179.3	-167.3	66	-174.9	138.1	-3.8	113.1	D226 A258 Y259 D260 D265 I266	D226-R262 WeakPolarHBondContact OD1-CG 3.26Å; D226-R262 IonicContact OD1-CZ 3.91Å; D226-R262 IonicContact OD1-NE 3.73Å; D226-R262 PolarHBondContact OD1-NE 3.01Å; D226-R262 IonicContact OD1-NH2 3.17Å; D226-R262 IonicContact OD2-CZ 3.83Å; D226-R262 IonicContact OD2-NE 2.87Å; D226-R262 PolarHBondContact OD2-NE 2.77Å; D226-R262 IonicContact OD2-NH2 2.89Å; D226-R262 PolarHBondContact OD2-NH2 3.48Å; A258-R262 PolarHBondContact O-N 3.11Å; Y259-R262 WeakPolarHBondContact O-CB 3.41Å; Y259-R262 PolarHBondContact O-N 3.17Å; D260-R262 VanDerWaalsContact C-N 3.28Å; R262-D265 PolarHBondContact O-N 3.06Å; R262-I266 HydrophobicContact CG-CD1 3.9Å; R262-I266 HydrophobicContact CG-CG1 4.49Å; R262-I266 WeakPolarHBondContact O-CB 2.97Å; R262-I266 VanDerWaalsContact O-CG1 3.29Å; R262-I266 WeakPolarHBondContact O-CG1 3.38Å; R262-I266 PolarHBondContact O-N 3.12Å
263	F	98.8	Very high	98.5	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-48.4	172.3	-83.3	-100.2	0	0	0	111.9	H174 N224 I229 M249 T251 Y259 D260 G261 F267 K310	H174-F263 AromaticContact CE1-CE1 3.74Å; H174-F263 AromaticContact CE1-CZ 3.78Å; H174-F263 AromaticContact ND1-CE1 3.26Å; H174-F263 VanDerWaalsContact ND1-CE1 3.26Å; H174-F263 WeakPolarHBondContact ND1-CE1 3.49Å; H174-F263 AromaticContact ND1-CZ 3.48Å; H174-F263 WeakPolarHBondContact ND1-CZ 3.43Å; N224-F263 HydrophobicContact CB-CE2 4.38Å; N224-F263 HydrophobicContact CB-CZ 4.42Å; I229-F263 HydrophobicContact CD1-CD1 4.33Å; I229-F263 HydrophobicContact CD1-CD2 3.75Å; I229-F263 HydrophobicContact CD1-CE1 4.17Å; I229-F263 HydrophobicContact CD1-CE2 3.55Å; I229-F263 HydrophobicContact CD1-CG 4.14Å; I229-F263 HydrophobicContact CD1-CZ 3.79Å; I229-F263 HydrophobicContact CG1-CD1 4.13Å; I229-F263 HydrophobicContact CG1-CD2 4.38Å; I229-F263 HydrophobicContact CG1-CE1 3.74Å; I229-F263 HydrophobicContact CG1-CE2 4.01Å; I229-F263 HydrophobicContact CG1-CG 4.44Å; I229-F263 HydrophobicContact CG1-CZ 3.68Å; I229-F263 HydrophobicContact CG2-CD1 3.81Å; I229-F263 HydrophobicContact CG2-CE1 4.19Å; I229-F263 HydrophobicContact CG2-CG 4.17Å; M249-F263 HydrophobicContact CE-CB 4.13Å; T251-F263 HydrophobicContact CG2-CB 4.06Å; Y259-F263 HydrophobicContact CD1-CE2 4.28Å; Y259-F263 AromaticContact CE1-CE2 3.97Å; Y259-F263 HydrophobicContact CE1-CE2 3.97Å; Y259-F263 WeakPolarHBondContact O-CD2 3.3Å; D260-F263 PolarHBondContact O-N 3.44Å; G261-F263 VanDerWaalsContact C-N 3.34Å; G261-F263 PolarHBondContact O-N 3.48Å; F263-F267 VanDerWaalsContact O-CD2 3.29Å; F263-F267 WeakPolarHBondContact O-CD2 3.44Å; F263-F267 PolarHBondContact O-N 2.96Å; F263-F267 VanDerWaalsContact O-N 3.09Å; F263-K310 HydrophobicContact CD1-CG 4.23Å; F263-K310 HydrophobicContact CE1-CG 4.05Å; F263-K310 HydrophobicContact CZ-CG 4.33Å
264	K	98.8	Very high	98.4	Very high	73 Å²	73	66.5 Å²	66.5	32%	0.317	33%	0.33	S	S	.	.	H	α-helix	trans	-59.1	-49.6	178.7	-179.6	-171.8	176.1	-174	0	111.2	M249 D260 G261 F267 Q268 H288	M249-K264 HydrophobicContact CE-CB 4.31Å; D260-K264 PolarHBondContact O-N 2.83Å; G261-K264 WeakPolarHBondContact O-CB 3.49Å; G261-K264 PolarHBondContact O-N 3.41Å; G261-K264 VanDerWaalsContact O-N 3.09Å; K264-F267 PolarHBondContact O-N 3.41Å; K264-Q268 WeakPolarHBondContact O-CB 3.45Å; K264-Q268 PolarHBondContact O-N 2.96Å; K264-H288 HydrophobicContact CG-CB 4.2Å
265	D	98.8	Very high	98.5	Very high	82 Å²	82	64.4 Å²	64.4	44%	0.439	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-46.8	-176	-63.1	-15	0	0	0	111	G261 R262 F267 Q268 D269	G261-D265 PolarHBondContact O-N 3.44Å; R262-D265 PolarHBondContact O-N 3.06Å; D265-F267 PolarHBondContact O-N 3.49Å; D265-Q268 PolarHBondContact O-N 2.94Å; D265-D269 WeakPolarHBondContact O-CB 3.39Å; D265-D269 VanDerWaalsContact O-CG 3.3Å; D265-D269 PolarHBondContact O-N 2.85Å
266	I	98.8	Very high	98.5	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-45.2	178.3	-70.5	172.1	0	0	0	111.5	D226 I229 R262 Q268 I270	D226-I266 HydrophobicContact CB-CD1 4.06Å; I229-I266 HydrophobicContact CB-CD1 3.94Å; I229-I266 HydrophobicContact CD1-CD1 4.24Å; I229-I266 HydrophobicContact CG2-CB 3.97Å; I229-I266 HydrophobicContact CG2-CD1 3.82Å; I229-I266 HydrophobicContact CG2-CG1 4.5Å; I229-I266 HydrophobicContact CG2-CG2 3.84Å; R262-I266 HydrophobicContact CG-CD1 3.9Å; R262-I266 HydrophobicContact CG-CG1 4.49Å; R262-I266 WeakPolarHBondContact O-CB 2.97Å; R262-I266 VanDerWaalsContact O-CG1 3.29Å; R262-I266 WeakPolarHBondContact O-CG1 3.38Å; R262-I266 PolarHBondContact O-N 3.12Å; I266-Q268 VanDerWaalsContact C-N 3.35Å; I266-Q268 PolarHBondContact O-N 3.41Å; I266-I270 HydrophobicContact CG2-CD1 3.59Å; I266-I270 HydrophobicContact CG2-CG1 4.45Å; I266-I270 WeakPolarHBondContact O-CB 3.48Å; I266-I270 WeakPolarHBondContact O-CD1 3.21Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.41Å; I266-I270 PolarHBondContact O-N 3.48Å
267	F	98.8	Very high	98.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-42.5	177.6	-92.2	-109.9	0	0	0	111.9	I229 F232 A233 C236 F237 M249 F263 K264 D265 F271 Y286 A308	I229-F267 HydrophobicContact CG2-CD2 4.46Å; I229-F267 HydrophobicContact CG2-CE2 4.37Å; F232-F267 AromaticContact CD1-CE2 3.49Å; F232-F267 HydrophobicContact CD1-CE2 3.49Å; F232-F267 VanDerWaalsContact CD1-CE2 3.49Å; F232-F267 AromaticContact CD1-CZ 3.42Å; F232-F267 HydrophobicContact CD1-CZ 3.42Å; F232-F267 VanDerWaalsContact CD1-CZ 3.42Å; F232-F267 AromaticContact CE1-CE2 3.72Å; F232-F267 HydrophobicContact CE1-CE2 3.72Å; F232-F267 AromaticContact CE1-CZ 3.38Å; F232-F267 HydrophobicContact CE1-CZ 3.38Å; F232-F267 HydrophobicContact CG-CE2 4.43Å; F232-F267 HydrophobicContact CG-CZ 4.15Å; F232-F267 HydrophobicContact CZ-CZ 4.1Å; A233-F267 VanDerWaalsContact CA-CZ 3.44Å; A233-F267 HydrophobicContact CB-CD1 4.03Å; A233-F267 HydrophobicContact CB-CD2 3.7Å; A233-F267 HydrophobicContact CB-CE1 3.94Å; A233-F267 HydrophobicContact CB-CE2 3.61Å; A233-F267 HydrophobicContact CB-CG 3.92Å; A233-F267 HydrophobicContact CB-CZ 3.73Å; C236-F267 HydrophobicContact CB-CE1 4.28Å; F237-F267 HydrophobicContact CE2-CD1 4.07Å; F237-F267 AromaticContact CZ-CD1 3.96Å; F237-F267 HydrophobicContact CZ-CD1 3.96Å; F237-F267 WeakPolarHBondContact CZ-O 3.44Å; M249-F267 HydrophobicContact CB-CD1 4.02Å; M249-F267 HydrophobicContact CB-CE1 4.1Å; M249-F267 HydrophobicContact CE-CB 4.15Å; M249-F267 HydrophobicContact CE-CD2 4.06Å; M249-F267 HydrophobicContact CE-CG 4.04Å; M249-F267 HydrophobicContact CG-CD1 3.94Å; M249-F267 HydrophobicContact CG-CD2 4.31Å; M249-F267 HydrophobicContact CG-CE1 3.8Å; M249-F267 HydrophobicContact CG-CE2 4.19Å; M249-F267 HydrophobicContact CG-CG 4.19Å; M249-F267 HydrophobicContact CG-CZ 3.93Å; F263-F267 VanDerWaalsContact O-CD2 3.29Å; F263-F267 WeakPolarHBondContact O-CD2 3.44Å; F263-F267 PolarHBondContact O-N 2.96Å; F263-F267 VanDerWaalsContact O-N 3.09Å; K264-F267 PolarHBondContact O-N 3.41Å; D265-F267 PolarHBondContact O-N 3.49Å; F267-F271 VanDerWaalsContact O-CB 3.31Å; F267-F271 WeakPolarHBondContact O-CB 3.41Å; F267-F271 PolarHBondContact O-N 2.98Å; F267-Y286 HydrophobicContact CB-CE1 4.36Å; F267-Y286 HydrophobicContact CB-CE2 4.49Å; F267-Y286 WeakPolarHBondContact CB-OH 3.38Å; F267-Y286 AromaticContact CD1-CE2 3.97Å; F267-Y286 HydrophobicContact CD1-CE2 3.97Å; F267-A308 HydrophobicContact CE1-CB 4.01Å; F267-A308 HydrophobicContact CZ-CB 4.21Å
268	Q	98.8	Very high	98.5	Very high	68 Å²	68	57.7 Å²	57.7	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-48	179	-171.6	66	45.6	0	0	111.3	K264 D265 I266 I270 F271 E272	K264-Q268 WeakPolarHBondContact O-CB 3.45Å; K264-Q268 PolarHBondContact O-N 2.96Å; D265-Q268 PolarHBondContact O-N 2.94Å; I266-Q268 VanDerWaalsContact C-N 3.35Å; I266-Q268 PolarHBondContact O-N 3.41Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; Q268-I270 PolarHBondContact O-N 2.94Å; Q268-F271 PolarHBondContact O-N 3.46Å; Q268-E272 PolarHBondContact NE2-OE1 2.85Å; Q268-E272 WeakPolarHBondContact O-CG 3.29Å; Q268-E272 PolarHBondContact O-N 3.47Å
269	D	98.7	Very high	98.5	Very high	101 Å²	101	53.6 Å²	53.6	54%	0.54	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-44.2	179.7	-73.3	-13.5	0	0	0	111.4	D265 K273	D265-D269 WeakPolarHBondContact O-CB 3.39Å; D265-D269 VanDerWaalsContact O-CG 3.3Å; D265-D269 PolarHBondContact O-N 2.85Å; D269-K273 WeakPolarHBondContact O-CB 3.49Å; D269-K273 PolarHBondContact O-N 3.47Å; D269-K273 VanDerWaalsContact O-N 3.09Å
270	I	98.3	Very high	98.5	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-42.5	178	-71.2	168.8	0	0	0	111.2	T230 A233 F237 I266 Q268 K273 H274 Y275	T230-I270 HydrophobicContact CG2-CD1 3.82Å; A233-I270 HydrophobicContact CB-CD1 3.68Å; F237-I270 HydrophobicContact CD2-CG2 3.81Å; F237-I270 HydrophobicContact CE2-CB 4.24Å; F237-I270 HydrophobicContact CE2-CG2 3.78Å; I266-I270 HydrophobicContact CG2-CD1 3.59Å; I266-I270 HydrophobicContact CG2-CG1 4.45Å; I266-I270 WeakPolarHBondContact O-CB 3.48Å; I266-I270 WeakPolarHBondContact O-CD1 3.21Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.41Å; I266-I270 PolarHBondContact O-N 3.48Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; Q268-I270 PolarHBondContact O-N 2.94Å; I270-K273 PolarHBondContact O-N 3.43Å; I270-H274 WeakPolarHBondContact O-CB 3.03Å; I270-H274 PolarHBondContact O-N 3.31Å; I270-Y275 HydrophobicContact CG2-CD2 3.72Å; I270-Y275 HydrophobicContact CG2-CE2 3.51Å
271	F	98.8	Very high	98.5	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.066	29%	0.294	C	S	.	.	I	π-helix	trans	-58.1	-54.9	178.4	176.7	-112.9	0	0	0	111.3	F237 F267 Q268 K273 Y275 K276 F279 Y286	F237-F271 HydrophobicContact CD1-CD2 4.15Å; F237-F271 HydrophobicContact CE1-CB 3.91Å; F237-F271 AromaticContact CE1-CD2 3.6Å; F237-F271 HydrophobicContact CE1-CD2 3.6Å; F237-F271 HydrophobicContact CE1-CG 4.13Å; F237-F271 HydrophobicContact CE2-CB 4.29Å; F237-F271 HydrophobicContact CZ-CB 3.6Å; F237-F271 HydrophobicContact CZ-CD2 4.2Å; F237-F271 HydrophobicContact CZ-CG 4.3Å; F267-F271 VanDerWaalsContact O-CB 3.31Å; F267-F271 WeakPolarHBondContact O-CB 3.41Å; F267-F271 PolarHBondContact O-N 2.98Å; Q268-F271 PolarHBondContact O-N 3.46Å; F271-K273 VanDerWaalsContact C-N 3.33Å; F271-K273 PolarHBondContact O-N 3.21Å; F271-Y275 PolarHBondContact O-N 3.45Å; F271-K276 HydrophobicContact CD1-CB 4.37Å; F271-K276 HydrophobicContact CE1-CB 3.97Å; F271-K276 HydrophobicContact CE1-CD 4.22Å; F271-K276 HydrophobicContact CE1-CG 3.92Å; F271-K276 HydrophobicContact CE2-CB 4.26Å; F271-K276 HydrophobicContact CZ-CB 3.91Å; F271-K276 HydrophobicContact CZ-CG 3.89Å; F271-K276 PolarHBondContact O-N 3.27Å; F271-F279 HydrophobicContact CE2-CB 3.93Å; F271-F279 AromaticContact CE2-CD1 3.84Å; F271-F279 HydrophobicContact CE2-CD1 3.84Å; F271-F279 HydrophobicContact CE2-CD2 4.21Å; F271-F279 HydrophobicContact CE2-CE1 4.42Å; F271-F279 AromaticContact CE2-CG 3.73Å; F271-F279 HydrophobicContact CE2-CG 3.73Å; F271-F279 HydrophobicContact CZ-CB 4.37Å; F271-Y286 HydrophobicContact CB-CD1 3.84Å; F271-Y286 HydrophobicContact CB-CE1 4.35Å; F271-Y286 AromaticContact CD1-CD1 3.88Å; F271-Y286 HydrophobicContact CD1-CD1 3.88Å; F271-Y286 HydrophobicContact CD2-CD1 4.14Å; F271-Y286 HydrophobicContact CD2-CG 4.17Å; F271-Y286 HydrophobicContact CE1-CD1 4.49Å; F271-Y286 AromaticContact CG-CD1 3.67Å; F271-Y286 HydrophobicContact CG-CD1 3.67Å; F271-Y286 HydrophobicContact CG-CG 4.18Å
272	E	98.6	Very high	98.5	Very high	99 Å²	99	63.3 Å²	63.3	46%	0.463	30%	0.302	S	S	.	.	I	π-helix	trans	-60.6	-42.6	-178.1	-68.1	-63	160.6	0	0	111.7	Q268 K276	Q268-E272 PolarHBondContact NE2-OE1 2.85Å; Q268-E272 WeakPolarHBondContact O-CG 3.29Å; Q268-E272 PolarHBondContact O-N 3.47Å; E272-K276 VanDerWaalsContact OE2-CD 3.28Å; E272-K276 WeakPolarHBondContact OE2-CD 3.4Å
273	K	98.3	Very high	98.5	Very high	161 Å²	161	67.4 Å²	67.4	70%	0.7	32%	0.322	S	S	*	.	I	π-helix	trans	-76	-36.4	-175.3	-174	176.9	171.7	-170.5	0	113.7	D269 I270 F271	D269-K273 WeakPolarHBondContact O-CB 3.49Å; D269-K273 PolarHBondContact O-N 3.47Å; D269-K273 VanDerWaalsContact O-N 3.09Å; I270-K273 PolarHBondContact O-N 3.43Å; F271-K273 VanDerWaalsContact C-N 3.33Å; F271-K273 PolarHBondContact O-N 3.21Å
274	H	96.9	Very high	98.5	Very high	94 Å²	94	68 Å²	68	44%	0.435	33%	0.326	S	S	.	.	I	π-helix	trans	-121.2	-29.6	-165.4	-65.5	-72.5	0	0	0	115.2	I270	I270-H274 WeakPolarHBondContact O-CB 3.03Å; I270-H274 PolarHBondContact O-N 3.31Å
275	Y	97.9	Very high	98.5	Very high	22 Å²	22	70.6 Å²	70.6	9%	0.086	33%	0.333	C	S	.	.	I	π-helix	trans	-122.2	-23.5	-163.6	-65.8	-72.1	0	0	0	114.8	H234 F237 Q238 I241 I270 F271 P277 E278 F279	H234-Y275 AromaticContact CE1-CE2 3.98Å; H234-Y275 AromaticContact ND1-CE2 3.41Å; H234-Y275 WeakPolarHBondContact ND1-CE2 3.23Å; H234-Y275 AromaticContact ND1-CZ 3.53Å; H234-Y275 PolarHBondContact ND1-OH 3.47Å; F237-Y275 HydrophobicContact CB-CD1 3.75Å; F237-Y275 HydrophobicContact CB-CD2 3.59Å; F237-Y275 HydrophobicContact CB-CE1 3.83Å; F237-Y275 HydrophobicContact CB-CE2 3.68Å; F237-Y275 HydrophobicContact CB-CG 3.61Å; F237-Y275 HydrophobicContact CD1-CD2 4.39Å; F237-Y275 HydrophobicContact CD1-CG 4.41Å; F237-Y275 AromaticContact CD2-CD2 3.5Å; F237-Y275 HydrophobicContact CD2-CD2 3.5Å; F237-Y275 AromaticContact CD2-CE2 3.7Å; F237-Y275 HydrophobicContact CD2-CE2 3.7Å; F237-Y275 HydrophobicContact CD2-CG 4.26Å; F237-Y275 HydrophobicContact CE2-CD2 4.31Å; F237-Y275 HydrophobicContact CG-CD1 4.5Å; F237-Y275 AromaticContact CG-CD2 3.58Å; F237-Y275 HydrophobicContact CG-CD2 3.58Å; F237-Y275 AromaticContact CG-CE2 3.97Å; F237-Y275 HydrophobicContact CG-CE2 3.97Å; F237-Y275 AromaticContact CG-CG 3.87Å; F237-Y275 HydrophobicContact CG-CG 3.87Å; Q238-Y275 HydrophobicContact CG-CE1 4.09Å; I241-Y275 HydrophobicContact CD1-CD1 3.64Å; I241-Y275 HydrophobicContact CD1-CE1 4.23Å; I270-Y275 HydrophobicContact CG2-CD2 3.72Å; I270-Y275 HydrophobicContact CG2-CE2 3.51Å; F271-Y275 PolarHBondContact O-N 3.45Å; Y275-P277 VanDerWaalsContact C-CD 3.49Å; Y275-E278 PolarHBondContact O-N 2.95Å; Y275-E278 VanDerWaalsContact O-N 3.12Å; Y275-F279 WeakPolarHBondContact O-CD2 3.2Å; Y275-F279 PolarHBondContact O-N 3.01Å
276	K	98.5	Very high	98.5	Very high	67 Å²	67	67.6 Å²	67.6	29%	0.291	32%	0.316	S	S	.	.	H	α-helix	trans	-51.4	-45.6	-178.3	-173.2	179.2	-171.8	-33.8	0	113.6	F271 E272 E278 F279 D280	F271-K276 HydrophobicContact CD1-CB 4.37Å; F271-K276 HydrophobicContact CE1-CB 3.97Å; F271-K276 HydrophobicContact CE1-CD 4.22Å; F271-K276 HydrophobicContact CE1-CG 3.92Å; F271-K276 HydrophobicContact CE2-CB 4.26Å; F271-K276 HydrophobicContact CZ-CB 3.91Å; F271-K276 HydrophobicContact CZ-CG 3.89Å; F271-K276 PolarHBondContact O-N 3.27Å; E272-K276 VanDerWaalsContact OE2-CD 3.28Å; E272-K276 WeakPolarHBondContact OE2-CD 3.4Å; K276-E278 PolarHBondContact O-N 3.28Å; K276-F279 PolarHBondContact O-N 3.08Å; K276-D280 VanDerWaalsContact NZ-CG 3.26Å; K276-D280 IonicContact NZ-OD1 3.77Å; K276-D280 PolarHBondContact NZ-OD1 3.09Å; K276-D280 IonicContact NZ-OD2 3.19Å; K276-D280 PolarHBondContact NZ-OD2 2.95Å; K276-D280 WeakPolarHBondContact O-CB 3.37Å; K276-D280 VanDerWaalsContact O-CG 3.23Å; K276-D280 PolarHBondContact O-N 2.93Å
277	P	98.6	Very high	98.5	Very high	91 Å²	91	70.4 Å²	70.4	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-60.5	-40.2	179.4	-24.8	35.5	0	0	0	114	Y275 K281	Y275-P277 VanDerWaalsContact C-CD 3.49Å; P277-K281 WeakPolarHBondContact O-CB 3.32Å; P277-K281 PolarHBondContact O-N 3.37Å; P277-K281 VanDerWaalsContact O-N 3.12Å
278	E	98.1	Very high	98.5	Very high	63 Å²	63	71.9 Å²	71.9	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-75.6	-35.4	179.8	-168.7	63.5	-154.8	0	0	111.3	I241 Y275 K276 K281 L282	I241-E278 HydrophobicContact CD1-CB 4.16Å; I241-E278 HydrophobicContact CD1-CG 4.01Å; I241-E278 HydrophobicContact CG1-CG 4.32Å; I241-E278 HydrophobicContact CG2-CG 4.25Å; Y275-E278 PolarHBondContact O-N 2.95Å; Y275-E278 VanDerWaalsContact O-N 3.12Å; K276-E278 PolarHBondContact O-N 3.28Å; E278-K281 PolarHBondContact O-N 3.1Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 3.09Å; E278-K281 IonicContact OE2-NZ 3.47Å; E278-K281 PolarHBondContact OE2-NZ 3.14Å; E278-L282 HydrophobicContact CG-CD1 4.09Å; E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CG 3.38Å; E278-L282 PolarHBondContact O-N 3.39Å
279	F	98.7	Very high	98.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-46.6	173.1	-89.5	-117.5	0	0	0	111.7	F237 A240 I241 L247 F271 Y275 K276 K281 L282 K283 I284	F237-F279 HydrophobicContact CB-CE2 4.28Å; F237-F279 HydrophobicContact CB-CZ 4.48Å; F237-F279 HydrophobicContact CD1-CE1 4.42Å; F237-F279 AromaticContact CD1-CE2 3.91Å; F237-F279 HydrophobicContact CD1-CE2 3.91Å; F237-F279 AromaticContact CD1-CZ 3.65Å; F237-F279 HydrophobicContact CD1-CZ 3.65Å; F237-F279 HydrophobicContact CE1-CZ 4.47Å; A240-F279 HydrophobicContact CB-CE1 4.48Å; A240-F279 HydrophobicContact CB-CZ 3.91Å; I241-F279 HydrophobicContact CD1-CD2 3.94Å; I241-F279 HydrophobicContact CD1-CE2 3.67Å; I241-F279 HydrophobicContact CG1-CD2 3.83Å; I241-F279 HydrophobicContact CG1-CE2 3.48Å; I241-F279 VanDerWaalsContact CG1-CE2 3.48Å; I241-F279 HydrophobicContact CG1-CZ 4.34Å; L247-F279 HydrophobicContact CB-CE1 4.23Å; L247-F279 HydrophobicContact CB-CZ 4.46Å; F271-F279 HydrophobicContact CE2-CB 3.93Å; F271-F279 AromaticContact CE2-CD1 3.84Å; F271-F279 HydrophobicContact CE2-CD1 3.84Å; F271-F279 HydrophobicContact CE2-CD2 4.21Å; F271-F279 HydrophobicContact CE2-CE1 4.42Å; F271-F279 AromaticContact CE2-CG 3.73Å; F271-F279 HydrophobicContact CE2-CG 3.73Å; F271-F279 HydrophobicContact CZ-CB 4.37Å; Y275-F279 WeakPolarHBondContact O-CD2 3.2Å; Y275-F279 PolarHBondContact O-N 3.01Å; K276-F279 PolarHBondContact O-N 3.08Å; F279-K281 VanDerWaalsContact C-N 3.34Å; F279-K281 PolarHBondContact O-N 3.35Å; F279-L282 CarbonylContact O-C 3.55Å; F279-L282 PolarHBondContact O-N 2.87Å; F279-K283 PolarHBondContact O-N 3.14Å; F279-I284 CarbonylContact C-O 3.5Å; F279-I284 HydrophobicContact CB-CG1 4.08Å; F279-I284 HydrophobicContact CD1-CB 4.36Å; F279-I284 HydrophobicContact CD1-CD1 3.77Å; F279-I284 HydrophobicContact CD1-CG1 3.6Å; F279-I284 HydrophobicContact CD2-CD1 4.28Å; F279-I284 HydrophobicContact CE1-CD1 3.85Å; F279-I284 HydrophobicContact CE1-CG1 4.15Å; F279-I284 HydrophobicContact CE2-CD1 4.37Å; F279-I284 HydrophobicContact CG-CD1 3.97Å; F279-I284 HydrophobicContact CG-CG1 3.84Å; F279-I284 HydrophobicContact CZ-CD1 4.14Å; F279-I284 PolarHBondContact O-N 2.87Å
