A0A590UJJ4_HUMAN Loading...

Voltage-gated potassium channel subunit beta-2

AlphaFold DB , UniProt , Accession A0A590UJJ4, Species HUMAN (Homo sapiens, Human), Gene KCNAB2, Length 328 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	50.8	Low	36.8	Very low	231 Å²	231	140.6 Å²	140.6	100%	1.138	83%	0.833	S	S	*	*				0	94.5	0	-166.3	-171.2	-67.8	0	0	107.2
2	Y	30.1	Very low	36.5	Very low	233 Å²	233	149.6 Å²	149.6	91%	0.914	84%	0.841	S	S	*	*			trans	174.6	150.9	165.2	-90.8	-62.7	0	0	0	105.7
3	P	40.5	Very low	36.1	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	84%	0.843	S	S	*	*				-107.5	161.2	-116.5	36.8	-30.8	0	0	0	114.7	S5	P3-S5 PolarHBondContact O-N 3.49Å
4	E	39.9	Very low	36	Very low	195 Å²	195	147.8 Å²	147.8	91%	0.911	84%	0.837	S	S	*	*			trans	-59.6	126	167.5	-68.9	175.6	155	0	0	110.9
5	S	34.8	Very low	35.8	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	84%	0.835	S	S	*	*			trans	-98.4	109	169	62.7	0	0	0	0	109.8	P3 T7	P3-S5 PolarHBondContact O-N 3.49Å; S5-T7 PolarHBondContact O-N 3.18Å
6	T	35.1	Very low	35.9	Very low	137 Å²	137	153.8 Å²	153.8	84%	0.84	84%	0.839	S	S	*	*			trans	-57	115.5	170.4	44.3	0	0	0	0	111.8	G8	T6-G8 PolarHBondContact O-N 3.32Å
7	T	34.8	Very low	35.9	Very low	138 Å²	138	154.6 Å²	154.6	85%	0.847	84%	0.836	S	S	*	*			trans	-81.1	88.7	168.1	51.8	0	0	0	0	109.8	S5 S9	S5-T7 PolarHBondContact O-N 3.18Å; T7-S9 PolarHBondContact O-N 3.44Å
8	G	31.9	Very low	36.1	Very low	68 Å²	68	154.6 Å²	154.6	70%	0.701	84%	0.842	S	S	*	*			trans	-75.5	111.3	163.3	0	0	0	0	0	109.6	T6	T6-G8 PolarHBondContact O-N 3.32Å
9	S	35.3	Very low	36.3	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-66.6	124.5	170.7	-170.4	0	0	0	0	109.2	T7 A11	T7-S9 PolarHBondContact O-N 3.44Å; S9-A11 PolarHBondContact O-N 3.32Å
10	P	35.2	Very low	37	Very low	119 Å²	119	145.1 Å²	145.1	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71	121.3	173.1	-9.4	24.7	0	0	0	108.7	R12	P10-R12 PolarHBondContact O-N 3.24Å
11	A	36	Very low	38	Very low	89 Å²	89	139.3 Å²	139.3	74%	0.736	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-52.6	126.6	169.9	0	0	0	0	0	109.9	S9 L13	S9-A11 PolarHBondContact O-N 3.32Å; A11-L13 PolarHBondContact O-N 2.97Å
12	R	33.1	Very low	39.5	Very low	248 Å²	248	130.8 Å²	130.8	94%	0.936	75%	0.747	S	S	*	*			trans	-61.5	103.6	167	-83.1	-177.1	177.9	-170.1	-0.5	107.9	P10 S14	P10-R12 PolarHBondContact O-N 3.24Å; R12-S14 PolarHBondContact O-N 3.01Å
13	L	31.8	Very low	42.6	Very low	166 Å²	166	120.9 Å²	120.9	87%	0.869	71%	0.709	S	S	*	*			trans	-59.4	103.8	162.3	-84.1	153.1	0	0	0	107.8	A11 L15	A11-L13 PolarHBondContact O-N 2.97Å; L13-L15 PolarHBondContact O-N 3.01Å
14	S	34.4	Very low	45.2	Very low	108 Å²	108	117.7 Å²	117.7	76%	0.755	69%	0.685	S	S	*	*			trans	-69.4	97.7	168.9	73.4	0	0	0	0	108	R12 R16	R12-S14 PolarHBondContact O-N 3.01Å; S14-R16 PolarHBondContact O-N 2.82Å
15	L	33.7	Very low	47.9	Very low	154 Å²	154	112.7 Å²	112.7	81%	0.806	66%	0.659	S	S	*	*			trans	-63	105.3	155.8	-80	155.3	0	0	0	106.3	L13 Q17	L13-L15 PolarHBondContact O-N 3.01Å; L15-Q17 PolarHBondContact O-N 3.05Å
16	R	37.2	Very low	50.9	Low	237 Å²	237	109.9 Å²	109.9	89%	0.894	63%	0.631	S	S	*	*			trans	-62.1	89.4	159.2	-81.3	-174.8	175.9	-164.9	-1.2	106.4	S14 T18	S14-R16 PolarHBondContact O-N 2.82Å; R16-T18 PolarHBondContact O-N 2.81Å
17	Q	36	Very low	53.9	Low	169 Å²	169	106.4 Å²	106.4	79%	0.79	61%	0.608	S	S	*	*			trans	-66.9	120.6	162	-78.4	-177.9	-10.2	0	0	106.4	L15 G19	L15-Q17 PolarHBondContact O-N 3.05Å; Q17-G19 PolarHBondContact O-N 3.36Å
18	T	39.4	Very low	56.9	Low	154 Å²	154	99.8 Å²	99.8	95%	0.945	57%	0.567	S	S	*	*			trans	-65.8	70.4	152	51.7	0	0	0	0	106.7	R16	R16-T18 PolarHBondContact O-N 2.81Å
19	G	40.3	Very low	60.1	Low	44 Å²	44	96.9 Å²	96.9	45%	0.454	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-97.3	131	-167.1	0	0	0	0	0	110.4	Q17	Q17-G19 PolarHBondContact O-N 3.36Å
20	S	49.4	Very low	63.1	Low	74 Å²	74	97.6 Å²	97.6	52%	0.517	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-48.3	133.2	159.3	-177.1	0	0	0	0	108.4	G22 N65	S20-G22 PolarHBondContact O-N 3.01Å; S20-N65 PolarHBondContact OG-OD1 2.75Å
21	P	57.9	Low	66.1	Low	25 Å²	25	92.7 Å²	92.7	16%	0.162	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-54.2	118.8	173.8	25.5	-35.6	0	0	0	107.9	M23 I323 Q324	P21-M23 PolarHBondContact O-N 3.06Å; P21-I323 HydrophobicContact CB-CB 4.45Å; P21-I323 HydrophobicContact CB-CG2 4.14Å; P21-I323 HydrophobicContact CG-CB 4.49Å; P21-Q324 HydrophobicContact CB-CG 3.73Å; P21-Q324 HydrophobicContact CG-CG 3.54Å
22	G	83.4	Confident	69.1	Low	52 Å²	52	91.4 Å²	91.4	54%	0.536	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-57.3	126	-174.5	0	0	0	0	0	111	S20 I24	S20-G22 PolarHBondContact O-N 3.01Å; G22-I24 PolarHBondContact O-N 3.21Å
23	M	94.8	Very high	72.2	Confident	24 Å²	24	80.5 Å²	80.5	12%	0.118	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-55.3	130.6	176.1	-178.6	59.8	63.6	0	0	110.6	P21 Y25 N65 I67 I323	P21-M23 PolarHBondContact O-N 3.06Å; M23-Y25 HydrophobicContact CB-CE2 4.2Å; M23-Y25 HydrophobicContact CG-CE1 4.21Å; M23-Y25 HydrophobicContact CG-CE2 4.19Å; M23-N65 WeakPolarHBondContact CE-O 3.47Å; M23-I67 HydrophobicContact CE-CD1 4.41Å; M23-I67 HydrophobicContact CE-CG1 3.48Å; M23-I67 VanDerWaalsContact CE-CG1 3.48Å; M23-I323 HydrophobicContact CE-CD1 3.52Å; M23-I323 HydrophobicContact SD-CD1 3.68Å
24	I	94.2	Very high	75.4	Confident	47 Å²	47	78.6 Å²	78.6	24%	0.241	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-87.6	130	177.3	-58.9	171.6	0	0	0	108.3	G22 R26 S36 C37	G22-I24 PolarHBondContact O-N 3.21Å; I24-R26 HydrophobicContact CG2-CG 4.2Å; I24-S36 CarbonylContact O-C 3.54Å; I24-S36 WeakPolarHBondContact O-CA 3.44Å; I24-C37 HydrophobicContact CB-CB 4.36Å; I24-C37 PolarHBondContact O-N 3.35Å
25	Y	97.1	Very high	78.5	Confident	91 Å²	91	73.5 Å²	73.5	36%	0.357	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.1	173.3	-61.3	-84.7	0	0	0	110.4	M23 R34 V35 G66 N68	M23-Y25 HydrophobicContact CB-CE2 4.2Å; M23-Y25 HydrophobicContact CG-CE1 4.21Å; M23-Y25 HydrophobicContact CG-CE2 4.19Å; Y25-R34 PolarHBondContact O-NH2 2.68Å; Y25-V35 CarbonylContact C-O 3.52Å; Y25-V35 VanDerWaalsContact CA-O 3.27Å; Y25-V35 WeakPolarHBondContact CA-O 3.39Å; Y25-G66 WeakPolarHBondContact CE1-O 3.44Å; Y25-G66 VanDerWaalsContact CZ-O 3.31Å; Y25-G66 WeakPolarHBondContact OH-CA 3.45Å; Y25-G66 PolarHBondContact OH-O 2.63Å; Y25-N68 HydrophobicContact CE1-CB 4.45Å
26	R	96.9	Very high	81.6	Confident	49 Å²	49	66.1 Å²	66.1	19%	0.185	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.3	179.7	-57.8	-178.3	-177.6	171.7	1.8	110.1	I24 R34 V35 V303 E326	I24-R26 HydrophobicContact CG2-CG 4.2Å; R26-R34 CarbonylContact O-C 3.53Å; R26-R34 VanDerWaalsContact O-CA 3.27Å; R26-R34 WeakPolarHBondContact O-CA 3.27Å; R26-V35 PolarHBondContact N-O 2.81Å; R26-V35 PolarHBondContact O-N 2.67Å; R26-V303 PolarHBondContact NH1-O 3.29Å; R26-E326 IonicContact CZ-OE1 2.96Å; R26-E326 IonicContact NH1-OE1 2.86Å; R26-E326 IonicContact NH2-OE1 3.5Å; R26-E326 PolarHBondContact NH2-OE1 2.89Å; R26-E326 IonicContact NH2-OE2 3.96Å
27	N	98.7	Very high	84.5	Confident	64 Å²	64	54.9 Å²	54.9	34%	0.342	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.1	169.2	-72	73.1	0	0	0	109.9	G29 S31 L33 R34 S304	N27-G29 WeakPolarHBondContact CB-O 3.39Å; N27-G29 PolarHBondContact O-N 2.85Å; N27-S31 PolarHBondContact ND2-O 3.18Å; N27-L33 CarbonylContact C-O 3.54Å; N27-L33 WeakPolarHBondContact CA-O 3.47Å; N27-R34 PolarHBondContact OD1-NH1 2.87Å; N27-S304 PolarHBondContact O-OG 3.1Å
28	L	98.8	Very high	87.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-80.4	98.3	170.5	-172.6	60.1	0	0	0	108.8	S31 L33 V35 V140 I197 C198 M227	L28-S31 WeakPolarHBondContact O-CB 3.37Å; L28-S31 PolarHBondContact O-N 3.23Å; L28-S31 PolarHBondContact O-OG 3.08Å; L28-L33 HydrophobicContact CD2-CD2 4.11Å; L28-L33 PolarHBondContact N-O 3.29Å; L28-V35 HydrophobicContact CB-CG1 4.41Å; L28-V35 HydrophobicContact CB-CG2 4.34Å; L28-V35 HydrophobicContact CD1-CG2 4.44Å; L28-V140 HydrophobicContact CD2-CG2 4.23Å; L28-I197 HydrophobicContact CD2-CD1 3.94Å; L28-I197 HydrophobicContact CG-CD1 4.41Å; L28-C198 HydrophobicContact CD1-CB 4.16Å; L28-C198 HydrophobicContact CD2-CB 3.9Å; L28-C198 HydrophobicContact CG-CB 3.94Å; L28-M227 HydrophobicContact CD1-CB 4.34Å; L28-M227 HydrophobicContact CD1-CE 4.02Å; L28-M227 HydrophobicContact CD2-CE 3.85Å
29	G	98.3	Very high	90.3	Very high	6 Å²	6	39.5 Å²	39.5	6%	0.062	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-143	-168	0	0	0	0	0	111.9	N27 S31 S304	N27-G29 WeakPolarHBondContact CB-O 3.39Å; N27-G29 PolarHBondContact O-N 2.85Å; G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S304 PolarHBondContact N-OG 3.23Å
30	K	98.6	Very high	93.1	Very high	129 Å²	129	37.5 Å²	37.5	56%	0.561	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	5.3	173.7	-67.6	-173.4	-176.2	169.3	0	113.5	F219 H220 G223	K30-F219 WeakPolarHBondContact CE-O 3.33Å; K30-F219 HydrophobicContact CG-CD2 4.47Å; K30-F219 HydrophobicContact CG-CE2 3.83Å; K30-F219 HydrophobicContact CG-CZ 4.04Å; K30-F219 PolarHBondContact NZ-O 2.91Å; K30-H220 PolarHBondContact NZ-O 3.25Å; K30-H220 VanDerWaalsContact NZ-O 3.16Å; K30-G223 PolarHBondContact N-O 3.11Å
31	S	98.8	Very high	95.4	Very high	16 Å²	16	34.4 Å²	34.4	11%	0.112	19%	0.19	C	C	.	.	S	Bend	trans	-71.5	166.1	177.3	79.7	0	0	0	0	111.9	N27 L28 G29 L33	N27-S31 PolarHBondContact ND2-O 3.18Å; L28-S31 WeakPolarHBondContact O-CB 3.37Å; L28-S31 PolarHBondContact O-N 3.23Å; L28-S31 PolarHBondContact O-OG 3.08Å; G29-S31 VanDerWaalsContact C-N 3.28Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 3.42Å; S31-L33 PolarHBondContact OG-N 3.29Å
32	G	98.8	Very high	97.4	Very high	62 Å²	62	33.3 Å²	33.3	64%	0.639	18%	0.184	S	C	*	.	S	Bend	trans	-77	-9.2	173.5	0	0	0	0	0	114.6	R34	G32-R34 PolarHBondContact O-N 3.33Å
33	L	98.9	Very high	98	Very high	20 Å²	20	34.2 Å²	34.2	11%	0.105	17%	0.171	C	C	.	.			trans	-72.2	119.6	-176.4	-177.5	63.2	0	0	0	110.2	N27 L28 S31 V35 V100 V140 Y170 I197	N27-L33 CarbonylContact C-O 3.54Å; N27-L33 WeakPolarHBondContact CA-O 3.47Å; L28-L33 HydrophobicContact CD2-CD2 4.11Å; L28-L33 PolarHBondContact N-O 3.29Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 3.42Å; S31-L33 PolarHBondContact OG-N 3.29Å; L33-V35 HydrophobicContact CG-CG1 4.36Å; L33-V100 HydrophobicContact CD1-CG1 4.38Å; L33-V100 HydrophobicContact CD1-CG2 3.98Å; L33-V100 HydrophobicContact CD2-CG1 4.01Å; L33-V100 HydrophobicContact CG-CG1 4.5Å; L33-V140 HydrophobicContact CD2-CG2 3.76Å; L33-Y170 HydrophobicContact CB-CD2 4.43Å; L33-Y170 HydrophobicContact CB-CE2 3.93Å; L33-Y170 HydrophobicContact CD1-CE2 4.41Å; L33-Y170 HydrophobicContact CD2-CD2 4.04Å; L33-Y170 HydrophobicContact CD2-CE2 4.24Å; L33-Y170 HydrophobicContact CG-CE2 4.43Å; L33-I197 HydrophobicContact CD2-CD1 4.41Å
34	R	98.8	Very high	98	Very high	126 Å²	126	33.9 Å²	33.9	48%	0.475	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.8	175.9	-66.2	-168.9	69.3	91.7	-7.1	111.5	Y25 R26 N27 G32 N68	Y25-R34 PolarHBondContact O-NH2 2.68Å; R26-R34 CarbonylContact O-C 3.53Å; R26-R34 VanDerWaalsContact O-CA 3.27Å; R26-R34 WeakPolarHBondContact O-CA 3.27Å; N27-R34 PolarHBondContact OD1-NH1 2.87Å; G32-R34 PolarHBondContact O-N 3.33Å; R34-N68 PolarHBondContact O-ND2 2.85Å
35	V	98.8	Very high	98.2	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	-116.2	148.9	177.7	-64.1	0	0	0	0	110.4	Y25 R26 L28 L33 N68 L69 V100	Y25-V35 CarbonylContact C-O 3.52Å; Y25-V35 VanDerWaalsContact CA-O 3.27Å; Y25-V35 WeakPolarHBondContact CA-O 3.39Å; R26-V35 PolarHBondContact N-O 2.81Å; R26-V35 PolarHBondContact O-N 2.67Å; L28-V35 HydrophobicContact CB-CG1 4.41Å; L28-V35 HydrophobicContact CB-CG2 4.34Å; L28-V35 HydrophobicContact CD1-CG2 4.44Å; L33-V35 HydrophobicContact CG-CG1 4.36Å; V35-N68 WeakPolarHBondContact CA-OD1 3.47Å; V35-L69 HydrophobicContact CB-CB 4.47Å; V35-L69 HydrophobicContact CB-CD2 4.44Å; V35-L69 HydrophobicContact CG1-CD1 4.41Å; V35-V100 HydrophobicContact CG1-CB 4.49Å; V35-V100 HydrophobicContact CG1-CG1 4.05Å; V35-V100 HydrophobicContact CG1-CG2 4.35Å
36	S	98.7	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.2	164.1	44.7	0	0	0	0	109.9	I24 L38 I67 N68 S305	I24-S36 CarbonylContact O-C 3.54Å; I24-S36 WeakPolarHBondContact O-CA 3.44Å; S36-L38 VanDerWaalsContact CB-O 3.25Å; S36-L38 WeakPolarHBondContact CB-O 3.27Å; S36-L38 PolarHBondContact O-N 2.86Å; S36-L38 PolarHBondContact OG-O 3.49Å; S36-I67 WeakPolarHBondContact OG-CA 3.46Å; S36-N68 PolarHBondContact N-OD1 3.33Å; S36-N68 PolarHBondContact OG-N 2.62Å; S36-N68 PolarHBondContact OG-OD1 3.29Å; S36-S305 WeakPolarHBondContact O-CB 3.38Å; S36-S305 PolarHBondContact O-OG 2.79Å; S36-S305 VanDerWaalsContact O-OG 3.09Å
37	C	98.1	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-64.7	-20.6	177.9	65.6	0	0	0	0	112.5	I24 L298 S305 V306	I24-C37 HydrophobicContact CB-CB 4.36Å; I24-C37 PolarHBondContact O-N 3.35Å; C37-L298 HydrophobicContact CB-CD1 4.3Å; C37-L298 HydrophobicContact CB-CD2 3.91Å; C37-L298 WeakPolarHBondContact O-CD2 3.14Å; C37-S305 CarbonylContact O-C 3.53Å; C37-S305 WeakPolarHBondContact O-CA 3.33Å; C37-S305 PolarHBondContact O-OG 3.36Å; C37-V306 PolarHBondContact O-N 2.8Å
38	L	98.7	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.6	168	-60.9	179.6	0	0	0	109.8	S36 I67 I294 L298 V306 L308 I323	S36-L38 VanDerWaalsContact CB-O 3.25Å; S36-L38 WeakPolarHBondContact CB-O 3.27Å; S36-L38 PolarHBondContact O-N 2.86Å; S36-L38 PolarHBondContact OG-O 3.49Å; L38-I67 HydrophobicContact CB-CD1 4.1Å; L38-I67 HydrophobicContact CB-CG1 4.35Å; L38-I67 WeakPolarHBondContact O-CG2 3.36Å; L38-I294 HydrophobicContact CD2-CG2 3.69Å; L38-L298 HydrophobicContact CD2-CD1 3.71Å; L38-L298 HydrophobicContact CG-CD1 4.28Å; L38-V306 WeakPolarHBondContact CA-O 3.45Å; L38-V306 HydrophobicContact CD2-CB 4.09Å; L38-L308 HydrophobicContact CB-CD1 4.31Å; L38-L308 HydrophobicContact CD1-CD1 4.2Å; L38-L308 HydrophobicContact CD2-CD2 4.18Å; L38-L308 HydrophobicContact CD2-CG 4.42Å; L38-I323 HydrophobicContact CD1-CD1 3.8Å; L38-I323 HydrophobicContact CD1-CG1 3.73Å; L38-I323 HydrophobicContact CG-CD1 4.42Å; L38-I323 HydrophobicContact CG-CG1 4.39Å
39	G	98.8	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.6	169	0	0	0	0	0	111.1	L69 S305 V306 L308	G39-L69 CarbonylContact C-O 3.54Å; G39-L69 VanDerWaalsContact CA-O 3.22Å; G39-L69 WeakPolarHBondContact CA-O 3.38Å; G39-S305 PolarHBondContact N-OG 2.85Å; G39-V306 PolarHBondContact N-O 3.05Å; G39-L308 WeakPolarHBondContact O-CB 3.49Å; G39-L308 PolarHBondContact O-N 3.49Å