280	D	98.6	Very high	98.5	Very high	88 Å²	88	68.5 Å²	68.5	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.7	-69.5	-16.6	0	0	0	110.8	K276 L282 K283	K276-D280 VanDerWaalsContact NZ-CG 3.26Å; K276-D280 IonicContact NZ-OD1 3.77Å; K276-D280 PolarHBondContact NZ-OD1 3.09Å; K276-D280 IonicContact NZ-OD2 3.19Å; K276-D280 PolarHBondContact NZ-OD2 2.95Å; K276-D280 WeakPolarHBondContact O-CB 3.37Å; K276-D280 VanDerWaalsContact O-CG 3.23Å; K276-D280 PolarHBondContact O-N 2.93Å; D280-L282 PolarHBondContact O-N 3.18Å; D280-K283 PolarHBondContact O-N 3.49Å; D280-K283 VanDerWaalsContact O-N 3.17Å
281	K	98.6	Very high	98.5	Very high	142 Å²	142	69.1 Å²	69.1	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-39.6	177.2	175.1	-176.6	160.1	-143.6	0	112.9	P277 E278 F279 K283	P277-K281 WeakPolarHBondContact O-CB 3.32Å; P277-K281 PolarHBondContact O-N 3.37Å; P277-K281 VanDerWaalsContact O-N 3.12Å; E278-K281 PolarHBondContact O-N 3.1Å; E278-K281 IonicContact OE1-NZ 2.73Å; E278-K281 PolarHBondContact OE1-NZ 3.09Å; E278-K281 IonicContact OE2-NZ 3.47Å; E278-K281 PolarHBondContact OE2-NZ 3.14Å; F279-K281 VanDerWaalsContact C-N 3.34Å; F279-K281 PolarHBondContact O-N 3.35Å; K281-K283 VanDerWaalsContact C-N 3.29Å
282	L	98.4	Very high	98.4	Very high	45 Å²	45	72.4 Å²	72.4	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-82.2	-5.5	178	-69.1	175.1	0	0	0	113.4	I241 K244 E278 F279 D280 I284	I241-L282 HydrophobicContact CB-CD1 4.35Å; I241-L282 HydrophobicContact CG1-CD1 4.29Å; I241-L282 HydrophobicContact CG2-CD1 3.91Å; K244-L282 HydrophobicContact CD-CD2 4.34Å; K244-L282 HydrophobicContact CG-CD2 4.25Å; E278-L282 HydrophobicContact CG-CD1 4.09Å; E278-L282 WeakPolarHBondContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CG 3.38Å; E278-L282 PolarHBondContact O-N 3.39Å; F279-L282 CarbonylContact O-C 3.55Å; F279-L282 PolarHBondContact O-N 2.87Å; D280-L282 PolarHBondContact O-N 3.18Å; L282-I284 VanDerWaalsContact C-N 3.3Å; L282-I284 HydrophobicContact CB-CD1 4.22Å; L282-I284 HydrophobicContact CB-CG1 3.93Å; L282-I284 HydrophobicContact CD1-CD1 4.26Å; L282-I284 PolarHBondContact O-N 2.77Å
283	K	98.5	Very high	98.4	Very high	184 Å²	184	71.2 Å²	71.2	80%	0.8	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	39.5	-176.9	-53.4	179.5	179	-179.9	0	112.9	F279 D280 K281	F279-K283 PolarHBondContact O-N 3.14Å; D280-K283 PolarHBondContact O-N 3.49Å; D280-K283 VanDerWaalsContact O-N 3.17Å; K281-K283 VanDerWaalsContact C-N 3.29Å
284	I	98.7	Very high	98.4	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.072	30%	0.301	C	S	.	.			trans	-117.5	164.3	172.9	56.8	171.1	0	0	0	109.4	K244 W245 F279 L282	K244-I284 WeakPolarHBondContact O-CG2 3.41Å; W245-I284 WeakPolarHBondContact O-CD1 3.34Å; F279-I284 CarbonylContact C-O 3.5Å; F279-I284 HydrophobicContact CB-CG1 4.08Å; F279-I284 HydrophobicContact CD1-CB 4.36Å; F279-I284 HydrophobicContact CD1-CD1 3.77Å; F279-I284 HydrophobicContact CD1-CG1 3.6Å; F279-I284 HydrophobicContact CD2-CD1 4.28Å; F279-I284 HydrophobicContact CE1-CD1 3.85Å; F279-I284 HydrophobicContact CE1-CG1 4.15Å; F279-I284 HydrophobicContact CE2-CD1 4.37Å; F279-I284 HydrophobicContact CG-CD1 3.97Å; F279-I284 HydrophobicContact CG-CG1 3.84Å; F279-I284 HydrophobicContact CZ-CD1 4.14Å; F279-I284 PolarHBondContact O-N 2.87Å; L282-I284 VanDerWaalsContact C-N 3.3Å; L282-I284 HydrophobicContact CB-CD1 4.22Å; L282-I284 HydrophobicContact CB-CG1 3.93Å; L282-I284 HydrophobicContact CD1-CD1 4.26Å; L282-I284 PolarHBondContact O-N 2.77Å
285	W	98.8	Very high	98.5	Very high	126 Å²	126	61 Å²	61	48%	0.477	29%	0.292	S	S	.	.			trans	-132.4	162.1	-177.3	60.1	93.8	0	0	0	112.1	P246 L247 Y248	P246-W285 CarbonylContact C-O 3.5Å; P246-W285 WeakPolarHBondContact CA-O 3.18Å; P246-W285 HydrophobicContact CB-CD2 3.72Å; P246-W285 HydrophobicContact CB-CE3 4.16Å; P246-W285 HydrophobicContact CB-CG 4.13Å; P246-W285 HydrophobicContact CB-CH2 4.29Å; P246-W285 HydrophobicContact CB-CZ2 3.87Å; P246-W285 HydrophobicContact CB-CZ3 4.41Å; P246-W285 HydrophobicContact CG-CH2 4.13Å; P246-W285 HydrophobicContact CG-CZ2 3.92Å; L247-W285 PolarHBondContact N-O 3.36Å; Y248-W285 AromaticContact CE1-NE1 3.82Å; Y248-W285 AromaticContact CZ-NE1 3.48Å; Y248-W285 WeakPolarHBondContact OH-CZ2 3.5Å; Y248-W285 PolarHBondContact OH-NE1 3.49Å
286	Y	98.8	Very high	98.5	Very high	20 Å²	20	61.8 Å²	61.8	8%	0.078	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	167.2	165.1	-114.8	0	0	0	109.3	F237 L247 M249 F267 F271	F237-Y286 HydrophobicContact CE1-CD1 4.16Å; F237-Y286 AromaticContact CE1-CD2 3.76Å; F237-Y286 HydrophobicContact CE1-CD2 3.76Å; F237-Y286 HydrophobicContact CE1-CE2 4.41Å; F237-Y286 AromaticContact CE1-CG 3.63Å; F237-Y286 HydrophobicContact CE1-CG 3.63Å; F237-Y286 HydrophobicContact CZ-CD1 4.19Å; F237-Y286 HydrophobicContact CZ-CD2 4.09Å; F237-Y286 HydrophobicContact CZ-CE1 4.39Å; F237-Y286 HydrophobicContact CZ-CE2 4.31Å; F237-Y286 HydrophobicContact CZ-CG 4.05Å; L247-Y286 HydrophobicContact CB-CD2 4.33Å; L247-Y286 HydrophobicContact CD2-CD2 3.98Å; L247-Y286 HydrophobicContact CG-CD2 4.03Å; L247-Y286 CarbonylContact O-C 3.59Å; L247-Y286 VanDerWaalsContact O-CA 3.29Å; L247-Y286 WeakPolarHBondContact O-CA 3.45Å; M249-Y286 HydrophobicContact CB-CE2 3.87Å; F267-Y286 HydrophobicContact CB-CE1 4.36Å; F267-Y286 HydrophobicContact CB-CE2 4.49Å; F267-Y286 WeakPolarHBondContact CB-OH 3.38Å; F267-Y286 AromaticContact CD1-CE2 3.97Å; F267-Y286 HydrophobicContact CD1-CE2 3.97Å; F271-Y286 HydrophobicContact CB-CD1 3.84Å; F271-Y286 HydrophobicContact CB-CE1 4.35Å; F271-Y286 AromaticContact CD1-CD1 3.88Å; F271-Y286 HydrophobicContact CD1-CD1 3.88Å; F271-Y286 HydrophobicContact CD2-CD1 4.14Å; F271-Y286 HydrophobicContact CD2-CG 4.17Å; F271-Y286 HydrophobicContact CE1-CD1 4.49Å; F271-Y286 AromaticContact CG-CD1 3.67Å; F271-Y286 HydrophobicContact CG-CD1 3.67Å; F271-Y286 HydrophobicContact CG-CG 4.18Å
287	E	98.8	Very high	98.4	Very high	65 Å²	65	60.6 Å²	60.6	30%	0.304	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.8	174	-167.1	-175.2	162.5	0	0	111.9	L247 Y248 M249 R289	L247-E287 PolarHBondContact O-N 3.09Å; Y248-E287 VanDerWaalsContact CA-O 3.3Å; Y248-E287 WeakPolarHBondContact CA-O 3.31Å; Y248-E287 HydrophobicContact CD1-CB 3.87Å; Y248-E287 HydrophobicContact CE1-CB 3.96Å; Y248-E287 WeakPolarHBondContact CE1-OE2 3.4Å; M249-E287 PolarHBondContact N-O 2.94Å; E287-R289 VanDerWaalsContact CD-NE 3.31Å; E287-R289 HydrophobicContact CG-CG 4.26Å; E287-R289 IonicContact OE1-CZ 3.56Å; E287-R289 IonicContact OE1-NE 3.23Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 VanDerWaalsContact OE1-NE 3.09Å; E287-R289 IonicContact OE1-NH1 2.94Å; E287-R289 IonicContact OE1-NH2 2.67Å; E287-R289 PolarHBondContact OE1-NH2 3.24Å; E287-R289 IonicContact OE2-CZ 3.63Å; E287-R289 IonicContact OE2-NE 2.67Å; E287-R289 PolarHBondContact OE2-NE 3.41Å; E287-R289 IonicContact OE2-NH2 2.69Å; E287-R289 PolarHBondContact OE2-NH2 3.24Å
288	H	98.8	Very high	98.4	Very high	31 Å²	31	56.6 Å²	56.6	14%	0.144	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.1	164.3	169.1	-101.1	0	0	0	110.1	M249 T251 N253 K264	M249-H288 CarbonylContact O-C 3.59Å; M249-H288 WeakPolarHBondContact O-CA 3.17Å; M249-H288 PolarHBondContact O-CD2 3.43Å; T251-H288 PolarHBondContact OG1-NE2 3.04Å; N253-H288 PolarHBondContact OD1-CE1 2.93Å; N253-H288 VanDerWaalsContact OD1-CE1 3.29Å; K264-H288 HydrophobicContact CG-CB 4.2Å
289	R	98.7	Very high	98.4	Very high	48 Å²	48	58.6 Å²	58.6	18%	0.181	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.6	174.7	-70.5	-169.9	173.2	-104.1	-2.9	111.8	Y248 M249 S250 T251 E287 D293 M294	Y248-R289 HydrophobicContact CD1-CG 4.45Å; M249-R289 PolarHBondContact O-N 2.81Å; S250-R289 VanDerWaalsContact CA-O 3.28Å; S250-R289 WeakPolarHBondContact CA-O 3.41Å; T251-R289 PolarHBondContact N-O 3.35Å; T251-R289 VanDerWaalsContact N-O 3.16Å; E287-R289 VanDerWaalsContact CD-NE 3.31Å; E287-R289 HydrophobicContact CG-CG 4.26Å; E287-R289 IonicContact OE1-CZ 3.56Å; E287-R289 IonicContact OE1-NE 3.23Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 VanDerWaalsContact OE1-NE 3.09Å; E287-R289 IonicContact OE1-NH1 2.94Å; E287-R289 IonicContact OE1-NH2 2.67Å; E287-R289 PolarHBondContact OE1-NH2 3.24Å; E287-R289 IonicContact OE2-CZ 3.63Å; E287-R289 IonicContact OE2-NE 2.67Å; E287-R289 PolarHBondContact OE2-NE 3.41Å; E287-R289 IonicContact OE2-NH2 2.69Å; E287-R289 PolarHBondContact OE2-NH2 3.24Å; R289-D293 IonicContact CZ-OD2 3.37Å; R289-D293 IonicContact NH1-OD2 2.97Å; R289-D293 PolarHBondContact NH1-OD2 3.17Å; R289-M294 HydrophobicContact CB-CB 4.15Å
290	L	98.7	Very high	98.3	Very high	50 Å²	50	67.2 Å²	67.2	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140	165.5	-66	175.9	0	0	0	109.4	T251 N253 T254 D292 D293 M294	T251-L290 CarbonylContact O-C 3.58Å; T251-L290 WeakPolarHBondContact O-CA 3.48Å; N253-L290 WeakPolarHBondContact OD1-CD2 3.25Å; T254-L290 HydrophobicContact CG2-CD1 3.82Å; T254-L290 HydrophobicContact CG2-CD2 3.91Å; L290-D292 VanDerWaalsContact C-N 3.25Å; L290-D292 VanDerWaalsContact CB-OD1 3.29Å; L290-D292 WeakPolarHBondContact CB-OD1 3.4Å; L290-D292 PolarHBondContact O-N 3.09Å; L290-D293 PolarHBondContact O-N 3.09Å; L290-D293 VanDerWaalsContact O-N 3.08Å; L290-M294 PolarHBondContact O-N 2.87Å
291	I	98.5	Very high	98.3	Very high	26 Å²	26	64.2 Å²	64.2	13%	0.133	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-36.8	-173.4	-177.4	62.2	0	0	0	113.2	S250 T251 K252 M294 V295 W307 D313	S250-I291 WeakPolarHBondContact OG-CD1 3.38Å; T251-I291 PolarHBondContact O-N 2.98Å; K252-I291 HydrophobicContact CB-CG2 4.24Å; K252-I291 HydrophobicContact CD-CG2 3.71Å; I291-M294 PolarHBondContact O-N 3.4Å; I291-V295 HydrophobicContact CD1-CG1 4.2Å; I291-V295 WeakPolarHBondContact O-CG1 3.45Å; I291-V295 WeakPolarHBondContact O-CG2 3.46Å; I291-V295 PolarHBondContact O-N 3.35Å; I291-W307 HydrophobicContact CD1-CZ2 3.78Å; I291-D313 HydrophobicContact CD1-CB 4.33Å
292	D	97.9	Very high	98.2	Very high	84 Å²	84	60.7 Å²	60.7	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-39.5	176.5	47.2	-36.7	0	0	0	113.2	K252 L290 V295	K252-D292 IonicContact NZ-OD1 3.99Å; K252-D292 PolarHBondContact NZ-OD1 3.49Å; K252-D292 IonicContact NZ-OD2 2.74Å; K252-D292 PolarHBondContact NZ-OD2 3.4Å; L290-D292 VanDerWaalsContact C-N 3.25Å; L290-D292 VanDerWaalsContact CB-OD1 3.29Å; L290-D292 WeakPolarHBondContact CB-OD1 3.4Å; L290-D292 PolarHBondContact O-N 3.09Å; D292-V295 VanDerWaalsContact O-CG2 3.28Å; D292-V295 WeakPolarHBondContact O-CG2 3.36Å
293	D	98	Very high	98.1	Very high	74 Å²	74	59 Å²	59	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-70.2	-41.7	172.2	178.4	53	0	0	0	111.1	R289 L290 V295 A296 Q297	R289-D293 IonicContact CZ-OD2 3.37Å; R289-D293 IonicContact NH1-OD2 2.97Å; R289-D293 PolarHBondContact NH1-OD2 3.17Å; L290-D293 PolarHBondContact O-N 3.09Å; L290-D293 VanDerWaalsContact O-N 3.08Å; D293-V295 PolarHBondContact O-N 3.5Å; D293-A296 PolarHBondContact O-N 3.03Å; D293-Q297 PolarHBondContact O-N 3.43Å
294	M	98.6	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-47	-178.9	-174.1	58.1	-171.5	0	0	112.1	Y248 R289 L290 I291 A296 Q297 V298 F305 W307	Y248-M294 HydrophobicContact CD1-SD 4.41Å; Y248-M294 HydrophobicContact CD2-CE 4.06Å; Y248-M294 HydrophobicContact CG-CE 3.86Å; Y248-M294 HydrophobicContact CG-SD 4.1Å; R289-M294 HydrophobicContact CB-CB 4.15Å; L290-M294 PolarHBondContact O-N 2.87Å; I291-M294 PolarHBondContact O-N 3.4Å; M294-A296 VanDerWaalsContact C-N 3.27Å; M294-A296 PolarHBondContact O-N 3.04Å; M294-Q297 PolarHBondContact O-N 3.45Å; M294-V298 HydrophobicContact CE-CG2 3.65Å; M294-V298 HydrophobicContact CG-CG2 4.35Å; M294-V298 WeakPolarHBondContact O-CB 3.24Å; M294-V298 WeakPolarHBondContact O-CG2 3.39Å; M294-V298 PolarHBondContact O-N 3.44Å; M294-V298 HydrophobicContact SD-CG2 4.33Å; M294-F305 HydrophobicContact CE-CD2 4.11Å; M294-F305 HydrophobicContact CE-CE2 3.59Å; M294-F305 HydrophobicContact CE-CZ 4.37Å; M294-W307 HydrophobicContact CE-CB 4.09Å; M294-W307 HydrophobicContact CE-CD2 3.81Å; M294-W307 HydrophobicContact CE-CE3 4.48Å; M294-W307 HydrophobicContact CE-CG 3.59Å; M294-W307 HydrophobicContact CG-CD2 4.27Å; M294-W307 HydrophobicContact CG-CZ2 3.8Å
295	V	98.3	Very high	98	Very high	42 Å²	42	51.1 Å²	51.1	26%	0.255	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-35.9	178.1	-64	0	0	0	0	112	I291 D292 D293 L299 W307	I291-V295 HydrophobicContact CD1-CG1 4.2Å; I291-V295 WeakPolarHBondContact O-CG1 3.45Å; I291-V295 WeakPolarHBondContact O-CG2 3.46Å; I291-V295 PolarHBondContact O-N 3.35Å; D292-V295 VanDerWaalsContact O-CG2 3.28Å; D292-V295 WeakPolarHBondContact O-CG2 3.36Å; D293-V295 PolarHBondContact O-N 3.5Å; V295-L299 PolarHBondContact O-N 2.92Å; V295-W307 HydrophobicContact CG1-CH2 3.92Å; V295-W307 HydrophobicContact CG1-CZ2 4.24Å
296	A	97.9	Very high	98	Very high	38 Å²	38	45.1 Å²	45.1	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-69.9	-39.5	176.4	0	0	0	0	0	111.9	D293 M294 K300	D293-A296 PolarHBondContact O-N 3.03Å; M294-A296 VanDerWaalsContact C-N 3.27Å; M294-A296 PolarHBondContact O-N 3.04Å; A296-K300 WeakPolarHBondContact O-CG 3.08Å; A296-K300 PolarHBondContact O-N 2.81Å
297	Q	97.6	Very high	98	Very high	42 Å²	42	44.2 Å²	44.2	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-44.3	173.7	175.9	169	-60.4	0	0	111.5	D293 M294 L299 K300 S301	D293-Q297 PolarHBondContact O-N 3.43Å; M294-Q297 PolarHBondContact O-N 3.45Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.32Å; Q297-K300 CarbonylContact O-C 3.58Å; Q297-K300 PolarHBondContact O-N 2.94Å; Q297-K300 VanDerWaalsContact O-N 3.09Å; Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.38Å
298	V	98.2	Very high	98	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-48.7	178.5	167.8	0	0	0	0	110.6	W165 I169 M294 K300 S301 F305 W307 L321	W165-V298 HydrophobicContact CZ2-CG1 3.92Å; W165-V298 PolarHBondContact NE1-O 3.43Å; I169-V298 HydrophobicContact CD1-CG1 3.99Å; M294-V298 HydrophobicContact CE-CG2 3.65Å; M294-V298 HydrophobicContact CG-CG2 4.35Å; M294-V298 WeakPolarHBondContact O-CB 3.24Å; M294-V298 WeakPolarHBondContact O-CG2 3.39Å; M294-V298 PolarHBondContact O-N 3.44Å; M294-V298 HydrophobicContact SD-CG2 4.33Å; V298-K300 VanDerWaalsContact C-N 3.26Å; V298-K300 PolarHBondContact O-N 3.09Å; V298-S301 PolarHBondContact O-N 3.48Å; V298-S301 PolarHBondContact O-OG 3.49Å; V298-F305 HydrophobicContact CB-CZ 4.48Å; V298-F305 HydrophobicContact CG2-CE2 4.05Å; V298-F305 HydrophobicContact CG2-CZ 3.84Å; V298-W307 HydrophobicContact CG1-CZ3 4.34Å; V298-W307 HydrophobicContact CG2-CD2 4.36Å; V298-W307 HydrophobicContact CG2-CE3 3.84Å; V298-W307 HydrophobicContact CG2-CH2 4.25Å; V298-W307 HydrophobicContact CG2-CZ3 3.79Å; V298-L321 HydrophobicContact CG1-CD2 4.43Å
299	L	97.4	Very high	98	Very high	104 Å²	104	39.6 Å²	39.6	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-31.6	178.6	-74.2	170.7	0	0	0	113.8	V162 W165 V295 Q297	V162-L299 HydrophobicContact CG2-CD2 3.98Å; W165-L299 HydrophobicContact CZ2-CD2 4.13Å; V295-L299 PolarHBondContact O-N 2.92Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 3.32Å
300	K	96.9	Very high	98	Very high	181 Å²	181	38.1 Å²	38.1	79%	0.787	21%	0.211	S	C	*	.	H	α-helix	trans	-90.5	-12.5	-180	-65.2	173.1	-174.9	174.5	0	113.5	A296 Q297 V298	A296-K300 WeakPolarHBondContact O-CG 3.08Å; A296-K300 PolarHBondContact O-N 2.81Å; Q297-K300 CarbonylContact O-C 3.58Å; Q297-K300 PolarHBondContact O-N 2.94Å; Q297-K300 VanDerWaalsContact O-N 3.09Å; V298-K300 VanDerWaalsContact C-N 3.26Å; V298-K300 PolarHBondContact O-N 3.09Å
301	S	97.6	Very high	97.7	Very high	25 Å²	25	35.9 Å²	35.9	18%	0.175	20%	0.2	C	C	.	.	S	Bend	trans	-77	171	-174.7	77	0	0	0	0	112.8	Q297 V298 G303 F305	Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.38Å; V298-S301 PolarHBondContact O-N 3.48Å; V298-S301 PolarHBondContact O-OG 3.49Å; S301-G303 PolarHBondContact OG-N 3.41Å; S301-F305 WeakPolarHBondContact OG-CE1 3.42Å
302	S	96.8	Very high	97.5	Very high	68 Å²	68	40.2 Å²	40.2	48%	0.476	22%	0.215	S	C	.	.			trans	-99.3	6.2	169.8	59	0	0	0	0	114.3	G164 T166 Q167	G164-S302 WeakPolarHBondContact O-CA 3.4Å; T166-S302 PolarHBondContact N-O 3.44Å; T166-S302 PolarHBondContact OG1-O 3.3Å; Q167-S302 WeakPolarHBondContact CB-O 3.18Å; Q167-S302 PolarHBondContact N-O 3.48Å
303	G	96.6	Very high	97.5	Very high	9 Å²	9	37.7 Å²	37.7	9%	0.093	20%	0.202	C	C	.	.			trans	82.9	-154.4	-171	0	0	0	0	0	114.4	S301 F305	S301-G303 PolarHBondContact OG-N 3.41Å; G303-F305 WeakPolarHBondContact O-CD1 3.45Å
304	A	97.1	Very high	97.3	Very high	26 Å²	26	34.1 Å²	34.1	22%	0.215	18%	0.183	C	C	.	.			trans	63.8	48.6	-178.1	0	0	0	0	0	115.1	Q167 P168 W245 P246	Q167-A304 HydrophobicContact CB-CB 3.68Å; Q167-A304 HydrophobicContact CG-CB 3.97Å; P168-A304 WeakPolarHBondContact O-CA 3.35Å; P168-A304 PolarHBondContact O-N 3.26Å; W245-A304 HydrophobicContact CD2-CB 4.39Å; W245-A304 HydrophobicContact CZ2-CB 4.38Å; P246-A304 WeakPolarHBondContact CD-O 3.22Å