40	L	98.9	Very high	97.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.7	175.8	-179.7	63.4	0	0	0	110.5	F46 L58 A62 L69 F70 D71 L316	L40-F46 HydrophobicContact CD2-CZ 4.37Å; L40-L58 HydrophobicContact CD2-CB 4.29Å; L40-A62 HydrophobicContact CB-CB 4.39Å; L40-A62 HydrophobicContact CD2-CB 4Å; L40-L69 PolarHBondContact N-O 3.19Å; L40-F70 HydrophobicContact CB-CD1 3.99Å; L40-F70 HydrophobicContact CB-CE1 4.23Å; L40-F70 HydrophobicContact CD2-CD1 4.37Å; L40-F70 HydrophobicContact CD2-CE1 4.33Å; L40-F70 WeakPolarHBondContact O-CA 3.47Å; L40-D71 PolarHBondContact O-N 2.84Å; L40-L316 HydrophobicContact CD1-CD1 4.25Å
41	G	98.6	Very high	97.8	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	149.7	173.6	0	0	0	0	0	112.7	D71 L308	G41-D71 WeakPolarHBondContact CA-O 3.22Å; G41-L308 PolarHBondContact N-O 3.31Å
42	T	98.5	Very high	97.8	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	18%	0.177	C	C	.	.			trans	-100.7	-1.5	-177.3	63.9	0	0	0	0	114.5	V44 T45 F46 D71 T72 Y76 L85	T42-V44 PolarHBondContact O-N 3.02Å; T42-T45 PolarHBondContact O-N 2.92Å; T42-T45 PolarHBondContact O-OG1 2.82Å; T42-F46 HydrophobicContact CG2-CB 4.25Å; T42-F46 HydrophobicContact CG2-CD1 3.91Å; T42-F46 HydrophobicContact CG2-CD2 3.69Å; T42-F46 HydrophobicContact CG2-CE1 4.19Å; T42-F46 HydrophobicContact CG2-CE2 3.99Å; T42-F46 HydrophobicContact CG2-CG 3.68Å; T42-F46 HydrophobicContact CG2-CZ 4.24Å; T42-F46 PolarHBondContact O-N 3.14Å; T42-D71 WeakPolarHBondContact CG2-O 3.39Å; T42-D71 PolarHBondContact N-O 3.04Å; T42-D71 PolarHBondContact OG1-O 3.26Å; T42-D71 VanDerWaalsContact OG1-O 3.12Å; T42-T72 VanDerWaalsContact OG1-CA 3.29Å; T42-T72 WeakPolarHBondContact OG1-CA 3.38Å; T42-T72 VanDerWaalsContact OG1-CB 3.26Å; T42-T72 WeakPolarHBondContact OG1-CB 3.31Å; T42-T72 PolarHBondContact OG1-OG1 3.35Å; T42-Y76 WeakPolarHBondContact OG1-CD2 3.47Å; T42-L85 HydrophobicContact CG2-CD2 4.49Å
43	W	97.5	Very high	97.8	Very high	71 Å²	71	32.7 Å²	32.7	27%	0.269	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	134.8	-176.9	-176.7	45.8	0	0	0	112	T45 Y76 Y256 W258	W43-T45 PolarHBondContact O-N 3.17Å; W43-Y76 HydrophobicContact CB-CD1 4.46Å; W43-Y76 HydrophobicContact CB-CD2 4.07Å; W43-Y76 HydrophobicContact CB-CE1 4.07Å; W43-Y76 HydrophobicContact CB-CE2 3.64Å; W43-Y76 HydrophobicContact CB-CG 4.48Å; W43-Y76 AromaticContact CD1-CD1 3.55Å; W43-Y76 AromaticContact CD1-CE1 3.42Å; W43-Y76 VanDerWaalsContact CD1-CE1 3.42Å; W43-Y76 AromaticContact CD1-CZ 3.93Å; W43-Y76 HydrophobicContact CG-CD1 4.29Å; W43-Y76 AromaticContact CG-CE1 3.88Å; W43-Y76 HydrophobicContact CG-CE1 3.88Å; W43-Y76 HydrophobicContact CG-CE2 4.35Å; W43-Y76 AromaticContact CG-CZ 3.91Å; W43-Y256 HydrophobicContact CZ2-CE1 4.19Å; W43-W258 HydrophobicContact CH2-CH2 4.16Å; W43-W258 AromaticContact CH2-CZ2 4Å; W43-W258 HydrophobicContact CH2-CZ2 4Å; W43-W258 HydrophobicContact CZ2-CZ2 4.27Å
44	V	94.8	Very high	97.8	Very high	16 Å²	16	34.1 Å²	34.1	10%	0.097	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-36.2	-176.3	-169.8	0	0	0	0	113.8	T42 Q49 R250 L253 Y256	T42-V44 PolarHBondContact O-N 3.02Å; V44-Q49 HydrophobicContact CG1-CB 4.31Å; V44-Q49 VanDerWaalsContact O-CB 3.25Å; V44-Q49 WeakPolarHBondContact O-CB 3.32Å; V44-Q49 PolarHBondContact O-N 3.03Å; V44-R250 HydrophobicContact CG1-CG 4.27Å; V44-R250 VanDerWaalsContact CG2-CZ 3.41Å; V44-L253 HydrophobicContact CG1-CD1 3.77Å; V44-Y256 HydrophobicContact CG1-CE1 4.25Å; V44-Y256 HydrophobicContact CG1-CE2 4.11Å; V44-Y256 WeakPolarHBondContact CG1-OH 3.49Å; V44-Y256 HydrophobicContact CG2-CE1 3.71Å; V44-Y256 WeakPolarHBondContact CG2-OH 3.25Å
45	T	96.8	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.16	C	C	.	.	I	π-helix	trans	-88.1	-68	-165.6	47	0	0	0	0	112.1	T42 W43 G47 G48 Q49 I50 A310	T42-T45 PolarHBondContact O-N 2.92Å; T42-T45 PolarHBondContact O-OG1 2.82Å; W43-T45 PolarHBondContact O-N 3.17Å; T45-G47 PolarHBondContact O-N 2.62Å; T45-G48 CarbonylContact O-C 3.55Å; T45-G48 PolarHBondContact O-N 3.17Å; T45-G48 VanDerWaalsContact O-N 3.1Å; T45-Q49 PolarHBondContact O-N 3.46Å; T45-Q49 VanDerWaalsContact O-N 3.1Å; T45-I50 WeakPolarHBondContact O-CG1 3.49Å; T45-I50 PolarHBondContact O-N 3.23Å; T45-A310 WeakPolarHBondContact CG2-O 3.43Å
46	F	98.2	Very high	97.8	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	17%	0.17	C	C	.	.	I	π-helix	trans	-68.1	133.7	-170.7	-72.1	44.4	0	0	0	110.6	L40 T42 G48 I50 A55 A81 V84 I88	L40-F46 HydrophobicContact CD2-CZ 4.37Å; T42-F46 HydrophobicContact CG2-CB 4.25Å; T42-F46 HydrophobicContact CG2-CD1 3.91Å; T42-F46 HydrophobicContact CG2-CD2 3.69Å; T42-F46 HydrophobicContact CG2-CE1 4.19Å; T42-F46 HydrophobicContact CG2-CE2 3.99Å; T42-F46 HydrophobicContact CG2-CG 3.68Å; T42-F46 HydrophobicContact CG2-CZ 4.24Å; T42-F46 PolarHBondContact O-N 3.14Å; F46-G48 PolarHBondContact O-N 3.28Å; F46-I50 HydrophobicContact CD1-CD1 4.25Å; F46-I50 HydrophobicContact CE1-CD1 4.37Å; F46-A55 HydrophobicContact CD1-CB 4.12Å; F46-A55 HydrophobicContact CD2-CB 3.77Å; F46-A55 HydrophobicContact CE1-CB 4.07Å; F46-A55 HydrophobicContact CE2-CB 3.72Å; F46-A55 HydrophobicContact CG-CB 3.96Å; F46-A55 HydrophobicContact CZ-CB 3.86Å; F46-A81 HydrophobicContact CB-CB 4.01Å; F46-V84 HydrophobicContact CB-CB 4.43Å; F46-V84 HydrophobicContact CB-CG1 4.38Å; F46-V84 HydrophobicContact CD2-CB 4.28Å; F46-V84 HydrophobicContact CD2-CG1 3.74Å; F46-V84 HydrophobicContact CE2-CG1 4.44Å; F46-V84 HydrophobicContact CG-CG1 4.39Å; F46-I88 HydrophobicContact CD2-CD1 4.41Å; F46-I88 HydrophobicContact CE2-CD1 3.82Å
47	G	95.4	Very high	97.8	Very high	21 Å²	21	34.4 Å²	34.4	22%	0.216	19%	0.19	C	C	.	.	I	π-helix	trans	65	12.6	-176.6	0	0	0	0	0	114.4	T45 A77	T45-G47 PolarHBondContact O-N 2.62Å; G47-A77 WeakPolarHBondContact O-CB 3.33Å
48	G	95.6	Very high	97.8	Very high	50 Å²	50	34.4 Å²	34.4	52%	0.515	19%	0.19	S	C	.	.	I	π-helix	trans	-140.3	-100.4	-171.9	0	0	0	0	0	112.5	T45 F46 I50	T45-G48 CarbonylContact O-C 3.55Å; T45-G48 PolarHBondContact O-N 3.17Å; T45-G48 VanDerWaalsContact O-N 3.1Å; F46-G48 PolarHBondContact O-N 3.28Å; G48-I50 PolarHBondContact O-N 2.91Å
49	Q	95.3	Very high	97.8	Very high	55 Å²	55	34.4 Å²	34.4	26%	0.257	19%	0.19	S	C	.	.	I	π-helix	trans	-65.8	-34.3	-173.3	-178.2	-174.2	13.2	0	0	113.8	V44 T45 Y248 L253	V44-Q49 HydrophobicContact CG1-CB 4.31Å; V44-Q49 VanDerWaalsContact O-CB 3.25Å; V44-Q49 WeakPolarHBondContact O-CB 3.32Å; V44-Q49 PolarHBondContact O-N 3.03Å; T45-Q49 PolarHBondContact O-N 3.46Å; T45-Q49 VanDerWaalsContact O-N 3.1Å; Q49-Y248 PolarHBondContact NE2-O 3.12Å; Q49-L253 HydrophobicContact CB-CD1 4.17Å; Q49-L253 HydrophobicContact CG-CD1 3.89Å; Q49-L253 HydrophobicContact CG-CD2 4.36Å
50	I	97.6	Very high	97.8	Very high	20 Å²	20	35.5 Å²	35.5	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	-113.7	160	-175.1	65.8	171.9	0	0	0	110.8	T45 F46 G48 M54 A55 L58 S311	T45-I50 WeakPolarHBondContact O-CG1 3.49Å; T45-I50 PolarHBondContact O-N 3.23Å; F46-I50 HydrophobicContact CD1-CD1 4.25Å; F46-I50 HydrophobicContact CE1-CD1 4.37Å; G48-I50 PolarHBondContact O-N 2.91Å; I50-M54 HydrophobicContact CB-CB 4.16Å; I50-M54 HydrophobicContact CB-CG 4.08Å; I50-M54 HydrophobicContact CD1-CB 4.3Å; I50-M54 HydrophobicContact CD1-CG 4.01Å; I50-M54 HydrophobicContact CG2-CG 4.35Å; I50-A55 HydrophobicContact CD1-CB 3.97Å; I50-A55 HydrophobicContact CG1-CB 4.48Å; I50-L58 HydrophobicContact CD1-CD1 3.6Å; I50-S311 VanDerWaalsContact CG2-O 3.3Å; I50-S311 WeakPolarHBondContact CG2-O 3.43Å
51	T	98.4	Very high	97.8	Very high	80 Å²	80	37.4 Å²	37.4	49%	0.491	21%	0.206	S	C	.	.			trans	-74.2	162.3	173.7	78.5	0	0	0	0	111.3	E53 M54 A55	T51-E53 VanDerWaalsContact C-N 3.25Å; T51-E53 WeakPolarHBondContact CB-OE2 3.41Å; T51-E53 PolarHBondContact O-N 3.33Å; T51-E53 PolarHBondContact OG1-OE2 3.48Å; T51-M54 PolarHBondContact O-N 2.94Å; T51-M54 PolarHBondContact OG1-N 3.27Å; T51-A55 PolarHBondContact O-N 2.75Å
52	D	98.6	Very high	97.8	Very high	77 Å²	77	37 Å²	37	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-31.2	178.5	-69.9	7	0	0	0	111.5	A55 E56 V84	D52-A55 WeakPolarHBondContact O-CB 3.4Å; D52-A55 PolarHBondContact O-N 2.79Å; D52-E56 WeakPolarHBondContact O-CB 3.4Å; D52-E56 PolarHBondContact O-N 2.75Å; D52-V84 HydrophobicContact CB-CG1 4.45Å; D52-V84 WeakPolarHBondContact OD1-CG2 3.4Å
53	E	98.6	Very high	97.8	Very high	132 Å²	132	39.2 Å²	39.2	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-66.3	-41.9	174.5	-58	73.4	-158.5	0	0	111.6	T51 A55 E56 Q57	T51-E53 VanDerWaalsContact C-N 3.25Å; T51-E53 WeakPolarHBondContact CB-OE2 3.41Å; T51-E53 PolarHBondContact O-N 3.33Å; T51-E53 PolarHBondContact OG1-OE2 3.48Å; E53-A55 VanDerWaalsContact C-N 3.34Å; E53-E56 PolarHBondContact O-N 2.87Å; E53-Q57 WeakPolarHBondContact O-CB 3.42Å; E53-Q57 PolarHBondContact O-N 3.04Å
54	M	98.6	Very high	97.8	Very high	50 Å²	50	41.1 Å²	41.1	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-39.3	174.4	-177.4	57.5	61.1	0	0	110.6	I50 T51 E56 Q57 L58	I50-M54 HydrophobicContact CB-CB 4.16Å; I50-M54 HydrophobicContact CB-CG 4.08Å; I50-M54 HydrophobicContact CD1-CB 4.3Å; I50-M54 HydrophobicContact CD1-CG 4.01Å; I50-M54 HydrophobicContact CG2-CG 4.35Å; T51-M54 PolarHBondContact O-N 2.94Å; T51-M54 PolarHBondContact OG1-N 3.27Å; M54-E56 VanDerWaalsContact C-N 3.34Å; M54-E56 PolarHBondContact O-N 2.71Å; M54-Q57 PolarHBondContact O-N 3.26Å; M54-L58 HydrophobicContact CG-CD1 4.4Å; M54-L58 HydrophobicContact CG-CG 4.48Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.49Å; M54-L58 PolarHBondContact O-N 3.42Å; M54-L58 HydrophobicContact SD-CG 4.36Å
55	A	98.8	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-43	175	0	0	0	0	0	111.9	F46 I50 T51 D52 E53 L58 M59 V84 I88	F46-A55 HydrophobicContact CD1-CB 4.12Å; F46-A55 HydrophobicContact CD2-CB 3.77Å; F46-A55 HydrophobicContact CE1-CB 4.07Å; F46-A55 HydrophobicContact CE2-CB 3.72Å; F46-A55 HydrophobicContact CG-CB 3.96Å; F46-A55 HydrophobicContact CZ-CB 3.86Å; I50-A55 HydrophobicContact CD1-CB 3.97Å; I50-A55 HydrophobicContact CG1-CB 4.48Å; T51-A55 PolarHBondContact O-N 2.75Å; D52-A55 WeakPolarHBondContact O-CB 3.4Å; D52-A55 PolarHBondContact O-N 2.79Å; E53-A55 VanDerWaalsContact C-N 3.34Å; A55-L58 PolarHBondContact O-N 2.93Å; A55-M59 WeakPolarHBondContact O-CB 3.22Å; A55-M59 PolarHBondContact O-N 2.81Å; A55-V84 HydrophobicContact CB-CG1 3.68Å; A55-I88 HydrophobicContact CB-CD1 4.01Å
56	E	98.8	Very high	98	Very high	44 Å²	44	42.7 Å²	42.7	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-43.2	173.6	-177.5	179.1	155.4	0	0	112.1	D52 E53 M54 M59 T60 I88 K91 K92	D52-E56 WeakPolarHBondContact O-CB 3.4Å; D52-E56 PolarHBondContact O-N 2.75Å; E53-E56 PolarHBondContact O-N 2.87Å; M54-E56 VanDerWaalsContact C-N 3.34Å; M54-E56 PolarHBondContact O-N 2.71Å; E56-M59 PolarHBondContact O-N 2.86Å; E56-T60 VanDerWaalsContact O-CB 3.28Å; E56-T60 WeakPolarHBondContact O-CB 3.33Å; E56-T60 PolarHBondContact O-N 3.21Å; E56-T60 PolarHBondContact O-OG1 2.86Å; E56-I88 HydrophobicContact CB-CD1 4.23Å; E56-I88 HydrophobicContact CB-CG1 3.98Å; E56-I88 HydrophobicContact CG-CG1 4.4Å; E56-I88 HydrophobicContact CG-CG2 4.23Å; E56-K91 IonicContact OE1-NZ 3.82Å; E56-K91 PolarHBondContact OE1-NZ 3.41Å; E56-K91 WeakPolarHBondContact OE2-CD 3.31Å; E56-K91 IonicContact OE2-NZ 3.46Å; E56-K91 PolarHBondContact OE2-NZ 3.49Å; E56-K92 HydrophobicContact CG-CD 4.49Å
57	Q	98.8	Very high	98.1	Very high	89 Å²	89	42.6 Å²	42.6	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-47.4	177.2	-174.6	179.8	3.7	0	0	111	E53 M54 T60 L61	E53-Q57 WeakPolarHBondContact O-CB 3.42Å; E53-Q57 PolarHBondContact O-N 3.04Å; M54-Q57 PolarHBondContact O-N 3.26Å; Q57-T60 PolarHBondContact O-N 2.87Å; Q57-L61 HydrophobicContact CG-CD1 4.2Å; Q57-L61 WeakPolarHBondContact O-CB 3.28Å; Q57-L61 WeakPolarHBondContact O-CG 3.22Å; Q57-L61 PolarHBondContact O-N 3.33Å
58	L	98.9	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-46.6	177.8	-69.2	177	0	0	0	112	L40 I50 M54 A55 T60 L61 A62 A310 N312 L316	L40-L58 HydrophobicContact CD2-CB 4.29Å; I50-L58 HydrophobicContact CD1-CD1 3.6Å; M54-L58 HydrophobicContact CG-CD1 4.4Å; M54-L58 HydrophobicContact CG-CG 4.48Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.49Å; M54-L58 PolarHBondContact O-N 3.42Å; M54-L58 HydrophobicContact SD-CG 4.36Å; A55-L58 PolarHBondContact O-N 2.93Å; L58-T60 VanDerWaalsContact C-N 3.33Å; L58-T60 PolarHBondContact O-N 3.05Å; L58-L61 PolarHBondContact O-N 2.98Å; L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.48Å; L58-A310 VanDerWaalsContact CD1-O 3.31Å; L58-A310 WeakPolarHBondContact CD1-O 3.34Å; L58-A310 HydrophobicContact CD2-CB 4.22Å; L58-N312 WeakPolarHBondContact CD2-O 3.25Å; L58-L316 HydrophobicContact CB-CD2 4.09Å; L58-L316 HydrophobicContact CD2-CB 3.8Å; L58-L316 HydrophobicContact CD2-CD2 3.76Å; L58-L316 HydrophobicContact CD2-CG 4.44Å; L58-L316 WeakPolarHBondContact O-CD2 3.38Å
59	M	98.8	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-37.3	179.7	-165.2	179.7	-178.8	0	0	111.9	A55 E56 A62 Y63 F70 L85 I88 I89 W94	A55-M59 WeakPolarHBondContact O-CB 3.22Å; A55-M59 PolarHBondContact O-N 2.81Å; E56-M59 PolarHBondContact O-N 2.86Å; M59-A62 PolarHBondContact O-N 2.74Å; M59-Y63 WeakPolarHBondContact O-CB 3.4Å; M59-Y63 PolarHBondContact O-N 2.96Å; M59-F70 HydrophobicContact CE-CB 4.46Å; M59-F70 HydrophobicContact CE-CD1 3.78Å; M59-F70 HydrophobicContact CE-CD2 3.98Å; M59-F70 HydrophobicContact CE-CE1 3.96Å; M59-F70 HydrophobicContact CE-CE2 4.16Å; M59-F70 HydrophobicContact CE-CG 3.79Å; M59-F70 HydrophobicContact CE-CZ 4.15Å; M59-F70 HydrophobicContact CG-CD1 3.87Å; M59-F70 HydrophobicContact CG-CE1 3.51Å; M59-F70 HydrophobicContact CG-CZ 4.16Å; M59-F70 HydrophobicContact SD-CD1 4.48Å; M59-L85 HydrophobicContact CE-CD1 3.46Å; M59-L85 VanDerWaalsContact CE-CD1 3.46Å; M59-L85 HydrophobicContact SD-CD1 3.45Å; M59-L85 WeakPolarHBondContact SD-CD1 3.46Å; M59-I88 HydrophobicContact CB-CG2 4.11Å; M59-I88 HydrophobicContact CG-CG2 4.22Å; M59-I88 HydrophobicContact SD-CB 3.89Å; M59-I88 HydrophobicContact SD-CD1 4.37Å; M59-I88 HydrophobicContact SD-CG2 3.44Å; M59-I88 WeakPolarHBondContact SD-CG2 3.3Å; M59-I89 HydrophobicContact CE-CD1 4.17Å; M59-I89 HydrophobicContact CE-CG1 3.63Å; M59-I89 HydrophobicContact SD-CG1 4.44Å; M59-W94 HydrophobicContact CB-CH2 4.48Å; M59-W94 HydrophobicContact CE-CE3 4.29Å; M59-W94 HydrophobicContact CE-CZ3 3.74Å; M59-W94 HydrophobicContact CG-CH2 4.03Å; M59-W94 HydrophobicContact CG-CZ3 3.81Å; M59-W94 HydrophobicContact SD-CZ3 3.8Å