305	F	98.5	Very high	96.7	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.8	172.3	57.1	-91.1	0	0	0	111.4	I169 T170 P246 Y248 M294 V298 S301 G303 W307	I169-F305 HydrophobicContact CB-CZ 4.4Å; I169-F305 HydrophobicContact CD1-CE1 4.22Å; I169-F305 HydrophobicContact CD1-CZ 3.88Å; I169-F305 HydrophobicContact CG1-CE1 3.89Å; I169-F305 HydrophobicContact CG1-CE2 4.36Å; I169-F305 HydrophobicContact CG1-CZ 3.74Å; I169-F305 HydrophobicContact CG2-CD2 4.19Å; I169-F305 HydrophobicContact CG2-CE2 3.55Å; I169-F305 HydrophobicContact CG2-CZ 3.77Å; T170-F305 PolarHBondContact N-O 3.32Å; T170-F305 VanDerWaalsContact N-O 3.14Å; P246-F305 HydrophobicContact CG-CB 3.97Å; P246-F305 WeakPolarHBondContact O-CA 3.33Å; Y248-F305 HydrophobicContact CD2-CB 3.89Å; Y248-F305 AromaticContact CD2-CD2 3.77Å; Y248-F305 HydrophobicContact CD2-CD2 3.77Å; Y248-F305 AromaticContact CD2-CG 3.92Å; Y248-F305 HydrophobicContact CD2-CG 3.92Å; Y248-F305 HydrophobicContact CE2-CB 3.79Å; Y248-F305 HydrophobicContact CE2-CD1 4.5Å; Y248-F305 HydrophobicContact CE2-CD2 4.25Å; Y248-F305 AromaticContact CE2-CG 3.94Å; Y248-F305 HydrophobicContact CE2-CG 3.94Å; M294-F305 HydrophobicContact CE-CD2 4.11Å; M294-F305 HydrophobicContact CE-CE2 3.59Å; M294-F305 HydrophobicContact CE-CZ 4.37Å; V298-F305 HydrophobicContact CB-CZ 4.48Å; V298-F305 HydrophobicContact CG2-CE2 4.05Å; V298-F305 HydrophobicContact CG2-CZ 3.84Å; S301-F305 WeakPolarHBondContact OG-CE1 3.42Å; G303-F305 WeakPolarHBondContact O-CD1 3.45Å; F305-W307 HydrophobicContact CD2-CB 4.2Å; F305-W307 HydrophobicContact CE2-CB 4.1Å
306	V	98.6	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.6	167.6	-175.3	0	0	0	0	108.1	F149 T170 Y239 A240 P246 L247 Y248	F149-V306 HydrophobicContact CD1-CG1 4.49Å; F149-V306 HydrophobicContact CE1-CG1 4.09Å; T170-V306 CarbonylContact O-C 3.6Å; T170-V306 WeakPolarHBondContact O-CA 3.23Å; Y239-V306 HydrophobicContact CD1-CG1 4.44Å; Y239-V306 HydrophobicContact CD1-CG2 3.89Å; Y239-V306 HydrophobicContact CE1-CG2 4.4Å; A240-V306 HydrophobicContact CB-CB 4.36Å; A240-V306 HydrophobicContact CB-CG2 4Å; P246-V306 PolarHBondContact O-N 3.02Å; L247-V306 WeakPolarHBondContact CA-O 3.45Å; L247-V306 HydrophobicContact CD1-CB 3.69Å; L247-V306 HydrophobicContact CD1-CG1 3.57Å; Y248-V306 PolarHBondContact N-O 2.87Å
307	W	98.8	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	102.3	177.4	-178.1	10.8	0	0	0	109.6	T170 I171 G172 Y248 S250 I291 M294 V295 V298 F305 C309 Q317	T170-W307 PolarHBondContact O-N 2.92Å; I171-W307 CarbonylContact C-O 3.52Å; I171-W307 VanDerWaalsContact CA-O 3.31Å; I171-W307 WeakPolarHBondContact CA-O 3.37Å; I171-W307 HydrophobicContact CD1-CE3 3.85Å; I171-W307 HydrophobicContact CD1-CZ3 4.05Å; I171-W307 HydrophobicContact CG1-CB 4.26Å; I171-W307 HydrophobicContact CG1-CD2 4.28Å; I171-W307 HydrophobicContact CG1-CE3 3.82Å; G172-W307 PolarHBondContact N-O 3.42Å; Y248-W307 CarbonylContact O-C 3.52Å; Y248-W307 WeakPolarHBondContact O-CA 3.43Å; S250-W307 PolarHBondContact OG-NE1 3.43Å; I291-W307 HydrophobicContact CD1-CZ2 3.78Å; M294-W307 HydrophobicContact CE-CB 4.09Å; M294-W307 HydrophobicContact CE-CD2 3.81Å; M294-W307 HydrophobicContact CE-CE3 4.48Å; M294-W307 HydrophobicContact CE-CG 3.59Å; M294-W307 HydrophobicContact CG-CD2 4.27Å; M294-W307 HydrophobicContact CG-CZ2 3.8Å; V295-W307 HydrophobicContact CG1-CH2 3.92Å; V295-W307 HydrophobicContact CG1-CZ2 4.24Å; V298-W307 HydrophobicContact CG1-CZ3 4.34Å; V298-W307 HydrophobicContact CG2-CD2 4.36Å; V298-W307 HydrophobicContact CG2-CE3 3.84Å; V298-W307 HydrophobicContact CG2-CH2 4.25Å; V298-W307 HydrophobicContact CG2-CZ3 3.79Å; F305-W307 HydrophobicContact CD2-CB 4.2Å; F305-W307 HydrophobicContact CE2-CB 4.1Å; W307-C309 VanDerWaalsContact CD1-SG 3.59Å; W307-C309 VanDerWaalsContact CD2-SG 3.59Å; W307-C309 PolarHBondContact NE1-SG 3.18Å; W307-C309 PolarHBondContact O-N 3.22Å; W307-Q317 HydrophobicContact CH2-CB 3.73Å; W307-Q317 HydrophobicContact CH2-CG 3.54Å; W307-Q317 HydrophobicContact CZ2-CG 4.15Å; W307-Q317 HydrophobicContact CZ3-CB 3.85Å; W307-Q317 HydrophobicContact CZ3-CG 4.19Å
308	A	98.6	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112.7	172	0	0	0	0	0	109.9	G172 F232 C236 L247 Y248 M249 S250 F267	G172-A308 WeakPolarHBondContact O-CA 3.42Å; F232-A308 HydrophobicContact CE1-CB 4.28Å; F232-A308 HydrophobicContact CE2-CB 4.4Å; F232-A308 HydrophobicContact CZ-CB 3.68Å; C236-A308 HydrophobicContact CB-CB 4.28Å; L247-A308 HydrophobicContact CD1-CB 4.12Å; Y248-A308 PolarHBondContact O-N 3.47Å; M249-A308 WeakPolarHBondContact CA-O 3.46Å; M249-A308 HydrophobicContact CB-CB 3.95Å; M249-A308 HydrophobicContact CG-CB 3.86Å; S250-A308 PolarHBondContact N-O 2.8Å; F267-A308 HydrophobicContact CE1-CB 4.01Å; F267-A308 HydrophobicContact CZ-CB 4.21Å
309	C	98.7	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.4	178.2	-63.7	0	0	0	0	110.7	I171 G172 H174 F232 W307 D313 G314	I171-C309 HydrophobicContact CG2-CB 4.26Å; G172-C309 PolarHBondContact O-N 2.74Å; H174-C309 PolarHBondContact N-O 3.02Å; F232-C309 VanDerWaalsContact CZ-O 3.31Å; F232-C309 WeakPolarHBondContact CZ-O 3.34Å; W307-C309 VanDerWaalsContact CD1-SG 3.59Å; W307-C309 VanDerWaalsContact CD2-SG 3.59Å; W307-C309 PolarHBondContact NE1-SG 3.18Å; W307-C309 PolarHBondContact O-N 3.22Å; C309-D313 HydrophobicContact CB-CB 4.03Å; C309-G314 VanDerWaalsContact CB-N 3.29Å
310	K	98.2	Very high	94.8	Very high	16 Å²	16	37.6 Å²	37.6	7%	0.07	20%	0.196	C	C	.	.			trans	-57.4	167.7	162.6	-71	179.9	64.8	-162.5	0	110.8	D178 T251 D260 F263 Y312 D313 G314	D178-K310 WeakPolarHBondContact OD2-CE 3.46Å; T251-K310 HydrophobicContact CG2-CD 4.37Å; D260-K310 WeakPolarHBondContact OD1-CE 3.24Å; D260-K310 IonicContact OD1-NZ 2.87Å; D260-K310 PolarHBondContact OD1-NZ 2.93Å; D260-K310 IonicContact OD2-NZ 2.82Å; F263-K310 HydrophobicContact CD1-CG 4.23Å; F263-K310 HydrophobicContact CE1-CG 4.05Å; F263-K310 HydrophobicContact CZ-CG 4.33Å; K310-Y312 PolarHBondContact O-N 2.76Å; K310-D313 PolarHBondContact O-N 2.64Å; K310-G314 PolarHBondContact O-N 2.69Å
311	N	93.7	Very high	94.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-55	-52.3	-168.6	-158.5	-13.1	0	0	0	112.9	R173 H174 F176 G177 D178 Y180 D315	R173-N311 PolarHBondContact NE-O 2.87Å; R173-N311 PolarHBondContact NE-OD1 2.99Å; R173-N311 PolarHBondContact NH2-OD1 3.32Å; H174-N311 WeakPolarHBondContact O-CA 3.42Å; H174-N311 WeakPolarHBondContact O-CB 3.5Å; H174-N311 PolarHBondContact O-OD1 3.39Å; F176-N311 PolarHBondContact N-ND2 2.66Å; F176-N311 PolarHBondContact O-ND2 3.19Å; G177-N311 PolarHBondContact O-ND2 3.32Å; D178-N311 HydrophobicContact CB-CB 4.23Å; Y180-N311 HydrophobicContact CD2-CB 3.83Å; Y180-N311 WeakPolarHBondContact CD2-ND2 3.3Å; Y180-N311 WeakPolarHBondContact CD2-OD1 3.18Å; Y180-N311 HydrophobicContact CE2-CB 3.95Å; Y180-N311 WeakPolarHBondContact CE2-OD1 3.33Å; N311-D315 PolarHBondContact O-N 2.8Å
312	Y	93.8	Very high	94.1	Very high	118 Å²	118	28 Å²	28	46%	0.463	15%	0.151	S	C	.	.	H	α-helix	trans	-67.7	-46.5	-179.5	-178.8	-101.4	0	0	0	112.9	K310 G314 D315 V316	K310-Y312 PolarHBondContact O-N 2.76Å; Y312-G314 VanDerWaalsContact C-N 3.29Å; Y312-G314 PolarHBondContact O-N 2.96Å; Y312-D315 WeakPolarHBondContact O-CB 3.31Å; Y312-D315 PolarHBondContact O-N 2.8Å; Y312-V316 HydrophobicContact CD1-CG2 4.48Å; Y312-V316 HydrophobicContact CE1-CG2 4.04Å; Y312-V316 HydrophobicContact CE2-CG2 4.1Å; Y312-V316 PolarHBondContact O-N 2.78Å; Y312-V316 VanDerWaalsContact O-N 3.11Å
313	D	97.1	Very high	93.5	Very high	30 Å²	30	29.5 Å²	29.5	16%	0.16	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-42.1	179	-61.3	-42.4	0	0	0	110.9	I291 C309 K310 D315 V316 Q317	I291-D313 HydrophobicContact CD1-CB 4.33Å; C309-D313 HydrophobicContact CB-CB 4.03Å; K310-D313 PolarHBondContact O-N 2.64Å; D313-D315 VanDerWaalsContact C-N 3.31Å; D313-D315 PolarHBondContact O-N 2.95Å; D313-V316 PolarHBondContact O-N 2.95Å; D313-Q317 WeakPolarHBondContact O-CB 3.45Å; D313-Q317 WeakPolarHBondContact O-CG 3.43Å; D313-Q317 PolarHBondContact O-N 2.76Å
314	G	94.5	Very high	93.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-33.6	-179.7	0	0	0	0	0	112.5	C309 K310 Y312 S318	C309-G314 VanDerWaalsContact CB-N 3.29Å; K310-G314 PolarHBondContact O-N 2.69Å; Y312-G314 VanDerWaalsContact C-N 3.29Å; Y312-G314 PolarHBondContact O-N 2.96Å; G314-S318 WeakPolarHBondContact O-CB 3.38Å; G314-S318 PolarHBondContact O-N 2.98Å; G314-S318 PolarHBondContact O-OG 3.15Å
315	D	85.3	Confident	93.2	Very high	47 Å²	47	28.4 Å²	28.4	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-63.4	-59.5	173.8	-153	29.6	0	0	0	110.3	R173 Y180 N311 Y312 D313 Q317 S318	R173-D315 IonicContact CZ-OD1 2.79Å; R173-D315 IonicContact NH1-OD1 3.36Å; R173-D315 PolarHBondContact NH1-OD1 2.83Å; R173-D315 IonicContact NH2-OD1 3.78Å; R173-D315 IonicContact NH2-OD2 2.66Å; Y180-D315 WeakPolarHBondContact OH-CB 3.37Å; Y180-D315 PolarHBondContact OH-OD2 3.03Å; N311-D315 PolarHBondContact O-N 2.8Å; Y312-D315 WeakPolarHBondContact O-CB 3.31Å; Y312-D315 PolarHBondContact O-N 2.8Å; D313-D315 VanDerWaalsContact C-N 3.31Å; D313-D315 PolarHBondContact O-N 2.95Å; D315-Q317 PolarHBondContact O-N 2.67Å; D315-S318 PolarHBondContact O-N 3.31Å; D315-S318 PolarHBondContact O-OG 3.31Å
316	V	88.9	Confident	92.8	Very high	53 Å²	53	28.2 Å²	28.2	32%	0.321	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-48.6	-175.8	177	0	0	0	0	112.1	Y312 D313 S318 D319 I320	Y312-V316 HydrophobicContact CD1-CG2 4.48Å; Y312-V316 HydrophobicContact CE1-CG2 4.04Å; Y312-V316 HydrophobicContact CE2-CG2 4.1Å; Y312-V316 PolarHBondContact O-N 2.78Å; Y312-V316 VanDerWaalsContact O-N 3.11Å; D313-V316 PolarHBondContact O-N 2.95Å; V316-S318 VanDerWaalsContact C-N 3.33Å; V316-S318 PolarHBondContact O-N 3.05Å; V316-D319 PolarHBondContact O-N 2.67Å; V316-I320 HydrophobicContact CG1-CD1 4.29Å; V316-I320 PolarHBondContact O-N 2.87Å
317	Q	95.3	Very high	92.5	Very high	37 Å²	37	28.9 Å²	28.9	17%	0.173	15%	0.145	C	C	.	.	H	α-helix	trans	-73.8	-27.1	-172.3	-59.8	-60.4	-34.6	0	0	112.2	I171 W307 D313 D315 I320 L321	I171-Q317 VanDerWaalsContact CD1-C 3.48Å; I171-Q317 HydrophobicContact CD1-CB 3.67Å; W307-Q317 HydrophobicContact CH2-CB 3.73Å; W307-Q317 HydrophobicContact CH2-CG 3.54Å; W307-Q317 HydrophobicContact CZ2-CG 4.15Å; W307-Q317 HydrophobicContact CZ3-CB 3.85Å; W307-Q317 HydrophobicContact CZ3-CG 4.19Å; D313-Q317 WeakPolarHBondContact O-CB 3.45Å; D313-Q317 WeakPolarHBondContact O-CG 3.43Å; D313-Q317 PolarHBondContact O-N 2.76Å; D315-Q317 PolarHBondContact O-N 2.67Å; Q317-I320 PolarHBondContact O-N 3.19Å; Q317-L321 WeakPolarHBondContact O-CG 3.43Å; Q317-L321 PolarHBondContact O-N 3.21Å
318	S	90.9	Very high	92	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-32.4	176.4	69.4	0	0	0	0	113.2	R150 G314 D315 V316 L321 A322	R150-S318 VanDerWaalsContact CD-CB 3.44Å; R150-S318 WeakPolarHBondContact CD-OG 3.23Å; R150-S318 PolarHBondContact NH1-OG 3.3Å; G314-S318 WeakPolarHBondContact O-CB 3.38Å; G314-S318 PolarHBondContact O-N 2.98Å; G314-S318 PolarHBondContact O-OG 3.15Å; D315-S318 PolarHBondContact O-N 3.31Å; D315-S318 PolarHBondContact O-OG 3.31Å; V316-S318 VanDerWaalsContact C-N 3.33Å; V316-S318 PolarHBondContact O-N 3.05Å; S318-L321 PolarHBondContact O-N 2.9Å; S318-A322 WeakPolarHBondContact O-CB 3.27Å; S318-A322 PolarHBondContact O-N 2.97Å
319	D	83.3	Confident	91.6	Very high	80 Å²	80	32.2 Å²	32.2	43%	0.428	16%	0.164	S	C	.	.	H	α-helix	trans	-69.9	-39.5	173.1	-74.2	3.9	0	0	0	111.2	R150 V316 A322 Q323	R150-D319 IonicContact NH1-OD1 3.35Å; R150-D319 PolarHBondContact NH1-OD1 2.91Å; V316-D319 PolarHBondContact O-N 2.67Å; D319-A322 PolarHBondContact O-N 2.74Å; D319-Q323 PolarHBondContact O-N 2.78Å
320	I	91.6	Very high	91.4	Very high	87 Å²	87	32.3 Å²	32.3	45%	0.446	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-46.4	172.5	-66.7	172.7	0	0	0	110.6	V316 Q317 Q323 G324	V316-I320 HydrophobicContact CG1-CD1 4.29Å; V316-I320 PolarHBondContact O-N 2.87Å; Q317-I320 PolarHBondContact O-N 3.19Å; I320-Q323 PolarHBondContact O-N 2.88Å; I320-G324 PolarHBondContact O-N 2.74Å
321	L	93.6	Very high	91.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-46.3	176.4	-73.7	-174.3	0	0	0	111.4	W165 I169 I171 V298 Q317 S318 Q323 G324 F325 M331	W165-L321 HydrophobicContact CH2-CD2 3.77Å; W165-L321 HydrophobicContact CZ2-CD2 4.31Å; W165-L321 HydrophobicContact CZ3-CD2 3.91Å; I169-L321 HydrophobicContact CB-CD1 3.94Å; I169-L321 HydrophobicContact CB-CD2 4.27Å; I169-L321 HydrophobicContact CD1-CD2 3.98Å; I169-L321 HydrophobicContact CG2-CD1 3.58Å; I169-L321 HydrophobicContact CG2-CD2 4.36Å; I171-L321 HydrophobicContact CD1-CD1 3.36Å; I171-L321 HydrophobicContact CD1-CG 4.04Å; I171-L321 HydrophobicContact CG1-CD1 3.58Å; V298-L321 HydrophobicContact CG1-CD2 4.43Å; Q317-L321 WeakPolarHBondContact O-CG 3.43Å; Q317-L321 PolarHBondContact O-N 3.21Å; S318-L321 PolarHBondContact O-N 2.9Å; L321-Q323 VanDerWaalsContact C-N 3.3Å; L321-Q323 PolarHBondContact O-N 2.94Å; L321-G324 PolarHBondContact O-N 3.26Å; L321-G324 VanDerWaalsContact O-N 3.13Å; L321-F325 HydrophobicContact CB-CD2 4.48Å; L321-F325 HydrophobicContact CD2-CE2 4.17Å; L321-F325 WeakPolarHBondContact O-CB 3.29Å; L321-F325 VanDerWaalsContact O-CD2 3.28Å; L321-F325 WeakPolarHBondContact O-CD2 3.17Å; L321-F325 PolarHBondContact O-N 2.87Å; L321-M331 HydrophobicContact CB-CE 4.21Å
322	A	86.3	Confident	91.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-44	179.9	0	0	0	0	0	112.2	S318 D319 G326 S327 L328 M331	S318-A322 WeakPolarHBondContact O-CB 3.27Å; S318-A322 PolarHBondContact O-N 2.97Å; D319-A322 PolarHBondContact O-N 2.74Å; A322-G326 PolarHBondContact O-N 3.19Å; A322-S327 CarbonylContact O-C 3.56Å; A322-S327 PolarHBondContact O-N 2.88Å; A322-L328 HydrophobicContact CB-CD2 3.54Å; A322-L328 HydrophobicContact CB-CG 4.27Å; A322-M331 VanDerWaalsContact CA-CE 3.42Å; A322-M331 HydrophobicContact CB-CB 4.03Å; A322-M331 HydrophobicContact CB-CE 3.7Å; A322-M331 HydrophobicContact CB-CG 4.17Å
323	Q	85	Confident	91.1	Very high	100 Å²	100	26.2 Å²	26.2	47%	0.467	14%	0.141	S	C	.	.	H	α-helix	trans	-70.5	-37.9	176.2	-169.9	55.5	72.8	0	0	112.4	L161 D319 I320 L321 F325 G326	L161-Q323 HydrophobicContact CD1-CG 4.14Å; D319-Q323 PolarHBondContact O-N 2.78Å; I320-Q323 PolarHBondContact O-N 2.88Å; L321-Q323 VanDerWaalsContact C-N 3.3Å; L321-Q323 PolarHBondContact O-N 2.94Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 2.86Å; Q323-G326 PolarHBondContact NE2-O 2.73Å; Q323-G326 PolarHBondContact O-N 2.56Å; Q323-G326 VanDerWaalsContact O-N 3.09Å
324	G	92.6	Very high	91.1	Very high	4 Å²	4	25.6 Å²	25.6	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-27.8	178.9	0	0	0	0	0	113.9	R160 L161 I320 L321 G326	R160-G324 CarbonylContact C-O 3.59Å; R160-G324 WeakPolarHBondContact CA-O 3.46Å; R160-G324 WeakPolarHBondContact CB-O 3.19Å; L161-G324 PolarHBondContact N-O 3.29Å; I320-G324 PolarHBondContact O-N 2.74Å; L321-G324 PolarHBondContact O-N 3.26Å; L321-G324 VanDerWaalsContact O-N 3.13Å; G324-G326 VanDerWaalsContact C-N 3.34Å
325	F	93.7	Very high	91	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.035	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.7	171.5	-79.4	-83.6	0	0	0	114	P152 I154 R160 W165 I169 L321 Q323	P152-F325 HydrophobicContact CB-CB 3.6Å; P152-F325 HydrophobicContact CB-CD1 3.93Å; P152-F325 HydrophobicContact CB-CD2 3.86Å; P152-F325 HydrophobicContact CB-CG 3.52Å; P152-F325 HydrophobicContact CG-CB 4.3Å; P152-F325 HydrophobicContact CG-CD1 3.84Å; P152-F325 HydrophobicContact CG-CD2 3.63Å; P152-F325 HydrophobicContact CG-CE1 4.01Å; P152-F325 HydrophobicContact CG-CE2 3.81Å; P152-F325 HydrophobicContact CG-CG 3.65Å; P152-F325 HydrophobicContact CG-CZ 4Å; I154-F325 HydrophobicContact CD1-CE1 4.18Å; I154-F325 HydrophobicContact CG1-CD1 4.39Å; I154-F325 HydrophobicContact CG1-CE1 4.49Å; R160-F325 HydrophobicContact CG-CD1 4.17Å; W165-F325 HydrophobicContact CB-CE1 4.07Å; W165-F325 HydrophobicContact CB-CZ 3.83Å; W165-F325 HydrophobicContact CD2-CE2 4.19Å; W165-F325 HydrophobicContact CD2-CZ 4.26Å; W165-F325 AromaticContact CE3-CD2 3.93Å; W165-F325 HydrophobicContact CE3-CD2 3.93Å; W165-F325 AromaticContact CE3-CE2 3.55Å; W165-F325 HydrophobicContact CE3-CE2 3.55Å; W165-F325 AromaticContact CE3-CZ 3.93Å; W165-F325 HydrophobicContact CE3-CZ 3.93Å; W165-F325 HydrophobicContact CG-CZ 4.27Å; W165-F325 HydrophobicContact CZ3-CD2 4.21Å; W165-F325 HydrophobicContact CZ3-CE2 4.08Å; I169-F325 HydrophobicContact CB-CE2 4.36Å; I169-F325 HydrophobicContact CD1-CE2 4.27Å; I169-F325 HydrophobicContact CD1-CZ 4.39Å; I169-F325 HydrophobicContact CG1-CE2 4.45Å; I169-F325 HydrophobicContact CG1-CZ 4.38Å; L321-F325 HydrophobicContact CB-CD2 4.48Å; L321-F325 HydrophobicContact CD2-CE2 4.17Å; L321-F325 WeakPolarHBondContact O-CB 3.29Å; L321-F325 VanDerWaalsContact O-CD2 3.28Å; L321-F325 WeakPolarHBondContact O-CD2 3.17Å; L321-F325 PolarHBondContact O-N 2.87Å; Q323-F325 VanDerWaalsContact C-N 3.29Å; Q323-F325 PolarHBondContact O-N 2.86Å
326	G	91.6	Very high	91.4	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	126.1	-61.8	168.7	0	0	0	0	0	113.1	A322 Q323 G324 C419	A322-G326 PolarHBondContact O-N 3.19Å; Q323-G326 PolarHBondContact NE2-O 2.73Å; Q323-G326 PolarHBondContact O-N 2.56Å; Q323-G326 VanDerWaalsContact O-N 3.09Å; G324-G326 VanDerWaalsContact C-N 3.34Å; G326-C419 PolarHBondContact O-SG 2.98Å
327	S	90.9	Very high	91.4	Very high	14 Å²	14	22.1 Å²	22.1	10%	0.098	12%	0.119	C	C	.	.			trans	-148.8	147.3	-174.7	176.4	0	0	0	0	111.7	A322 G329 L330 D415	A322-S327 CarbonylContact O-C 3.56Å; A322-S327 PolarHBondContact O-N 2.88Å; S327-G329 PolarHBondContact O-N 3.16Å; S327-G329 PolarHBondContact OG-N 3.1Å; S327-L330 WeakPolarHBondContact O-CA 3.41Å; S327-L330 WeakPolarHBondContact O-CB 3.49Å; S327-L330 PolarHBondContact O-N 2.8Å; S327-D415 VanDerWaalsContact CB-OD2 3.29Å; S327-D415 WeakPolarHBondContact CB-OD2 3.25Å; S327-D415 PolarHBondContact OG-OD2 3.08Å