60	T	98.8	Very high	98.6	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.141	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-49.8	175	-61.8	0	0	0	0	110.7	E56 Q57 L58 A62 Y63 D64 K92	E56-T60 VanDerWaalsContact O-CB 3.28Å; E56-T60 WeakPolarHBondContact O-CB 3.33Å; E56-T60 PolarHBondContact O-N 3.21Å; E56-T60 PolarHBondContact O-OG1 2.86Å; Q57-T60 PolarHBondContact O-N 2.87Å; L58-T60 VanDerWaalsContact C-N 3.33Å; L58-T60 PolarHBondContact O-N 3.05Å; T60-A62 VanDerWaalsContact C-N 3.3Å; T60-A62 PolarHBondContact O-N 2.6Å; T60-Y63 PolarHBondContact O-N 3.45Å; T60-D64 VanDerWaalsContact CG2-OD2 3.3Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.33Å; T60-D64 WeakPolarHBondContact O-CB 3.36Å; T60-D64 PolarHBondContact O-N 3.16Å; T60-K92 PolarHBondContact OG1-NZ 3.42Å
61	L	98.6	Very high	98.6	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-42.1	177.1	-73.7	170.7	0	0	0	112.1	Q57 L58 N65 A313 L316 M317	Q57-L61 HydrophobicContact CG-CD1 4.2Å; Q57-L61 WeakPolarHBondContact O-CB 3.28Å; Q57-L61 WeakPolarHBondContact O-CG 3.22Å; Q57-L61 PolarHBondContact O-N 3.33Å; L58-L61 PolarHBondContact O-N 2.98Å; L61-N65 WeakPolarHBondContact O-CB 3.15Å; L61-N65 PolarHBondContact O-N 3.34Å; L61-N65 VanDerWaalsContact O-N 3.14Å; L61-N65 PolarHBondContact O-ND2 3.49Å; L61-A313 HydrophobicContact CD1-CB 3.62Å; L61-L316 HydrophobicContact CB-CD2 4Å; L61-M317 HydrophobicContact CB-SD 4.39Å; L61-M317 HydrophobicContact CD1-CG 4.33Å; L61-M317 HydrophobicContact CD1-SD 4.45Å; L61-M317 HydrophobicContact CD2-SD 4.01Å
62	A	98.6	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-53.4	176.1	0	0	0	0	0	111.2	L40 L58 M59 T60 D64 N65 G66 I67 F70 L316	L40-A62 HydrophobicContact CB-CB 4.39Å; L40-A62 HydrophobicContact CD2-CB 4Å; L58-A62 WeakPolarHBondContact O-CB 3.36Å; L58-A62 PolarHBondContact O-N 3.48Å; M59-A62 PolarHBondContact O-N 2.74Å; T60-A62 VanDerWaalsContact C-N 3.3Å; T60-A62 PolarHBondContact O-N 2.6Å; A62-D64 PolarHBondContact O-N 2.97Å; A62-N65 CarbonylContact O-C 3.35Å; A62-N65 PolarHBondContact O-N 2.88Å; A62-G66 PolarHBondContact O-N 3.23Å; A62-I67 HydrophobicContact CB-CB 3.97Å; A62-I67 HydrophobicContact CB-CD1 3.92Å; A62-I67 HydrophobicContact CB-CG1 4.39Å; A62-I67 HydrophobicContact CB-CG2 4.27Å; A62-I67 VanDerWaalsContact O-CB 3.28Å; A62-I67 WeakPolarHBondContact O-CB 3.46Å; A62-I67 PolarHBondContact O-N 3.05Å; A62-F70 HydrophobicContact CB-CE1 3.92Å; A62-F70 HydrophobicContact CB-CZ 4.35Å; A62-L316 HydrophobicContact CB-CD2 4.31Å
63	Y	98.6	Very high	98.7	Very high	51 Å²	51	29.6 Å²	29.6	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-45.1	-178.8	-173.5	-92.7	0	0	0	112.4	M59 T60 N65 G66 F70 W94 S98 L99	M59-Y63 WeakPolarHBondContact O-CB 3.4Å; M59-Y63 PolarHBondContact O-N 2.96Å; T60-Y63 PolarHBondContact O-N 3.45Å; Y63-N65 PolarHBondContact O-N 3.45Å; Y63-G66 WeakPolarHBondContact O-CA 3.43Å; Y63-G66 PolarHBondContact O-N 3.37Å; Y63-F70 HydrophobicContact CD2-CE2 4.47Å; Y63-F70 HydrophobicContact CD2-CZ 4.49Å; Y63-W94 AromaticContact CD1-CD1 3.81Å; Y63-W94 HydrophobicContact CD1-CD2 4.09Å; Y63-W94 AromaticContact CD1-CE2 3.48Å; Y63-W94 VanDerWaalsContact CD1-CE2 3.48Å; Y63-W94 HydrophobicContact CD1-CG 4.27Å; Y63-W94 AromaticContact CD1-CZ2 3.85Å; Y63-W94 HydrophobicContact CD1-CZ2 3.85Å; Y63-W94 AromaticContact CD1-NE1 3.29Å; Y63-W94 VanDerWaalsContact CD1-NE1 3.29Å; Y63-W94 HydrophobicContact CD2-CD2 4.12Å; Y63-W94 HydrophobicContact CD2-CE3 4.4Å; Y63-W94 HydrophobicContact CD2-CG 4.42Å; Y63-W94 AromaticContact CE1-CD1 3.36Å; Y63-W94 HydrophobicContact CE1-CD2 4.25Å; Y63-W94 AromaticContact CE1-CE2 3.9Å; Y63-W94 AromaticContact CE1-CG 3.93Å; Y63-W94 HydrophobicContact CE1-CG 3.93Å; Y63-W94 AromaticContact CE1-NE1 3.33Å; Y63-W94 VanDerWaalsContact CE1-NE1 3.33Å; Y63-W94 HydrophobicContact CE2-CB 4.33Å; Y63-W94 HydrophobicContact CE2-CD2 4.27Å; Y63-W94 HydrophobicContact CE2-CG 4.09Å; Y63-W94 HydrophobicContact CG-CD2 4.02Å; Y63-W94 AromaticContact CG-CE2 3.66Å; Y63-W94 HydrophobicContact CG-CE3 4.46Å; Y63-W94 HydrophobicContact CG-CG 4.49Å; Y63-W94 HydrophobicContact CG-CH2 4.28Å; Y63-W94 AromaticContact CG-CZ2 3.79Å; Y63-W94 HydrophobicContact CG-CZ2 3.79Å; Y63-W94 AromaticContact CG-NE1 3.96Å; Y63-W94 AromaticContact CZ-CD1 3.64Å; Y63-W94 AromaticContact CZ-CG 3.81Å; Y63-S98 PolarHBondContact OH-OG 3.48Å; Y63-L99 HydrophobicContact CD2-CD2 3.64Å; Y63-L99 HydrophobicContact CE2-CD2 3.59Å; Y63-L99 HydrophobicContact CE2-CG 4.39Å
64	D	98.1	Very high	98.7	Very high	110 Å²	110	23.6 Å²	23.6	59%	0.588	12%	0.122	S	C	*	.	H	α-helix	trans	-66.6	-24.4	-179.2	-67.4	-11.8	0	0	0	112.2	T60 A62 G66	T60-D64 VanDerWaalsContact CG2-OD2 3.3Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.33Å; T60-D64 WeakPolarHBondContact O-CB 3.36Å; T60-D64 PolarHBondContact O-N 3.16Å; A62-D64 PolarHBondContact O-N 2.97Å; D64-G66 VanDerWaalsContact C-N 3.32Å
65	N	97.9	Very high	98.7	Very high	33 Å²	33	23.8 Å²	23.8	18%	0.176	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	13.4	171.4	-74.8	-85.2	0	0	0	113.4	S20 M23 L61 A62 Y63 I320	S20-N65 PolarHBondContact OG-OD1 2.75Å; M23-N65 WeakPolarHBondContact CE-O 3.47Å; L61-N65 WeakPolarHBondContact O-CB 3.15Å; L61-N65 PolarHBondContact O-N 3.34Å; L61-N65 VanDerWaalsContact O-N 3.14Å; L61-N65 PolarHBondContact O-ND2 3.49Å; A62-N65 CarbonylContact O-C 3.35Å; A62-N65 PolarHBondContact O-N 2.88Å; Y63-N65 PolarHBondContact O-N 3.45Å; N65-I320 HydrophobicContact CB-CD1 4.15Å; N65-I320 HydrophobicContact CB-CG2 4.31Å
66	G	98.1	Very high	98.7	Very high	17 Å²	17	25 Å²	25	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	2.2	173	0	0	0	0	0	115.5	Y25 A62 Y63 D64 N68	Y25-G66 WeakPolarHBondContact CE1-O 3.44Å; Y25-G66 VanDerWaalsContact CZ-O 3.31Å; Y25-G66 WeakPolarHBondContact OH-CA 3.45Å; Y25-G66 PolarHBondContact OH-O 2.63Å; A62-G66 PolarHBondContact O-N 3.23Å; Y63-G66 WeakPolarHBondContact O-CA 3.43Å; Y63-G66 PolarHBondContact O-N 3.37Å; D64-G66 VanDerWaalsContact C-N 3.32Å; G66-N68 PolarHBondContact O-N 3.36Å
67	I	98.8	Very high	98.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.138	C	C	.	.			trans	-64.6	120.1	171.9	-64.4	-179.8	0	0	0	108.5	M23 S36 L38 A62 L69 F70 I320	M23-I67 HydrophobicContact CE-CD1 4.41Å; M23-I67 HydrophobicContact CE-CG1 3.48Å; M23-I67 VanDerWaalsContact CE-CG1 3.48Å; S36-I67 WeakPolarHBondContact OG-CA 3.46Å; L38-I67 HydrophobicContact CB-CD1 4.1Å; L38-I67 HydrophobicContact CB-CG1 4.35Å; L38-I67 WeakPolarHBondContact O-CG2 3.36Å; A62-I67 HydrophobicContact CB-CB 3.97Å; A62-I67 HydrophobicContact CB-CD1 3.92Å; A62-I67 HydrophobicContact CB-CG1 4.39Å; A62-I67 HydrophobicContact CB-CG2 4.27Å; A62-I67 VanDerWaalsContact O-CB 3.28Å; A62-I67 WeakPolarHBondContact O-CB 3.46Å; A62-I67 PolarHBondContact O-N 3.05Å; I67-L69 WeakPolarHBondContact CG2-O 3.31Å; I67-F70 HydrophobicContact CG2-CE1 4.36Å; I67-F70 HydrophobicContact CG2-CZ 4.21Å; I67-F70 WeakPolarHBondContact O-CZ 3.2Å; I67-I320 HydrophobicContact CD1-CD1 4.23Å; I67-I320 HydrophobicContact CD1-CG1 4.2Å
68	N	98.8	Very high	98.6	Very high	23 Å²	23	25.2 Å²	25.2	12%	0.123	16%	0.155	C	C	.	.			trans	-103.8	-15.7	175.1	75.9	-9.1	0	0	0	112.8	Y25 R34 V35 S36 G66 F70 V100	Y25-N68 HydrophobicContact CE1-CB 4.45Å; R34-N68 PolarHBondContact O-ND2 2.85Å; V35-N68 WeakPolarHBondContact CA-OD1 3.47Å; S36-N68 PolarHBondContact N-OD1 3.33Å; S36-N68 PolarHBondContact OG-N 2.62Å; S36-N68 PolarHBondContact OG-OD1 3.29Å; G66-N68 PolarHBondContact O-N 3.36Å; N68-F70 WeakPolarHBondContact O-CD2 3.47Å; N68-F70 WeakPolarHBondContact O-CE2 3.46Å; N68-V100 WeakPolarHBondContact O-CA 3.47Å; N68-V100 PolarHBondContact O-N 3.04Å
69	L	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.5	-175.2	176.4	65.4	0	0	0	112	V35 G39 L40 I67 V100 T102 M227 S305 L307	V35-L69 HydrophobicContact CB-CB 4.47Å; V35-L69 HydrophobicContact CB-CD2 4.44Å; V35-L69 HydrophobicContact CG1-CD1 4.41Å; G39-L69 CarbonylContact C-O 3.54Å; G39-L69 VanDerWaalsContact CA-O 3.22Å; G39-L69 WeakPolarHBondContact CA-O 3.38Å; L40-L69 PolarHBondContact N-O 3.19Å; I67-L69 WeakPolarHBondContact CG2-O 3.31Å; L69-V100 WeakPolarHBondContact CA-O 3.3Å; L69-V100 HydrophobicContact CD1-CB 4.21Å; L69-V100 HydrophobicContact CD1-CG1 3.73Å; L69-T102 HydrophobicContact CD1-CG2 3.78Å; L69-M227 HydrophobicContact CD1-CE 3.75Å; L69-M227 HydrophobicContact CD1-SD 4.38Å; L69-M227 HydrophobicContact CD2-CE 3.59Å; L69-M227 HydrophobicContact CD2-CG 4.32Å; L69-M227 HydrophobicContact CD2-SD 3.92Å; L69-M227 HydrophobicContact CG-CE 4.31Å; L69-S305 VanDerWaalsContact CD2-OG 3.31Å; L69-S305 WeakPolarHBondContact CD2-OG 3.35Å; L69-L307 HydrophobicContact CD2-CD2 3.82Å; L69-L307 HydrophobicContact CG-CD2 4.14Å
70	F	98.9	Very high	98.6	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.2	178.3	-56.9	-87.5	0	0	0	110.8	L40 M59 A62 Y63 I67 N68 L85 L99 V100 I101 T102	L40-F70 HydrophobicContact CB-CD1 3.99Å; L40-F70 HydrophobicContact CB-CE1 4.23Å; L40-F70 HydrophobicContact CD2-CD1 4.37Å; L40-F70 HydrophobicContact CD2-CE1 4.33Å; L40-F70 WeakPolarHBondContact O-CA 3.47Å; M59-F70 HydrophobicContact CE-CB 4.46Å; M59-F70 HydrophobicContact CE-CD1 3.78Å; M59-F70 HydrophobicContact CE-CD2 3.98Å; M59-F70 HydrophobicContact CE-CE1 3.96Å; M59-F70 HydrophobicContact CE-CE2 4.16Å; M59-F70 HydrophobicContact CE-CG 3.79Å; M59-F70 HydrophobicContact CE-CZ 4.15Å; M59-F70 HydrophobicContact CG-CD1 3.87Å; M59-F70 HydrophobicContact CG-CE1 3.51Å; M59-F70 HydrophobicContact CG-CZ 4.16Å; M59-F70 HydrophobicContact SD-CD1 4.48Å; A62-F70 HydrophobicContact CB-CE1 3.92Å; A62-F70 HydrophobicContact CB-CZ 4.35Å; Y63-F70 HydrophobicContact CD2-CE2 4.47Å; Y63-F70 HydrophobicContact CD2-CZ 4.49Å; I67-F70 HydrophobicContact CG2-CE1 4.36Å; I67-F70 HydrophobicContact CG2-CZ 4.21Å; I67-F70 WeakPolarHBondContact O-CZ 3.2Å; N68-F70 WeakPolarHBondContact O-CD2 3.47Å; N68-F70 WeakPolarHBondContact O-CE2 3.46Å; F70-L85 HydrophobicContact CB-CD1 4.39Å; F70-L99 HydrophobicContact CD2-CD2 3.97Å; F70-L99 HydrophobicContact CE2-CD2 3.54Å; F70-V100 PolarHBondContact N-O 2.9Å; F70-I101 HydrophobicContact CB-CD1 3.9Å; F70-I101 HydrophobicContact CD2-CD1 4.07Å; F70-I101 HydrophobicContact CG-CD1 4.37Å; F70-I101 WeakPolarHBondContact O-CA 3.44Å; F70-T102 PolarHBondContact O-N 3.24Å
71	D	98.9	Very high	98.6	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.2	-169.6	173.4	79	0	0	0	112.4	L40 G41 T42 T102 K104 Q200 L307	L40-D71 PolarHBondContact O-N 2.84Å; G41-D71 WeakPolarHBondContact CA-O 3.22Å; T42-D71 WeakPolarHBondContact CG2-O 3.39Å; T42-D71 PolarHBondContact N-O 3.04Å; T42-D71 PolarHBondContact OG1-O 3.26Å; T42-D71 VanDerWaalsContact OG1-O 3.12Å; D71-T102 WeakPolarHBondContact CA-OG1 3.2Å; D71-T102 VanDerWaalsContact CB-OG1 3.3Å; D71-T102 WeakPolarHBondContact CB-OG1 3.28Å; D71-T102 PolarHBondContact OD1-OG1 3.4Å; D71-K104 IonicContact OD1-NZ 2.67Å; D71-K104 PolarHBondContact OD1-NZ 3.15Å; D71-K104 IonicContact OD2-NZ 3.29Å; D71-K104 PolarHBondContact OD2-NZ 3.18Å; D71-Q200 PolarHBondContact OD1-NE2 3.43Å; D71-L307 HydrophobicContact CB-CD1 3.82Å; D71-L307 HydrophobicContact CB-CD2 3.78Å; D71-L307 HydrophobicContact CB-CG 4.45Å
72	T	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.166	C	C	.	.			trans	-141.1	-173.4	178.4	-165.6	0	0	0	0	111.7	T42 E82 L85 T102 T103 K104 L133	T42-T72 VanDerWaalsContact OG1-CA 3.29Å; T42-T72 WeakPolarHBondContact OG1-CA 3.38Å; T42-T72 VanDerWaalsContact OG1-CB 3.26Å; T42-T72 WeakPolarHBondContact OG1-CB 3.31Å; T42-T72 PolarHBondContact OG1-OG1 3.35Å; T72-E82 HydrophobicContact CG2-CG 3.58Å; T72-L85 HydrophobicContact CG2-CD2 3.89Å; T72-T102 PolarHBondContact N-O 3.45Å; T72-T103 WeakPolarHBondContact O-CA 3.07Å; T72-K104 WeakPolarHBondContact O-CG 3.38Å; T72-K104 PolarHBondContact O-N 3.17Å; T72-K104 PolarHBondContact O-NZ 3.4Å; T72-L133 HydrophobicContact CG2-CD2 4.34Å
73	A	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.			trans	-158.1	153.4	172.7	0	0	0	0	0	110.7	V75 Y76 T103 K104	A73-V75 HydrophobicContact CB-CG1 4.22Å; A73-V75 PolarHBondContact O-N 3.15Å; A73-V75 VanDerWaalsContact O-N 3.14Å; A73-Y76 HydrophobicContact CB-CD1 3.81Å; A73-Y76 HydrophobicContact CB-CD2 3.83Å; A73-Y76 HydrophobicContact CB-CE1 3.74Å; A73-Y76 HydrophobicContact CB-CE2 3.76Å; A73-Y76 HydrophobicContact CB-CG 3.84Å; A73-Y76 VanDerWaalsContact N-CD2 3.35Å; A73-Y76 WeakPolarHBondContact O-CB 3.48Å; A73-Y76 PolarHBondContact O-N 3.02Å; A73-T103 WeakPolarHBondContact CA-OG1 3.26Å; A73-K104 HydrophobicContact CB-CB 3.87Å; A73-K104 HydrophobicContact CB-CG 4.23Å
74	E	98.8	Very high	98.6	Very high	5 Å²	5	29 Å²	29	2%	0.023	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.1	177.9	64.9	176.4	167.6	0	0	112.7	Y76 G79 E82 K104 I105 F106 W107 G108 H121	E74-Y76 VanDerWaalsContact C-N 3.34Å; E74-Y76 PolarHBondContact O-N 3.47Å; E74-G79 WeakPolarHBondContact O-CA 3.2Å; E74-G79 PolarHBondContact O-N 2.84Å; E74-E82 PolarHBondContact N-OE1 3.22Å; E74-K104 PolarHBondContact N-O 3.32Å; E74-I105 HydrophobicContact CB-CD1 4.39Å; E74-I105 HydrophobicContact CG-CD1 4.29Å; E74-I105 WeakPolarHBondContact OE1-CA 3.15Å; E74-F106 PolarHBondContact OE1-N 3.45Å; E74-W107 WeakPolarHBondContact CG-O 3.4Å; E74-W107 VanDerWaalsContact OE1-C 3.29Å; E74-W107 PolarHBondContact OE1-N 2.9Å; E74-G108 VanDerWaalsContact CD-CA 3.47Å; E74-G108 PolarHBondContact OE1-N 3.29Å; E74-G108 WeakPolarHBondContact OE2-CA 3.37Å; E74-H121 IonicContact OE1-CD2 3.19Å; E74-H121 IonicContact OE1-CE1 3.48Å; E74-H121 IonicContact OE1-NE2 2.73Å; E74-H121 PolarHBondContact OE1-NE2 3.09Å; E74-H121 IonicContact OE2-CE1 2.89Å; E74-H121 IonicContact OE2-NE2 3.61Å; E74-H121 PolarHBondContact OE2-NE2 3.35Å
75	V	98.7	Very high	98.6	Very high	55 Å²	55	23.9 Å²	23.9	33%	0.333	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19	-177.7	75	0	0	0	0	112.8	A73 A77 A78 W107	A73-V75 HydrophobicContact CB-CG1 4.22Å; A73-V75 PolarHBondContact O-N 3.15Å; A73-V75 VanDerWaalsContact O-N 3.14Å; V75-A77 PolarHBondContact O-N 3.42Å; V75-A77 VanDerWaalsContact O-N 3.12Å; V75-A78 PolarHBondContact O-N 3.43Å; V75-A78 VanDerWaalsContact O-N 3.11Å; V75-W107 HydrophobicContact CB-CB 3.96Å; V75-W107 HydrophobicContact CB-CE3 4.37Å; V75-W107 HydrophobicContact CG1-CE3 4.15Å; V75-W107 HydrophobicContact CG2-CB 3.65Å; V75-W107 HydrophobicContact CG2-CE3 4.37Å; V75-W107 HydrophobicContact CG2-CG 4.3Å