328	L	87.8	Confident	90.9	Very high	65 Å²	65	23.2 Å²	23.2	34%	0.34	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-57	-26.7	167.2	-75.9	166	0	0	0	112.7	A322 L330 M331 H349	A322-L328 HydrophobicContact CB-CD2 3.54Å; A322-L328 HydrophobicContact CB-CG 4.27Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-M331 PolarHBondContact O-N 3.46Å; L328-H349 HydrophobicContact CB-CB 4.14Å
329	G	90.8	Very high	90.7	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-68.9	-10.3	173.4	0	0	0	0	0	114.2	S327 A371	S327-G329 PolarHBondContact O-N 3.16Å; S327-G329 PolarHBondContact OG-N 3.1Å; G329-A371 WeakPolarHBondContact O-CB 3.34Å; G329-A371 PolarHBondContact O-N 2.91Å
330	L	94.3	Very high	90.7	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-110.3	34.1	175.4	-63.3	-178.6	0	0	0	111.7	P152 I153 I158 S327 L328 I370 L416	P152-L330 CarbonylContact C-O 3.51Å; P152-L330 VanDerWaalsContact CA-O 3.29Å; P152-L330 WeakPolarHBondContact CA-O 3.34Å; I153-L330 HydrophobicContact CB-CB 4.22Å; I153-L330 HydrophobicContact CB-CD2 4.3Å; I153-L330 HydrophobicContact CG2-CD2 4.41Å; I153-L330 PolarHBondContact N-O 2.78Å; I158-L330 HydrophobicContact CG1-CD1 4.49Å; I158-L330 HydrophobicContact CG2-CD1 4.42Å; S327-L330 WeakPolarHBondContact O-CA 3.41Å; S327-L330 WeakPolarHBondContact O-CB 3.49Å; S327-L330 PolarHBondContact O-N 2.8Å; L328-L330 PolarHBondContact O-N 3.28Å; L330-I370 HydrophobicContact CD2-CB 4.35Å; L330-I370 HydrophobicContact CD2-CD1 3.77Å; L330-I370 HydrophobicContact CD2-CG2 4.11Å; L330-L416 HydrophobicContact CD1-CD2 3.5Å; L330-L416 VanDerWaalsContact CD1-CD2 3.5Å; L330-L416 HydrophobicContact CD2-CD1 4.44Å; L330-L416 HydrophobicContact CD2-CD2 4.43Å; L330-L416 HydrophobicContact CG-CD2 3.83Å
331	M	93.6	Very high	90.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.2	177.3	-176.9	65.8	69.9	0	0	110.4	R150 E151 P152 L321 A322 L328 A348 A371	R150-M331 HydrophobicContact CB-CG 4.29Å; R150-M331 HydrophobicContact CB-SD 3.87Å; E151-M331 PolarHBondContact N-SD 3.32Å; E151-M331 VanDerWaalsContact N-SD 3.35Å; E151-M331 VanDerWaalsContact O-SD 3.34Å; P152-M331 HydrophobicContact CB-CE 3.86Å; P152-M331 HydrophobicContact CB-SD 4.42Å; P152-M331 HydrophobicContact CG-CE 4.41Å; P152-M331 VanDerWaalsContact N-SD 3.42Å; L321-M331 HydrophobicContact CB-CE 4.21Å; A322-M331 VanDerWaalsContact CA-CE 3.42Å; A322-M331 HydrophobicContact CB-CB 4.03Å; A322-M331 HydrophobicContact CB-CE 3.7Å; A322-M331 HydrophobicContact CB-CG 4.17Å; L328-M331 PolarHBondContact O-N 3.46Å; M331-A348 HydrophobicContact CB-CB 3.86Å; M331-A348 HydrophobicContact CG-CB 3.51Å; M331-A348 PolarHBondContact O-N 3.29Å; M331-A371 WeakPolarHBondContact O-CB 3.39Å
332	T	93	Very high	90.8	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.043	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	155.6	171.9	61.6	0	0	0	0	110.8	R150 E151 I153 F374	R150-T332 VanDerWaalsContact CA-O 3.26Å; R150-T332 WeakPolarHBondContact CA-O 3.5Å; E151-T332 PolarHBondContact N-O 3.33Å; E151-T332 PolarHBondContact O-N 2.9Å; E151-T332 PolarHBondContact O-OG1 3.27Å; I153-T332 HydrophobicContact CD1-CG2 3.84Å; I153-T332 HydrophobicContact CG1-CG2 3.87Å; T332-F374 HydrophobicContact CG2-CB 3.71Å; T332-F374 HydrophobicContact CG2-CD1 3.7Å; T332-F374 HydrophobicContact CG2-CG 4.08Å
333	S	93.9	Very high	91.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	118.7	172.1	-176.9	0	0	0	0	109.2	V148 F149 E346	V148-S333 VanDerWaalsContact CG1-OG 3.24Å; V148-S333 WeakPolarHBondContact CG1-OG 3.36Å; F149-S333 CarbonylContact O-C 3.59Å; F149-S333 WeakPolarHBondContact O-CA 3.46Å; S333-E346 WeakPolarHBondContact CB-O 3.26Å; S333-E346 PolarHBondContact N-O 2.55Å; S333-E346 VanDerWaalsContact N-O 3.11Å; S333-E346 PolarHBondContact O-N 3.19Å
334	V	95.5	Very high	91.9	Very high	17 Å²	17	21.7 Å²	21.7	10%	0.103	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.2	180	-174.5	0	0	0	0	109.6	F149 V336 I343 E344 A345 R378	F149-V334 PolarHBondContact N-O 3.32Å; F149-V334 PolarHBondContact O-N 3.36Å; V334-V336 HydrophobicContact CG1-CG2 3.99Å; V334-I343 HydrophobicContact CG1-CB 4.11Å; V334-I343 HydrophobicContact CG1-CD1 4.15Å; V334-I343 HydrophobicContact CG1-CG2 4.46Å; V334-E344 CarbonylContact C-O 3.56Å; V334-E344 WeakPolarHBondContact CA-O 3.02Å; V334-A345 HydrophobicContact CG2-CB 4.25Å; V334-R378 HydrophobicContact CG2-CB 4.3Å; V334-R378 HydrophobicContact CG2-CG 4.5Å
335	L	93.9	Very high	92.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.7	165.4	178.6	68.2	0	0	0	109	R141 L144 T147 V148 I343 E344	R141-L335 HydrophobicContact CG-CD1 4.29Å; R141-L335 HydrophobicContact CG-CD2 4.02Å; L144-L335 HydrophobicContact CB-CD2 4.01Å; L144-L335 HydrophobicContact CD1-CD2 3.8Å; L144-L335 HydrophobicContact CG-CD2 4.49Å; T147-L335 CarbonylContact O-C 3.6Å; T147-L335 WeakPolarHBondContact O-CA 3.4Å; V148-L335 HydrophobicContact CG2-CB 4.39Å; V148-L335 HydrophobicContact CG2-CD1 3.84Å; L335-I343 WeakPolarHBondContact O-CA 3.46Å; L335-I343 WeakPolarHBondContact O-CB 3.43Å; L335-E344 HydrophobicContact CB-CB 4.2Å; L335-E344 HydrophobicContact CD2-CB 4.4Å; L335-E344 PolarHBondContact N-O 3.33Å; L335-E344 PolarHBondContact O-N 3.05Å
336	V	92.2	Very high	92.2	Very high	22 Å²	22	21.5 Å²	21.5	13%	0.133	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.7	175.9	-179.5	0	0	0	0	108.8	G146 T147 F149 S235 V334 I343	G146-V336 VanDerWaalsContact CA-O 3.26Å; G146-V336 WeakPolarHBondContact CA-O 3.26Å; T147-V336 PolarHBondContact N-O 2.75Å; T147-V336 PolarHBondContact O-N 3.22Å; F149-V336 HydrophobicContact CD2-CB 4.01Å; F149-V336 HydrophobicContact CD2-CG2 3.7Å; F149-V336 HydrophobicContact CE2-CB 3.91Å; F149-V336 HydrophobicContact CE2-CG2 4.05Å; S235-V336 PolarHBondContact OG-O 2.89Å; V334-V336 HydrophobicContact CG1-CG2 3.99Å; V336-I343 HydrophobicContact CG2-CG2 4.28Å
337	C	90.6	Very high	92.1	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.034	13%	0.128	C	C	.	.			trans	-75.4	155.3	176.5	-64	0	0	0	0	111.2	D339 G340 T342	C337-D339 WeakPolarHBondContact CB-OD1 3.29Å; C337-D339 PolarHBondContact O-N 3.38Å; C337-G340 PolarHBondContact O-N 3.33Å; C337-T342 HydrophobicContact CB-CG2 4.46Å; C337-T342 VanDerWaalsContact CB-O 3.29Å; C337-T342 WeakPolarHBondContact CB-O 3.48Å; C337-T342 PolarHBondContact N-O 3.02Å; C337-T342 PolarHBondContact SG-O 2.71Å; C337-T342 VanDerWaalsContact SG-O 3.41Å
338	P	83.1	Confident	91.8	Very high	59 Å²	59	21.3 Å²	21.3	38%	0.383	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12	-178.3	28.8	-36.3	0	0	0	114	G340	P338-G340 PolarHBondContact O-N 3.39Å
339	D	87.3	Confident	91.9	Very high	91 Å²	91	19.5 Å²	19.5	49%	0.487	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.6	173.9	68.1	-1	0	0	0	113.2	C337 K341 T342	C337-D339 WeakPolarHBondContact CB-OD1 3.29Å; C337-D339 PolarHBondContact O-N 3.38Å; D339-K341 PolarHBondContact O-N 2.93Å; D339-K341 PolarHBondContact OD1-N 3.37Å; D339-T342 PolarHBondContact OD1-N 3.47Å; D339-T342 WeakPolarHBondContact OD2-CB 3.18Å; D339-T342 PolarHBondContact OD2-N 2.58Å; D339-T342 PolarHBondContact OD2-OG1 2.88Å
340	G	83.3	Confident	91.9	Very high	42 Å²	42	21.7 Å²	21.7	43%	0.433	14%	0.139	S	C	.	.	S	Bend	trans	68.2	11.3	-177.5	0	0	0	0	0	113.8	C337 P338	C337-G340 PolarHBondContact O-N 3.33Å; P338-G340 PolarHBondContact O-N 3.39Å
341	K	92.1	Very high	91.9	Very high	90 Å²	90	22 Å²	22	39%	0.391	14%	0.142	S	C	.	.	S	Bend	trans	-128.9	-41.4	-171.5	-169.1	-172.1	175.6	-153.3	0	112.8	N109 D339 H382 L386	N109-K341 HydrophobicContact CB-CD 4.48Å; N109-K341 HydrophobicContact CB-CG 4.2Å; N109-K341 VanDerWaalsContact CG-CE 3.4Å; N109-K341 VanDerWaalsContact CG-NZ 3.35Å; N109-K341 PolarHBondContact ND2-NZ 2.83Å; N109-K341 VanDerWaalsContact OD1-CD 3.25Å; N109-K341 WeakPolarHBondContact OD1-CD 3.39Å; N109-K341 WeakPolarHBondContact OD1-CE 3.39Å; N109-K341 PolarHBondContact OD1-NZ 3.48Å; D339-K341 PolarHBondContact O-N 2.93Å; D339-K341 PolarHBondContact OD1-N 3.37Å; K341-H382 PolarHBondContact O-NE2 2.75Å; K341-L386 HydrophobicContact CG-CD1 4.08Å; K341-L386 HydrophobicContact CG-CD2 3.7Å
342	T	96.4	Very high	92	Very high	5 Å²	5	24 Å²	24	3%	0.031	15%	0.154	C	C	.	.			trans	-88.7	126.9	-174.3	-57.5	0	0	0	0	110.8	T105 N109 L144 C337 D339	T105-T342 HydrophobicContact CG2-CG2 4.14Å; N109-T342 CarbonylContact O-C 3.46Å; N109-T342 VanDerWaalsContact O-CA 3.29Å; N109-T342 WeakPolarHBondContact O-CA 3.29Å; L144-T342 HydrophobicContact CD2-CG2 4.48Å; C337-T342 HydrophobicContact CB-CG2 4.46Å; C337-T342 VanDerWaalsContact CB-O 3.29Å; C337-T342 WeakPolarHBondContact CB-O 3.48Å; C337-T342 PolarHBondContact N-O 3.02Å; C337-T342 PolarHBondContact SG-O 2.71Å; C337-T342 VanDerWaalsContact SG-O 3.41Å; D339-T342 PolarHBondContact OD1-N 3.47Å; D339-T342 WeakPolarHBondContact OD2-CB 3.18Å; D339-T342 PolarHBondContact OD2-N 2.58Å; D339-T342 PolarHBondContact OD2-OG1 2.88Å
343	I	96.3	Very high	92.1	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.051	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.9	174.8	75	166	0	0	0	112.8	N109 V110 A111 V334 L335 V336 H382	N109-I343 PolarHBondContact O-N 3.44Å; V110-I343 HydrophobicContact CG1-CG1 4.36Å; A111-I343 PolarHBondContact N-O 2.85Å; V334-I343 HydrophobicContact CG1-CB 4.11Å; V334-I343 HydrophobicContact CG1-CD1 4.15Å; V334-I343 HydrophobicContact CG1-CG2 4.46Å; L335-I343 WeakPolarHBondContact O-CA 3.46Å; L335-I343 WeakPolarHBondContact O-CB 3.43Å; V336-I343 HydrophobicContact CG2-CG2 4.28Å; I343-H382 HydrophobicContact CD1-CB 3.36Å; I343-H382 HydrophobicContact CG1-CB 4.22Å
344	E	98	Very high	92.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.4	163.6	176.4	-83.2	135.3	0	0	108.1	A111 K113 L144 V334 L335 E346	A111-E344 HydrophobicContact CB-CB 4.07Å; A111-E344 HydrophobicContact CB-CG 3.94Å; A111-E344 WeakPolarHBondContact O-CA 3.5Å; K113-E344 HydrophobicContact CB-CG 4.39Å; K113-E344 WeakPolarHBondContact CB-OE1 3.18Å; L144-E344 HydrophobicContact CD1-CB 4.22Å; V334-E344 CarbonylContact C-O 3.56Å; V334-E344 WeakPolarHBondContact CA-O 3.02Å; L335-E344 HydrophobicContact CB-CB 4.2Å; L335-E344 HydrophobicContact CD2-CB 4.4Å; L335-E344 PolarHBondContact N-O 3.33Å; L335-E344 PolarHBondContact O-N 3.05Å; E344-E346 VanDerWaalsContact OE1-CB 3.31Å; E344-E346 WeakPolarHBondContact OE1-CB 3.15Å
345	A	97.4	Very high	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.2	-179.5	0	0	0	0	0	110.4	A111 V112 K113 V334 A375 R378	A111-A345 PolarHBondContact O-N 3.43Å; V112-A345 WeakPolarHBondContact CA-O 3.09Å; K113-A345 PolarHBondContact N-O 3.48Å; V334-A345 HydrophobicContact CG2-CB 4.25Å; A345-A375 WeakPolarHBondContact CB-O 3.4Å; A345-R378 HydrophobicContact CB-CB 4.17Å
346	E	94.8	Very high	92.5	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	164.4	177.8	59	179.9	163.6	0	0	111.4	K113 N137 R141 S333 E344	K113-E346 HydrophobicContact CB-CB 4.24Å; K113-E346 IonicContact NZ-OE2 2.69Å; N137-E346 PolarHBondContact ND2-OE2 3Å; N137-E346 PolarHBondContact OD1-OE2 3.36Å; R141-E346 IonicContact CZ-OE1 2.68Å; R141-E346 IonicContact NH2-OE1 2.64Å; R141-E346 PolarHBondContact NH2-OE1 2.75Å; S333-E346 WeakPolarHBondContact CB-O 3.26Å; S333-E346 PolarHBondContact N-O 2.55Å; S333-E346 VanDerWaalsContact N-O 3.11Å; S333-E346 PolarHBondContact O-N 3.19Å; E344-E346 VanDerWaalsContact OE1-CB 3.31Å; E344-E346 WeakPolarHBondContact OE1-CB 3.15Å
347	A	88.9	Confident	92.7	Very high	6 Å²	6	39.6 Å²	39.6	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.7	162.5	0	0	0	0	0	109.6	H349 A371	A347-H349 PolarHBondContact O-N 3.44Å; A347-A371 HydrophobicContact CB-CB 3.79Å
348	A	85.4	Confident	93.1	Very high	10 Å²	10	41.8 Å²	41.8	8%	0.083	22%	0.224	C	C	.	.	S	Bend	trans	-71.8	-12.5	179.4	0	0	0	0	0	114	R150 M331	R150-A348 PolarHBondContact NH2-O 3.26Å; M331-A348 HydrophobicContact CB-CB 3.86Å; M331-A348 HydrophobicContact CG-CB 3.51Å; M331-A348 PolarHBondContact O-N 3.29Å
349	H	88.2	Confident	93.8	Very high	27 Å²	27	43 Å²	43	13%	0.125	22%	0.224	C	C	.	.	S	Bend	trans	-100.6	166	-175.1	63.1	65.4	0	0	0	113.5	L328 A347	L328-H349 HydrophobicContact CB-CB 4.14Å; A347-H349 PolarHBondContact O-N 3.44Å
350	G	90.6	Very high	94.3	Very high	49 Å²	49	43.6 Å²	43.6	51%	0.505	22%	0.224	S	C	.	.			trans	-76.1	-165	174.2	0	0	0	0	0	114.3	V352	G350-V352 VanDerWaalsContact C-N 3.26Å; G350-V352 PolarHBondContact O-N 3.24Å
351	T	95.3	Very high	95	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	23%	0.229	C	C	.	.			trans	-79	-1.9	-171.8	55.7	0	0	0	0	115.2	D57 E58 M59 T60 A115 T116 I117	D57-T351 HydrophobicContact CB-CG2 3.94Å; E58-T351 VanDerWaalsContact OE2-CB 3.23Å; E58-T351 WeakPolarHBondContact OE2-CB 3.43Å; E58-T351 PolarHBondContact OE2-OG1 2.85Å; M59-T351 PolarHBondContact N-O 3.24Å; T60-T351 WeakPolarHBondContact OG1-CA 3.44Å; A115-T351 HydrophobicContact CB-CG2 3.97Å; A115-T351 WeakPolarHBondContact O-CG2 3.24Å; T116-T351 VanDerWaalsContact C-CG2 3.47Å; I117-T351 HydrophobicContact CG1-CG2 4.12Å
352	V	95.6	Very high	95.2	Very high	42 Å²	42	46.6 Å²	46.6	26%	0.255	25%	0.245	S	C	.	.			trans	58.4	46.2	178.8	-155.4	0	0	0	0	112.9	M59 T60 G350 R354 H355 Y356 T367	M59-V352 HydrophobicContact CB-CB 4.2Å; T60-V352 HydrophobicContact CG2-CG2 4.42Å; G350-V352 VanDerWaalsContact C-N 3.26Å; G350-V352 PolarHBondContact O-N 3.24Å; V352-R354 VanDerWaalsContact C-N 3.25Å; V352-R354 PolarHBondContact O-N 3.4Å; V352-R354 VanDerWaalsContact O-N 3.09Å; V352-H355 HydrophobicContact CG1-CB 3.79Å; V352-H355 PolarHBondContact O-N 3.36Å; V352-Y356 PolarHBondContact O-N 3.19Å; V352-Y356 VanDerWaalsContact O-N 3.14Å; V352-T367 HydrophobicContact CB-CG2 4.28Å; V352-T367 HydrophobicContact CG1-CG2 4.15Å; V352-T367 HydrophobicContact CG2-CG2 4Å
353	T	95.8	Very high	95.2	Very high	42 Å²	42	52.9 Å²	52.9	26%	0.258	27%	0.268	S	S	.	.	H	α-helix	trans	-45.1	-44.1	-178.5	-50.8	0	0	0	0	114	E58 R123 H355 Y356 R357	E58-T353 WeakPolarHBondContact OE1-CG2 3.21Å; E58-T353 PolarHBondContact OE1-OG1 3.22Å; E58-T353 WeakPolarHBondContact OE2-CA 3.16Å; E58-T353 VanDerWaalsContact OE2-CB 3.3Å; E58-T353 WeakPolarHBondContact OE2-CB 3.29Å; E58-T353 PolarHBondContact OE2-N 3.2Å; E58-T353 PolarHBondContact OE2-OG1 3.06Å; R123-T353 PolarHBondContact NH2-OG1 2.9Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 2.96Å; T353-Y356 WeakPolarHBondContact O-CA 3.11Å; T353-Y356 WeakPolarHBondContact O-CB 3.29Å; T353-Y356 PolarHBondContact O-N 3.44Å; T353-R357 HydrophobicContact CG2-CG 4.45Å; T353-R357 WeakPolarHBondContact O-CG 3.31Å; T353-R357 PolarHBondContact O-N 2.96Å
354	R	95.4	Very high	95.1	Very high	182 Å²	182	57 Å²	57	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-57.8	-40.9	-179.2	-171.8	-179.4	68.6	80.4	0.6	112.1	V352	V352-R354 VanDerWaalsContact C-N 3.25Å; V352-R354 PolarHBondContact O-N 3.4Å; V352-R354 VanDerWaalsContact O-N 3.09Å
355	H	97.6	Very high	95.1	Very high	34 Å²	34	57.8 Å²	57.8	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-73.6	-34.9	176.6	-71.3	-161.2	0	0	0	110.7	M59 V352 T353 R357 E358 H359 T365 S366 T367	M59-H355 HydrophobicContact CG-CB 3.68Å; M59-H355 HydrophobicContact SD-CB 4.45Å; V352-H355 HydrophobicContact CG1-CB 3.79Å; V352-H355 PolarHBondContact O-N 3.36Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 2.96Å; H355-R357 VanDerWaalsContact C-N 3.3Å; H355-R357 PolarHBondContact O-N 3.34Å; H355-E358 PolarHBondContact O-N 3.47Å; H355-E358 VanDerWaalsContact O-N 3.1Å; H355-H359 PolarHBondContact O-N 3.19Å; H355-T365 HydrophobicContact CB-CG2 4.2Å; H355-T365 VanDerWaalsContact O-CG2 3.26Å; H355-T365 WeakPolarHBondContact O-CG2 3.38Å; H355-S366 PolarHBondContact CE1-O 2.96Å; H355-T367 PolarHBondContact ND1-OG1 3.02Å
356	Y	98.1	Very high	95.1	Very high	57 Å²	57	58.3 Å²	58.3	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-40	176.8	-172.4	-117.7	0	0	0	111.9	E58 M59 I62 V352 T353 E358 H359 Q360	E58-Y356 VanDerWaalsContact C-CD2 3.42Å; E58-Y356 HydrophobicContact CB-CD1 3.75Å; E58-Y356 HydrophobicContact CB-CD2 3.88Å; E58-Y356 HydrophobicContact CB-CE1 4.3Å; E58-Y356 HydrophobicContact CB-CE2 4.42Å; E58-Y356 HydrophobicContact CB-CG 3.52Å; E58-Y356 HydrophobicContact CG-CD1 3.65Å; E58-Y356 HydrophobicContact CG-CE1 4.05Å; E58-Y356 HydrophobicContact CG-CG 3.98Å; M59-Y356 HydrophobicContact CG-CD2 4.43Å; M59-Y356 HydrophobicContact SD-CD2 4.21Å; I62-Y356 HydrophobicContact CD1-CD2 4.08Å; I62-Y356 HydrophobicContact CD1-CE2 3.96Å; V352-Y356 PolarHBondContact O-N 3.19Å; V352-Y356 VanDerWaalsContact O-N 3.14Å; T353-Y356 WeakPolarHBondContact O-CA 3.11Å; T353-Y356 WeakPolarHBondContact O-CB 3.29Å; T353-Y356 PolarHBondContact O-N 3.44Å; Y356-E358 VanDerWaalsContact C-N 3.29Å; Y356-E358 PolarHBondContact O-N 2.82Å; Y356-H359 WeakPolarHBondContact O-CB 3.37Å; Y356-H359 PolarHBondContact O-N 2.84Å; Y356-Q360 HydrophobicContact CD1-CG 4.18Å; Y356-Q360 VanDerWaalsContact CE1-CD 3.44Å; Y356-Q360 HydrophobicContact CE1-CG 3.87Å; Y356-Q360 HydrophobicContact CE2-CG 4.38Å; Y356-Q360 WeakPolarHBondContact O-CG 3.38Å; Y356-Q360 PolarHBondContact O-N 3.23Å
357	R	97.6	Very high	95.3	Very high	61 Å²	61	58.1 Å²	58.1	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-33.6	174.8	-59.8	-43.4	-179.8	-168	-0.9	113.5	E126 T353 H355 K361	E126-R357 IonicContact OE1-CZ 3.65Å; E126-R357 IonicContact OE1-NH1 2.76Å; E126-R357 PolarHBondContact OE1-NH1 3.41Å; E126-R357 IonicContact OE1-NH2 3.34Å; E126-R357 PolarHBondContact OE1-NH2 2.94Å; E126-R357 IonicContact OE2-CZ 2.68Å; E126-R357 IonicContact OE2-NH2 3.47Å; E126-R357 PolarHBondContact OE2-NH2 2.72Å; T353-R357 HydrophobicContact CG2-CG 4.45Å; T353-R357 WeakPolarHBondContact O-CG 3.31Å; T353-R357 PolarHBondContact O-N 2.96Å; H355-R357 VanDerWaalsContact C-N 3.3Å; H355-R357 PolarHBondContact O-N 3.34Å; R357-K361 WeakPolarHBondContact O-CD 3.27Å; R357-K361 WeakPolarHBondContact O-CE 3.46Å; R357-K361 VanDerWaalsContact O-CG 3.31Å; R357-K361 WeakPolarHBondContact O-CG 3.39Å; R357-K361 PolarHBondContact O-N 2.92Å