76	Y	98.5	Very high	98.7	Very high	26 Å²	26	22.3 Å²	22.3	10%	0.102	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	115.4	-173.7	-67.8	-7.3	0	0	0	110.7	T42 W43 A73 E74 A78 G79 A81 K104	T42-Y76 WeakPolarHBondContact OG1-CD2 3.47Å; W43-Y76 HydrophobicContact CB-CD1 4.46Å; W43-Y76 HydrophobicContact CB-CD2 4.07Å; W43-Y76 HydrophobicContact CB-CE1 4.07Å; W43-Y76 HydrophobicContact CB-CE2 3.64Å; W43-Y76 HydrophobicContact CB-CG 4.48Å; W43-Y76 AromaticContact CD1-CD1 3.55Å; W43-Y76 AromaticContact CD1-CE1 3.42Å; W43-Y76 VanDerWaalsContact CD1-CE1 3.42Å; W43-Y76 AromaticContact CD1-CZ 3.93Å; W43-Y76 HydrophobicContact CG-CD1 4.29Å; W43-Y76 AromaticContact CG-CE1 3.88Å; W43-Y76 HydrophobicContact CG-CE1 3.88Å; W43-Y76 HydrophobicContact CG-CE2 4.35Å; W43-Y76 AromaticContact CG-CZ 3.91Å; A73-Y76 HydrophobicContact CB-CD1 3.81Å; A73-Y76 HydrophobicContact CB-CD2 3.83Å; A73-Y76 HydrophobicContact CB-CE1 3.74Å; A73-Y76 HydrophobicContact CB-CE2 3.76Å; A73-Y76 HydrophobicContact CB-CG 3.84Å; A73-Y76 VanDerWaalsContact N-CD2 3.35Å; A73-Y76 WeakPolarHBondContact O-CB 3.48Å; A73-Y76 PolarHBondContact O-N 3.02Å; E74-Y76 VanDerWaalsContact C-N 3.34Å; E74-Y76 PolarHBondContact O-N 3.47Å; Y76-A78 PolarHBondContact O-N 3.12Å; Y76-G79 PolarHBondContact O-N 3.41Å; Y76-G79 VanDerWaalsContact O-N 3.17Å; Y76-A81 WeakPolarHBondContact O-CB 3.48Å; Y76-A81 PolarHBondContact O-N 3.09Å; Y76-K104 WeakPolarHBondContact OH-CE 3.33Å; Y76-K104 PolarHBondContact OH-NZ 2.88Å
77	A	97.6	Very high	98.7	Very high	43 Å²	43	24.9 Å²	24.9	36%	0.355	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	35.9	-172	0	0	0	0	0	112.8	G47 V75 G79 K80	G47-A77 WeakPolarHBondContact O-CB 3.33Å; V75-A77 PolarHBondContact O-N 3.42Å; V75-A77 VanDerWaalsContact O-N 3.12Å; A77-G79 PolarHBondContact O-N 3.46Å; A77-K80 HydrophobicContact CB-CB 3.92Å; A77-K80 WeakPolarHBondContact O-CB 3.12Å; A77-K80 VanDerWaalsContact O-CG 3.31Å; A77-K80 WeakPolarHBondContact O-CG 3.36Å; A77-K80 PolarHBondContact O-N 2.88Å
78	A	98.1	Very high	98.7	Very high	94 Å²	94	25.1 Å²	25.1	78%	0.777	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	53	-176.1	0	0	0	0	0	112.5	V75 Y76 K80	V75-A78 PolarHBondContact O-N 3.43Å; V75-A78 VanDerWaalsContact O-N 3.11Å; Y76-A78 PolarHBondContact O-N 3.12Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.49Å
79	G	98.4	Very high	98.7	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-13.4	180	0	0	0	0	0	115.2	E74 Y76 A77 A81 E82 V83	E74-G79 WeakPolarHBondContact O-CA 3.2Å; E74-G79 PolarHBondContact O-N 2.84Å; Y76-G79 PolarHBondContact O-N 3.41Å; Y76-G79 VanDerWaalsContact O-N 3.17Å; A77-G79 PolarHBondContact O-N 3.46Å; G79-A81 VanDerWaalsContact C-N 3.29Å; G79-A81 PolarHBondContact O-N 2.91Å; G79-E82 WeakPolarHBondContact O-CB 3.39Å; G79-E82 PolarHBondContact O-N 2.88Å; G79-E82 VanDerWaalsContact O-N 3.16Å; G79-V83 PolarHBondContact O-N 3.22Å
80	K	98.7	Very high	98.7	Very high	131 Å²	131	31.5 Å²	31.5	57%	0.57	18%	0.177	S	C	*	.	H	α-helix	trans	-63.7	-33.4	-178.7	-66.9	-179.7	-179.6	-173.5	0	113.1	A77 A78 E82 V83 V84	A77-K80 HydrophobicContact CB-CB 3.92Å; A77-K80 WeakPolarHBondContact O-CB 3.12Å; A77-K80 VanDerWaalsContact O-CG 3.31Å; A77-K80 WeakPolarHBondContact O-CG 3.36Å; A77-K80 PolarHBondContact O-N 2.88Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.49Å; K80-E82 VanDerWaalsContact C-N 3.25Å; K80-E82 PolarHBondContact O-N 3.4Å; K80-V83 PolarHBondContact O-N 2.89Å; K80-V84 WeakPolarHBondContact O-CG2 3.34Å; K80-V84 PolarHBondContact O-N 2.96Å
81	A	98.8	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-37.5	177	0	0	0	0	0	112	F46 Y76 G79 L85	F46-A81 HydrophobicContact CB-CB 4.01Å; Y76-A81 WeakPolarHBondContact O-CB 3.48Å; Y76-A81 PolarHBondContact O-N 3.09Å; G79-A81 VanDerWaalsContact C-N 3.29Å; G79-A81 PolarHBondContact O-N 2.91Å; A81-L85 VanDerWaalsContact O-CB 3.31Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 3.07Å
82	E	98.9	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-41	174.4	-73.8	175.8	146.4	0	0	112.1	T72 E74 G79 K80 L85 G86 T103 S129 R132 L133	T72-E82 HydrophobicContact CG2-CG 3.58Å; E74-E82 PolarHBondContact N-OE1 3.22Å; G79-E82 WeakPolarHBondContact O-CB 3.39Å; G79-E82 PolarHBondContact O-N 2.88Å; G79-E82 VanDerWaalsContact O-N 3.16Å; K80-E82 VanDerWaalsContact C-N 3.25Å; K80-E82 PolarHBondContact O-N 3.4Å; E82-L85 PolarHBondContact O-N 2.87Å; E82-G86 PolarHBondContact O-N 3.32Å; E82-T103 PolarHBondContact OE1-OG1 2.91Å; E82-S129 VanDerWaalsContact CD-OG 3.23Å; E82-S129 WeakPolarHBondContact OE1-CB 3.45Å; E82-S129 PolarHBondContact OE1-OG 3.44Å; E82-S129 PolarHBondContact OE2-OG 3.07Å; E82-S129 VanDerWaalsContact OE2-OG 3.12Å; E82-R132 HydrophobicContact CB-CB 3.93Å; E82-R132 IonicContact OE2-CZ 3.26Å; E82-R132 IonicContact OE2-NE 3.77Å; E82-R132 PolarHBondContact OE2-NE 2.99Å; E82-R132 IonicContact OE2-NH2 2.74Å; E82-R132 PolarHBondContact OE2-NH2 2.92Å; E82-L133 HydrophobicContact CB-CD2 4.02Å; E82-L133 HydrophobicContact CB-CG 3.99Å; E82-L133 HydrophobicContact CG-CD2 4.21Å; E82-L133 HydrophobicContact CG-CG 4.18Å; E82-L133 WeakPolarHBondContact O-CD2 3.45Å
83	V	98.9	Very high	98.7	Very high	56 Å²	56	44.2 Å²	44.2	34%	0.339	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-47.6	175.5	175.9	0	0	0	0	111.2	G79 K80 G86 N87 R132	G79-V83 PolarHBondContact O-N 3.22Å; K80-V83 PolarHBondContact O-N 2.89Å; V83-G86 PolarHBondContact O-N 3.4Å; V83-N87 WeakPolarHBondContact O-CB 3.23Å; V83-N87 PolarHBondContact O-N 3.38Å; V83-N87 PolarHBondContact O-ND2 3.12Å; V83-R132 WeakPolarHBondContact CA-O 3.32Å; V83-R132 HydrophobicContact CG2-CB 3.84Å; V83-R132 HydrophobicContact CG2-CG 3.93Å
84	V	98.9	Very high	98.7	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-47.4	178.5	175.6	0	0	0	0	110.7	F46 D52 A55 K80 G86 N87 I88	F46-V84 HydrophobicContact CB-CB 4.43Å; F46-V84 HydrophobicContact CB-CG1 4.38Å; F46-V84 HydrophobicContact CD2-CB 4.28Å; F46-V84 HydrophobicContact CD2-CG1 3.74Å; F46-V84 HydrophobicContact CE2-CG1 4.44Å; F46-V84 HydrophobicContact CG-CG1 4.39Å; D52-V84 HydrophobicContact CB-CG1 4.45Å; D52-V84 WeakPolarHBondContact OD1-CG2 3.4Å; A55-V84 HydrophobicContact CB-CG1 3.68Å; K80-V84 WeakPolarHBondContact O-CG2 3.34Å; K80-V84 PolarHBondContact O-N 2.96Å; V84-G86 PolarHBondContact O-N 3.2Å; V84-N87 PolarHBondContact O-N 2.91Å; V84-I88 HydrophobicContact CG1-CD1 3.83Å; V84-I88 WeakPolarHBondContact O-CD1 3.44Å; V84-I88 VanDerWaalsContact O-CG1 3.28Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 2.95Å
85	L	98.9	Very high	98.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-46.9	177.7	-179.1	60.2	0	0	0	111.9	T42 M59 F70 T72 A81 E82 I88 I89 I101 L133	T42-L85 HydrophobicContact CG2-CD2 4.49Å; M59-L85 HydrophobicContact CE-CD1 3.46Å; M59-L85 VanDerWaalsContact CE-CD1 3.46Å; M59-L85 HydrophobicContact SD-CD1 3.45Å; M59-L85 WeakPolarHBondContact SD-CD1 3.46Å; F70-L85 HydrophobicContact CB-CD1 4.39Å; T72-L85 HydrophobicContact CG2-CD2 3.89Å; A81-L85 VanDerWaalsContact O-CB 3.31Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 3.07Å; E82-L85 PolarHBondContact O-N 2.87Å; L85-I88 PolarHBondContact O-N 3.37Å; L85-I89 HydrophobicContact CD1-CD1 4.26Å; L85-I89 HydrophobicContact CG-CD1 4.12Å; L85-I89 WeakPolarHBondContact O-CG1 3.41Å; L85-I89 PolarHBondContact O-N 2.87Å; L85-I101 HydrophobicContact CD2-CG2 4.38Å; L85-L133 HydrophobicContact CB-CD2 4.22Å; L85-L133 HydrophobicContact CD2-CD2 3.91Å; L85-L133 HydrophobicContact CG-CD2 4.15Å
86	G	98.9	Very high	98.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-43.2	177.5	0	0	0	0	0	113.3	E82 V83 V84 I88 I89 K90 L133	E82-G86 PolarHBondContact O-N 3.32Å; V83-G86 PolarHBondContact O-N 3.4Å; V84-G86 PolarHBondContact O-N 3.2Å; G86-I88 VanDerWaalsContact C-N 3.34Å; G86-I88 PolarHBondContact O-N 3.45Å; G86-I89 PolarHBondContact O-N 2.81Å; G86-K90 WeakPolarHBondContact O-CB 3.33Å; G86-K90 PolarHBondContact O-N 3.13Å; G86-L133 WeakPolarHBondContact CA-O 3.43Å
87	N	98.9	Very high	98.7	Very high	71 Å²	71	57.2 Å²	57.2	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-43	175.8	-75.2	-18.5	0	0	0	111.9	V83 V84 K90 K91 Q134	V83-N87 WeakPolarHBondContact O-CB 3.23Å; V83-N87 PolarHBondContact O-N 3.38Å; V83-N87 PolarHBondContact O-ND2 3.12Å; V84-N87 PolarHBondContact O-N 2.91Å; N87-K90 PolarHBondContact O-N 3.43Å; N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 PolarHBondContact O-N 3.41Å; N87-Q134 PolarHBondContact OD1-NE2 3.4Å
88	I	98.9	Very high	98.7	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-49.1	177.9	-64.4	159.8	0	0	0	110.3	F46 A55 E56 M59 V84 L85 G86 K90 K91 K92 W94	F46-I88 HydrophobicContact CD2-CD1 4.41Å; F46-I88 HydrophobicContact CE2-CD1 3.82Å; A55-I88 HydrophobicContact CB-CD1 4.01Å; E56-I88 HydrophobicContact CB-CD1 4.23Å; E56-I88 HydrophobicContact CB-CG1 3.98Å; E56-I88 HydrophobicContact CG-CG1 4.4Å; E56-I88 HydrophobicContact CG-CG2 4.23Å; M59-I88 HydrophobicContact CB-CG2 4.11Å; M59-I88 HydrophobicContact CG-CG2 4.22Å; M59-I88 HydrophobicContact SD-CB 3.89Å; M59-I88 HydrophobicContact SD-CD1 4.37Å; M59-I88 HydrophobicContact SD-CG2 3.44Å; M59-I88 WeakPolarHBondContact SD-CG2 3.3Å; V84-I88 HydrophobicContact CG1-CD1 3.83Å; V84-I88 WeakPolarHBondContact O-CD1 3.44Å; V84-I88 VanDerWaalsContact O-CG1 3.28Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 2.95Å; L85-I88 PolarHBondContact O-N 3.37Å; G86-I88 VanDerWaalsContact C-N 3.34Å; G86-I88 PolarHBondContact O-N 3.45Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 2.9Å; I88-K91 PolarHBondContact O-N 2.94Å; I88-K92 HydrophobicContact CG2-CG 3.88Å; I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 WeakPolarHBondContact O-CG 3.46Å; I88-K92 PolarHBondContact O-N 2.9Å; I88-W94 HydrophobicContact CG2-CH2 4.4Å; I88-W94 HydrophobicContact CG2-CZ3 4.09Å
89	I	98.9	Very high	98.8	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.062	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-48.1	179	-67.3	166.5	0	0	0	110.5	M59 L85 G86 G93 L99 I101 L135	M59-I89 HydrophobicContact CE-CD1 4.17Å; M59-I89 HydrophobicContact CE-CG1 3.63Å; M59-I89 HydrophobicContact SD-CG1 4.44Å; L85-I89 HydrophobicContact CD1-CD1 4.26Å; L85-I89 HydrophobicContact CG-CD1 4.12Å; L85-I89 WeakPolarHBondContact O-CG1 3.41Å; L85-I89 PolarHBondContact O-N 2.87Å; G86-I89 PolarHBondContact O-N 2.81Å; I89-G93 PolarHBondContact O-N 3.37Å; I89-G93 VanDerWaalsContact O-N 3.08Å; I89-L99 HydrophobicContact CD1-CD1 4.4Å; I89-L99 HydrophobicContact CG1-CD1 4.13Å; I89-L99 HydrophobicContact CG2-CD1 3.93Å; I89-I101 HydrophobicContact CD1-CD1 3.71Å; I89-I101 HydrophobicContact CD1-CG1 4.13Å; I89-L135 HydrophobicContact CD1-CD1 4.4Å; I89-L135 HydrophobicContact CG2-CD2 4.49Å
90	K	98.8	Very high	98.8	Very high	144 Å²	144	52.4 Å²	52.4	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-45.7	178.7	-174.9	177	-175.2	-179.6	0	112.3	G86 N87 I88 G93	G86-K90 WeakPolarHBondContact O-CB 3.33Å; G86-K90 PolarHBondContact O-N 3.13Å; N87-K90 PolarHBondContact O-N 3.43Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 2.9Å; K90-G93 PolarHBondContact O-N 2.87Å
91	K	98.8	Very high	98.8	Very high	142 Å²	142	46.1 Å²	46.1	62%	0.617	24%	0.238	S	C	*	.	H	α-helix	trans	-64.8	-42.7	-179.5	-173.5	-167.8	-177.5	-159.1	0	111.9	E56 N87 I88 G93	E56-K91 IonicContact OE1-NZ 3.82Å; E56-K91 PolarHBondContact OE1-NZ 3.41Å; E56-K91 WeakPolarHBondContact OE2-CD 3.31Å; E56-K91 IonicContact OE2-NZ 3.46Å; E56-K91 PolarHBondContact OE2-NZ 3.49Å; N87-K91 WeakPolarHBondContact O-CB 3.35Å; N87-K91 PolarHBondContact O-N 3.41Å; I88-K91 PolarHBondContact O-N 2.94Å; K91-G93 VanDerWaalsContact C-N 3.3Å
92	K	98.7	Very high	98.8	Very high	72 Å²	72	46.1 Å²	46.1	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-75.1	-20.9	-178.6	-63.3	-63.5	-58.8	-152.8	0	112.6	E56 T60 I88 W94	E56-K92 HydrophobicContact CG-CD 4.49Å; T60-K92 PolarHBondContact OG1-NZ 3.42Å; I88-K92 HydrophobicContact CG2-CG 3.88Å; I88-K92 WeakPolarHBondContact O-CB 3.49Å; I88-K92 WeakPolarHBondContact O-CG 3.46Å; I88-K92 PolarHBondContact O-N 2.9Å; K92-W94 HydrophobicContact CB-CD2 3.57Å; K92-W94 HydrophobicContact CB-CE3 3.78Å; K92-W94 HydrophobicContact CB-CG 4.09Å; K92-W94 HydrophobicContact CB-CH2 4.14Å; K92-W94 HydrophobicContact CB-CZ2 3.96Å; K92-W94 HydrophobicContact CB-CZ3 4.03Å; K92-W94 HydrophobicContact CD-CH2 4.44Å; K92-W94 HydrophobicContact CD-CZ2 4.25Å; K92-W94 HydrophobicContact CG-CD2 4.28Å; K92-W94 HydrophobicContact CG-CE3 4.2Å; K92-W94 HydrophobicContact CG-CH2 3.74Å; K92-W94 HydrophobicContact CG-CZ2 3.83Å; K92-W94 HydrophobicContact CG-CZ3 3.91Å; K92-W94 PolarHBondContact O-N 2.97Å
93	G	98.5	Very high	98.8	Very high	61 Å²	61	46.1 Å²	46.1	63%	0.629	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	23.7	178.3	0	0	0	0	0	113.2	I89 K90 K91	I89-G93 PolarHBondContact O-N 3.37Å; I89-G93 VanDerWaalsContact O-N 3.08Å; K90-G93 PolarHBondContact O-N 2.87Å; K91-G93 VanDerWaalsContact C-N 3.3Å
94	W	98.7	Very high	98.8	Very high	35 Å²	35	43.5 Å²	43.5	13%	0.133	22%	0.222	C	C	.	.			trans	-62.8	142.8	176.5	-66	-44.5	0	0	0	110.3	M59 Y63 I88 K92 R96 L99	M59-W94 HydrophobicContact CB-CH2 4.48Å; M59-W94 HydrophobicContact CE-CE3 4.29Å; M59-W94 HydrophobicContact CE-CZ3 3.74Å; M59-W94 HydrophobicContact CG-CH2 4.03Å; M59-W94 HydrophobicContact CG-CZ3 3.81Å; M59-W94 HydrophobicContact SD-CZ3 3.8Å; Y63-W94 AromaticContact CD1-CD1 3.81Å; Y63-W94 HydrophobicContact CD1-CD2 4.09Å; Y63-W94 AromaticContact CD1-CE2 3.48Å; Y63-W94 VanDerWaalsContact CD1-CE2 3.48Å; Y63-W94 HydrophobicContact CD1-CG 4.27Å; Y63-W94 AromaticContact CD1-CZ2 3.85Å; Y63-W94 HydrophobicContact CD1-CZ2 3.85Å; Y63-W94 AromaticContact CD1-NE1 3.29Å; Y63-W94 VanDerWaalsContact CD1-NE1 3.29Å; Y63-W94 HydrophobicContact CD2-CD2 4.12Å; Y63-W94 HydrophobicContact CD2-CE3 4.4Å; Y63-W94 HydrophobicContact CD2-CG 4.42Å; Y63-W94 AromaticContact CE1-CD1 3.36Å; Y63-W94 HydrophobicContact CE1-CD2 4.25Å; Y63-W94 AromaticContact CE1-CE2 3.9Å; Y63-W94 AromaticContact CE1-CG 3.93Å; Y63-W94 HydrophobicContact CE1-CG 3.93Å; Y63-W94 AromaticContact CE1-NE1 3.33Å; Y63-W94 VanDerWaalsContact CE1-NE1 3.33Å; Y63-W94 HydrophobicContact CE2-CB 4.33Å; Y63-W94 HydrophobicContact CE2-CD2 4.27Å; Y63-W94 HydrophobicContact CE2-CG 4.09Å; Y63-W94 HydrophobicContact CG-CD2 4.02Å; Y63-W94 AromaticContact CG-CE2 3.66Å; Y63-W94 HydrophobicContact CG-CE3 4.46Å; Y63-W94 HydrophobicContact CG-CG 4.49Å; Y63-W94 HydrophobicContact CG-CH2 4.28Å; Y63-W94 AromaticContact CG-CZ2 3.79Å; Y63-W94 HydrophobicContact CG-CZ2 3.79Å; Y63-W94 AromaticContact CG-NE1 3.96Å; Y63-W94 AromaticContact CZ-CD1 3.64Å; Y63-W94 AromaticContact CZ-CG 3.81Å; I88-W94 HydrophobicContact CG2-CH2 4.4Å; I88-W94 HydrophobicContact CG2-CZ3 4.09Å; K92-W94 HydrophobicContact CB-CD2 3.57Å; K92-W94 HydrophobicContact CB-CE3 3.78Å; K92-W94 HydrophobicContact CB-CG 4.09Å; K92-W94 HydrophobicContact CB-CH2 4.14Å; K92-W94 HydrophobicContact CB-CZ2 3.96Å; K92-W94 HydrophobicContact CB-CZ3 4.03Å; K92-W94 HydrophobicContact CD-CH2 4.44Å; K92-W94 HydrophobicContact CD-CZ2 4.25Å; K92-W94 HydrophobicContact CG-CD2 4.28Å; K92-W94 HydrophobicContact CG-CE3 4.2Å; K92-W94 HydrophobicContact CG-CH2 3.74Å; K92-W94 HydrophobicContact CG-CZ2 3.83Å; K92-W94 HydrophobicContact CG-CZ3 3.91Å; K92-W94 PolarHBondContact O-N 2.97Å; W94-R96 PolarHBondContact O-N 3.45Å; W94-L99 HydrophobicContact CB-CD1 4.22Å; W94-L99 HydrophobicContact CE3-CD2 4.49Å