358	E	98.2	Very high	95.7	Very high	51 Å²	51	58.3 Å²	58.3	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-74.8	-38.8	174.5	-65.1	-56.5	100.4	0	0	111.2	H355 Y356 Q360 K361 G362 R363 T365	H355-E358 PolarHBondContact O-N 3.47Å; H355-E358 VanDerWaalsContact O-N 3.1Å; Y356-E358 VanDerWaalsContact C-N 3.29Å; Y356-E358 PolarHBondContact O-N 2.82Å; E358-Q360 PolarHBondContact O-N 2.87Å; E358-K361 CarbonylContact O-C 3.6Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 2.99Å; E358-K361 VanDerWaalsContact O-N 3.09Å; E358-K361 IonicContact OE1-NZ 3.27Å; E358-K361 PolarHBondContact OE1-NZ 3.31Å; E358-G362 PolarHBondContact O-N 3.47Å; E358-R363 HydrophobicContact CB-CB 4.17Å; E358-R363 WeakPolarHBondContact O-CB 3.03Å; E358-R363 PolarHBondContact O-N 2.73Å; E358-R363 IonicContact OE1-NH1 2.88Å; E358-R363 WeakPolarHBondContact OE2-CD 3.44Å; E358-R363 IonicContact OE2-CZ 3.87Å; E358-R363 IonicContact OE2-NE 3.72Å; E358-R363 IonicContact OE2-NH1 3.49Å; E358-R363 PolarHBondContact OE2-NH1 3.26Å; E358-T365 HydrophobicContact CB-CG2 4.28Å
359	H	97.7	Very high	96.3	Very high	83 Å²	83	57.8 Å²	57.8	38%	0.384	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-44.5	172.2	175.2	79.2	0	0	0	112.3	M59 I62 H355 Y356 K361 G362 T365	M59-H359 HydrophobicContact SD-CB 3.6Å; M59-H359 VanDerWaalsContact SD-CB 3.6Å; I62-H359 WeakPolarHBondContact CD1-CD2 3.03Å; I62-H359 VanDerWaalsContact CD1-NE2 3.33Å; I62-H359 WeakPolarHBondContact CD1-NE2 3.46Å; H355-H359 PolarHBondContact O-N 3.19Å; Y356-H359 WeakPolarHBondContact O-CB 3.37Å; Y356-H359 PolarHBondContact O-N 2.84Å; H359-K361 PolarHBondContact O-N 2.77Å; H359-K361 VanDerWaalsContact O-N 3.14Å; H359-G362 WeakPolarHBondContact O-CA 3.49Å; H359-G362 PolarHBondContact O-N 3.23Å; H359-T365 HydrophobicContact CB-CG2 4.02Å
360	Q	97.4	Very high	96.8	Very high	105 Å²	105	56.6 Å²	56.6	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-26.2	175.4	-73.6	-177.4	-56.5	0	0	112.9	Y356 E358 G362	Y356-Q360 HydrophobicContact CD1-CG 4.18Å; Y356-Q360 VanDerWaalsContact CE1-CD 3.44Å; Y356-Q360 HydrophobicContact CE1-CG 3.87Å; Y356-Q360 HydrophobicContact CE2-CG 4.38Å; Y356-Q360 WeakPolarHBondContact O-CG 3.38Å; Y356-Q360 PolarHBondContact O-N 3.23Å; E358-Q360 PolarHBondContact O-N 2.87Å; Q360-G362 VanDerWaalsContact C-N 3.34Å
361	K	97.9	Very high	97.1	Very high	124 Å²	124	54.2 Å²	54.2	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	3.6	175.4	-62.3	166.8	-164.4	166.3	0	113.2	R357 E358 H359 R363	R357-K361 WeakPolarHBondContact O-CD 3.27Å; R357-K361 WeakPolarHBondContact O-CE 3.46Å; R357-K361 VanDerWaalsContact O-CG 3.31Å; R357-K361 WeakPolarHBondContact O-CG 3.39Å; R357-K361 PolarHBondContact O-N 2.92Å; E358-K361 CarbonylContact O-C 3.6Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 2.99Å; E358-K361 VanDerWaalsContact O-N 3.09Å; E358-K361 IonicContact OE1-NZ 3.27Å; E358-K361 PolarHBondContact OE1-NZ 3.31Å; H359-K361 PolarHBondContact O-N 2.77Å; H359-K361 VanDerWaalsContact O-N 3.14Å; K361-R363 HydrophobicContact CB-CG 4.2Å; K361-R363 PolarHBondContact O-N 2.89Å
362	G	96.8	Very high	97.2	Very high	70 Å²	70	53.9 Å²	53.9	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	17.5	-174	0	0	0	0	0	114.2	E358 H359 Q360	E358-G362 PolarHBondContact O-N 3.47Å; H359-G362 WeakPolarHBondContact O-CA 3.49Å; H359-G362 PolarHBondContact O-N 3.23Å; Q360-G362 VanDerWaalsContact C-N 3.34Å
363	R	96.4	Very high	97.4	Very high	138 Å²	138	51.9 Å²	51.9	52%	0.521	26%	0.255	S	S	.	.			trans	-87.9	150.7	179.1	-68.3	176.2	177.8	-179.8	-1.7	110.9	E358 K361	E358-R363 HydrophobicContact CB-CB 4.17Å; E358-R363 WeakPolarHBondContact O-CB 3.03Å; E358-R363 PolarHBondContact O-N 2.73Å; E358-R363 IonicContact OE1-NH1 2.88Å; E358-R363 WeakPolarHBondContact OE2-CD 3.44Å; E358-R363 IonicContact OE2-CZ 3.87Å; E358-R363 IonicContact OE2-NE 3.72Å; E358-R363 IonicContact OE2-NH1 3.49Å; E358-R363 PolarHBondContact OE2-NH1 3.26Å; K361-R363 HydrophobicContact CB-CG 4.2Å; K361-R363 PolarHBondContact O-N 2.89Å
364	P	93.6	Very high	97.5	Very high	96 Å²	96	50.3 Å²	50.3	62%	0.623	25%	0.245	S	C	*	.			trans	-63.3	139.6	179.4	26	-34.3	0	0	0	111.4	L428	P364-L428 HydrophobicContact CB-CD2 4.48Å
365	T	98	Very high	97.6	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.117	21%	0.214	C	C	.	.			trans	-116.8	156.5	172.9	60.6	0	0	0	0	109.9	M59 H355 E358 H359 N434 T435	M59-T365 HydrophobicContact CE-CG2 4.22Å; M59-T365 WeakPolarHBondContact CE-OG1 3.4Å; M59-T365 HydrophobicContact SD-CG2 4.34Å; H355-T365 HydrophobicContact CB-CG2 4.2Å; H355-T365 VanDerWaalsContact O-CG2 3.26Å; H355-T365 WeakPolarHBondContact O-CG2 3.38Å; E358-T365 HydrophobicContact CB-CG2 4.28Å; H359-T365 HydrophobicContact CB-CG2 4.02Å; T365-N434 CarbonylContact O-C 3.6Å; T365-N434 WeakPolarHBondContact O-CA 3.27Å; T365-N434 VanDerWaalsContact O-CB 3.24Å; T365-N434 WeakPolarHBondContact O-CB 3.4Å; T365-T435 VanDerWaalsContact C-OG1 3.24Å; T365-T435 PolarHBondContact O-N 3.42Å; T365-T435 PolarHBondContact O-OG1 3.44Å; T365-T435 VanDerWaalsContact O-OG1 3.11Å; T365-T435 PolarHBondContact OG1-OG1 2.99Å
366	S	98.1	Very high	97.7	Very high	10 Å²	10	40.2 Å²	40.2	7%	0.07	21%	0.206	C	C	.	.			trans	-136	72.7	171.7	-173.9	0	0	0	0	107.7	H355 T413 K414 V433 T435	H355-S366 PolarHBondContact CE1-O 2.96Å; S366-T413 WeakPolarHBondContact OG-CA 3.5Å; S366-T413 WeakPolarHBondContact OG-CB 3.28Å; S366-K414 PolarHBondContact OG-N 3.17Å; S366-V433 WeakPolarHBondContact CB-O 3.44Å; S366-V433 PolarHBondContact OG-O 3.38Å; S366-T435 WeakPolarHBondContact CA-OG1 3.32Å; S366-T435 PolarHBondContact N-OG1 2.99Å
367	T	98.2	Very high	97.7	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.025	20%	0.195	C	C	.	.			trans	-91.7	126.9	178.7	-53.5	0	0	0	0	108.6	I63 V352 H355 P369 T435	I63-T367 HydrophobicContact CD1-CG2 3.53Å; V352-T367 HydrophobicContact CB-CG2 4.28Å; V352-T367 HydrophobicContact CG1-CG2 4.15Å; V352-T367 HydrophobicContact CG2-CG2 4Å; H355-T367 PolarHBondContact ND1-OG1 3.02Å; T367-P369 WeakPolarHBondContact O-CD 3.4Å; T367-T435 PolarHBondContact N-OG1 2.9Å
368	N	97.8	Very high	97.7	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.053	20%	0.195	C	C	.	.			trans	-71.1	118.7	178.4	-170.7	-20.2	0	0	0	111	I370 T413 D415	N368-I370 VanDerWaalsContact OD1-CB 3.31Å; N368-I370 WeakPolarHBondContact OD1-CB 3.24Å; N368-I370 WeakPolarHBondContact OD1-CD1 3.29Å; N368-I370 WeakPolarHBondContact OD1-CG1 3.5Å; N368-I370 PolarHBondContact OD1-N 3Å; N368-T413 WeakPolarHBondContact CB-OG1 3.3Å; N368-D415 WeakPolarHBondContact CB-OD2 3.5Å; N368-D415 PolarHBondContact ND2-OD2 3.36Å
369	P	98.2	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.			trans	-92.2	-2.5	-178.8	38.2	-36.8	0	0	0	113.8	I63 T367 A371 S372 I373 F438 L439	I63-P369 HydrophobicContact CG2-CB 3.48Å; I63-P369 VanDerWaalsContact CG2-CB 3.48Å; T367-P369 WeakPolarHBondContact O-CD 3.4Å; P369-A371 PolarHBondContact O-N 3.23Å; P369-S372 WeakPolarHBondContact O-CB 3.25Å; P369-S372 PolarHBondContact O-N 2.88Å; P369-S372 VanDerWaalsContact O-N 3.12Å; P369-I373 HydrophobicContact CB-CD1 4.33Å; P369-I373 HydrophobicContact CG-CD1 4.25Å; P369-I373 WeakPolarHBondContact O-CG1 3.16Å; P369-I373 PolarHBondContact O-N 2.91Å; P369-F438 VanDerWaalsContact CD-CD1 3.41Å; P369-F438 HydrophobicContact CG-CD1 3.52Å; P369-F438 HydrophobicContact CG-CE1 3.69Å; P369-L439 HydrophobicContact CB-CD2 3.67Å; P369-L439 HydrophobicContact CB-CG 4.28Å; P369-L439 HydrophobicContact CG-CD2 3.66Å; P369-L439 HydrophobicContact CG-CG 4.07Å
370	I	98.4	Very high	97.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-47.8	-167.2	-65.8	170.2	0	0	0	111.3	I153 L330 N368 S372 I373 F374 C403 V407 L416 F438	I153-I370 HydrophobicContact CD1-CG2 3.65Å; I153-I370 HydrophobicContact CG2-CG2 4.44Å; L330-I370 HydrophobicContact CD2-CB 4.35Å; L330-I370 HydrophobicContact CD2-CD1 3.77Å; L330-I370 HydrophobicContact CD2-CG2 4.11Å; N368-I370 VanDerWaalsContact OD1-CB 3.31Å; N368-I370 WeakPolarHBondContact OD1-CB 3.24Å; N368-I370 WeakPolarHBondContact OD1-CD1 3.29Å; N368-I370 WeakPolarHBondContact OD1-CG1 3.5Å; N368-I370 PolarHBondContact OD1-N 3Å; I370-S372 VanDerWaalsContact C-N 3.28Å; I370-S372 PolarHBondContact O-N 2.88Å; I370-I373 WeakPolarHBondContact O-CB 3.27Å; I370-I373 PolarHBondContact O-N 3.02Å; I370-I373 VanDerWaalsContact O-N 3.09Å; I370-F374 HydrophobicContact CG2-CD2 3.73Å; I370-F374 HydrophobicContact CG2-CE2 3.66Å; I370-F374 VanDerWaalsContact O-CD2 3.27Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 3.38Å; I370-C403 HydrophobicContact CG1-CB 4.38Å; I370-C403 HydrophobicContact CG2-CB 4.26Å; I370-V407 HydrophobicContact CD1-CG2 3.65Å; I370-L416 HydrophobicContact CD1-CD1 4.28Å; I370-F438 HydrophobicContact CD1-CE1 4.23Å; I370-F438 HydrophobicContact CD1-CZ 4.01Å; I370-F438 HydrophobicContact CG1-CE1 3.97Å; I370-F438 HydrophobicContact CG1-CZ 4.22Å
371	A	96.5	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-39	176.6	0	0	0	0	0	112.8	G329 M331 A347 P369 F374 A375	G329-A371 WeakPolarHBondContact O-CB 3.34Å; G329-A371 PolarHBondContact O-N 2.91Å; M331-A371 WeakPolarHBondContact O-CB 3.39Å; A347-A371 HydrophobicContact CB-CB 3.79Å; P369-A371 PolarHBondContact O-N 3.23Å; A371-F374 PolarHBondContact O-N 2.88Å; A371-A375 PolarHBondContact O-N 2.91Å
372	S	98.3	Very high	97.9	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-67.4	-37.5	175	-59.5	0	0	0	0	112.5	P369 I370 F374 A375 W376	P369-S372 WeakPolarHBondContact O-CB 3.25Å; P369-S372 PolarHBondContact O-N 2.88Å; P369-S372 VanDerWaalsContact O-N 3.12Å; I370-S372 VanDerWaalsContact C-N 3.28Å; I370-S372 PolarHBondContact O-N 2.88Å; S372-F374 VanDerWaalsContact C-N 3.33Å; S372-A375 WeakPolarHBondContact O-CB 3.28Å; S372-A375 PolarHBondContact O-N 2.92Å; S372-W376 PolarHBondContact O-N 2.69Å
373	I	98.8	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-43	172.4	-66.7	165.5	0	0	0	109.8	I67 L71 P369 I370 A375 W376 T377 L399 I442	I67-I373 HydrophobicContact CD1-CB 4.5Å; I67-I373 HydrophobicContact CD1-CG1 3.62Å; I67-I373 HydrophobicContact CG1-CG1 3.75Å; I67-I373 HydrophobicContact CG2-CG1 4.41Å; L71-I373 HydrophobicContact CD1-CD1 4.08Å; L71-I373 HydrophobicContact CD1-CG1 4.19Å; P369-I373 HydrophobicContact CB-CD1 4.33Å; P369-I373 HydrophobicContact CG-CD1 4.25Å; P369-I373 WeakPolarHBondContact O-CG1 3.16Å; P369-I373 PolarHBondContact O-N 2.91Å; I370-I373 WeakPolarHBondContact O-CB 3.27Å; I370-I373 PolarHBondContact O-N 3.02Å; I370-I373 VanDerWaalsContact O-N 3.09Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.82Å; I373-W376 WeakPolarHBondContact O-CB 3.43Å; I373-W376 PolarHBondContact O-N 3.04Å; I373-W376 VanDerWaalsContact O-N 3.15Å; I373-T377 HydrophobicContact CG2-CG2 4.31Å; I373-T377 PolarHBondContact O-N 2.89Å; I373-L399 HydrophobicContact CG2-CD1 4.1Å; I373-L399 HydrophobicContact CG2-CD2 3.84Å; I373-L399 HydrophobicContact CG2-CG 3.7Å; I373-I442 HydrophobicContact CD1-CG2 4.25Å
374	F	98.6	Very high	98.1	Very high	9 Å²	9	13.2 Å²	13.2	4%	0.039	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-30.2	179.9	-86.3	-119.4	0	0	0	112.7	I153 T332 I370 A371 S372 W376 T377 R378 E400 C403	I153-F374 HydrophobicContact CD1-CB 4.04Å; I153-F374 HydrophobicContact CD1-CD1 3.52Å; I153-F374 HydrophobicContact CD1-CD2 3.71Å; I153-F374 HydrophobicContact CD1-CE1 3.77Å; I153-F374 HydrophobicContact CD1-CE2 3.95Å; I153-F374 HydrophobicContact CD1-CG 3.47Å; I153-F374 VanDerWaalsContact CD1-CG 3.47Å; I153-F374 HydrophobicContact CD1-CZ 3.97Å; I153-F374 HydrophobicContact CG1-CD1 3.89Å; I153-F374 HydrophobicContact CG1-CE1 3.83Å; I153-F374 HydrophobicContact CG1-CG 4.35Å; I153-F374 HydrophobicContact CG1-CZ 4.25Å; I153-F374 HydrophobicContact CG2-CE1 4.03Å; I153-F374 HydrophobicContact CG2-CE2 4.32Å; I153-F374 HydrophobicContact CG2-CZ 3.72Å; T332-F374 HydrophobicContact CG2-CB 3.71Å; T332-F374 HydrophobicContact CG2-CD1 3.7Å; T332-F374 HydrophobicContact CG2-CG 4.08Å; I370-F374 HydrophobicContact CG2-CD2 3.73Å; I370-F374 HydrophobicContact CG2-CE2 3.66Å; I370-F374 VanDerWaalsContact O-CD2 3.27Å; I370-F374 WeakPolarHBondContact O-CD2 3.31Å; I370-F374 PolarHBondContact O-N 3.38Å; A371-F374 PolarHBondContact O-N 2.88Å; S372-F374 VanDerWaalsContact C-N 3.33Å; F374-W376 VanDerWaalsContact C-N 3.32Å; F374-W376 PolarHBondContact O-N 2.74Å; F374-T377 VanDerWaalsContact CA-OG1 3.29Å; F374-T377 WeakPolarHBondContact CA-OG1 3.25Å; F374-T377 PolarHBondContact O-N 3.03Å; F374-T377 PolarHBondContact O-OG1 3.02Å; F374-R378 VanDerWaalsContact O-CB 3.25Å; F374-R378 WeakPolarHBondContact O-CB 3.16Å; F374-R378 WeakPolarHBondContact O-CG 3.3Å; F374-R378 PolarHBondContact O-N 3.46Å; F374-E400 HydrophobicContact CD1-CG 3.86Å; F374-E400 HydrophobicContact CD2-CG 4.18Å; F374-E400 HydrophobicContact CE1-CB 3.83Å; F374-E400 HydrophobicContact CE1-CG 3.56Å; F374-E400 HydrophobicContact CE2-CB 4.01Å; F374-E400 HydrophobicContact CE2-CG 3.91Å; F374-E400 HydrophobicContact CG-CG 4.18Å; F374-E400 HydrophobicContact CZ-CB 3.5Å; F374-E400 HydrophobicContact CZ-CG 3.61Å; F374-C403 HydrophobicContact CE2-CB 3.91Å
375	A	98.3	Very high	98.2	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.025	7%	0.065	C	C	.	.	H	α-helix	trans	-57.7	-47	170	0	0	0	0	0	111	W64 V112 A345 A371 S372 I373 G379	W64-A375 HydrophobicContact CH2-CB 4.39Å; W64-A375 HydrophobicContact CZ3-CB 4.27Å; V112-A375 WeakPolarHBondContact CG1-O 3.38Å; A345-A375 WeakPolarHBondContact CB-O 3.4Å; A371-A375 PolarHBondContact O-N 2.91Å; S372-A375 WeakPolarHBondContact O-CB 3.28Å; S372-A375 PolarHBondContact O-N 2.92Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.82Å; A375-G379 PolarHBondContact O-N 2.98Å; A375-G379 VanDerWaalsContact O-N 3.12Å
376	W	98.8	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-50.8	174.4	-83.5	94.8	0	0	0	112.7	E53 W64 I67 K68 I72 L80 V112 S372 I373 F374 R378 G379 L380	E53-W376 HydrophobicContact CG-CH2 4.08Å; E53-W376 HydrophobicContact CG-CZ2 4.08Å; W64-W376 AromaticContact CD2-NE1 3.41Å; W64-W376 AromaticContact CE2-CE2 3.7Å; W64-W376 AromaticContact CE2-CZ2 3.72Å; W64-W376 AromaticContact CE2-NE1 3.24Å; W64-W376 AromaticContact CE3-CD1 3.85Å; W64-W376 AromaticContact CE3-NE1 3.43Å; W64-W376 AromaticContact CH2-CD1 3.47Å; W64-W376 VanDerWaalsContact CH2-CD1 3.47Å; W64-W376 HydrophobicContact CH2-CD2 4.47Å; W64-W376 AromaticContact CH2-CE2 3.86Å; W64-W376 HydrophobicContact CH2-CG 4.27Å; W64-W376 AromaticContact CH2-NE1 3.19Å; W64-W376 AromaticContact CZ2-CD1 3.92Å; W64-W376 HydrophobicContact CZ2-CD2 4.4Å; W64-W376 AromaticContact CZ2-CE2 3.48Å; W64-W376 VanDerWaalsContact CZ2-CE2 3.48Å; W64-W376 AromaticContact CZ2-CZ2 3.7Å; W64-W376 HydrophobicContact CZ2-CZ2 3.7Å; W64-W376 AromaticContact CZ2-NE1 3.14Å; W64-W376 AromaticContact CZ3-CD1 3.42Å; W64-W376 VanDerWaalsContact CZ3-CD1 3.42Å; W64-W376 AromaticContact CZ3-NE1 3.32Å; W64-W376 VanDerWaalsContact CZ3-NE1 3.32Å; W64-W376 AromaticContact NE1-CZ2 3.73Å; W64-W376 AromaticContact NE1-NE1 3.99Å; I67-W376 HydrophobicContact CG2-CB 4.42Å; I67-W376 VanDerWaalsContact CG2-CD1 3.44Å; I67-W376 HydrophobicContact CG2-CG 3.91Å; K68-W376 HydrophobicContact CB-CZ2 4.07Å; K68-W376 HydrophobicContact CG-CH2 4.37Å; K68-W376 HydrophobicContact CG-CZ2 4.32Å; I72-W376 HydrophobicContact CB-CE3 4.46Å; I72-W376 HydrophobicContact CD1-CB 4.1Å; I72-W376 HydrophobicContact CD1-CE3 4.48Å; I72-W376 HydrophobicContact CD1-CG 4.41Å; I72-W376 HydrophobicContact CG1-CB 4.39Å; I72-W376 HydrophobicContact CG1-CD2 3.93Å; I72-W376 HydrophobicContact CG1-CE3 3.89Å; I72-W376 HydrophobicContact CG1-CG 4.17Å; I72-W376 HydrophobicContact CG2-CE3 4.05Å; I72-W376 HydrophobicContact CG2-CZ3 4.08Å; L80-W376 HydrophobicContact CD1-CH2 3.87Å; L80-W376 HydrophobicContact CD1-CZ3 4.32Å; L80-W376 HydrophobicContact CD2-CH2 4.04Å; L80-W376 HydrophobicContact CD2-CZ3 3.9Å; V112-W376 HydrophobicContact CG2-CD2 4.11Å; V112-W376 HydrophobicContact CG2-CE3 3.96Å; V112-W376 HydrophobicContact CG2-CH2 4.04Å; V112-W376 HydrophobicContact CG2-CZ2 4.18Å; V112-W376 HydrophobicContact CG2-CZ3 3.93Å; S372-W376 PolarHBondContact O-N 2.69Å; I373-W376 WeakPolarHBondContact O-CB 3.43Å; I373-W376 PolarHBondContact O-N 3.04Å; I373-W376 VanDerWaalsContact O-N 3.15Å; F374-W376 VanDerWaalsContact C-N 3.32Å; F374-W376 PolarHBondContact O-N 2.74Å; W376-R378 VanDerWaalsContact C-N 3.34Å; W376-R378 PolarHBondContact O-N 2.99Å; W376-G379 PolarHBondContact O-N 3.44Å; W376-L380 WeakPolarHBondContact O-CB 3.49Å; W376-L380 WeakPolarHBondContact O-CG 3.37Å; W376-L380 PolarHBondContact O-N 3.35Å
377	T	98.8	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-38	-176.3	57.6	0	0	0	0	111.7	I373 F374 L380 E381 S396 L399 E400	I373-T377 HydrophobicContact CG2-CG2 4.31Å; I373-T377 PolarHBondContact O-N 2.89Å; F374-T377 VanDerWaalsContact CA-OG1 3.29Å; F374-T377 WeakPolarHBondContact CA-OG1 3.25Å; F374-T377 PolarHBondContact O-N 3.03Å; F374-T377 PolarHBondContact O-OG1 3.02Å; T377-L380 PolarHBondContact O-N 2.81Å; T377-E381 WeakPolarHBondContact O-CB 3.47Å; T377-E381 PolarHBondContact O-N 3.48Å; T377-S396 WeakPolarHBondContact O-CB 3.37Å; T377-S396 PolarHBondContact O-OG 2.95Å; T377-L399 HydrophobicContact CG2-CB 3.88Å; T377-L399 HydrophobicContact CG2-CD2 3.72Å; T377-L399 HydrophobicContact CG2-CG 3.82Å; T377-E400 WeakPolarHBondContact CB-OE1 3.35Å; T377-E400 HydrophobicContact CG2-CG 3.98Å; T377-E400 WeakPolarHBondContact OG1-CG 3.47Å; T377-E400 PolarHBondContact OG1-OE1 3.09Å