95	R	98.6	Very high	98.8	Very high	175 Å²	175	43.2 Å²	43.2	66%	0.66	22%	0.22	S	C	*	.			trans	-61	124.3	177.6	-64.4	-170.5	-59.8	-83.7	-1.8	108.9	S97 S98	R95-S97 PolarHBondContact O-N 3.25Å; R95-S97 VanDerWaalsContact O-N 3.11Å; R95-S98 WeakPolarHBondContact O-CB 3.47Å; R95-S98 PolarHBondContact O-N 3.4Å; R95-S98 PolarHBondContact O-OG 3.06Å
96	R	98.8	Very high	98.8	Very high	45 Å²	45	44 Å²	44	17%	0.17	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.9	-34.8	176.5	177.6	59.1	-173.4	91.9	-8.3	112.6	W94 S98 L99 Y137 D139	W94-R96 PolarHBondContact O-N 3.45Å; R96-S98 PolarHBondContact O-N 2.87Å; R96-L99 PolarHBondContact NH1-O 3.33Å; R96-L99 PolarHBondContact O-N 3.36Å; R96-Y137 HydrophobicContact CG-CE1 4.42Å; R96-Y137 PolarHBondContact NH2-O 2.93Å; R96-D139 IonicContact CZ-OD2 3.37Å; R96-D139 IonicContact NH1-OD1 2.75Å; R96-D139 PolarHBondContact NH1-OD1 3.18Å; R96-D139 IonicContact NH1-OD2 2.74Å; R96-D139 PolarHBondContact NH1-OD2 3.41Å; R96-D139 IonicContact NH2-OD1 2.76Å; R96-D139 IonicContact NH2-OD2 3.2Å; R96-D139 PolarHBondContact NH2-OD2 3.37Å
97	S	98.6	Very high	98.8	Very high	104 Å²	104	47.5 Å²	47.5	73%	0.727	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-70.4	-8.8	176.8	56.2	0	0	0	0	115.1	R95	R95-S97 PolarHBondContact O-N 3.25Å; R95-S97 VanDerWaalsContact O-N 3.11Å
98	S	98.7	Very high	98.8	Very high	28 Å²	28	46 Å²	46	20%	0.196	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-97.8	-3.5	174.4	69.4	0	0	0	0	113.6	Y63 R95 R96	Y63-S98 PolarHBondContact OH-OG 3.48Å; R95-S98 WeakPolarHBondContact O-CB 3.47Å; R95-S98 PolarHBondContact O-N 3.4Å; R95-S98 PolarHBondContact O-OG 3.06Å; R96-S98 PolarHBondContact O-N 2.87Å
99	L	98.9	Very high	98.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	25%	0.252	C	S	.	.			trans	-112.8	144.7	-175.8	-64.2	170.4	0	0	0	110.1	Y63 F70 I89 W94 R96 I101	Y63-L99 HydrophobicContact CD2-CD2 3.64Å; Y63-L99 HydrophobicContact CE2-CD2 3.59Å; Y63-L99 HydrophobicContact CE2-CG 4.39Å; F70-L99 HydrophobicContact CD2-CD2 3.97Å; F70-L99 HydrophobicContact CE2-CD2 3.54Å; I89-L99 HydrophobicContact CD1-CD1 4.4Å; I89-L99 HydrophobicContact CG1-CD1 4.13Å; I89-L99 HydrophobicContact CG2-CD1 3.93Å; W94-L99 HydrophobicContact CB-CD1 4.22Å; W94-L99 HydrophobicContact CE3-CD2 4.49Å; R96-L99 PolarHBondContact NH1-O 3.33Å; R96-L99 PolarHBondContact O-N 3.36Å; L99-I101 HydrophobicContact CB-CD1 4.03Å; L99-I101 HydrophobicContact CB-CG1 4.22Å; L99-I101 HydrophobicContact CD1-CD1 4.46Å
100	V	98.9	Very high	98.7	Very high	7 Å²	7	56 Å²	56	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	102	166.4	-177.5	0	0	0	0	107.5	L33 V35 N68 L69 F70 T102 D139	L33-V100 HydrophobicContact CD1-CG1 4.38Å; L33-V100 HydrophobicContact CD1-CG2 3.98Å; L33-V100 HydrophobicContact CD2-CG1 4.01Å; L33-V100 HydrophobicContact CG-CG1 4.5Å; V35-V100 HydrophobicContact CG1-CB 4.49Å; V35-V100 HydrophobicContact CG1-CG1 4.05Å; V35-V100 HydrophobicContact CG1-CG2 4.35Å; N68-V100 WeakPolarHBondContact O-CA 3.47Å; N68-V100 PolarHBondContact O-N 3.04Å; L69-V100 WeakPolarHBondContact CA-O 3.3Å; L69-V100 HydrophobicContact CD1-CB 4.21Å; L69-V100 HydrophobicContact CD1-CG1 3.73Å; F70-V100 PolarHBondContact N-O 2.9Å; V100-T102 HydrophobicContact CG1-CG2 4.39Å; V100-D139 WeakPolarHBondContact CA-OD2 3.28Å; V100-D139 HydrophobicContact CG1-CB 3.77Å
101	I	98.9	Very high	98.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.6	-179.9	-53.1	-55.1	0	0	0	109.2	F70 L85 I89 L99 L135 V138 D139 V140	F70-I101 HydrophobicContact CB-CD1 3.9Å; F70-I101 HydrophobicContact CD2-CD1 4.07Å; F70-I101 HydrophobicContact CG-CD1 4.37Å; F70-I101 WeakPolarHBondContact O-CA 3.44Å; L85-I101 HydrophobicContact CD2-CG2 4.38Å; I89-I101 HydrophobicContact CD1-CD1 3.71Å; I89-I101 HydrophobicContact CD1-CG1 4.13Å; L99-I101 HydrophobicContact CB-CD1 4.03Å; L99-I101 HydrophobicContact CB-CG1 4.22Å; L99-I101 HydrophobicContact CD1-CD1 4.46Å; I101-L135 HydrophobicContact CB-CD1 4.3Å; I101-L135 HydrophobicContact CG1-CD1 4.09Å; I101-L135 HydrophobicContact CG2-CD1 4.04Å; I101-V138 HydrophobicContact CG2-CG1 4.28Å; I101-D139 PolarHBondContact N-OD2 3.35Å; I101-D139 PolarHBondContact O-N 3.02Å; I101-V140 PolarHBondContact O-N 3.49Å
102	T	98.9	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.8	176.2	66.5	0	0	0	0	111.2	L69 F70 D71 T72 V100 V140 F142	L69-T102 HydrophobicContact CD1-CG2 3.78Å; F70-T102 PolarHBondContact O-N 3.24Å; D71-T102 WeakPolarHBondContact CA-OG1 3.2Å; D71-T102 VanDerWaalsContact CB-OG1 3.3Å; D71-T102 WeakPolarHBondContact CB-OG1 3.28Å; D71-T102 PolarHBondContact OD1-OG1 3.4Å; T72-T102 PolarHBondContact N-O 3.45Å; V100-T102 HydrophobicContact CG1-CG2 4.39Å; T102-V140 VanDerWaalsContact CA-O 3.27Å; T102-V140 WeakPolarHBondContact CA-O 3.11Å; T102-V140 HydrophobicContact CG2-CB 3.72Å; T102-V140 HydrophobicContact CG2-CG2 3.95Å; T102-F142 HydrophobicContact CG2-CE2 4Å
103	T	98.9	Very high	98.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	165.5	169.9	-164.2	0	0	0	0	110.8	T72 A73 E82 L126 V138 V140 F142	T72-T103 WeakPolarHBondContact O-CA 3.07Å; A73-T103 WeakPolarHBondContact CA-OG1 3.26Å; E82-T103 PolarHBondContact OE1-OG1 2.91Å; T103-L126 HydrophobicContact CG2-CD1 3.91Å; T103-V138 HydrophobicContact CG2-CG1 4.01Å; T103-V138 HydrophobicContact CG2-CG2 4.36Å; T103-V140 PolarHBondContact N-O 3.22Å; T103-F142 PolarHBondContact O-N 2.99Å
104	K	98.9	Very high	98.6	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	-176.6	-40.2	-170.4	-103.3	-53	0	111	D71 T72 A73 E74 Y76 F142 N144 Q200	D71-K104 IonicContact OD1-NZ 2.67Å; D71-K104 PolarHBondContact OD1-NZ 3.15Å; D71-K104 IonicContact OD2-NZ 3.29Å; D71-K104 PolarHBondContact OD2-NZ 3.18Å; T72-K104 WeakPolarHBondContact O-CG 3.38Å; T72-K104 PolarHBondContact O-N 3.17Å; T72-K104 PolarHBondContact O-NZ 3.4Å; A73-K104 HydrophobicContact CB-CB 3.87Å; A73-K104 HydrophobicContact CB-CG 4.23Å; E74-K104 PolarHBondContact N-O 3.32Å; Y76-K104 WeakPolarHBondContact OH-CE 3.33Å; Y76-K104 PolarHBondContact OH-NZ 2.88Å; K104-F142 CarbonylContact C-O 3.58Å; K104-F142 VanDerWaalsContact CA-O 3.3Å; K104-F142 WeakPolarHBondContact CA-O 3.31Å; K104-F142 HydrophobicContact CB-CB 4.16Å; K104-F142 HydrophobicContact CD-CB 4.3Å; K104-F142 HydrophobicContact CG-CB 3.85Å; K104-F142 HydrophobicContact CG-CD2 4.47Å; K104-F142 HydrophobicContact CG-CG 4.5Å; K104-N144 HydrophobicContact CB-CB 3.69Å; K104-N144 WeakPolarHBondContact CD-OD1 3.47Å; K104-Q200 VanDerWaalsContact CE-OE1 3.22Å
105	I	98.9	Very high	98.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130	-177.1	-54.9	-57.6	0	0	0	109.7	E74 L126 V141 F142 N144	E74-I105 HydrophobicContact CB-CD1 4.39Å; E74-I105 HydrophobicContact CG-CD1 4.29Å; E74-I105 WeakPolarHBondContact OE1-CA 3.15Å; I105-L126 HydrophobicContact CD1-CB 4.41Å; I105-L126 HydrophobicContact CG1-CB 4.46Å; I105-V141 HydrophobicContact CG1-CG2 3.85Å; I105-F142 PolarHBondContact N-O 2.81Å; I105-N144 WeakPolarHBondContact O-CB 3.47Å; I105-N144 PolarHBondContact O-N 3.4Å
106	F	98.9	Very high	98.6	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.07	26%	0.258	C	S	.	.	S	Bend	trans	-174.4	-32.2	163.6	-166.9	-83.5	0	0	0	112.4	E74 R115 G116 L117 N144 R145 P146 D147	E74-F106 PolarHBondContact OE1-N 3.45Å; F106-R115 CarbonylContact O-C 3.6Å; F106-R115 WeakPolarHBondContact O-CA 3.5Å; F106-R115 VanDerWaalsContact O-CB 3.31Å; F106-R115 WeakPolarHBondContact O-CB 3.49Å; F106-G116 PolarHBondContact O-N 3.08Å; F106-L117 HydrophobicContact CD2-CD2 4.17Å; F106-L117 HydrophobicContact CD2-CG 3.99Å; F106-L117 HydrophobicContact CE2-CG 4.33Å; F106-N144 HydrophobicContact CB-CB 3.76Å; F106-R145 HydrophobicContact CB-CG 4.3Å; F106-R145 HydrophobicContact CD1-CG 3.92Å; F106-R145 HydrophobicContact CD2-CG 3.29Å; F106-R145 HydrophobicContact CE1-CG 4.03Å; F106-R145 HydrophobicContact CE2-CG 3.39Å; F106-R145 HydrophobicContact CG-CG 3.56Å; F106-R145 HydrophobicContact CZ-CG 3.78Å; F106-P146 WeakPolarHBondContact CE2-O 3.34Å; F106-D147 HydrophobicContact CE2-CB 3.83Å
107	W	98.8	Very high	98.6	Very high	76 Å²	76	45.5 Å²	45.5	29%	0.288	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-130.7	86.9	-175	-62.1	-79	0	0	0	110.1	E74 V75 N144 R145	E74-W107 WeakPolarHBondContact CG-O 3.4Å; E74-W107 VanDerWaalsContact OE1-C 3.29Å; E74-W107 PolarHBondContact OE1-N 2.9Å; V75-W107 HydrophobicContact CB-CB 3.96Å; V75-W107 HydrophobicContact CB-CE3 4.37Å; V75-W107 HydrophobicContact CG1-CE3 4.15Å; V75-W107 HydrophobicContact CG2-CB 3.65Å; V75-W107 HydrophobicContact CG2-CE3 4.37Å; V75-W107 HydrophobicContact CG2-CG 4.3Å; W107-N144 HydrophobicContact CZ3-CB 4.33Å; W107-N144 WeakPolarHBondContact CZ3-ND2 3.45Å; W107-R145 HydrophobicContact CH2-CG 3.92Å; W107-R145 HydrophobicContact CZ2-CG 4.24Å; W107-R145 HydrophobicContact CZ3-CG 4.48Å
108	G	98.4	Very high	98.6	Very high	40 Å²	40	41.9 Å²	41.9	41%	0.412	22%	0.224	S	C	.	.			trans	-96.5	-14.5	-179.3	0	0	0	0	0	114.4	E74 E114	E74-G108 VanDerWaalsContact CD-CA 3.47Å; E74-G108 PolarHBondContact OE1-N 3.29Å; E74-G108 WeakPolarHBondContact OE2-CA 3.37Å; G108-E114 WeakPolarHBondContact CA-O 3.4Å; G108-E114 PolarHBondContact N-O 3.11Å
109	G	97.3	Very high	98.7	Very high	32 Å²	32	45 Å²	45	33%	0.33	23%	0.232	S	C	.	.			trans	-171.9	-166.8	-177.3	0	0	0	0	0	115.1	E114	G109-E114 VanDerWaalsContact C-OE2 3.29Å; G109-E114 VanDerWaalsContact CA-OE2 3.24Å; G109-E114 WeakPolarHBondContact CA-OE2 3.3Å; G109-E114 PolarHBondContact N-O 3.4Å
110	K	97.8	Very high	98.7	Very high	196 Å²	196	49.2 Å²	49.2	85%	0.852	25%	0.25	S	C	*	.	S	Bend	trans	-95.3	-28.1	-174.8	-70.7	-175.1	-179	178.6	0	112.3	E114	K110-E114 PolarHBondContact N-OE2 3.01Å
111	A	98.5	Very high	98.7	Very high	43 Å²	43	49.1 Å²	49.1	36%	0.355	25%	0.249	S	C	.	.	S	Bend	trans	-66	155.7	179	0	0	0	0	0	110.7	T113 E114	A111-T113 PolarHBondContact O-N 3.35Å; A111-E114 HydrophobicContact CB-CB 4.41Å; A111-E114 HydrophobicContact CB-CG 3.87Å; A111-E114 WeakPolarHBondContact CB-OE2 3.11Å; A111-E114 PolarHBondContact N-OE2 3.39Å; A111-E114 PolarHBondContact O-N 2.86Å; A111-E114 VanDerWaalsContact O-N 3.1Å
112	E	98.1	Very high	98.7	Very high	144 Å²	144	49.1 Å²	49.1	67%	0.673	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-33	-178.1	-171.6	57.2	-154	0	0	112.2	R115	E112-R115 WeakPolarHBondContact O-CG 3.49Å
113	T	98.6	Very high	98.7	Very high	75 Å²	75	51 Å²	51	46%	0.46	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.6	-179.2	50.8	0	0	0	0	114.2	A111 R115 K120	A111-T113 PolarHBondContact O-N 3.35Å; T113-R115 VanDerWaalsContact C-N 3.3Å; T113-K120 HydrophobicContact CG2-CD 4.44Å
114	E	98.7	Very high	98.7	Very high	81 Å²	81	55.4 Å²	55.4	38%	0.379	28%	0.279	S	S	.	.	S	Bend	trans	-97.3	25.5	177.8	-64.6	172.1	152.6	0	0	111.7	G108 G109 K110 A111 H121	G108-E114 WeakPolarHBondContact CA-O 3.4Å; G108-E114 PolarHBondContact N-O 3.11Å; G109-E114 VanDerWaalsContact C-OE2 3.29Å; G109-E114 VanDerWaalsContact CA-OE2 3.24Å; G109-E114 WeakPolarHBondContact CA-OE2 3.3Å; G109-E114 PolarHBondContact N-O 3.4Å; K110-E114 PolarHBondContact N-OE2 3.01Å; A111-E114 HydrophobicContact CB-CB 4.41Å; A111-E114 HydrophobicContact CB-CG 3.87Å; A111-E114 WeakPolarHBondContact CB-OE2 3.11Å; A111-E114 PolarHBondContact N-OE2 3.39Å; A111-E114 PolarHBondContact O-N 2.86Å; A111-E114 VanDerWaalsContact O-N 3.1Å; E114-H121 WeakPolarHBondContact CA-ND1 3.3Å; E114-H121 PolarHBondContact O-CE1 2.86Å
115	R	98.6	Very high	98.7	Very high	105 Å²	105	55.5 Å²	55.5	40%	0.396	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-146.8	169.4	176.2	69.1	178	69.7	179.1	7.1	112.7	F106 E112 T113	F106-R115 CarbonylContact O-C 3.6Å; F106-R115 WeakPolarHBondContact O-CA 3.5Å; F106-R115 VanDerWaalsContact O-CB 3.31Å; F106-R115 WeakPolarHBondContact O-CB 3.49Å; E112-R115 WeakPolarHBondContact O-CG 3.49Å; T113-R115 VanDerWaalsContact C-N 3.3Å
116	G	98.8	Very high	98.7	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	28%	0.281	C	S	.	.	S	Bend	trans	89.1	-163	175.7	0	0	0	0	0	112.8	F106 H121 D147	F106-G116 PolarHBondContact O-N 3.08Å; G116-H121 PolarHBondContact O-CD2 2.98Å; G116-H121 VanDerWaalsContact O-CD2 3.23Å; G116-D147 WeakPolarHBondContact CA-OD2 3.23Å
117	L	98.9	Very high	98.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.307	C	S	.	.	S	Bend	trans	-120.2	20.2	-179.3	-62	178.5	0	0	0	112.5	F106 I122 A143 R145 D147 T155 W176	F106-L117 HydrophobicContact CD2-CD2 4.17Å; F106-L117 HydrophobicContact CD2-CG 3.99Å; F106-L117 HydrophobicContact CE2-CG 4.33Å; L117-I122 HydrophobicContact CB-CD1 4.19Å; L117-I122 HydrophobicContact CD2-CG1 4.47Å; L117-I122 WeakPolarHBondContact O-CD1 3.13Å; L117-A143 HydrophobicContact CD1-CB 3.73Å; L117-A143 HydrophobicContact CD2-CB 3.72Å; L117-A143 HydrophobicContact CG-CB 4.4Å; L117-R145 WeakPolarHBondContact CD1-O 3.13Å; L117-D147 HydrophobicContact CB-CB 3.75Å; L117-D147 HydrophobicContact CD1-CB 3.83Å; L117-D147 HydrophobicContact CG-CB 3.75Å; L117-D147 PolarHBondContact N-OD2 2.96Å; L117-T155 HydrophobicContact CB-CG2 4.08Å; L117-T155 HydrophobicContact CD1-CG2 4.1Å; L117-T155 PolarHBondContact O-OG1 2.79Å; L117-W176 HydrophobicContact CD1-CZ2 3.64Å
118	S	98.9	Very high	98.7	Very high	27 Å²	27	59.4 Å²	59.4	19%	0.189	31%	0.306	C	S	.	.			trans	-55.8	151.4	168.9	69.1	0	0	0	0	110.7	K120 H121 I122 T150 E154	S118-K120 PolarHBondContact O-N 3.25Å; S118-H121 PolarHBondContact O-N 2.89Å; S118-H121 VanDerWaalsContact O-N 3.11Å; S118-H121 PolarHBondContact OG-N 3.07Å; S118-I122 PolarHBondContact O-N 2.97Å; S118-T150 PolarHBondContact N-OG1 3.46Å; S118-E154 WeakPolarHBondContact CA-OE1 3.4Å
119	R	98.9	Very high	98.7	Very high	93 Å²	93	57.5 Å²	57.5	35%	0.351	29%	0.286	S	S	.	.	H	α-helix	trans	-55	-38.2	175.8	178.4	179	176.4	76.3	7.6	111.5	I123 E154 A158 H161	R119-I123 HydrophobicContact CG-CD1 3.7Å; R119-I123 HydrophobicContact CG-CG1 4.48Å; R119-I123 WeakPolarHBondContact O-CB 3.4Å; R119-I123 VanDerWaalsContact O-CG1 3.3Å; R119-I123 WeakPolarHBondContact O-CG1 3.46Å; R119-I123 PolarHBondContact O-N 2.92Å; R119-E154 HydrophobicContact CB-CG 3.95Å; R119-E154 PolarHBondContact N-OE1 2.96Å; R119-A158 HydrophobicContact CB-CB 4Å; R119-A158 HydrophobicContact CG-CB 4.04Å; R119-H161 PolarHBondContact NH2-CD2 3.42Å; R119-H161 VanDerWaalsContact NH2-CD2 3.34Å; R119-H161 PolarHBondContact NH2-CE1 2.92Å; R119-H161 VanDerWaalsContact NH2-CG 3.3Å; R119-H161 PolarHBondContact NH2-ND1 3.42Å; R119-H161 PolarHBondContact NH2-NE2 2.94Å
120	K	98.9	Very high	98.8	Very high	92 Å²	92	56.6 Å²	56.6	40%	0.4	27%	0.273	S	S	.	.	H	α-helix	trans	-56.7	-56.8	175.5	175.9	174.8	167.1	58.9	0	110.5	T113 S118 I123 E124	T113-K120 HydrophobicContact CG2-CD 4.44Å; S118-K120 PolarHBondContact O-N 3.25Å; K120-I123 PolarHBondContact O-N 3.2Å; K120-E124 WeakPolarHBondContact CE-OE2 3.4Å; K120-E124 WeakPolarHBondContact CG-OE2 3.35Å; K120-E124 IonicContact NZ-OE1 3.91Å; K120-E124 PolarHBondContact NZ-OE1 3.41Å; K120-E124 IonicContact NZ-OE2 2.65Å; K120-E124 PolarHBondContact NZ-OE2 2.82Å; K120-E124 WeakPolarHBondContact O-CB 3.35Å; K120-E124 WeakPolarHBondContact O-CG 3.5Å; K120-E124 PolarHBondContact O-N 2.87Å
121	H	98.9	Very high	98.8	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-37.5	-175.7	-168.1	58.1	0	0	0	112.8	E74 E114 G116 S118 I123 G125	E74-H121 IonicContact OE1-CD2 3.19Å; E74-H121 IonicContact OE1-CE1 3.48Å; E74-H121 IonicContact OE1-NE2 2.73Å; E74-H121 PolarHBondContact OE1-NE2 3.09Å; E74-H121 IonicContact OE2-CE1 2.89Å; E74-H121 IonicContact OE2-NE2 3.61Å; E74-H121 PolarHBondContact OE2-NE2 3.35Å; E114-H121 WeakPolarHBondContact CA-ND1 3.3Å; E114-H121 PolarHBondContact O-CE1 2.86Å; G116-H121 PolarHBondContact O-CD2 2.98Å; G116-H121 VanDerWaalsContact O-CD2 3.23Å; S118-H121 PolarHBondContact O-N 2.89Å; S118-H121 VanDerWaalsContact O-N 3.11Å; S118-H121 PolarHBondContact OG-N 3.07Å; H121-I123 VanDerWaalsContact C-N 3.34Å; H121-I123 PolarHBondContact O-N 2.91Å; H121-G125 VanDerWaalsContact O-CA 3.29Å; H121-G125 WeakPolarHBondContact O-CA 3.42Å; H121-G125 PolarHBondContact O-N 3.16Å
122	I	98.9	Very high	98.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-47.4	176.4	-72.7	171.2	0	0	0	111.2	L117 S118 L126 T155 A158 M159 V162	L117-I122 HydrophobicContact CB-CD1 4.19Å; L117-I122 HydrophobicContact CD2-CG1 4.47Å; L117-I122 WeakPolarHBondContact O-CD1 3.13Å; S118-I122 PolarHBondContact O-N 2.97Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 3.03Å; I122-L126 VanDerWaalsContact O-N 3.1Å; I122-T155 HydrophobicContact CD1-CG2 4.12Å; I122-A158 HydrophobicContact CB-CB 4.04Å; I122-A158 HydrophobicContact CD1-CB 3.7Å; I122-A158 HydrophobicContact CG1-CB 4.47Å; I122-A158 HydrophobicContact CG2-CB 3.97Å; I122-M159 HydrophobicContact CD1-CE 3.93Å; I122-M159 HydrophobicContact CD1-CG 4.35Å; I122-M159 HydrophobicContact CD1-SD 4.4Å; I122-M159 HydrophobicContact CG1-CE 4.24Å; I122-M159 HydrophobicContact CG2-CE 4.5Å; I122-M159 HydrophobicContact CG2-SD 4.07Å; I122-V162 HydrophobicContact CG2-CG1 4.23Å
123	I	98.9	Very high	98.9	Very high	41 Å²	41	48.6 Å²	48.6	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-49.2	-178.2	-64.4	172.4	0	0	0	110.6	R119 K120 H121 K127 H161 V162	R119-I123 HydrophobicContact CG-CD1 3.7Å; R119-I123 HydrophobicContact CG-CG1 4.48Å; R119-I123 WeakPolarHBondContact O-CB 3.4Å; R119-I123 VanDerWaalsContact O-CG1 3.3Å; R119-I123 WeakPolarHBondContact O-CG1 3.46Å; R119-I123 PolarHBondContact O-N 2.92Å; K120-I123 PolarHBondContact O-N 3.2Å; H121-I123 VanDerWaalsContact C-N 3.34Å; H121-I123 PolarHBondContact O-N 2.91Å; I123-K127 VanDerWaalsContact O-CB 3.27Å; I123-K127 WeakPolarHBondContact O-CB 3.36Å; I123-K127 PolarHBondContact O-N 3.2Å; I123-H161 VanDerWaalsContact CD1-CD2 3.49Å; I123-H161 WeakPolarHBondContact CD1-CD2 3.26Å; I123-V162 HydrophobicContact CG1-CG1 3.98Å
124	E	98.9	Very high	98.9	Very high	91 Å²	91	49 Å²	49	43%	0.425	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-45.2	-177.5	-70.4	177.1	172.3	0	0	112	K120 K127 A128	K120-E124 WeakPolarHBondContact CE-OE2 3.4Å; K120-E124 WeakPolarHBondContact CG-OE2 3.35Å; K120-E124 IonicContact NZ-OE1 3.91Å; K120-E124 PolarHBondContact NZ-OE1 3.41Å; K120-E124 IonicContact NZ-OE2 2.65Å; K120-E124 PolarHBondContact NZ-OE2 2.82Å; K120-E124 WeakPolarHBondContact O-CB 3.35Å; K120-E124 WeakPolarHBondContact O-CG 3.5Å; K120-E124 PolarHBondContact O-N 2.87Å; E124-K127 PolarHBondContact O-N 3.42Å; E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 3.02Å
125	G	98.9	Very high	98.9	Very high	4 Å²	4	46.4 Å²	46.4	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-49	177.1	0	0	0	0	0	111.9	H121 K127 A128 S129	H121-G125 VanDerWaalsContact O-CA 3.29Å; H121-G125 WeakPolarHBondContact O-CA 3.42Å; H121-G125 PolarHBondContact O-N 3.16Å; G125-K127 PolarHBondContact O-N 3.03Å; G125-A128 PolarHBondContact O-N 3.36Å; G125-S129 WeakPolarHBondContact O-CB 3.47Å; G125-S129 PolarHBondContact O-N 3.46Å; G125-S129 PolarHBondContact O-OG 3.09Å
126	L	98.9	Very high	98.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177.7	-177.3	60.7	0	0	0	112	T103 I105 I122 A128 S129 L130 V138 V141 V162 M167 A168	T103-L126 HydrophobicContact CG2-CD1 3.91Å; I105-L126 HydrophobicContact CD1-CB 4.41Å; I105-L126 HydrophobicContact CG1-CB 4.46Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 3.03Å; I122-L126 VanDerWaalsContact O-N 3.1Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.16Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 3.21Å; L126-L130 HydrophobicContact CD1-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.16Å; L126-L130 HydrophobicContact CG-CG 4.38Å; L126-L130 WeakPolarHBondContact O-CB 3.14Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.1Å; L126-L130 PolarHBondContact O-N 3.39Å; L126-V138 HydrophobicContact CD1-CG2 3.97Å; L126-V141 HydrophobicContact CD1-CB 4.29Å; L126-V141 HydrophobicContact CD1-CG2 3.96Å; L126-V141 HydrophobicContact CD2-CB 4.34Å; L126-V141 HydrophobicContact CD2-CG1 4.43Å; L126-V141 HydrophobicContact CD2-CG2 4.23Å; L126-V162 HydrophobicContact CD2-CB 3.72Å; L126-V162 HydrophobicContact CD2-CG1 4.05Å; L126-V162 HydrophobicContact CD2-CG2 3.81Å; L126-M167 HydrophobicContact CB-CE 4.2Å; L126-M167 HydrophobicContact CD2-CB 3.84Å; L126-M167 HydrophobicContact CD2-CE 4.13Å; L126-M167 HydrophobicContact CG-CE 4.02Å; L126-A168 HydrophobicContact CD2-CB 4.41Å
127	K	98.9	Very high	98.9	Very high	142 Å²	142	51.7 Å²	51.7	62%	0.617	24%	0.241	S	C	*	.	H	α-helix	trans	-59.2	-45.5	175.6	-174.8	177.4	179.3	-178.7	0	111.4	I123 E124 G125 L130 E131 M167	I123-K127 VanDerWaalsContact O-CB 3.27Å; I123-K127 WeakPolarHBondContact O-CB 3.36Å; I123-K127 PolarHBondContact O-N 3.2Å; E124-K127 PolarHBondContact O-N 3.42Å; G125-K127 PolarHBondContact O-N 3.03Å; K127-L130 PolarHBondContact O-N 3.06Å; K127-E131 PolarHBondContact O-N 3.11Å; K127-M167 HydrophobicContact CB-CE 3.93Å
128	A	98.9	Very high	98.9	Very high	31 Å²	31	51.6 Å²	51.6	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-37	177.5	0	0	0	0	0	112.3	E124 G125 L126 E131 R132	E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 3.02Å; G125-A128 PolarHBondContact O-N 3.36Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.16Å; A128-E131 PolarHBondContact O-N 3.4Å; A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.5Å; A128-R132 PolarHBondContact O-NH1 3.07Å
129	S	98.9	Very high	98.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-46.6	172.7	-81.6	0	0	0	0	112.3	E82 G125 L126 E131 R132 L133	E82-S129 VanDerWaalsContact CD-OG 3.23Å; E82-S129 WeakPolarHBondContact OE1-CB 3.45Å; E82-S129 PolarHBondContact OE1-OG 3.44Å; E82-S129 PolarHBondContact OE2-OG 3.07Å; E82-S129 VanDerWaalsContact OE2-OG 3.12Å; G125-S129 WeakPolarHBondContact O-CB 3.47Å; G125-S129 PolarHBondContact O-N 3.46Å; G125-S129 PolarHBondContact O-OG 3.09Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 3.21Å; S129-E131 VanDerWaalsContact C-N 3.33Å; S129-E131 PolarHBondContact O-N 3.27Å; S129-R132 PolarHBondContact O-N 3.01Å; S129-R132 PolarHBondContact OG-NH2 3.02Å; S129-R132 VanDerWaalsContact OG-NH2 3.1Å; S129-L133 WeakPolarHBondContact O-CB 3.36Å; S129-L133 VanDerWaalsContact O-CG 3.26Å; S129-L133 WeakPolarHBondContact O-CG 3.5Å; S129-L133 PolarHBondContact O-N 2.84Å
130	L	98.9	Very high	98.9	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-40.1	178	-73.4	173.6	0	0	0	112.3	L126 K127 L133 Q134 L135 V138 M167	L126-L130 HydrophobicContact CD1-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CG 4.26Å; L126-L130 HydrophobicContact CG-CD1 4.16Å; L126-L130 HydrophobicContact CG-CG 4.38Å; L126-L130 WeakPolarHBondContact O-CB 3.14Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.1Å; L126-L130 PolarHBondContact O-N 3.39Å; K127-L130 PolarHBondContact O-N 3.06Å; L130-L133 CarbonylContact O-C 3.49Å; L130-L133 PolarHBondContact O-N 3.07Å; L130-Q134 PolarHBondContact O-N 2.96Å; L130-L135 WeakPolarHBondContact CB-O 3.23Å; L130-L135 HydrophobicContact CD2-CB 4.29Å; L130-L135 PolarHBondContact O-N 2.97Å; L130-L135 VanDerWaalsContact O-N 3.08Å; L130-V138 HydrophobicContact CD2-CG1 3.95Å; L130-M167 HydrophobicContact CD1-CB 3.79Å; L130-M167 HydrophobicContact CD1-CE 3.99Å; L130-M167 HydrophobicContact CD1-CG 4.15Å
131	E	98.9	Very high	98.9	Very high	154 Å²	154	42.2 Å²	42.2	72%	0.72	20%	0.2	S	C	*	.	H	α-helix	trans	-60.4	-49	173.4	-177.1	176.2	-165.4	0	0	111.6	K127 A128 S129 L133 Q134	K127-E131 PolarHBondContact O-N 3.11Å; A128-E131 PolarHBondContact O-N 3.4Å; S129-E131 VanDerWaalsContact C-N 3.33Å; S129-E131 PolarHBondContact O-N 3.27Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.9Å; E131-Q134 PolarHBondContact O-N 3.3Å; E131-Q134 VanDerWaalsContact O-N 3.11Å
132	R	98.9	Very high	98.9	Very high	61 Å²	61	42 Å²	42	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-41.1	176.2	-72.1	-173.7	-63.1	-90.8	1.2	112.3	E82 V83 A128 S129 Q134	E82-R132 HydrophobicContact CB-CB 3.93Å; E82-R132 IonicContact OE2-CZ 3.26Å; E82-R132 IonicContact OE2-NE 3.77Å; E82-R132 PolarHBondContact OE2-NE 2.99Å; E82-R132 IonicContact OE2-NH2 2.74Å; E82-R132 PolarHBondContact OE2-NH2 2.92Å; V83-R132 WeakPolarHBondContact CA-O 3.32Å; V83-R132 HydrophobicContact CG2-CB 3.84Å; V83-R132 HydrophobicContact CG2-CG 3.93Å; A128-R132 WeakPolarHBondContact O-CG 3.34Å; A128-R132 PolarHBondContact O-N 3.5Å; A128-R132 PolarHBondContact O-NH1 3.07Å; S129-R132 PolarHBondContact O-N 3.01Å; S129-R132 PolarHBondContact OG-NH2 3.02Å; S129-R132 VanDerWaalsContact OG-NH2 3.1Å; R132-Q134 PolarHBondContact O-N 2.77Å
133	L	98.9	Very high	98.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-71	-17.2	177.5	-73.8	165.5	0	0	0	113.1	T72 E82 L85 G86 S129 L130 E131 L135 V138	T72-L133 HydrophobicContact CG2-CD2 4.34Å; E82-L133 HydrophobicContact CB-CD2 4.02Å; E82-L133 HydrophobicContact CB-CG 3.99Å; E82-L133 HydrophobicContact CG-CD2 4.21Å; E82-L133 HydrophobicContact CG-CG 4.18Å; E82-L133 WeakPolarHBondContact O-CD2 3.45Å; L85-L133 HydrophobicContact CB-CD2 4.22Å; L85-L133 HydrophobicContact CD2-CD2 3.91Å; L85-L133 HydrophobicContact CG-CD2 4.15Å; G86-L133 WeakPolarHBondContact CA-O 3.43Å; S129-L133 WeakPolarHBondContact O-CB 3.36Å; S129-L133 VanDerWaalsContact O-CG 3.26Å; S129-L133 WeakPolarHBondContact O-CG 3.5Å; S129-L133 PolarHBondContact O-N 2.84Å; L130-L133 CarbonylContact O-C 3.49Å; L130-L133 PolarHBondContact O-N 3.07Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.9Å; L133-L135 HydrophobicContact CB-CB 4.16Å; L133-L135 HydrophobicContact CB-CD1 4.06Å; L133-L135 HydrophobicContact CB-CG 3.95Å; L133-L135 PolarHBondContact O-N 2.88Å; L133-V138 HydrophobicContact CD1-CG1 3.86Å
134	Q	98.9	Very high	98.9	Very high	84 Å²	84	40.2 Å²	40.2	39%	0.393	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	40.5	-169.6	-59.8	166.3	75.4	0	0	111.8	N87 L130 E131 R132	N87-Q134 PolarHBondContact OD1-NE2 3.4Å; L130-Q134 PolarHBondContact O-N 2.96Å; E131-Q134 PolarHBondContact O-N 3.3Å; E131-Q134 VanDerWaalsContact O-N 3.11Å; R132-Q134 PolarHBondContact O-N 2.77Å
135	L	98.9	Very high	98.9	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	19%	0.187	C	C	.	.			trans	-122.2	147.6	179.9	-65.6	-179.5	0	0	0	110.5	I89 I101 L130 L133	I89-L135 HydrophobicContact CD1-CD1 4.4Å; I89-L135 HydrophobicContact CG2-CD2 4.49Å; I101-L135 HydrophobicContact CB-CD1 4.3Å; I101-L135 HydrophobicContact CG1-CD1 4.09Å; I101-L135 HydrophobicContact CG2-CD1 4.04Å; L130-L135 WeakPolarHBondContact CB-O 3.23Å; L130-L135 HydrophobicContact CD2-CB 4.29Å; L130-L135 PolarHBondContact O-N 2.97Å; L130-L135 VanDerWaalsContact O-N 3.08Å; L133-L135 HydrophobicContact CB-CB 4.16Å; L133-L135 HydrophobicContact CB-CD1 4.06Å; L133-L135 HydrophobicContact CB-CG 3.95Å; L133-L135 PolarHBondContact O-N 2.88Å
136	E	98.9	Very high	98.9	Very high	168 Å²	168	41.5 Å²	41.5	79%	0.785	19%	0.192	S	C	*	.	S	Bend	trans	-75.4	-31.7	172.2	-64.1	-179.6	171.1	0	0	111.8
137	Y	98.9	Very high	98.9	Very high	51 Å²	51	42.5 Å²	42.5	20%	0.2	20%	0.197	C	C	.	.			trans	-150.4	156	179.5	66.6	-91.9	0	0	0	113.3	R96 G166 M167 M169	R96-Y137 HydrophobicContact CG-CE1 4.42Å; R96-Y137 PolarHBondContact NH2-O 2.93Å; Y137-G166 VanDerWaalsContact CB-O 3.22Å; Y137-G166 WeakPolarHBondContact CB-O 3.36Å; Y137-M167 VanDerWaalsContact CA-O 3.23Å; Y137-M167 WeakPolarHBondContact CA-O 3.17Å; Y137-M169 HydrophobicContact CD1-CE 4.02Å; Y137-M169 HydrophobicContact CD2-CE 3.54Å; Y137-M169 HydrophobicContact CD2-CG 3.86Å; Y137-M169 HydrophobicContact CD2-SD 4.48Å; Y137-M169 HydrophobicContact CE1-CE 3.79Å; Y137-M169 HydrophobicContact CE2-CE 3.3Å; Y137-M169 HydrophobicContact CE2-CG 3.98Å; Y137-M169 HydrophobicContact CG-CE 3.91Å; Y137-M169 VanDerWaalsContact CZ-CE 3.43Å
138	V	99	Very high	98.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.2	162.5	-66.8	0	0	0	0	110.4	I101 T103 L126 L130 L133 V141 M167 A168 M169	I101-V138 HydrophobicContact CG2-CG1 4.28Å; T103-V138 HydrophobicContact CG2-CG1 4.01Å; T103-V138 HydrophobicContact CG2-CG2 4.36Å; L126-V138 HydrophobicContact CD1-CG2 3.97Å; L130-V138 HydrophobicContact CD2-CG1 3.95Å; L133-V138 HydrophobicContact CD1-CG1 3.86Å; V138-V141 HydrophobicContact CG2-CB 4.07Å; V138-M167 PolarHBondContact N-O 2.96Å; V138-M167 VanDerWaalsContact N-O 3.13Å; V138-A168 HydrophobicContact CG2-CB 3.93Å; V138-A168 CarbonylContact O-C 3.48Å; V138-A168 WeakPolarHBondContact O-CA 3.26Å; V138-M169 PolarHBondContact O-N 3.38Å