378	R	98.1	Very high	98.2	Very high	60 Å²	60	20.1 Å²	20.1	23%	0.226	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-40.4	177.2	-66.7	-70	150	132	-4.3	112.2	V334 A345 F374 W376 H382 E400	V334-R378 HydrophobicContact CG2-CB 4.3Å; V334-R378 HydrophobicContact CG2-CG 4.5Å; A345-R378 HydrophobicContact CB-CB 4.17Å; F374-R378 VanDerWaalsContact O-CB 3.25Å; F374-R378 WeakPolarHBondContact O-CB 3.16Å; F374-R378 WeakPolarHBondContact O-CG 3.3Å; F374-R378 PolarHBondContact O-N 3.46Å; W376-R378 VanDerWaalsContact C-N 3.34Å; W376-R378 PolarHBondContact O-N 2.99Å; R378-H382 WeakPolarHBondContact O-CB 3.11Å; R378-H382 PolarHBondContact O-N 2.87Å; R378-H382 VanDerWaalsContact O-N 3.1Å; R378-E400 IonicContact CZ-OE1 2.84Å; R378-E400 IonicContact CZ-OE2 3.81Å; R378-E400 IonicContact NE-OE1 2.76Å; R378-E400 PolarHBondContact NE-OE1 3.11Å; R378-E400 IonicContact NE-OE2 3.04Å; R378-E400 VanDerWaalsContact NH2-CD 3.33Å; R378-E400 IonicContact NH2-OE1 3.73Å; R378-E400 PolarHBondContact NH2-OE1 3.13Å; R378-E400 IonicContact NH2-OE2 2.69Å; R378-E400 PolarHBondContact NH2-OE2 3.41Å
379	G	98.4	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-50.7	171.5	0	0	0	0	0	112.3	V110 A375 W376 H382 R383	V110-G379 VanDerWaalsContact CG1-O 3.25Å; V110-G379 WeakPolarHBondContact CG1-O 3.46Å; A375-G379 PolarHBondContact O-N 2.98Å; A375-G379 VanDerWaalsContact O-N 3.12Å; W376-G379 PolarHBondContact O-N 3.44Å; G379-H382 PolarHBondContact O-N 2.82Å; G379-R383 WeakPolarHBondContact O-CB 3.48Å; G379-R383 PolarHBondContact O-N 2.86Å
380	L	98.8	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-39.5	-179.2	-69	177	0	0	0	112.9	V51 I72 W376 T377 H382 R383 G384 L392 F395 S396	V51-L380 HydrophobicContact CG2-CD2 4.28Å; I72-L380 HydrophobicContact CD1-CD1 4.02Å; I72-L380 HydrophobicContact CG2-CD1 3.97Å; W376-L380 WeakPolarHBondContact O-CB 3.49Å; W376-L380 WeakPolarHBondContact O-CG 3.37Å; W376-L380 PolarHBondContact O-N 3.35Å; T377-L380 PolarHBondContact O-N 2.81Å; L380-H382 VanDerWaalsContact C-N 3.32Å; L380-H382 PolarHBondContact O-N 2.87Å; L380-R383 WeakPolarHBondContact O-CB 3.4Å; L380-R383 PolarHBondContact O-N 2.66Å; L380-G384 PolarHBondContact O-N 2.94Å; L380-L392 HydrophobicContact CB-CD1 4.08Å; L380-L392 HydrophobicContact CB-CD2 4.47Å; L380-L392 HydrophobicContact CB-CG 4.25Å; L380-L392 HydrophobicContact CD1-CD1 4.47Å; L380-L392 HydrophobicContact CD2-CD1 4.26Å; L380-L392 HydrophobicContact CG-CD1 4.5Å; L380-L392 VanDerWaalsContact O-CD2 3.22Å; L380-L392 WeakPolarHBondContact O-CD2 3.28Å; L380-L392 WeakPolarHBondContact O-CG 3.34Å; L380-F395 HydrophobicContact CD1-CE1 4.17Å; L380-S396 WeakPolarHBondContact CB-OG 3.37Å
381	E	98.5	Very high	98.2	Very high	22 Å²	22	29.9 Å²	29.9	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-43.1	176.6	-165.9	-164.3	154.8	0	0	110.2	T377 G384 K385 I393 S396	T377-E381 WeakPolarHBondContact O-CB 3.47Å; T377-E381 PolarHBondContact O-N 3.48Å; E381-G384 PolarHBondContact O-N 3.25Å; E381-K385 WeakPolarHBondContact O-CG 3.38Å; E381-K385 PolarHBondContact O-N 3.06Å; E381-K385 WeakPolarHBondContact OE1-CE 3.49Å; E381-K385 IonicContact OE1-NZ 3.78Å; E381-K385 PolarHBondContact OE1-NZ 2.76Å; E381-I393 HydrophobicContact CG-CB 4.43Å; E381-I393 HydrophobicContact CG-CG1 4.34Å; E381-I393 HydrophobicContact CG-CG2 4.04Å; E381-S396 PolarHBondContact N-OG 3.35Å
382	H	97.9	Very high	98.3	Very high	31 Å²	31	29.9 Å²	29.9	14%	0.144	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-40.9	176.3	-168.1	71.1	0	0	0	112.4	K341 I343 R378 G379 L380 G384 K385 L386	K341-H382 PolarHBondContact O-NE2 2.75Å; I343-H382 HydrophobicContact CD1-CB 3.36Å; I343-H382 HydrophobicContact CG1-CB 4.22Å; R378-H382 WeakPolarHBondContact O-CB 3.11Å; R378-H382 PolarHBondContact O-N 2.87Å; R378-H382 VanDerWaalsContact O-N 3.1Å; G379-H382 PolarHBondContact O-N 2.82Å; L380-H382 VanDerWaalsContact C-N 3.32Å; L380-H382 PolarHBondContact O-N 2.87Å; H382-G384 PolarHBondContact O-N 3.5Å; H382-K385 WeakPolarHBondContact O-CB 3.25Å; H382-K385 PolarHBondContact O-N 3.12Å; H382-K385 VanDerWaalsContact O-N 3.14Å; H382-L386 WeakPolarHBondContact O-CG 3.25Å; H382-L386 PolarHBondContact O-N 2.86Å
383	R	98.7	Very high	98.3	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.038	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-43.1	170.3	-179.4	68.8	-80.6	163.7	-5.1	111	V47 N49 V51 Y108 V110 G379 L380 L386 D387 L392	V47-R383 HydrophobicContact CG1-CG 3.72Å; N49-R383 VanDerWaalsContact CB-CZ 3.49Å; N49-R383 WeakPolarHBondContact O-CD 3.5Å; V51-R383 HydrophobicContact CG2-CB 4.04Å; V51-R383 HydrophobicContact CG2-CG 3.89Å; Y108-R383 PolarHBondContact O-NH1 3.2Å; V110-R383 HydrophobicContact CG2-CB 4.24Å; G379-R383 WeakPolarHBondContact O-CB 3.48Å; G379-R383 PolarHBondContact O-N 2.86Å; L380-R383 WeakPolarHBondContact O-CB 3.4Å; L380-R383 PolarHBondContact O-N 2.66Å; R383-L386 PolarHBondContact O-N 3.42Å; R383-D387 IonicContact CZ-OD1 3.31Å; R383-D387 VanDerWaalsContact NE-CG 3.31Å; R383-D387 IonicContact NE-OD1 2.84Å; R383-D387 PolarHBondContact NE-OD1 2.79Å; R383-D387 IonicContact NE-OD2 3.06Å; R383-D387 PolarHBondContact NE-OD2 2.69Å; R383-D387 IonicContact NH2-OD1 3.56Å; R383-D387 PolarHBondContact NH2-OD1 2.98Å; R383-D387 WeakPolarHBondContact O-CB 3.36Å; R383-D387 VanDerWaalsContact O-CG 3.31Å; R383-D387 PolarHBondContact O-N 3.48Å; R383-L392 HydrophobicContact CB-CD2 4.19Å; R383-L392 HydrophobicContact CG-CD2 4.13Å
384	G	98.4	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-40.1	176.4	0	0	0	0	0	112.6	L380 E381 H382 D387 G388 N389	L380-G384 PolarHBondContact O-N 2.94Å; E381-G384 PolarHBondContact O-N 3.25Å; H382-G384 PolarHBondContact O-N 3.5Å; G384-D387 PolarHBondContact O-N 3.44Å; G384-G388 CarbonylContact O-C 3.55Å; G384-G388 WeakPolarHBondContact O-CA 3.28Å; G384-G388 PolarHBondContact O-N 3.27Å; G384-N389 PolarHBondContact O-N 3.48Å
385	K	97.3	Very high	98.3	Very high	115 Å²	115	37.8 Å²	37.8	50%	0.5	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-46.9	173.3	-71.6	168.7	-174.4	162.7	0	111.8	E381 H382 D387 G388 I393	E381-K385 WeakPolarHBondContact O-CG 3.38Å; E381-K385 PolarHBondContact O-N 3.06Å; E381-K385 WeakPolarHBondContact OE1-CE 3.49Å; E381-K385 IonicContact OE1-NZ 3.78Å; E381-K385 PolarHBondContact OE1-NZ 2.76Å; H382-K385 WeakPolarHBondContact O-CB 3.25Å; H382-K385 PolarHBondContact O-N 3.12Å; H382-K385 VanDerWaalsContact O-N 3.14Å; K385-D387 VanDerWaalsContact C-N 3.3Å; K385-D387 PolarHBondContact O-N 3.33Å; K385-G388 PolarHBondContact O-N 3.1Å; K385-I393 HydrophobicContact CG-CD1 3.97Å; K385-I393 HydrophobicContact CG-CG1 4.46Å
386	L	97.5	Very high	98.4	Very high	58 Å²	58	37.6 Å²	37.6	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-31.4	179.5	-66.1	-177.2	0	0	0	113	N109 V110 K341 H382 R383	N109-L386 HydrophobicContact CB-CD1 3.95Å; V110-L386 HydrophobicContact CG2-CD1 4.01Å; K341-L386 HydrophobicContact CG-CD1 4.08Å; K341-L386 HydrophobicContact CG-CD2 3.7Å; H382-L386 WeakPolarHBondContact O-CG 3.25Å; H382-L386 PolarHBondContact O-N 2.86Å; R383-L386 PolarHBondContact O-N 3.42Å
387	D	98	Very high	98.3	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-90.6	-9	-179.9	-70.4	-2.7	0	0	0	113.4	N49 R383 G384 K385 N389	N49-D387 PolarHBondContact N-OD2 2.82Å; N49-D387 PolarHBondContact ND2-OD1 3.25Å; R383-D387 IonicContact CZ-OD1 3.31Å; R383-D387 VanDerWaalsContact NE-CG 3.31Å; R383-D387 IonicContact NE-OD1 2.84Å; R383-D387 PolarHBondContact NE-OD1 2.79Å; R383-D387 IonicContact NE-OD2 3.06Å; R383-D387 PolarHBondContact NE-OD2 2.69Å; R383-D387 IonicContact NH2-OD1 3.56Å; R383-D387 PolarHBondContact NH2-OD1 2.98Å; R383-D387 WeakPolarHBondContact O-CB 3.36Å; R383-D387 VanDerWaalsContact O-CG 3.31Å; R383-D387 PolarHBondContact O-N 3.48Å; G384-D387 PolarHBondContact O-N 3.44Å; K385-D387 VanDerWaalsContact C-N 3.3Å; K385-D387 PolarHBondContact O-N 3.33Å; D387-N389 VanDerWaalsContact C-N 3.29Å; D387-N389 HydrophobicContact CB-CB 4.2Å
388	G	98.1	Very high	98.3	Very high	62 Å²	62	43.1 Å²	43.1	64%	0.639	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	34.9	-169.6	0	0	0	0	0	112.9	G384 K385 P390	G384-G388 CarbonylContact O-C 3.55Å; G384-G388 WeakPolarHBondContact O-CA 3.28Å; G384-G388 PolarHBondContact O-N 3.27Å; K385-G388 PolarHBondContact O-N 3.1Å; G388-P390 WeakPolarHBondContact O-CD 3.45Å
389	N	98.5	Very high	98.4	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.134	22%	0.217	C	C	.	.			trans	-101.7	92.8	-177	-173	-21.6	0	0	0	111.3	K46 G384 D387 D391 L392 I393	K46-N389 PolarHBondContact O-ND2 3.09Å; G384-N389 PolarHBondContact O-N 3.48Å; D387-N389 VanDerWaalsContact C-N 3.29Å; D387-N389 HydrophobicContact CB-CB 4.2Å; N389-D391 VanDerWaalsContact C-N 3.3Å; N389-D391 PolarHBondContact O-N 3.1Å; N389-D391 PolarHBondContact OD1-N 2.83Å; N389-L392 HydrophobicContact CB-CB 4.19Å; N389-L392 PolarHBondContact O-N 3.01Å; N389-L392 PolarHBondContact OD1-N 3.3Å; N389-L392 VanDerWaalsContact OD1-N 3.07Å; N389-I393 WeakPolarHBondContact O-CG1 3.29Å; N389-I393 PolarHBondContact O-N 3.44Å
390	P	98.3	Very high	98.4	Very high	90 Å²	90	41.2 Å²	41.2	58%	0.584	22%	0.221	S	C	*	.	H	α-helix	trans	-67.9	-27.2	-177.9	28.1	-36.2	0	0	0	113.4	G388 I393 K394	G388-P390 WeakPolarHBondContact O-CD 3.45Å; P390-I393 PolarHBondContact O-N 2.94Å; P390-K394 VanDerWaalsContact O-CB 3.29Å; P390-K394 WeakPolarHBondContact O-CB 3.45Å; P390-K394 PolarHBondContact O-N 3.26Å
391	D	98.3	Very high	98.4	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-69.1	-40.3	179	-70.1	-25.7	0	0	0	111	I45 N389 K394 F395	I45-D391 HydrophobicContact CG1-CB 4.4Å; I45-D391 HydrophobicContact CG2-CB 4.04Å; N389-D391 VanDerWaalsContact C-N 3.3Å; N389-D391 PolarHBondContact O-N 3.1Å; N389-D391 PolarHBondContact OD1-N 2.83Å; D391-K394 PolarHBondContact O-N 3.12Å; D391-F395 WeakPolarHBondContact O-CB 3.3Å; D391-F395 PolarHBondContact O-N 3.3Å
392	L	98.6	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-44.2	174.6	-172.4	61.4	0	0	0	111.4	I45 V47 V76 L380 R383 N389 K394 F395 S396	I45-L392 HydrophobicContact CG2-CB 4.2Å; I45-L392 HydrophobicContact CG2-CD1 4.49Å; V47-L392 HydrophobicContact CG1-CD2 3.94Å; V47-L392 HydrophobicContact CG2-CD1 4.05Å; V47-L392 HydrophobicContact CG2-CD2 3.82Å; V47-L392 HydrophobicContact CG2-CG 4.49Å; V76-L392 HydrophobicContact CG1-CD1 3.77Å; V76-L392 HydrophobicContact CG2-CD1 4.15Å; L380-L392 HydrophobicContact CB-CD1 4.08Å; L380-L392 HydrophobicContact CB-CD2 4.47Å; L380-L392 HydrophobicContact CB-CG 4.25Å; L380-L392 HydrophobicContact CD1-CD1 4.47Å; L380-L392 HydrophobicContact CD2-CD1 4.26Å; L380-L392 HydrophobicContact CG-CD1 4.5Å; L380-L392 VanDerWaalsContact O-CD2 3.22Å; L380-L392 WeakPolarHBondContact O-CD2 3.28Å; L380-L392 WeakPolarHBondContact O-CG 3.34Å; R383-L392 HydrophobicContact CB-CD2 4.19Å; R383-L392 HydrophobicContact CG-CD2 4.13Å; N389-L392 HydrophobicContact CB-CB 4.19Å; N389-L392 PolarHBondContact O-N 3.01Å; N389-L392 PolarHBondContact OD1-N 3.3Å; N389-L392 VanDerWaalsContact OD1-N 3.07Å; L392-K394 VanDerWaalsContact C-N 3.35Å; L392-K394 PolarHBondContact O-N 3.09Å; L392-F395 PolarHBondContact O-N 2.69Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.18Å; L392-S396 VanDerWaalsContact O-OG 3.12Å
393	I	98.6	Very high	98.4	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-48.6	175.1	-66	169.2	0	0	0	110.3	E381 K385 N389 P390 F395 S396 Q397	E381-I393 HydrophobicContact CG-CB 4.43Å; E381-I393 HydrophobicContact CG-CG1 4.34Å; E381-I393 HydrophobicContact CG-CG2 4.04Å; K385-I393 HydrophobicContact CG-CD1 3.97Å; K385-I393 HydrophobicContact CG-CG1 4.46Å; N389-I393 WeakPolarHBondContact O-CG1 3.29Å; N389-I393 PolarHBondContact O-N 3.44Å; P390-I393 PolarHBondContact O-N 2.94Å; I393-F395 VanDerWaalsContact C-N 3.34Å; I393-F395 PolarHBondContact O-N 2.84Å; I393-S396 PolarHBondContact O-N 2.61Å; I393-Q397 WeakPolarHBondContact O-CG 3.37Å; I393-Q397 PolarHBondContact O-N 3.49Å
394	K	98.5	Very high	98.4	Very high	137 Å²	137	44.8 Å²	44.8	60%	0.596	24%	0.236	S	C	*	.	H	α-helix	trans	-63.5	-38.9	-180	-175.7	179.4	179.4	-176.7	0	112	P390 D391 L392 T398	P390-K394 VanDerWaalsContact O-CB 3.29Å; P390-K394 WeakPolarHBondContact O-CB 3.45Å; P390-K394 PolarHBondContact O-N 3.26Å; D391-K394 PolarHBondContact O-N 3.12Å; L392-K394 VanDerWaalsContact C-N 3.35Å; L392-K394 PolarHBondContact O-N 3.09Å; K394-T398 VanDerWaalsContact O-CB 3.27Å; K394-T398 WeakPolarHBondContact O-CB 3.16Å; K394-T398 PolarHBondContact O-N 2.87Å; K394-T398 PolarHBondContact O-OG1 3.13Å
395	F	98.7	Very high	98.4	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-48.7	174.8	168.2	-97.9	0	0	0	111.6	I45 L71 I72 N75 V76 L380 D391 L392 I393 Q397 T398 L399 L446 L450	I45-F395 HydrophobicContact CD1-CB 3.43Å; I45-F395 VanDerWaalsContact CD1-CB 3.43Å; I45-F395 HydrophobicContact CD1-CD2 4.28Å; I45-F395 HydrophobicContact CD1-CG 3.91Å; L71-F395 WeakPolarHBondContact O-CZ 3.42Å; I72-F395 HydrophobicContact CD1-CE1 4.13Å; I72-F395 HydrophobicContact CD1-CZ 4.3Å; N75-F395 HydrophobicContact CB-CD2 4.11Å; N75-F395 HydrophobicContact CB-CE2 3.41Å; N75-F395 VanDerWaalsContact CB-CE2 3.41Å; N75-F395 HydrophobicContact CB-CZ 3.83Å; V76-F395 HydrophobicContact CG2-CD1 3.59Å; V76-F395 HydrophobicContact CG2-CE1 3.48Å; V76-F395 VanDerWaalsContact CG2-CE1 3.48Å; V76-F395 HydrophobicContact CG2-CE2 4.44Å; V76-F395 HydrophobicContact CG2-CG 4.13Å; V76-F395 HydrophobicContact CG2-CZ 3.94Å; L380-F395 HydrophobicContact CD1-CE1 4.17Å; D391-F395 WeakPolarHBondContact O-CB 3.3Å; D391-F395 PolarHBondContact O-N 3.3Å; L392-F395 PolarHBondContact O-N 2.69Å; I393-F395 VanDerWaalsContact C-N 3.34Å; I393-F395 PolarHBondContact O-N 2.84Å; F395-Q397 PolarHBondContact O-N 2.99Å; F395-T398 WeakPolarHBondContact O-CB 3.35Å; F395-T398 PolarHBondContact O-N 2.75Å; F395-T398 VanDerWaalsContact O-N 3.12Å; F395-L399 HydrophobicContact CZ-CD2 4.26Å; F395-L399 PolarHBondContact O-N 3.31Å; F395-L446 HydrophobicContact CE2-CD1 4.42Å; F395-L446 HydrophobicContact CE2-CD2 4.39Å; F395-L450 HydrophobicContact CD2-CD1 4.22Å; F395-L450 HydrophobicContact CE2-CD1 4.1Å
396	S	98.6	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-48.7	177.4	-61.3	0	0	0	0	111.5	T377 L380 E381 L392 I393 T398 L399 E400	T377-S396 WeakPolarHBondContact O-CB 3.37Å; T377-S396 PolarHBondContact O-OG 2.95Å; L380-S396 WeakPolarHBondContact CB-OG 3.37Å; E381-S396 PolarHBondContact N-OG 3.35Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.18Å; L392-S396 VanDerWaalsContact O-OG 3.12Å; I393-S396 PolarHBondContact O-N 2.61Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 3.47Å; S396-L399 PolarHBondContact O-N 3.31Å; S396-E400 WeakPolarHBondContact O-CG 3.38Å; S396-E400 PolarHBondContact O-N 3.28Å
397	Q	98.5	Very high	98.5	Very high	97 Å²	97	40.7 Å²	40.7	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-35.3	176.6	-68.9	170.5	-5.3	0	0	112.8	I393 F395 R401	I393-Q397 WeakPolarHBondContact O-CG 3.37Å; I393-Q397 PolarHBondContact O-N 3.49Å; F395-Q397 PolarHBondContact O-N 2.99Å; Q397-R401 WeakPolarHBondContact O-CB 3.28Å; Q397-R401 PolarHBondContact O-N 3.11Å
398	T	98.7	Very high	98.5	Very high	19 Å²	19	41.9 Å²	41.9	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-44.9	176.8	-64.1	0	0	0	0	111.2	K394 F395 S396 R401 V402 L446 A449 L450	K394-T398 VanDerWaalsContact O-CB 3.27Å; K394-T398 WeakPolarHBondContact O-CB 3.16Å; K394-T398 PolarHBondContact O-N 2.87Å; K394-T398 PolarHBondContact O-OG1 3.13Å; F395-T398 WeakPolarHBondContact O-CB 3.35Å; F395-T398 PolarHBondContact O-N 2.75Å; F395-T398 VanDerWaalsContact O-N 3.12Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 3.47Å; T398-R401 PolarHBondContact O-N 3.3Å; T398-V402 VanDerWaalsContact O-CG2 3.28Å; T398-V402 WeakPolarHBondContact O-CG2 3.46Å; T398-V402 PolarHBondContact O-N 3.3Å; T398-L446 HydrophobicContact CG2-CD1 4.37Å; T398-A449 HydrophobicContact CG2-CB 4.04Å; T398-L450 HydrophobicContact CG2-CD2 4.23Å
399	L	98.8	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-40.4	178.9	178.3	51.7	0	0	0	111.8	L71 I72 I373 T377 F395 S396 V402 C403 I442 L446	L71-L399 HydrophobicContact CB-CD2 4.43Å; I72-L399 HydrophobicContact CD1-CD2 3.96Å; I373-L399 HydrophobicContact CG2-CD1 4.1Å; I373-L399 HydrophobicContact CG2-CD2 3.84Å; I373-L399 HydrophobicContact CG2-CG 3.7Å; T377-L399 HydrophobicContact CG2-CB 3.88Å; T377-L399 HydrophobicContact CG2-CD2 3.72Å; T377-L399 HydrophobicContact CG2-CG 3.82Å; F395-L399 HydrophobicContact CZ-CD2 4.26Å; F395-L399 PolarHBondContact O-N 3.31Å; S396-L399 PolarHBondContact O-N 3.31Å; L399-V402 PolarHBondContact O-N 3.06Å; L399-C403 PolarHBondContact O-N 3.21Å; L399-C403 VanDerWaalsContact O-N 3.09Å; L399-C403 PolarHBondContact O-SG 3.36Å; L399-I442 HydrophobicContact CD1-CG2 4.17Å; L399-L446 HydrophobicContact CB-CD1 4.24Å; L399-L446 HydrophobicContact CD1-CD1 4.13Å; L399-L446 HydrophobicContact CD1-CD2 4.03Å; L399-L446 HydrophobicContact CD1-CG 4.49Å
400	E	98.6	Very high	98.5	Very high	19 Å²	19	43.6 Å²	43.6	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-47.4	173.5	-70.7	-175.1	-178.9	0	0	112.1	F374 T377 R378 S396 V402 C403 V404	F374-E400 HydrophobicContact CD1-CG 3.86Å; F374-E400 HydrophobicContact CD2-CG 4.18Å; F374-E400 HydrophobicContact CE1-CB 3.83Å; F374-E400 HydrophobicContact CE1-CG 3.56Å; F374-E400 HydrophobicContact CE2-CB 4.01Å; F374-E400 HydrophobicContact CE2-CG 3.91Å; F374-E400 HydrophobicContact CG-CG 4.18Å; F374-E400 HydrophobicContact CZ-CB 3.5Å; F374-E400 HydrophobicContact CZ-CG 3.61Å; T377-E400 WeakPolarHBondContact CB-OE1 3.35Å; T377-E400 HydrophobicContact CG2-CG 3.98Å; T377-E400 WeakPolarHBondContact OG1-CG 3.47Å; T377-E400 PolarHBondContact OG1-OE1 3.09Å; R378-E400 IonicContact CZ-OE1 2.84Å; R378-E400 IonicContact CZ-OE2 3.81Å; R378-E400 IonicContact NE-OE1 2.76Å; R378-E400 PolarHBondContact NE-OE1 3.11Å; R378-E400 IonicContact NE-OE2 3.04Å; R378-E400 VanDerWaalsContact NH2-CD 3.33Å; R378-E400 IonicContact NH2-OE1 3.73Å; R378-E400 PolarHBondContact NH2-OE1 3.13Å; R378-E400 IonicContact NH2-OE2 2.69Å; R378-E400 PolarHBondContact NH2-OE2 3.41Å; S396-E400 WeakPolarHBondContact O-CG 3.38Å; S396-E400 PolarHBondContact O-N 3.28Å; E400-V402 VanDerWaalsContact C-N 3.33Å; E400-V402 PolarHBondContact O-N 2.96Å; E400-C403 WeakPolarHBondContact O-CB 3.49Å; E400-C403 PolarHBondContact O-N 3.05Å; E400-C403 VanDerWaalsContact O-N 3.16Å; E400-V404 PolarHBondContact O-N 3.22Å