139	D	98.9	Very high	98.9	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.08	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-40.1	176.6	-61.4	-88.4	0	0	0	110.7	R96 V100 I101 M169 Y170	R96-D139 IonicContact CZ-OD2 3.37Å; R96-D139 IonicContact NH1-OD1 2.75Å; R96-D139 PolarHBondContact NH1-OD1 3.18Å; R96-D139 IonicContact NH1-OD2 2.74Å; R96-D139 PolarHBondContact NH1-OD2 3.41Å; R96-D139 IonicContact NH2-OD1 2.76Å; R96-D139 IonicContact NH2-OD2 3.2Å; R96-D139 PolarHBondContact NH2-OD2 3.37Å; V100-D139 WeakPolarHBondContact CA-OD2 3.28Å; V100-D139 HydrophobicContact CG1-CB 3.77Å; I101-D139 PolarHBondContact N-OD2 3.35Å; I101-D139 PolarHBondContact O-N 3.02Å; D139-M169 WeakPolarHBondContact O-CB 3.49Å; D139-Y170 WeakPolarHBondContact O-CD2 3.44Å; D139-Y170 PolarHBondContact O-N 3.02Å
140	V	99	Very high	98.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.9	174.5	-164.6	0	0	0	0	110.5	L28 L33 I101 T102 T103 F142 Y170 I197	L28-V140 HydrophobicContact CD2-CG2 4.23Å; L33-V140 HydrophobicContact CD2-CG2 3.76Å; I101-V140 PolarHBondContact O-N 3.49Å; T102-V140 VanDerWaalsContact CA-O 3.27Å; T102-V140 WeakPolarHBondContact CA-O 3.11Å; T102-V140 HydrophobicContact CG2-CB 3.72Å; T102-V140 HydrophobicContact CG2-CG2 3.95Å; T103-V140 PolarHBondContact N-O 3.22Å; V140-F142 HydrophobicContact CB-CD2 4.32Å; V140-F142 HydrophobicContact CB-CE2 3.8Å; V140-F142 HydrophobicContact CB-CZ 4.32Å; V140-F142 HydrophobicContact CG1-CD2 3.95Å; V140-F142 HydrophobicContact CG1-CE1 4.25Å; V140-F142 HydrophobicContact CG1-CE2 3.55Å; V140-F142 HydrophobicContact CG1-CG 4.46Å; V140-F142 HydrophobicContact CG1-CZ 3.71Å; V140-Y170 WeakPolarHBondContact CA-O 3.26Å; V140-I197 HydrophobicContact CG2-CD1 4.36Å
141	V	99	Very high	98.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	164.9	61	0	0	0	0	109.6	I105 L126 V138 M159 V162 A168 Y170 W171 G172	I105-V141 HydrophobicContact CG1-CG2 3.85Å; L126-V141 HydrophobicContact CD1-CB 4.29Å; L126-V141 HydrophobicContact CD1-CG2 3.96Å; L126-V141 HydrophobicContact CD2-CB 4.34Å; L126-V141 HydrophobicContact CD2-CG1 4.43Å; L126-V141 HydrophobicContact CD2-CG2 4.23Å; V138-V141 HydrophobicContact CG2-CB 4.07Å; V141-M159 HydrophobicContact CG1-SD 3.91Å; V141-M159 HydrophobicContact CG2-SD 4.44Å; V141-V162 HydrophobicContact CG1-CG2 4.16Å; V141-A168 HydrophobicContact CB-CB 4.09Å; V141-A168 HydrophobicContact CG1-CB 3.6Å; V141-Y170 PolarHBondContact N-O 3.38Å; V141-W171 HydrophobicContact CG1-CB 3.88Å; V141-W171 CarbonylContact O-C 3.48Å; V141-W171 WeakPolarHBondContact O-CA 3.16Å; V141-W171 VanDerWaalsContact O-CB 3.31Å; V141-W171 WeakPolarHBondContact O-CB 3.48Å; V141-G172 PolarHBondContact O-N 2.89Å
142	F	99	Very high	98.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.3	177.6	-70.5	-91	0	0	0	112.2	T102 T103 K104 I105 V140 N144 G172 T173 C198 Q200 M227	T102-F142 HydrophobicContact CG2-CE2 4Å; T103-F142 PolarHBondContact O-N 2.99Å; K104-F142 CarbonylContact C-O 3.58Å; K104-F142 VanDerWaalsContact CA-O 3.3Å; K104-F142 WeakPolarHBondContact CA-O 3.31Å; K104-F142 HydrophobicContact CB-CB 4.16Å; K104-F142 HydrophobicContact CD-CB 4.3Å; K104-F142 HydrophobicContact CG-CB 3.85Å; K104-F142 HydrophobicContact CG-CD2 4.47Å; K104-F142 HydrophobicContact CG-CG 4.5Å; I105-F142 PolarHBondContact N-O 2.81Å; V140-F142 HydrophobicContact CB-CD2 4.32Å; V140-F142 HydrophobicContact CB-CE2 3.8Å; V140-F142 HydrophobicContact CB-CZ 4.32Å; V140-F142 HydrophobicContact CG1-CD2 3.95Å; V140-F142 HydrophobicContact CG1-CE1 4.25Å; V140-F142 HydrophobicContact CG1-CE2 3.55Å; V140-F142 HydrophobicContact CG1-CG 4.46Å; V140-F142 HydrophobicContact CG1-CZ 3.71Å; F142-N144 PolarHBondContact O-N 3.46Å; F142-G172 VanDerWaalsContact CA-O 3.27Å; F142-G172 WeakPolarHBondContact CA-O 3.47Å; F142-T173 VanDerWaalsContact CD1-O 3.23Å; F142-T173 WeakPolarHBondContact CD1-O 3.26Å; F142-C198 HydrophobicContact CE1-CB 3.99Å; F142-C198 HydrophobicContact CZ-CB 4.14Å; F142-Q200 HydrophobicContact CD1-CB 4.26Å; F142-Q200 HydrophobicContact CE1-CB 4.08Å; F142-M227 HydrophobicContact CE2-SD 4.39Å; F142-M227 HydrophobicContact CZ-CE 4.24Å; F142-M227 HydrophobicContact CZ-SD 4.2Å
143	A	98.9	Very high	98.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	112.7	155.3	0	0	0	0	0	108.8	L117 R145 M159 G172 S174 W176	L117-A143 HydrophobicContact CD1-CB 3.73Å; L117-A143 HydrophobicContact CD2-CB 3.72Å; L117-A143 HydrophobicContact CG-CB 4.4Å; A143-R145 PolarHBondContact O-N 2.91Å; A143-M159 HydrophobicContact CB-CE 3.95Å; A143-G172 PolarHBondContact N-O 2.86Å; A143-S174 WeakPolarHBondContact O-CB 3.27Å; A143-S174 PolarHBondContact O-N 3.27Å; A143-W176 HydrophobicContact CB-CZ2 3.77Å
144	N	98.8	Very high	98.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-65.4	-26.5	-169.4	-157.8	3.9	0	0	0	113.8	K104 I105 F106 W107 F142 S174	K104-N144 HydrophobicContact CB-CB 3.69Å; K104-N144 WeakPolarHBondContact CD-OD1 3.47Å; I105-N144 WeakPolarHBondContact O-CB 3.47Å; I105-N144 PolarHBondContact O-N 3.4Å; F106-N144 HydrophobicContact CB-CB 3.76Å; W107-N144 HydrophobicContact CZ3-CB 4.33Å; W107-N144 WeakPolarHBondContact CZ3-ND2 3.45Å; F142-N144 PolarHBondContact O-N 3.46Å; N144-S174 CarbonylContact C-O 3.57Å; N144-S174 WeakPolarHBondContact O-CB 3.48Å; N144-S174 PolarHBondContact O-OG 2.87Å
145	R	98.7	Very high	98.8	Very high	101 Å²	101	44.6 Å²	44.6	38%	0.381	23%	0.229	S	C	.	.	S	Bend	trans	-158.5	167.2	174.7	62.3	171.8	-71.5	153.5	2.1	109.6	F106 W107 L117 A143 S174 W176	F106-R145 HydrophobicContact CB-CG 4.3Å; F106-R145 HydrophobicContact CD1-CG 3.92Å; F106-R145 HydrophobicContact CD2-CG 3.29Å; F106-R145 HydrophobicContact CE1-CG 4.03Å; F106-R145 HydrophobicContact CE2-CG 3.39Å; F106-R145 HydrophobicContact CG-CG 3.56Å; F106-R145 HydrophobicContact CZ-CG 3.78Å; W107-R145 HydrophobicContact CH2-CG 3.92Å; W107-R145 HydrophobicContact CZ2-CG 4.24Å; W107-R145 HydrophobicContact CZ3-CG 4.48Å; L117-R145 WeakPolarHBondContact CD1-O 3.13Å; A143-R145 PolarHBondContact O-N 2.91Å; R145-S174 WeakPolarHBondContact CA-O 3.2Å; R145-S174 PolarHBondContact N-O 3.46Å; R145-W176 PolarHBondContact O-NE1 3.45Å
146	P	98.8	Very high	98.9	Very high	22 Å²	22	43.3 Å²	43.3	14%	0.143	22%	0.223	C	C	.	.			trans	-63.3	149.3	169.7	-21.3	33.2	0	0	0	111.9	F106 W176 E180	F106-P146 WeakPolarHBondContact CE2-O 3.34Å; P146-W176 VanDerWaalsContact CD-CD1 3.45Å; P146-W176 HydrophobicContact CG-CB 4.33Å; P146-W176 HydrophobicContact CG-CD2 4.41Å; P146-W176 HydrophobicContact CG-CG 3.85Å; P146-E180 VanDerWaalsContact CB-OE1 3.31Å; P146-E180 WeakPolarHBondContact CB-OE1 3.14Å
147	D	98.8	Very high	98.9	Very high	21 Å²	21	39.9 Å²	39.9	11%	0.112	20%	0.202	C	C	.	.			trans	-115	104.6	171.8	-172.5	1.3	0	0	0	110.4	F106 G116 L117 N149 T150	F106-D147 HydrophobicContact CE2-CB 3.83Å; G116-D147 WeakPolarHBondContact CA-OD2 3.23Å; L117-D147 HydrophobicContact CB-CB 3.75Å; L117-D147 HydrophobicContact CD1-CB 3.83Å; L117-D147 HydrophobicContact CG-CB 3.75Å; L117-D147 PolarHBondContact N-OD2 2.96Å; D147-N149 PolarHBondContact O-N 2.89Å; D147-N149 WeakPolarHBondContact OD1-CB 3.25Å; D147-N149 PolarHBondContact OD1-N 2.99Å; D147-T150 PolarHBondContact O-N 2.86Å; D147-T150 WeakPolarHBondContact OD2-CB 3.37Å; D147-T150 PolarHBondContact OD2-OG1 3.43Å
148	P	98.3	Very high	98.9	Very high	113 Å²	113	37.4 Å²	37.4	73%	0.734	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.9	178.7	31	-36	0	0	0	113.2
149	N	98.6	Very high	98.9	Very high	138 Å²	138	37.4 Å²	37.4	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.8	-176.2	-61.3	-33.1	0	0	0	113.3	D147	D147-N149 PolarHBondContact O-N 2.89Å; D147-N149 WeakPolarHBondContact OD1-CB 3.25Å; D147-N149 PolarHBondContact OD1-N 2.99Å
150	T	98.8	Very high	98.9	Very high	20 Å²	20	37.1 Å²	37.1	12%	0.123	19%	0.191	C	C	.	.	S	Bend	trans	-117.4	126.9	-179.9	-58.7	0	0	0	0	109.9	S118 D147 E154	S118-T150 PolarHBondContact N-OG1 3.46Å; D147-T150 PolarHBondContact O-N 2.86Å; D147-T150 WeakPolarHBondContact OD2-CB 3.37Å; D147-T150 PolarHBondContact OD2-OG1 3.43Å; T150-E154 HydrophobicContact CG2-CB 3.99Å; T150-E154 HydrophobicContact CG2-CG 4.16Å
151	P	98.8	Very high	98.9	Very high	83 Å²	83	39.7 Å²	39.7	54%	0.539	20%	0.204	S	C	.	.			trans	-57.2	143.8	174.4	-24.7	34.6	0	0	0	112.7	E153 E154 T155	P151-E153 VanDerWaalsContact C-N 3.25Å; P151-E153 PolarHBondContact O-N 2.9Å; P151-E154 PolarHBondContact O-N 2.91Å; P151-E154 VanDerWaalsContact O-N 3.11Å; P151-T155 PolarHBondContact O-N 3.44Å
152	M	98.9	Very high	98.8	Very high	22 Å²	22	39.7 Å²	39.7	11%	0.108	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-41	179.6	-171.4	59.4	68.5	0	0	112.3	E154 T155 V156 W176 E180 E183 A184 V187	M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 2.78Å; M152-T155 PolarHBondContact O-N 2.96Å; M152-V156 HydrophobicContact CG-CG2 4.11Å; M152-V156 WeakPolarHBondContact O-CG2 3.2Å; M152-V156 PolarHBondContact O-N 2.83Å; M152-V156 HydrophobicContact SD-CG2 4.1Å; M152-W176 HydrophobicContact CE-CE3 4.19Å; M152-W176 HydrophobicContact CE-CH2 3.68Å; M152-W176 HydrophobicContact CE-CZ3 3.27Å; M152-W176 HydrophobicContact SD-CH2 3.53Å; M152-W176 VanDerWaalsContact SD-CH2 3.53Å; M152-W176 HydrophobicContact SD-CZ3 3.44Å; M152-W176 WeakPolarHBondContact SD-CZ3 3.36Å; M152-E180 HydrophobicContact CE-CB 4.35Å; M152-E183 HydrophobicContact CB-CG 4.19Å; M152-E183 WeakPolarHBondContact CB-OE1 3.26Å; M152-E183 HydrophobicContact CE-CB 4.24Å; M152-E183 HydrophobicContact CE-CG 4.34Å; M152-E183 VanDerWaalsContact CE-OE2 3.28Å; M152-E183 WeakPolarHBondContact CE-OE2 3.39Å; M152-E183 HydrophobicContact CG-CB 4.44Å; M152-E183 HydrophobicContact CG-CG 3.94Å; M152-A184 HydrophobicContact CG-CB 4.42Å; M152-A184 HydrophobicContact SD-CB 3.77Å; M152-V187 HydrophobicContact CB-CG2 4.16Å; M152-V187 HydrophobicContact CG-CB 4.42Å; M152-V187 HydrophobicContact CG-CG2 3.85Å
153	E	98.9	Very high	98.8	Very high	75 Å²	75	41 Å²	41	35%	0.35	21%	0.21	S	C	.	.	H	α-helix	trans	-56.2	-44.8	177.7	-171.8	-177	158	0	0	112.6	P151 V156 R157 V187 F191	P151-E153 VanDerWaalsContact C-N 3.25Å; P151-E153 PolarHBondContact O-N 2.9Å; E153-V156 PolarHBondContact O-N 2.86Å; E153-R157 HydrophobicContact CG-CG 4.4Å; E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 VanDerWaalsContact O-CG 3.26Å; E153-R157 WeakPolarHBondContact O-CG 3.34Å; E153-R157 PolarHBondContact O-N 2.76Å; E153-R157 IonicContact OE1-CZ 3.65Å; E153-R157 IonicContact OE1-NE 2.68Å; E153-R157 PolarHBondContact OE1-NE 3.49Å; E153-R157 IonicContact OE1-NH2 2.71Å; E153-R157 PolarHBondContact OE1-NH2 3.46Å; E153-V187 HydrophobicContact CB-CG1 4.22Å; E153-V187 HydrophobicContact CG-CG1 4.32Å; E153-F191 HydrophobicContact CG-CD2 4.13Å; E153-F191 HydrophobicContact CG-CE2 3.95Å
154	E	98.9	Very high	98.8	Very high	75 Å²	75	46.4 Å²	46.4	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-46.1	179.1	-176.8	176.7	151.9	0	0	111	S118 R119 T150 P151 M152 R157 A158	S118-E154 WeakPolarHBondContact CA-OE1 3.4Å; R119-E154 HydrophobicContact CB-CG 3.95Å; R119-E154 PolarHBondContact N-OE1 2.96Å; T150-E154 HydrophobicContact CG2-CB 3.99Å; T150-E154 HydrophobicContact CG2-CG 4.16Å; P151-E154 PolarHBondContact O-N 2.91Å; P151-E154 VanDerWaalsContact O-N 3.11Å; M152-E154 VanDerWaalsContact C-N 3.32Å; M152-E154 PolarHBondContact O-N 2.78Å; E154-R157 PolarHBondContact O-N 2.85Å; E154-A158 VanDerWaalsContact O-CB 3.32Å; E154-A158 WeakPolarHBondContact O-CB 3.27Å; E154-A158 PolarHBondContact O-N 2.57Å
155	T	98.9	Very high	98.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-50.7	178.1	-62.6	0	0	0	0	111	L117 I122 P151 M152 R157 A158 M159 W176	L117-T155 HydrophobicContact CB-CG2 4.08Å; L117-T155 HydrophobicContact CD1-CG2 4.1Å; L117-T155 PolarHBondContact O-OG1 2.79Å; I122-T155 HydrophobicContact CD1-CG2 4.12Å; P151-T155 PolarHBondContact O-N 3.44Å; M152-T155 PolarHBondContact O-N 2.96Å; T155-R157 PolarHBondContact O-N 3.21Å; T155-A158 PolarHBondContact O-N 3.26Å; T155-M159 WeakPolarHBondContact O-CG 3.41Å; T155-M159 PolarHBondContact O-N 3.08Å; T155-W176 HydrophobicContact CG2-CH2 4.27Å
156	V	98.9	Very high	98.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-38.8	-178.4	177.4	0	0	0	0	111.4	M152 E153 T160 W171 A184 V187 A188 L193	M152-V156 HydrophobicContact CG-CG2 4.11Å; M152-V156 WeakPolarHBondContact O-CG2 3.2Å; M152-V156 PolarHBondContact O-N 2.83Å; M152-V156 HydrophobicContact SD-CG2 4.1Å; E153-V156 PolarHBondContact O-N 2.86Å; V156-T160 VanDerWaalsContact O-CB 3.26Å; V156-T160 WeakPolarHBondContact O-CB 3.24Å; V156-T160 PolarHBondContact O-N 3.02Å; V156-T160 PolarHBondContact O-OG1 3.17Å; V156-W171 HydrophobicContact CG1-CZ2 4.28Å; V156-W171 HydrophobicContact CG2-CH2 4.01Å; V156-W171 HydrophobicContact CG2-CZ2 4.05Å; V156-A184 HydrophobicContact CG2-CB 3.97Å; V156-V187 HydrophobicContact CB-CG1 3.76Å; V156-V187 HydrophobicContact CG1-CG1 4.01Å; V156-V187 HydrophobicContact CG2-CB 4.32Å; V156-V187 HydrophobicContact CG2-CG1 3.93Å; V156-A188 HydrophobicContact CG1-CB 4.07Å; V156-L193 HydrophobicContact CB-CD1 4.42Å; V156-L193 HydrophobicContact CG1-CB 3.98Å; V156-L193 HydrophobicContact CG1-CD1 3.83Å
157	R	98.9	Very high	98.9	Very high	95 Å²	95	49.8 Å²	49.8	36%	0.358	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-38.6	173.6	-75.5	-177	-173.7	-68.9	-1.4	112.1	E153 E154 T155 H161 F191 L193	E153-R157 HydrophobicContact CG-CG 4.4Å; E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 VanDerWaalsContact O-CG 3.26Å; E153-R157 WeakPolarHBondContact O-CG 3.34Å; E153-R157 PolarHBondContact O-N 2.76Å; E153-R157 IonicContact OE1-CZ 3.65Å; E153-R157 IonicContact OE1-NE 2.68Å; E153-R157 PolarHBondContact OE1-NE 3.49Å; E153-R157 IonicContact OE1-NH2 2.71Å; E153-R157 PolarHBondContact OE1-NH2 3.46Å; E154-R157 PolarHBondContact O-N 2.85Å; T155-R157 PolarHBondContact O-N 3.21Å; R157-H161 VanDerWaalsContact O-CB 3.24Å; R157-H161 WeakPolarHBondContact O-CB 3.43Å; R157-H161 PolarHBondContact O-N 2.88Å; R157-F191 VanDerWaalsContact NH2-CD1 3.34Å; R157-L193 HydrophobicContact CB-CD1 4.42Å; R157-L193 HydrophobicContact CG-CD1 3.47Å; R157-L193 VanDerWaalsContact CG-CD1 3.47Å; R157-L193 HydrophobicContact CG-CD2 4.21Å
158	A	98.9	Very high	98.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.5	-45.8	177.4	0	0	0	0	0	111.9	R119 I122 E154 T155 T160 H161 V162	R119-A158 HydrophobicContact CB-CB 4Å; R119-A158 HydrophobicContact CG-CB 4.04Å; I122-A158 HydrophobicContact CB-CB 4.04Å; I122-A158 HydrophobicContact CD1-CB 3.7Å; I122-A158 HydrophobicContact CG1-CB 4.47Å; I122-A158 HydrophobicContact CG2-CB 3.97Å; E154-A158 VanDerWaalsContact O-CB 3.32Å; E154-A158 WeakPolarHBondContact O-CB 3.27Å; E154-A158 PolarHBondContact O-N 2.57Å; T155-A158 PolarHBondContact O-N 3.26Å; A158-T160 PolarHBondContact O-N 3.42Å; A158-H161 WeakPolarHBondContact O-CB 3.44Å; A158-H161 PolarHBondContact O-N 3.35Å; A158-H161 VanDerWaalsContact O-N 3.17Å; A158-V162 PolarHBondContact O-N 3.34Å