401	R	98.5	Very high	98.5	Very high	107 Å²	107	42.2 Å²	42.2	40%	0.404	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-43.1	176.1	-178.8	178.3	59	73.8	7.1	111.8	Q397 T398 C403 V404 E405	Q397-R401 WeakPolarHBondContact O-CB 3.28Å; Q397-R401 PolarHBondContact O-N 3.11Å; T398-R401 PolarHBondContact O-N 3.3Å; R401-C403 VanDerWaalsContact C-N 3.27Å; R401-C403 PolarHBondContact O-N 3.44Å; R401-V404 PolarHBondContact O-N 3.48Å; R401-E405 VanDerWaalsContact CD-OE1 3.26Å; R401-E405 WeakPolarHBondContact CD-OE1 3.49Å; R401-E405 HydrophobicContact CG-CG 4.11Å; R401-E405 WeakPolarHBondContact CG-OE1 3.23Å; R401-E405 IonicContact CZ-OE1 3.13Å; R401-E405 IonicContact NE-OE1 3.79Å; R401-E405 IonicContact NH1-OE1 2.64Å; R401-E405 PolarHBondContact NH1-OE1 3.43Å; R401-E405 IonicContact NH1-OE2 3.02Å; R401-E405 PolarHBondContact NH1-OE2 2.76Å; R401-E405 WeakPolarHBondContact O-CB 3.42Å; R401-E405 WeakPolarHBondContact O-CG 3.41Å; R401-E405 PolarHBondContact O-N 2.78Å
402	V	98.8	Very high	98.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-38.1	176.7	164	0	0	0	0	111.6	T398 L399 E400 T406 I442 N445 L446 A449	T398-V402 VanDerWaalsContact O-CG2 3.28Å; T398-V402 WeakPolarHBondContact O-CG2 3.46Å; T398-V402 PolarHBondContact O-N 3.3Å; L399-V402 PolarHBondContact O-N 3.06Å; E400-V402 VanDerWaalsContact C-N 3.33Å; E400-V402 PolarHBondContact O-N 2.96Å; V402-T406 VanDerWaalsContact O-CB 3.24Å; V402-T406 WeakPolarHBondContact O-CB 2.89Å; V402-T406 PolarHBondContact O-N 3.49Å; V402-T406 PolarHBondContact O-OG1 2.82Å; V402-I442 HydrophobicContact CG1-CG2 4.37Å; V402-N445 HydrophobicContact CG1-CB 3.7Å; V402-L446 HydrophobicContact CG1-CB 4.38Å; V402-A449 HydrophobicContact CG2-CB 3.9Å
403	C	98.6	Very high	98.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-49.1	175.8	-64.6	0	0	0	0	111.8	I370 F374 L399 E400 R401 T406 V407 I442	I370-C403 HydrophobicContact CG1-CB 4.38Å; I370-C403 HydrophobicContact CG2-CB 4.26Å; F374-C403 HydrophobicContact CE2-CB 3.91Å; L399-C403 PolarHBondContact O-N 3.21Å; L399-C403 VanDerWaalsContact O-N 3.09Å; L399-C403 PolarHBondContact O-SG 3.36Å; E400-C403 WeakPolarHBondContact O-CB 3.49Å; E400-C403 PolarHBondContact O-N 3.05Å; E400-C403 VanDerWaalsContact O-N 3.16Å; R401-C403 VanDerWaalsContact C-N 3.27Å; R401-C403 PolarHBondContact O-N 3.44Å; C403-T406 PolarHBondContact O-N 2.87Å; C403-V407 PolarHBondContact O-N 2.81Å; C403-I442 HydrophobicContact CB-CD1 4.3Å
404	V	98.3	Very high	98.5	Very high	29 Å²	29	39.9 Å²	39.9	18%	0.176	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-50.7	179	175.8	0	0	0	0	110.8	I153 E400 R401 T406 V407 E408	I153-V404 HydrophobicContact CG2-CG2 4Å; E400-V404 PolarHBondContact O-N 3.22Å; R401-V404 PolarHBondContact O-N 3.48Å; V404-T406 VanDerWaalsContact C-N 3.26Å; V404-T406 PolarHBondContact O-N 2.84Å; V404-V407 PolarHBondContact O-N 3.49Å; V404-V407 VanDerWaalsContact O-N 3.15Å; V404-E408 HydrophobicContact CG1-CG 4.23Å; V404-E408 WeakPolarHBondContact O-CB 3.27Å; V404-E408 WeakPolarHBondContact O-CG 3.21Å; V404-E408 PolarHBondContact O-N 3Å
405	E	98.6	Very high	98.4	Very high	87 Å²	87	35.1 Å²	35.1	41%	0.407	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-33	179.5	-73.8	176.3	-176.2	0	0	112.5	R401 E408 S409	R401-E405 VanDerWaalsContact CD-OE1 3.26Å; R401-E405 WeakPolarHBondContact CD-OE1 3.49Å; R401-E405 HydrophobicContact CG-CG 4.11Å; R401-E405 WeakPolarHBondContact CG-OE1 3.23Å; R401-E405 IonicContact CZ-OE1 3.13Å; R401-E405 IonicContact NE-OE1 3.79Å; R401-E405 IonicContact NH1-OE1 2.64Å; R401-E405 PolarHBondContact NH1-OE1 3.43Å; R401-E405 IonicContact NH1-OE2 3.02Å; R401-E405 PolarHBondContact NH1-OE2 2.76Å; R401-E405 WeakPolarHBondContact O-CB 3.42Å; R401-E405 WeakPolarHBondContact O-CG 3.41Å; R401-E405 PolarHBondContact O-N 2.78Å; E405-E408 PolarHBondContact O-N 2.94Å; E405-S409 VanDerWaalsContact O-CB 3.32Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 3.47Å; E405-S409 PolarHBondContact O-OG 2.82Å
406	T	98.8	Very high	98.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-46	176	-61.2	0	0	0	0	110.8	V402 C403 V404 S409 I411 F438 A441 I442 N445	V402-T406 VanDerWaalsContact O-CB 3.24Å; V402-T406 WeakPolarHBondContact O-CB 2.89Å; V402-T406 PolarHBondContact O-N 3.49Å; V402-T406 PolarHBondContact O-OG1 2.82Å; C403-T406 PolarHBondContact O-N 2.87Å; V404-T406 VanDerWaalsContact C-N 3.26Å; V404-T406 PolarHBondContact O-N 2.84Å; T406-S409 PolarHBondContact O-N 3.02Å; T406-S409 PolarHBondContact O-OG 3.16Å; T406-I411 CarbonylContact C-O 3.45Å; T406-I411 HydrophobicContact CG2-CB 3.97Å; T406-I411 HydrophobicContact CG2-CG2 4.16Å; T406-I411 PolarHBondContact O-N 2.89Å; T406-I411 VanDerWaalsContact O-O 3.05Å; T406-F438 HydrophobicContact CG2-CE2 4.01Å; T406-A441 HydrophobicContact CG2-CB 4.39Å; T406-I442 HydrophobicContact CG2-CD1 3.85Å; T406-N445 PolarHBondContact OG1-ND2 2.67Å
407	V	98.5	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-45.7	174.5	175.7	0	0	0	0	110.9	C155 N157 I158 I370 C403 V404 S409 G410 I411 M412 L416 F438	C155-V407 HydrophobicContact CB-CB 4.39Å; C155-V407 HydrophobicContact CB-CG1 3.88Å; N157-V407 PolarHBondContact ND2-O 2.97Å; I158-V407 HydrophobicContact CD1-CG1 3.94Å; I158-V407 HydrophobicContact CG1-CG1 3.96Å; I370-V407 HydrophobicContact CD1-CG2 3.65Å; C403-V407 PolarHBondContact O-N 2.81Å; V404-V407 PolarHBondContact O-N 3.49Å; V404-V407 VanDerWaalsContact O-N 3.15Å; V407-S409 PolarHBondContact O-N 2.85Å; V407-G410 PolarHBondContact O-N 3.06Å; V407-I411 WeakPolarHBondContact CA-O 3.48Å; V407-M412 HydrophobicContact CG1-CB 4.35Å; V407-M412 HydrophobicContact CG1-CE 4.42Å; V407-L416 HydrophobicContact CG1-CD1 3.89Å; V407-L416 HydrophobicContact CG2-CD1 3.74Å; V407-F438 HydrophobicContact CG2-CE2 4.43Å; V407-F438 HydrophobicContact CG2-CZ 4.12Å
408	E	98.3	Very high	98.1	Very high	63 Å²	63	30.8 Å²	30.8	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-26.9	179.4	-70.9	-179.7	163.8	0	0	112.9	C155 Q156 V404 E405 G410	C155-E408 HydrophobicContact CB-CG 4.37Å; Q156-E408 VanDerWaalsContact CB-OE1 3.3Å; Q156-E408 WeakPolarHBondContact CB-OE1 3.36Å; Q156-E408 WeakPolarHBondContact CG-OE1 3.39Å; Q156-E408 PolarHBondContact N-OE1 3.32Å; Q156-E408 PolarHBondContact NE2-OE1 3.49Å; V404-E408 HydrophobicContact CG1-CG 4.23Å; V404-E408 WeakPolarHBondContact O-CB 3.27Å; V404-E408 WeakPolarHBondContact O-CG 3.21Å; V404-E408 PolarHBondContact O-N 3Å; E405-E408 PolarHBondContact O-N 2.94Å; E408-G410 PolarHBondContact O-N 3.32Å
409	S	98.2	Very high	98	Very high	80 Å²	80	31.8 Å²	31.8	56%	0.559	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.9	172.6	77.7	0	0	0	0	114.6	E405 T406 V407	E405-S409 VanDerWaalsContact O-CB 3.32Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 3.47Å; E405-S409 PolarHBondContact O-OG 2.82Å; T406-S409 PolarHBondContact O-N 3.02Å; T406-S409 PolarHBondContact O-OG 3.16Å; V407-S409 PolarHBondContact O-N 2.85Å
410	G	97.9	Very high	97.8	Very high	42 Å²	42	34.6 Å²	34.6	43%	0.433	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-3.9	179.1	0	0	0	0	0	114.8	V407 E408	V407-G410 PolarHBondContact O-N 3.06Å; E408-G410 PolarHBondContact O-N 3.32Å
411	I	98.6	Very high	97.8	Very high	62 Å²	62	37.7 Å²	37.7	32%	0.318	20%	0.203	S	C	.	.			trans	-88.6	114.2	174.7	-57.2	174.5	0	0	0	107.9	T406 V407 V433 F438 A441	T406-I411 CarbonylContact C-O 3.45Å; T406-I411 HydrophobicContact CG2-CB 3.97Å; T406-I411 HydrophobicContact CG2-CG2 4.16Å; T406-I411 PolarHBondContact O-N 2.89Å; T406-I411 VanDerWaalsContact O-O 3.05Å; V407-I411 WeakPolarHBondContact CA-O 3.48Å; I411-V433 HydrophobicContact CG2-CG2 3.93Å; I411-F438 HydrophobicContact CG2-CD2 4.08Å; I411-F438 HydrophobicContact CG2-CE2 4.44Å; I411-F438 WeakPolarHBondContact O-CE2 3.4Å; I411-A441 HydrophobicContact CD1-CB 4.42Å; I411-A441 HydrophobicContact CG2-CB 3.95Å
412	M	98.6	Very high	97.7	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.034	20%	0.198	C	C	.	.			trans	-153.3	166.1	-176.2	67.5	-171.1	75.5	0	0	113.3	I158 V407 L416 A417 I420 Y432 V433	I158-M412 HydrophobicContact CD1-SD 4.17Å; V407-M412 HydrophobicContact CG1-CB 4.35Å; V407-M412 HydrophobicContact CG1-CE 4.42Å; M412-L416 HydrophobicContact CB-CB 3.95Å; M412-L416 HydrophobicContact CB-CD1 4.13Å; M412-L416 HydrophobicContact CG-CB 4.06Å; M412-L416 HydrophobicContact SD-CB 3.79Å; M412-A417 HydrophobicContact CG-CB 4.17Å; M412-A417 HydrophobicContact SD-CB 4.19Å; M412-A417 PolarHBondContact SD-N 3.44Å; M412-I420 HydrophobicContact CE-CD1 3.64Å; M412-I420 HydrophobicContact SD-CD1 3.6Å; M412-Y432 CarbonylContact O-C 3.53Å; M412-Y432 WeakPolarHBondContact O-CA 3.37Å; M412-Y432 WeakPolarHBondContact O-CB 3.1Å; M412-V433 WeakPolarHBondContact O-CG2 3.37Å; M412-V433 PolarHBondContact O-N 3.44Å
413	T	98.6	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.			trans	-83	166.5	174	49.1	0	0	0	0	112.1	S366 N368 D415 L416 A417 F438	S366-T413 WeakPolarHBondContact OG-CA 3.5Å; S366-T413 WeakPolarHBondContact OG-CB 3.28Å; N368-T413 WeakPolarHBondContact CB-OG1 3.3Å; T413-D415 VanDerWaalsContact C-N 3.29Å; T413-D415 VanDerWaalsContact CB-OD1 3.24Å; T413-D415 WeakPolarHBondContact CB-OD1 3.38Å; T413-D415 PolarHBondContact O-N 3.25Å; T413-D415 PolarHBondContact OG1-OD1 2.69Å; T413-L416 PolarHBondContact O-N 2.87Å; T413-L416 VanDerWaalsContact O-N 3.13Å; T413-A417 PolarHBondContact O-N 3.45Å; T413-A417 VanDerWaalsContact O-N 3.11Å; T413-F438 HydrophobicContact CG2-CB 3.94Å; T413-F438 HydrophobicContact CG2-CD1 3.84Å; T413-F438 HydrophobicContact CG2-CD2 4.27Å; T413-F438 HydrophobicContact CG2-CE1 4.47Å; T413-F438 HydrophobicContact CG2-CG 3.73Å
414	K	98.1	Very high	97.3	Very high	82 Å²	82	44.6 Å²	44.6	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-35.9	-170.5	-174.7	174.2	-177.3	167.5	0	114	S366 G418 V426 Y432	S366-K414 PolarHBondContact OG-N 3.17Å; K414-G418 PolarHBondContact O-N 2.84Å; K414-V426 HydrophobicContact CG-CG2 4.12Å; K414-Y432 HydrophobicContact CB-CD1 4.16Å; K414-Y432 HydrophobicContact CB-CD2 3.64Å; K414-Y432 HydrophobicContact CB-CE1 4.27Å; K414-Y432 HydrophobicContact CB-CE2 3.79Å; K414-Y432 HydrophobicContact CB-CG 3.84Å; K414-Y432 HydrophobicContact CD-CE1 4.05Å; K414-Y432 HydrophobicContact CD-CE2 4.06Å; K414-Y432 HydrophobicContact CG-CD1 4.05Å; K414-Y432 HydrophobicContact CG-CD2 4.26Å; K414-Y432 HydrophobicContact CG-CE1 3.83Å; K414-Y432 HydrophobicContact CG-CE2 4.08Å; K414-Y432 HydrophobicContact CG-CG 4.25Å
415	D	95.6	Very high	97.3	Very high	36 Å²	36	48 Å²	48	19%	0.193	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-48.1	176.5	58.6	-48.8	0	0	0	111.2	S327 N368 T413 G418 C419	S327-D415 VanDerWaalsContact CB-OD2 3.29Å; S327-D415 WeakPolarHBondContact CB-OD2 3.25Å; S327-D415 PolarHBondContact OG-OD2 3.08Å; N368-D415 WeakPolarHBondContact CB-OD2 3.5Å; N368-D415 PolarHBondContact ND2-OD2 3.36Å; T413-D415 VanDerWaalsContact C-N 3.29Å; T413-D415 VanDerWaalsContact CB-OD1 3.24Å; T413-D415 WeakPolarHBondContact CB-OD1 3.38Å; T413-D415 PolarHBondContact O-N 3.25Å; T413-D415 PolarHBondContact OG1-OD1 2.69Å; D415-G418 WeakPolarHBondContact O-CA 3.37Å; D415-G418 PolarHBondContact O-N 2.83Å; D415-C419 PolarHBondContact O-N 3.32Å; D415-C419 PolarHBondContact O-SG 3.48Å; D415-C419 VanDerWaalsContact O-SG 3.38Å
416	L	96.8	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-43.1	-178.8	-58.8	-170.5	0	0	0	112.3	I158 L330 I370 V407 M412 T413 G418 C419 I420	I158-L416 HydrophobicContact CD1-CB 3.85Å; I158-L416 HydrophobicContact CD1-CD2 4.49Å; L330-L416 HydrophobicContact CD1-CD2 3.5Å; L330-L416 VanDerWaalsContact CD1-CD2 3.5Å; L330-L416 HydrophobicContact CD2-CD1 4.44Å; L330-L416 HydrophobicContact CD2-CD2 4.43Å; L330-L416 HydrophobicContact CG-CD2 3.83Å; I370-L416 HydrophobicContact CD1-CD1 4.28Å; V407-L416 HydrophobicContact CG1-CD1 3.89Å; V407-L416 HydrophobicContact CG2-CD1 3.74Å; M412-L416 HydrophobicContact CB-CB 3.95Å; M412-L416 HydrophobicContact CB-CD1 4.13Å; M412-L416 HydrophobicContact CG-CB 4.06Å; M412-L416 HydrophobicContact SD-CB 3.79Å; T413-L416 PolarHBondContact O-N 2.87Å; T413-L416 VanDerWaalsContact O-N 3.13Å; L416-G418 PolarHBondContact O-N 2.95Å; L416-C419 VanDerWaalsContact O-CB 3.31Å; L416-C419 WeakPolarHBondContact O-CB 3.47Å; L416-C419 PolarHBondContact O-N 3.01Å; L416-I420 PolarHBondContact O-N 2.94Å
417	A	97.8	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-34.6	172.9	0	0	0	0	0	111.4	M412 T413 C419 I420 H421 V426 H431 Y432	M412-A417 HydrophobicContact CG-CB 4.17Å; M412-A417 HydrophobicContact SD-CB 4.19Å; M412-A417 PolarHBondContact SD-N 3.44Å; T413-A417 PolarHBondContact O-N 3.45Å; T413-A417 VanDerWaalsContact O-N 3.11Å; A417-C419 VanDerWaalsContact C-N 3.31Å; A417-C419 PolarHBondContact O-N 3.36Å; A417-I420 PolarHBondContact O-N 2.81Å; A417-H421 PolarHBondContact O-CD2 3.03Å; A417-H421 PolarHBondContact O-N 2.91Å; A417-V426 HydrophobicContact CB-CB 4.44Å; A417-V426 HydrophobicContact CB-CG1 3.83Å; A417-V426 WeakPolarHBondContact O-CG1 3.5Å; A417-H431 HydrophobicContact CB-CB 4.2Å; A417-H431 WeakPolarHBondContact CB-O 3.36Å; A417-Y432 HydrophobicContact CB-CD1 4.47Å
418	G	96.3	Very high	97.2	Very high	11 Å²	11	53.5 Å²	53.5	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-36.3	173.9	0	0	0	0	0	113.3	K414 D415 L416 I420 G422	K414-G418 PolarHBondContact O-N 2.84Å; D415-G418 WeakPolarHBondContact O-CA 3.37Å; D415-G418 PolarHBondContact O-N 2.83Å; L416-G418 PolarHBondContact O-N 2.95Å; G418-I420 VanDerWaalsContact C-N 3.29Å; G418-I420 PolarHBondContact O-N 3.32Å; G418-G422 WeakPolarHBondContact O-CA 3.4Å; G418-G422 PolarHBondContact O-N 3.46Å
419	C	94.9	Very high	97.2	Very high	40 Å²	40	56 Å²	56	27%	0.27	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-32.8	174.5	-57.6	0	0	0	0	112.5	I158 G326 D415 L416 A417	I158-C419 HydrophobicContact CG2-CB 4.04Å; G326-C419 PolarHBondContact O-SG 2.98Å; D415-C419 PolarHBondContact O-N 3.32Å; D415-C419 PolarHBondContact O-SG 3.48Å; D415-C419 VanDerWaalsContact O-SG 3.38Å; L416-C419 VanDerWaalsContact O-CB 3.31Å; L416-C419 WeakPolarHBondContact O-CB 3.47Å; L416-C419 PolarHBondContact O-N 3.01Å; A417-C419 VanDerWaalsContact C-N 3.31Å; A417-C419 PolarHBondContact O-N 3.36Å
420	I	96.4	Very high	97.1	Very high	58 Å²	58	58 Å²	58	30%	0.297	32%	0.322	S	S	.	.	H	α-helix	trans	-85.5	-46.9	-177.4	-55.3	175.1	0	0	0	111.3	I158 M412 L416 A417 G418	I158-I420 HydrophobicContact CD1-CD1 4.01Å; I158-I420 HydrophobicContact CD1-CG1 4.18Å; M412-I420 HydrophobicContact CE-CD1 3.64Å; M412-I420 HydrophobicContact SD-CD1 3.6Å; L416-I420 PolarHBondContact O-N 2.94Å; A417-I420 PolarHBondContact O-N 2.81Å; G418-I420 VanDerWaalsContact C-N 3.29Å; G418-I420 PolarHBondContact O-N 3.32Å
421	H	96.9	Very high	97.1	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.389	31%	0.311	S	S	.	.	H	α-helix	trans	-112	-8.5	-166.3	-57	-71.9	0	0	0	114	A417 N425 V426 H431	A417-H421 PolarHBondContact O-CD2 3.03Å; A417-H421 PolarHBondContact O-N 2.91Å; H421-N425 WeakPolarHBondContact O-CB 3.4Å; H421-N425 PolarHBondContact O-ND2 3.37Å; H421-V426 HydrophobicContact CB-CG1 3.83Å; H421-H431 AromaticContact CD2-CD2 3.65Å; H421-H431 AromaticContact CG-CD2 3.85Å; H421-H431 AromaticContact NE2-CD2 3.81Å
422	G	96.2	Very high	97.1	Very high	28 Å²	28	56.6 Å²	56.6	29%	0.289	30%	0.302	S	S	.	.			trans	81.7	133	-169.3	0	0	0	0	0	112.1	G418 S424 N425	G418-G422 WeakPolarHBondContact O-CA 3.4Å; G418-G422 PolarHBondContact O-N 3.46Å; G422-S424 PolarHBondContact O-N 2.63Å; G422-N425 PolarHBondContact O-N 3.22Å
423	L	94.3	Very high	97.1	Very high	117 Å²	117	57.7 Å²	57.7	61%	0.613	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	-173.4	-75.2	170.4	0	0	0	114.8	N425 V426	L423-N425 VanDerWaalsContact C-N 3.33Å; L423-V426 WeakPolarHBondContact O-CG2 3.09Å
424	S	96.6	Very high	97.1	Very high	110 Å²	110	59.2 Å²	59.2	77%	0.769	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.6	176.9	56.9	0	0	0	0	113.8	G422	G422-S424 PolarHBondContact O-N 2.63Å
425	N	97.7	Very high	97.1	Very high	101 Å²	101	55.6 Å²	55.6	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.3	-170	-55.2	-31.7	0	0	0	113	H421 G422 L423	H421-N425 WeakPolarHBondContact O-CB 3.4Å; H421-N425 PolarHBondContact O-ND2 3.37Å; G422-N425 PolarHBondContact O-N 3.22Å; L423-N425 VanDerWaalsContact C-N 3.33Å
426	V	98	Very high	97.2	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	32%	0.316	C	S	.	.			trans	-85.8	143.4	-175.6	-64.4	0	0	0	0	112.7	K414 A417 H421 L423 H431 Y432	K414-V426 HydrophobicContact CG-CG2 4.12Å; A417-V426 HydrophobicContact CB-CB 4.44Å; A417-V426 HydrophobicContact CB-CG1 3.83Å; A417-V426 WeakPolarHBondContact O-CG1 3.5Å; H421-V426 HydrophobicContact CB-CG1 3.83Å; L423-V426 WeakPolarHBondContact O-CG2 3.09Å; V426-H431 HydrophobicContact CB-CB 4.12Å; V426-H431 HydrophobicContact CG1-CB 4.15Å; V426-Y432 HydrophobicContact CB-CD1 3.9Å; V426-Y432 HydrophobicContact CB-CE1 4.01Å; V426-Y432 HydrophobicContact CG2-CD1 4.11Å; V426-Y432 HydrophobicContact CG2-CE1 3.89Å
427	K	98	Very high	97.3	Very high	125 Å²	125	60.9 Å²	60.9	54%	0.543	33%	0.333	S	S	.	.			trans	-130.6	141.1	179.5	-68.8	166	179.3	173.1	0	111.1	E430 H431 Y432	K427-E430 HydrophobicContact CB-CB 4.09Å; K427-E430 WeakPolarHBondContact CD-OE2 3.08Å; K427-E430 IonicContact NZ-OE2 3.22Å; K427-E430 PolarHBondContact O-N 3.19Å; K427-H431 PolarHBondContact N-ND1 2.81Å; K427-H431 PolarHBondContact O-N 2.94Å; K427-Y432 WeakPolarHBondContact O-CD1 3.48Å
428	L	97.9	Very high	97.4	Very high	64 Å²	64	60.9 Å²	60.9	34%	0.335	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-61.9	135.8	176.5	179.2	64.8	0	0	0	109.6	P364 E430 Y432 N434	P364-L428 HydrophobicContact CB-CD2 4.48Å; L428-E430 PolarHBondContact O-N 3.25Å; L428-Y432 CarbonylContact C-O 3.59Å; L428-Y432 HydrophobicContact CB-CE1 4.46Å; L428-Y432 HydrophobicContact CB-CE2 3.82Å; L428-Y432 HydrophobicContact CD1-CD2 3.87Å; L428-Y432 HydrophobicContact CD1-CE2 3.57Å; L428-Y432 HydrophobicContact CG-CE2 4.28Å; L428-Y432 VanDerWaalsContact N-CE1 3.29Å; L428-N434 HydrophobicContact CD1-CB 4.1Å
429	N	96.8	Very high	97.5	Very high	114 Å²	114	60.7 Å²	60.7	61%	0.61	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	6.2	-177.3	-54.5	-23.5	0	0	0	115.7	Y432	N429-Y432 PolarHBondContact N-O 2.98Å
430	E	97.5	Very high	97.7	Very high	124 Å²	124	62.2 Å²	62.2	58%	0.579	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-50.7	170.3	-173.8	-179.6	154.5	0	0	110.3	K427 L428	K427-E430 HydrophobicContact CB-CB 4.09Å; K427-E430 WeakPolarHBondContact CD-OE2 3.08Å; K427-E430 IonicContact NZ-OE2 3.22Å; K427-E430 PolarHBondContact O-N 3.19Å; L428-E430 PolarHBondContact O-N 3.25Å
431	H	98.4	Very high	97.8	Very high	43 Å²	43	60.3 Å²	60.3	20%	0.199	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-25.8	-176.8	-58	91.7	0	0	0	113.2	A417 H421 V426 K427	A417-H431 HydrophobicContact CB-CB 4.2Å; A417-H431 WeakPolarHBondContact CB-O 3.36Å; H421-H431 AromaticContact CD2-CD2 3.65Å; H421-H431 AromaticContact CG-CD2 3.85Å; H421-H431 AromaticContact NE2-CD2 3.81Å; V426-H431 HydrophobicContact CB-CB 4.12Å; V426-H431 HydrophobicContact CG1-CB 4.15Å; K427-H431 PolarHBondContact N-ND1 2.81Å; K427-H431 PolarHBondContact O-N 2.94Å
432	Y	98.6	Very high	97.8	Very high	31 Å²	31	56.3 Å²	56.3	12%	0.122	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-146.9	161.7	-179.2	68.7	-90.1	0	0	0	111.2	M412 K414 A417 V426 K427 L428 N429	M412-Y432 CarbonylContact O-C 3.53Å; M412-Y432 WeakPolarHBondContact O-CA 3.37Å; M412-Y432 WeakPolarHBondContact O-CB 3.1Å; K414-Y432 HydrophobicContact CB-CD1 4.16Å; K414-Y432 HydrophobicContact CB-CD2 3.64Å; K414-Y432 HydrophobicContact CB-CE1 4.27Å; K414-Y432 HydrophobicContact CB-CE2 3.79Å; K414-Y432 HydrophobicContact CB-CG 3.84Å; K414-Y432 HydrophobicContact CD-CE1 4.05Å; K414-Y432 HydrophobicContact CD-CE2 4.06Å; K414-Y432 HydrophobicContact CG-CD1 4.05Å; K414-Y432 HydrophobicContact CG-CD2 4.26Å; K414-Y432 HydrophobicContact CG-CE1 3.83Å; K414-Y432 HydrophobicContact CG-CE2 4.08Å; K414-Y432 HydrophobicContact CG-CG 4.25Å; A417-Y432 HydrophobicContact CB-CD1 4.47Å; V426-Y432 HydrophobicContact CB-CD1 3.9Å; V426-Y432 HydrophobicContact CB-CE1 4.01Å; V426-Y432 HydrophobicContact CG2-CD1 4.11Å; V426-Y432 HydrophobicContact CG2-CE1 3.89Å; K427-Y432 WeakPolarHBondContact O-CD1 3.48Å; L428-Y432 CarbonylContact C-O 3.59Å; L428-Y432 HydrophobicContact CB-CE1 4.46Å; L428-Y432 HydrophobicContact CB-CE2 3.82Å; L428-Y432 HydrophobicContact CD1-CD2 3.87Å; L428-Y432 HydrophobicContact CD1-CE2 3.57Å; L428-Y432 HydrophobicContact CG-CE2 4.28Å; L428-Y432 VanDerWaalsContact N-CE1 3.29Å; N429-Y432 PolarHBondContact N-O 2.98Å
433	V	98.6	Very high	98	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.176	31%	0.307	C	S	.	.			trans	-111.6	161.8	175.7	-69.8	0	0	0	0	111.7	S366 I411 M412 D437 F438	S366-V433 WeakPolarHBondContact CB-O 3.44Å; S366-V433 PolarHBondContact OG-O 3.38Å; I411-V433 HydrophobicContact CG2-CG2 3.93Å; M412-V433 WeakPolarHBondContact O-CG2 3.37Å; M412-V433 PolarHBondContact O-N 3.44Å; V433-D437 HydrophobicContact CB-CB 4Å; V433-F438 HydrophobicContact CG2-CB 3.67Å; V433-F438 HydrophobicContact CG2-CD2 3.87Å; V433-F438 HydrophobicContact CG2-CG 4.24Å
434	N	98.4	Very high	98.2	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.171	31%	0.31	C	S	.	.			trans	-72.1	170.3	174.5	72.8	50.8	0	0	0	111	T365 L428 T436 D437 F438	T365-N434 CarbonylContact O-C 3.6Å; T365-N434 WeakPolarHBondContact O-CA 3.27Å; T365-N434 VanDerWaalsContact O-CB 3.24Å; T365-N434 WeakPolarHBondContact O-CB 3.4Å; L428-N434 HydrophobicContact CD1-CB 4.1Å; N434-T436 VanDerWaalsContact C-N 3.33Å; N434-T436 PolarHBondContact O-N 2.81Å; N434-T436 PolarHBondContact OD1-N 3.49Å; N434-D437 VanDerWaalsContact ND2-CG 3.27Å; N434-D437 PolarHBondContact ND2-OD2 3.33Å; N434-D437 PolarHBondContact O-N 3.16Å; N434-D437 PolarHBondContact OD1-N 2.78Å; N434-F438 WeakPolarHBondContact O-CB 3.37Å; N434-F438 PolarHBondContact O-N 3.38Å
435	T	98.4	Very high	98.3	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-45.3	-176.6	-50.5	0	0	0	0	112.4	I63 T365 S366 T367 L439	I63-T435 HydrophobicContact CD1-CG2 3.96Å; I63-T435 HydrophobicContact CG1-CG2 3.87Å; T365-T435 VanDerWaalsContact C-OG1 3.24Å; T365-T435 PolarHBondContact O-N 3.42Å; T365-T435 PolarHBondContact O-OG1 3.44Å; T365-T435 VanDerWaalsContact O-OG1 3.11Å; T365-T435 PolarHBondContact OG1-OG1 2.99Å; S366-T435 WeakPolarHBondContact CA-OG1 3.32Å; S366-T435 PolarHBondContact N-OG1 2.99Å; T367-T435 PolarHBondContact N-OG1 2.9Å; T435-L439 HydrophobicContact CG2-CD1 4.17Å; T435-L439 WeakPolarHBondContact O-CB 3.45Å; T435-L439 WeakPolarHBondContact O-CG 3.19Å; T435-L439 PolarHBondContact O-N 3.42Å; T435-L439 VanDerWaalsContact O-N 3.1Å
436	T	97.6	Very high	98.3	Very high	82 Å²	82	51.7 Å²	51.7	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-69.7	-48.5	-177	-54.2	0	0	0	0	111.1	N434 F438 L439 D440	N434-T436 VanDerWaalsContact C-N 3.33Å; N434-T436 PolarHBondContact O-N 2.81Å; N434-T436 PolarHBondContact OD1-N 3.49Å; T436-F438 VanDerWaalsContact C-N 3.26Å; T436-F438 PolarHBondContact O-N 3.05Å; T436-L439 PolarHBondContact O-N 2.95Å; T436-L439 VanDerWaalsContact O-N 3.14Å; T436-D440 WeakPolarHBondContact O-CB 3.42Å; T436-D440 PolarHBondContact O-N 3.38Å
437	D	98.5	Very high	98.3	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.353	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-36.4	179.6	-66.6	-11	0	0	0	111.5	V433 N434 A441	V433-D437 HydrophobicContact CB-CB 4Å; N434-D437 VanDerWaalsContact ND2-CG 3.27Å; N434-D437 PolarHBondContact ND2-OD2 3.33Å; N434-D437 PolarHBondContact O-N 3.16Å; N434-D437 PolarHBondContact OD1-N 2.78Å; D437-A441 WeakPolarHBondContact O-CB 3.47Å; D437-A441 PolarHBondContact O-N 2.99Å
438	F	98.8	Very high	98.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-47.5	174.4	-171	-108.1	0	0	0	112	P369 I370 T406 V407 I411 T413 V433 N434 T436 D440 A441 I442	P369-F438 VanDerWaalsContact CD-CD1 3.41Å; P369-F438 HydrophobicContact CG-CD1 3.52Å; P369-F438 HydrophobicContact CG-CE1 3.69Å; I370-F438 HydrophobicContact CD1-CE1 4.23Å; I370-F438 HydrophobicContact CD1-CZ 4.01Å; I370-F438 HydrophobicContact CG1-CE1 3.97Å; I370-F438 HydrophobicContact CG1-CZ 4.22Å; T406-F438 HydrophobicContact CG2-CE2 4.01Å; V407-F438 HydrophobicContact CG2-CE2 4.43Å; V407-F438 HydrophobicContact CG2-CZ 4.12Å; I411-F438 HydrophobicContact CG2-CD2 4.08Å; I411-F438 HydrophobicContact CG2-CE2 4.44Å; I411-F438 WeakPolarHBondContact O-CE2 3.4Å; T413-F438 HydrophobicContact CG2-CB 3.94Å; T413-F438 HydrophobicContact CG2-CD1 3.84Å; T413-F438 HydrophobicContact CG2-CD2 4.27Å; T413-F438 HydrophobicContact CG2-CE1 4.47Å; T413-F438 HydrophobicContact CG2-CG 3.73Å; V433-F438 HydrophobicContact CG2-CB 3.67Å; V433-F438 HydrophobicContact CG2-CD2 3.87Å; V433-F438 HydrophobicContact CG2-CG 4.24Å; N434-F438 WeakPolarHBondContact O-CB 3.37Å; N434-F438 PolarHBondContact O-N 3.38Å; T436-F438 VanDerWaalsContact C-N 3.26Å; T436-F438 PolarHBondContact O-N 3.05Å; F438-D440 VanDerWaalsContact C-N 3.31Å; F438-D440 PolarHBondContact O-N 2.76Å; F438-A441 WeakPolarHBondContact O-CB 3.28Å; F438-A441 PolarHBondContact O-N 3.45Å; F438-I442 HydrophobicContact CD1-CG1 4.4Å; F438-I442 HydrophobicContact CE1-CD1 4.34Å; F438-I442 HydrophobicContact CE1-CG1 4.05Å; F438-I442 HydrophobicContact CZ-CD1 4.13Å; F438-I442 HydrophobicContact CZ-CG1 4.24Å; F438-I442 WeakPolarHBondContact O-CG1 3.4Å; F438-I442 PolarHBondContact O-N 2.97Å
439	L	98.6	Very high	98.2	Very high	6 Å²	6	54 Å²	54	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-39.3	176.8	-80.4	170.3	0	0	0	112.2	I63 F66 I67 P369 T435 T436 I442 K443	I63-L439 HydrophobicContact CG1-CD1 4.42Å; F66-L439 HydrophobicContact CB-CD1 4.05Å; F66-L439 HydrophobicContact CD1-CB 3.85Å; F66-L439 HydrophobicContact CD1-CD1 4.05Å; F66-L439 HydrophobicContact CD1-CD2 3.78Å; F66-L439 HydrophobicContact CD1-CG 4.11Å; F66-L439 HydrophobicContact CD2-CB 4.35Å; F66-L439 HydrophobicContact CD2-CD1 4.32Å; F66-L439 HydrophobicContact CE1-CB 3.61Å; F66-L439 HydrophobicContact CE1-CD2 4.14Å; F66-L439 HydrophobicContact CE1-CG 4.34Å; F66-L439 HydrophobicContact CE2-CB 4.1Å; F66-L439 HydrophobicContact CG-CB 4.23Å; F66-L439 HydrophobicContact CG-CD1 3.88Å; F66-L439 HydrophobicContact CG-CD2 4.44Å; F66-L439 HydrophobicContact CG-CG 4.43Å; F66-L439 HydrophobicContact CZ-CB 3.73Å; I67-L439 HydrophobicContact CG1-CD2 4.47Å; P369-L439 HydrophobicContact CB-CD2 3.67Å; P369-L439 HydrophobicContact CB-CG 4.28Å; P369-L439 HydrophobicContact CG-CD2 3.66Å; P369-L439 HydrophobicContact CG-CG 4.07Å; T435-L439 HydrophobicContact CG2-CD1 4.17Å; T435-L439 WeakPolarHBondContact O-CB 3.45Å; T435-L439 WeakPolarHBondContact O-CG 3.19Å; T435-L439 PolarHBondContact O-N 3.42Å; T435-L439 VanDerWaalsContact O-N 3.1Å; T436-L439 PolarHBondContact O-N 2.95Å; T436-L439 VanDerWaalsContact O-N 3.14Å; L439-I442 PolarHBondContact O-N 2.91Å; L439-K443 WeakPolarHBondContact O-CB 3.2Å; L439-K443 PolarHBondContact O-N 2.83Å
440	D	98.6	Very high	98.2	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-37.5	175	-76.5	-28	0	0	0	112.2	F66 T436 F438 K443 K444	F66-D440 WeakPolarHBondContact CE2-OD1 3.32Å; F66-D440 WeakPolarHBondContact CZ-OD1 3.24Å; T436-D440 WeakPolarHBondContact O-CB 3.42Å; T436-D440 PolarHBondContact O-N 3.38Å; F438-D440 VanDerWaalsContact C-N 3.31Å; F438-D440 PolarHBondContact O-N 2.76Å; D440-K443 PolarHBondContact O-N 2.85Å; D440-K444 WeakPolarHBondContact O-CB 3.27Å; D440-K444 PolarHBondContact O-N 3Å
441	A	98.7	Very high	97.9	Very high	17 Å²	17	49 Å²	49	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-44.8	172.6	0	0	0	0	0	111.4	T406 I411 D437 F438 K444 N445	T406-A441 HydrophobicContact CG2-CB 4.39Å; I411-A441 HydrophobicContact CD1-CB 4.42Å; I411-A441 HydrophobicContact CG2-CB 3.95Å; D437-A441 WeakPolarHBondContact O-CB 3.47Å; D437-A441 PolarHBondContact O-N 2.99Å; F438-A441 WeakPolarHBondContact O-CB 3.28Å; F438-A441 PolarHBondContact O-N 3.45Å; A441-K444 PolarHBondContact O-N 3.21Å; A441-N445 WeakPolarHBondContact O-CB 3.24Å; A441-N445 PolarHBondContact O-N 2.7Å; A441-N445 PolarHBondContact O-ND2 3.26Å
442	I	98.7	Very high	97.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-48.3	173.7	-65.5	-66.9	0	0	0	110.7	L71 I373 L399 V402 C403 T406 F438 L439 K444 N445 L446	L71-I442 HydrophobicContact CD1-CG2 4.03Å; L71-I442 HydrophobicContact CD2-CG2 4.32Å; I373-I442 HydrophobicContact CD1-CG2 4.25Å; L399-I442 HydrophobicContact CD1-CG2 4.17Å; V402-I442 HydrophobicContact CG1-CG2 4.37Å; C403-I442 HydrophobicContact CB-CD1 4.3Å; T406-I442 HydrophobicContact CG2-CD1 3.85Å; F438-I442 HydrophobicContact CD1-CG1 4.4Å; F438-I442 HydrophobicContact CE1-CD1 4.34Å; F438-I442 HydrophobicContact CE1-CG1 4.05Å; F438-I442 HydrophobicContact CZ-CD1 4.13Å; F438-I442 HydrophobicContact CZ-CG1 4.24Å; F438-I442 WeakPolarHBondContact O-CG1 3.4Å; F438-I442 PolarHBondContact O-N 2.97Å; L439-I442 PolarHBondContact O-N 2.91Å; I442-K444 PolarHBondContact O-N 2.91Å; I442-N445 PolarHBondContact O-N 2.82Å; I442-L446 WeakPolarHBondContact O-CB 3.09Å; I442-L446 PolarHBondContact O-N 3.25Å
443	K	98.6	Very high	97.2	Very high	57 Å²	57	55 Å²	55	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-49.7	178.7	-173.7	-166.7	178	-62.9	0	111.4	F66 K70 L71 L439 D440 N445 L446 D447	F66-K443 HydrophobicContact CE1-CB 4.45Å; F66-K443 HydrophobicContact CZ-CB 4.36Å; K70-K443 HydrophobicContact CB-CD 4.18Å; L71-K443 HydrophobicContact CD2-CB 3.74Å; L71-K443 HydrophobicContact CD2-CG 4.04Å; L439-K443 WeakPolarHBondContact O-CB 3.2Å; L439-K443 PolarHBondContact O-N 2.83Å; D440-K443 PolarHBondContact O-N 2.85Å; K443-N445 VanDerWaalsContact C-N 3.33Å; K443-N445 PolarHBondContact O-N 3.05Å; K443-L446 PolarHBondContact O-N 3.28Å; K443-D447 IonicContact NZ-OD2 2.74Å; K443-D447 PolarHBondContact NZ-OD2 2.75Å; K443-D447 PolarHBondContact O-N 3.34Å
444	K	98.4	Very high	97.1	Very high	156 Å²	156	56.3 Å²	56.3	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-60	-43.4	179	179.6	-178.2	176	-177.3	0	111.7	D440 A441 I442 K448	D440-K444 WeakPolarHBondContact O-CB 3.27Å; D440-K444 PolarHBondContact O-N 3Å; A441-K444 PolarHBondContact O-N 3.21Å; I442-K444 PolarHBondContact O-N 2.91Å; K444-K448 WeakPolarHBondContact O-CB 3.22Å; K444-K448 PolarHBondContact O-N 2.84Å
445	N	98.6	Very high	97.1	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-69.4	-35.2	179.5	-70.7	-15.4	0	0	0	111.7	V402 T406 A441 I442 K443 A449	V402-N445 HydrophobicContact CG1-CB 3.7Å; T406-N445 PolarHBondContact OG1-ND2 2.67Å; A441-N445 WeakPolarHBondContact O-CB 3.24Å; A441-N445 PolarHBondContact O-N 2.7Å; A441-N445 PolarHBondContact O-ND2 3.26Å; I442-N445 PolarHBondContact O-N 2.82Å; K443-N445 VanDerWaalsContact C-N 3.33Å; K443-N445 PolarHBondContact O-N 3.05Å; N445-A449 WeakPolarHBondContact O-CB 3.13Å; N445-A449 PolarHBondContact O-N 2.63Å
446	L	98.5	Very high	97	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-49.6	172.9	-179.7	65.9	0	0	0	111.5	L71 F395 T398 L399 V402 I442 K443 K448 A449 L450	L71-L446 HydrophobicContact CB-CD2 4.32Å; L71-L446 HydrophobicContact CD2-CD2 4.16Å; F395-L446 HydrophobicContact CE2-CD1 4.42Å; F395-L446 HydrophobicContact CE2-CD2 4.39Å; T398-L446 HydrophobicContact CG2-CD1 4.37Å; L399-L446 HydrophobicContact CB-CD1 4.24Å; L399-L446 HydrophobicContact CD1-CD1 4.13Å; L399-L446 HydrophobicContact CD1-CD2 4.03Å; L399-L446 HydrophobicContact CD1-CG 4.49Å; V402-L446 HydrophobicContact CG1-CB 4.38Å; I442-L446 WeakPolarHBondContact O-CB 3.09Å; I442-L446 PolarHBondContact O-N 3.25Å; K443-L446 PolarHBondContact O-N 3.28Å; L446-K448 VanDerWaalsContact C-N 3.27Å; L446-K448 PolarHBondContact O-N 3.32Å; L446-A449 PolarHBondContact O-N 3.47Å; L446-L450 HydrophobicContact CD1-CD1 3.88Å; L446-L450 HydrophobicContact CD1-CG 4.11Å; L446-L450 HydrophobicContact CG-CD1 3.9Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.37Å; L446-L450 PolarHBondContact O-N 3.41Å
447	D	97.8	Very high	96.9	Very high	31 Å²	31	59.4 Å²	59.4	17%	0.166	32%	0.318	C	S	.	.	H	α-helix	trans	-56.5	-44.9	178	-72.9	-26.9	0	0	0	110.4	K443 A449 L450 G451 K452	K443-D447 IonicContact NZ-OD2 2.74Å; K443-D447 PolarHBondContact NZ-OD2 2.75Å; K443-D447 PolarHBondContact O-N 3.34Å; D447-A449 PolarHBondContact O-N 2.9Å; D447-L450 CarbonylContact O-C 3.58Å; D447-L450 PolarHBondContact O-N 3.31Å; D447-G451 PolarHBondContact O-N 3.46Å; D447-K452 HydrophobicContact CB-CB 4.11Å; D447-K452 PolarHBondContact O-N 3.33Å
448	K	97.8	Very high	96.8	Very high	173 Å²	173	58.9 Å²	58.9	75%	0.752	32%	0.315	S	S	*	.	H	α-helix	trans	-59.6	-45.5	173.9	-175	-176.9	178.1	-173.2	0	112.4	K444 L446 L450 G451	K444-K448 WeakPolarHBondContact O-CB 3.22Å; K444-K448 PolarHBondContact O-N 2.84Å; L446-K448 VanDerWaalsContact C-N 3.27Å; L446-K448 PolarHBondContact O-N 3.32Å; K448-L450 PolarHBondContact O-N 3.37Å; K448-G451 PolarHBondContact O-N 2.82Å
449	A	97.4	Very high	96.7	Very high	47 Å²	47	63.1 Å²	63.1	39%	0.388	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-27.3	179.5	0	0	0	0	0	112.9	T398 V402 N445 L446 D447	T398-A449 HydrophobicContact CG2-CB 4.04Å; V402-A449 HydrophobicContact CG2-CB 3.9Å; N445-A449 WeakPolarHBondContact O-CB 3.13Å; N445-A449 PolarHBondContact O-N 2.63Å; L446-A449 PolarHBondContact O-N 3.47Å; D447-A449 PolarHBondContact O-N 2.9Å
450	L	94.9	Very high	96.5	Very high	63 Å²	63	67.5 Å²	67.5	33%	0.33	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.9	176.5	-62.1	178.4	0	0	0	113.5	N75 F395 T398 L446 D447 K448 K452	N75-L450 HydrophobicContact CB-CD1 4.44Å; N75-L450 VanDerWaalsContact OD1-CD1 3.23Å; N75-L450 WeakPolarHBondContact OD1-CD1 3.38Å; F395-L450 HydrophobicContact CD2-CD1 4.22Å; F395-L450 HydrophobicContact CE2-CD1 4.1Å; T398-L450 HydrophobicContact CG2-CD2 4.23Å; L446-L450 HydrophobicContact CD1-CD1 3.88Å; L446-L450 HydrophobicContact CD1-CG 4.11Å; L446-L450 HydrophobicContact CG-CD1 3.9Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.37Å; L446-L450 PolarHBondContact O-N 3.41Å; D447-L450 CarbonylContact O-C 3.58Å; D447-L450 PolarHBondContact O-N 3.31Å; K448-L450 PolarHBondContact O-N 3.37Å; L450-K452 HydrophobicContact CB-CG 4.39Å
451	G	92.4	Very high	96.4	Very high	71 Å²	71	67.1 Å²	67.1	73%	0.732	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	35.1	-179.9	0	0	0	0	0	114.2	D447 K448	D447-G451 PolarHBondContact O-N 3.46Å; K448-G451 PolarHBondContact O-N 2.82Å
452	K	84.9	Confident	96.2	Very high	143 Å²	143	71.6 Å²	71.6	62%	0.622	38%	0.379	S	S	*	.			trans	-96.9	0	178.7	-69.7	-173.7	173.5	-172.4	0	113.6	T74 N75 D447 L450	T74-K452 PolarHBondContact O-NZ 3.36Å; N75-K452 WeakPolarHBondContact OD1-CE 3.36Å; N75-K452 PolarHBondContact OD1-NZ 2.96Å; D447-K452 HydrophobicContact CB-CB 4.11Å; D447-K452 PolarHBondContact O-N 3.33Å; L450-K452 HydrophobicContact CB-CG 4.39Å

Retrieved 452 of 452 residues in 101.8 ms (Link to these results)

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