159	M	98.9	Very high	98.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-43.8	174.7	-68.7	-62.8	-173	0	0	111.8	I122 V141 A143 T155 H161 V162 I163 W171	I122-M159 HydrophobicContact CD1-CE 3.93Å; I122-M159 HydrophobicContact CD1-CG 4.35Å; I122-M159 HydrophobicContact CD1-SD 4.4Å; I122-M159 HydrophobicContact CG1-CE 4.24Å; I122-M159 HydrophobicContact CG2-CE 4.5Å; I122-M159 HydrophobicContact CG2-SD 4.07Å; V141-M159 HydrophobicContact CG1-SD 3.91Å; V141-M159 HydrophobicContact CG2-SD 4.44Å; A143-M159 HydrophobicContact CB-CE 3.95Å; T155-M159 WeakPolarHBondContact O-CG 3.41Å; T155-M159 PolarHBondContact O-N 3.08Å; M159-H161 VanDerWaalsContact C-N 3.31Å; M159-H161 PolarHBondContact O-N 3.37Å; M159-V162 WeakPolarHBondContact O-CG2 3.29Å; M159-V162 PolarHBondContact O-N 2.86Å; M159-I163 WeakPolarHBondContact O-CG1 3.19Å; M159-I163 PolarHBondContact O-N 3.4Å; M159-W171 HydrophobicContact CB-CB 4.12Å; M159-W171 HydrophobicContact CB-CD2 3.62Å; M159-W171 HydrophobicContact CB-CE3 4Å; M159-W171 HydrophobicContact CB-CG 3.7Å; M159-W171 HydrophobicContact CE-CE3 4.44Å; M159-W171 HydrophobicContact CG-CB 4.39Å; M159-W171 HydrophobicContact CG-CD2 3.8Å; M159-W171 HydrophobicContact CG-CE3 3.61Å; M159-W171 HydrophobicContact CG-CG 4.18Å; M159-W171 HydrophobicContact CG-CZ3 4.09Å; M159-W171 HydrophobicContact SD-CB 4.18Å; M159-W171 HydrophobicContact SD-CE3 4.26Å
160	T	99	Very high	98.9	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-40.7	173.9	-61.5	0	0	0	0	111.7	V156 A158 I163 N164 L193 T194	V156-T160 VanDerWaalsContact O-CB 3.26Å; V156-T160 WeakPolarHBondContact O-CB 3.24Å; V156-T160 PolarHBondContact O-N 3.02Å; V156-T160 PolarHBondContact O-OG1 3.17Å; A158-T160 PolarHBondContact O-N 3.42Å; T160-I163 PolarHBondContact O-N 3.12Å; T160-N164 WeakPolarHBondContact O-CB 3.49Å; T160-N164 VanDerWaalsContact O-CG 3.23Å; T160-N164 PolarHBondContact O-N 3.43Å; T160-N164 PolarHBondContact O-ND2 2.85Å; T160-L193 HydrophobicContact CG2-CB 4.22Å; T160-L193 HydrophobicContact CG2-CD2 4.13Å; T160-L193 WeakPolarHBondContact OG1-CB 3.37Å; T160-T194 PolarHBondContact OG1-N 2.86Å
161	H	98.9	Very high	98.9	Very high	55 Å²	55	43.6 Å²	43.6	26%	0.255	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-49.2	178.9	172.9	75.9	0	0	0	112.2	R119 I123 R157 A158 M159 I163 N164 Q165	R119-H161 PolarHBondContact NH2-CD2 3.42Å; R119-H161 VanDerWaalsContact NH2-CD2 3.34Å; R119-H161 PolarHBondContact NH2-CE1 2.92Å; R119-H161 VanDerWaalsContact NH2-CG 3.3Å; R119-H161 PolarHBondContact NH2-ND1 3.42Å; R119-H161 PolarHBondContact NH2-NE2 2.94Å; I123-H161 VanDerWaalsContact CD1-CD2 3.49Å; I123-H161 WeakPolarHBondContact CD1-CD2 3.26Å; R157-H161 VanDerWaalsContact O-CB 3.24Å; R157-H161 WeakPolarHBondContact O-CB 3.43Å; R157-H161 PolarHBondContact O-N 2.88Å; A158-H161 WeakPolarHBondContact O-CB 3.44Å; A158-H161 PolarHBondContact O-N 3.35Å; A158-H161 VanDerWaalsContact O-N 3.17Å; M159-H161 VanDerWaalsContact C-N 3.31Å; M159-H161 PolarHBondContact O-N 3.37Å; H161-I163 PolarHBondContact O-N 3.37Å; H161-N164 PolarHBondContact O-N 3.47Å; H161-N164 VanDerWaalsContact O-N 3.12Å; H161-Q165 WeakPolarHBondContact O-CG 3.42Å; H161-Q165 PolarHBondContact O-N 2.92Å
162	V	98.9	Very high	98.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-29.3	-179.6	-63.1	0	0	0	0	112.4	I122 I123 L126 V141 A158 M159 G166 M167 A168	I122-V162 HydrophobicContact CG2-CG1 4.23Å; I123-V162 HydrophobicContact CG1-CG1 3.98Å; L126-V162 HydrophobicContact CD2-CB 3.72Å; L126-V162 HydrophobicContact CD2-CG1 4.05Å; L126-V162 HydrophobicContact CD2-CG2 3.81Å; V141-V162 HydrophobicContact CG1-CG2 4.16Å; A158-V162 PolarHBondContact O-N 3.34Å; M159-V162 WeakPolarHBondContact O-CG2 3.29Å; M159-V162 PolarHBondContact O-N 2.86Å; V162-G166 PolarHBondContact O-N 2.95Å; V162-M167 HydrophobicContact CB-CB 4.23Å; V162-M167 HydrophobicContact CB-SD 4.34Å; V162-M167 HydrophobicContact CG1-SD 4.17Å; V162-M167 WeakPolarHBondContact O-CB 3.31Å; V162-M167 PolarHBondContact O-N 2.88Å; V162-A168 PolarHBondContact O-N 3.45Å
163	I	98.9	Very high	98.9	Very high	26 Å²	26	38.6 Å²	38.6	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-49.9	170.1	-68.1	167.6	0	0	0	111	M159 T160 H161 Q165 G166 A168 W171 T194	M159-I163 WeakPolarHBondContact O-CG1 3.19Å; M159-I163 PolarHBondContact O-N 3.4Å; T160-I163 PolarHBondContact O-N 3.12Å; H161-I163 PolarHBondContact O-N 3.37Å; I163-Q165 PolarHBondContact O-N 3.12Å; I163-G166 WeakPolarHBondContact O-CA 3.42Å; I163-G166 PolarHBondContact O-N 2.94Å; I163-A168 VanDerWaalsContact CA-O 3.31Å; I163-A168 WeakPolarHBondContact CA-O 3.31Å; I163-A168 HydrophobicContact CG1-CB 4.2Å; I163-W171 HydrophobicContact CD1-CB 4.07Å; I163-W171 HydrophobicContact CD1-CG 4.17Å; I163-T194 HydrophobicContact CD1-CG2 3.89Å
164	N	98.9	Very high	98.9	Very high	114 Å²	114	35.1 Å²	35.1	61%	0.61	18%	0.175	S	C	*	.	H	α-helix	trans	-65.5	-22.9	179.9	-68.2	-12.9	0	0	0	113.1	T160 H161 G166	T160-N164 WeakPolarHBondContact O-CB 3.49Å; T160-N164 VanDerWaalsContact O-CG 3.23Å; T160-N164 PolarHBondContact O-N 3.43Å; T160-N164 PolarHBondContact O-ND2 2.85Å; H161-N164 PolarHBondContact O-N 3.47Å; H161-N164 VanDerWaalsContact O-N 3.12Å; N164-G166 VanDerWaalsContact C-N 3.27Å
165	Q	98.9	Very high	98.9	Very high	125 Å²	125	36.9 Å²	36.9	58%	0.584	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.6	171.4	-67.9	-59.4	-68.4	0	0	113.2	H161 I163 M167	H161-Q165 WeakPolarHBondContact O-CG 3.42Å; H161-Q165 PolarHBondContact O-N 2.92Å; I163-Q165 PolarHBondContact O-N 3.12Å; Q165-M167 VanDerWaalsContact C-N 3.27Å; Q165-M167 HydrophobicContact CB-CG 4.2Å; Q165-M167 HydrophobicContact CB-SD 4.29Å; Q165-M167 PolarHBondContact O-N 2.66Å
166	G	98.8	Very high	98.9	Very high	41 Å²	41	37 Å²	37	42%	0.423	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	15.9	-179.3	0	0	0	0	0	114.1	Y137 V162 I163 N164	Y137-G166 VanDerWaalsContact CB-O 3.22Å; Y137-G166 WeakPolarHBondContact CB-O 3.36Å; V162-G166 PolarHBondContact O-N 2.95Å; I163-G166 WeakPolarHBondContact O-CA 3.42Å; I163-G166 PolarHBondContact O-N 2.94Å; N164-G166 VanDerWaalsContact C-N 3.27Å
167	M	98.9	Very high	98.9	Very high	31 Å²	31	39 Å²	39	15%	0.153	19%	0.193	C	C	.	.	S	Bend	trans	-82.1	-21.3	176.7	-62.9	171.8	67.8	0	0	112.3	L126 K127 L130 Y137 V138 V162 Q165	L126-M167 HydrophobicContact CB-CE 4.2Å; L126-M167 HydrophobicContact CD2-CB 3.84Å; L126-M167 HydrophobicContact CD2-CE 4.13Å; L126-M167 HydrophobicContact CG-CE 4.02Å; K127-M167 HydrophobicContact CB-CE 3.93Å; L130-M167 HydrophobicContact CD1-CB 3.79Å; L130-M167 HydrophobicContact CD1-CE 3.99Å; L130-M167 HydrophobicContact CD1-CG 4.15Å; Y137-M167 VanDerWaalsContact CA-O 3.23Å; Y137-M167 WeakPolarHBondContact CA-O 3.17Å; V138-M167 PolarHBondContact N-O 2.96Å; V138-M167 VanDerWaalsContact N-O 3.13Å; V162-M167 HydrophobicContact CB-CB 4.23Å; V162-M167 HydrophobicContact CB-SD 4.34Å; V162-M167 HydrophobicContact CG1-SD 4.17Å; V162-M167 WeakPolarHBondContact O-CB 3.31Å; V162-M167 PolarHBondContact O-N 2.88Å; Q165-M167 VanDerWaalsContact C-N 3.27Å; Q165-M167 HydrophobicContact CB-CG 4.2Å; Q165-M167 HydrophobicContact CB-SD 4.29Å; Q165-M167 PolarHBondContact O-N 2.66Å
168	A	98.9	Very high	98.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150	172.4	0	0	0	0	0	110.5	L126 V138 V141 V162 I163	L126-A168 HydrophobicContact CD2-CB 4.41Å; V138-A168 HydrophobicContact CG2-CB 3.93Å; V138-A168 CarbonylContact O-C 3.48Å; V138-A168 WeakPolarHBondContact O-CA 3.26Å; V141-A168 HydrophobicContact CB-CB 4.09Å; V141-A168 HydrophobicContact CG1-CB 3.6Å; V162-A168 PolarHBondContact O-N 3.45Å; I163-A168 VanDerWaalsContact CA-O 3.31Å; I163-A168 WeakPolarHBondContact CA-O 3.31Å; I163-A168 HydrophobicContact CG1-CB 4.2Å
169	M	98.9	Very high	98.9	Very high	83 Å²	83	42.4 Å²	42.4	41%	0.409	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-40.6	173.3	-62.7	-67.1	177.8	0	0	111.6	Y137 V138 D139	Y137-M169 HydrophobicContact CD1-CE 4.02Å; Y137-M169 HydrophobicContact CD2-CE 3.54Å; Y137-M169 HydrophobicContact CD2-CG 3.86Å; Y137-M169 HydrophobicContact CD2-SD 4.48Å; Y137-M169 HydrophobicContact CE1-CE 3.79Å; Y137-M169 HydrophobicContact CE2-CE 3.3Å; Y137-M169 HydrophobicContact CE2-CG 3.98Å; Y137-M169 HydrophobicContact CG-CE 3.91Å; Y137-M169 VanDerWaalsContact CZ-CE 3.43Å; V138-M169 PolarHBondContact O-N 3.38Å; D139-M169 WeakPolarHBondContact O-CB 3.49Å
170	Y	98.9	Very high	98.9	Very high	77 Å²	77	44.8 Å²	44.8	30%	0.302	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	172.7	179.5	-53.2	-82.4	0	0	0	110.7	L33 D139 V140 V141 I197	L33-Y170 HydrophobicContact CB-CD2 4.43Å; L33-Y170 HydrophobicContact CB-CE2 3.93Å; L33-Y170 HydrophobicContact CD1-CE2 4.41Å; L33-Y170 HydrophobicContact CD2-CD2 4.04Å; L33-Y170 HydrophobicContact CD2-CE2 4.24Å; L33-Y170 HydrophobicContact CG-CE2 4.43Å; D139-Y170 WeakPolarHBondContact O-CD2 3.44Å; D139-Y170 PolarHBondContact O-N 3.02Å; V140-Y170 WeakPolarHBondContact CA-O 3.26Å; V141-Y170 PolarHBondContact N-O 3.38Å; Y170-I197 VanDerWaalsContact CB-CD1 3.49Å; Y170-I197 HydrophobicContact CD1-CD1 3.98Å; Y170-I197 HydrophobicContact CD1-CG2 3.97Å; Y170-I197 HydrophobicContact CD2-CD1 4.05Å; Y170-I197 HydrophobicContact CG-CD1 3.57Å; Y170-I197 HydrophobicContact CG-CG1 4.37Å
171	W	98.9	Very high	98.9	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.7	168.5	78.6	-75.5	0	0	0	112.1	V141 V156 M159 I163 T173 A184 T194 P195 P196 I197	V141-W171 HydrophobicContact CG1-CB 3.88Å; V141-W171 CarbonylContact O-C 3.48Å; V141-W171 WeakPolarHBondContact O-CA 3.16Å; V141-W171 VanDerWaalsContact O-CB 3.31Å; V141-W171 WeakPolarHBondContact O-CB 3.48Å; V156-W171 HydrophobicContact CG1-CZ2 4.28Å; V156-W171 HydrophobicContact CG2-CH2 4.01Å; V156-W171 HydrophobicContact CG2-CZ2 4.05Å; M159-W171 HydrophobicContact CB-CB 4.12Å; M159-W171 HydrophobicContact CB-CD2 3.62Å; M159-W171 HydrophobicContact CB-CE3 4Å; M159-W171 HydrophobicContact CB-CG 3.7Å; M159-W171 HydrophobicContact CE-CE3 4.44Å; M159-W171 HydrophobicContact CG-CB 4.39Å; M159-W171 HydrophobicContact CG-CD2 3.8Å; M159-W171 HydrophobicContact CG-CE3 3.61Å; M159-W171 HydrophobicContact CG-CG 4.18Å; M159-W171 HydrophobicContact CG-CZ3 4.09Å; M159-W171 HydrophobicContact SD-CB 4.18Å; M159-W171 HydrophobicContact SD-CE3 4.26Å; I163-W171 HydrophobicContact CD1-CB 4.07Å; I163-W171 HydrophobicContact CD1-CG 4.17Å; W171-T173 HydrophobicContact CH2-CG2 4.48Å; W171-T173 HydrophobicContact CZ3-CG2 3.91Å; W171-A184 HydrophobicContact CH2-CB 3.89Å; W171-A184 HydrophobicContact CZ2-CB 4.44Å; W171-T194 PolarHBondContact NE1-O 3.4Å; W171-P195 VanDerWaalsContact NE1-C 3.28Å; W171-P195 PolarHBondContact NE1-O 2.92Å; W171-P196 HydrophobicContact CD2-CB 3.97Å; W171-P196 HydrophobicContact CE3-CB 4.05Å; W171-P196 HydrophobicContact CH2-CB 3.9Å; W171-P196 HydrophobicContact CH2-CG 3.98Å; W171-P196 HydrophobicContact CZ2-CB 3.8Å; W171-P196 VanDerWaalsContact CZ2-CD 3.41Å; W171-P196 HydrophobicContact CZ2-CG 3.91Å; W171-P196 HydrophobicContact CZ3-CB 4.01Å; W171-P196 WeakPolarHBondContact O-CA 3.4Å; W171-I197 PolarHBondContact O-N 2.93Å
172	G	98.9	Very high	98.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	177.7	177.3	0	0	0	0	0	112.8	V141 F142 A143 C198	V141-G172 PolarHBondContact O-N 2.89Å; F142-G172 VanDerWaalsContact CA-O 3.27Å; F142-G172 WeakPolarHBondContact CA-O 3.47Å; A143-G172 PolarHBondContact N-O 2.86Å; G172-C198 CarbonylContact C-O 3.53Å; G172-C198 WeakPolarHBondContact CA-O 3.45Å
173	T	98.9	Very high	98.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.6	177.9	55.7	0	0	0	0	110.5	F142 W171 W176 I181 P196 C198 E199 Q200	F142-T173 VanDerWaalsContact CD1-O 3.23Å; F142-T173 WeakPolarHBondContact CD1-O 3.26Å; W171-T173 HydrophobicContact CH2-CG2 4.48Å; W171-T173 HydrophobicContact CZ3-CG2 3.91Å; T173-W176 HydrophobicContact CG2-CD2 3.52Å; T173-W176 HydrophobicContact CG2-CE3 3.51Å; T173-W176 HydrophobicContact CG2-CG 3.98Å; T173-W176 HydrophobicContact CG2-CH2 4.31Å; T173-W176 HydrophobicContact CG2-CZ2 4.3Å; T173-W176 HydrophobicContact CG2-CZ3 3.91Å; T173-I181 HydrophobicContact CG2-CG1 4.42Å; T173-P196 HydrophobicContact CG2-CB 4.29Å; T173-P196 HydrophobicContact CG2-CG 4.48Å; T173-C198 PolarHBondContact N-O 3.06Å; T173-E199 WeakPolarHBondContact CB-OE2 3.5Å; T173-E199 CarbonylContact O-C 3.43Å; T173-E199 WeakPolarHBondContact O-CA 3.49Å; T173-E199 VanDerWaalsContact O-OE2 3.08Å; T173-E199 PolarHBondContact OG1-OE2 3.28Å; T173-Q200 PolarHBondContact O-N 3.37Å
174	S	98.9	Very high	98.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	127.6	174.1	160.1	0	0	0	0	109.2	A143 N144 R145 W176 E199 Q200	A143-S174 WeakPolarHBondContact O-CB 3.27Å; A143-S174 PolarHBondContact O-N 3.27Å; N144-S174 CarbonylContact C-O 3.57Å; N144-S174 WeakPolarHBondContact O-CB 3.48Å; N144-S174 PolarHBondContact O-OG 2.87Å; R145-S174 WeakPolarHBondContact CA-O 3.2Å; R145-S174 PolarHBondContact N-O 3.46Å; S174-W176 PolarHBondContact O-N 3.25Å; S174-E199 PolarHBondContact N-OE2 3.04Å; S174-Q200 WeakPolarHBondContact CA-O 3.15Å
175	R	98.4	Very high	98.8	Very high	113 Å²	113	44.5 Å²	44.5	43%	0.426	22%	0.223	S	C	.	.	S	Bend	trans	66.7	16.2	-177	-50.1	168.5	179.4	-177.9	-0.8	114.2	E199 Q200 W229	R175-E199 WeakPolarHBondContact CA-OE1 3.37Å; R175-E199 PolarHBondContact N-OE1 3.16Å; R175-Q200 PolarHBondContact N-O 2.85Å; R175-W229 HydrophobicContact CG-CZ2 4.22Å
176	W	98.8	Very high	98.8	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.019	22%	0.216	C	C	.	.			trans	-80.6	145.3	176.8	-72.2	35.9	0	0	0	110.6	L117 A143 R145 P146 M152 T155 T173 S174 E180 I181 A184 E199 K210	L117-W176 HydrophobicContact CD1-CZ2 3.64Å; A143-W176 HydrophobicContact CB-CZ2 3.77Å; R145-W176 PolarHBondContact O-NE1 3.45Å; P146-W176 VanDerWaalsContact CD-CD1 3.45Å; P146-W176 HydrophobicContact CG-CB 4.33Å; P146-W176 HydrophobicContact CG-CD2 4.41Å; P146-W176 HydrophobicContact CG-CG 3.85Å; M152-W176 HydrophobicContact CE-CE3 4.19Å; M152-W176 HydrophobicContact CE-CH2 3.68Å; M152-W176 HydrophobicContact CE-CZ3 3.27Å; M152-W176 HydrophobicContact SD-CH2 3.53Å; M152-W176 VanDerWaalsContact SD-CH2 3.53Å; M152-W176 HydrophobicContact SD-CZ3 3.44Å; M152-W176 WeakPolarHBondContact SD-CZ3 3.36Å; T155-W176 HydrophobicContact CG2-CH2 4.27Å; T173-W176 HydrophobicContact CG2-CD2 3.52Å; T173-W176 HydrophobicContact CG2-CE3 3.51Å; T173-W176 HydrophobicContact CG2-CG 3.98Å; T173-W176 HydrophobicContact CG2-CH2 4.31Å; T173-W176 HydrophobicContact CG2-CZ2 4.3Å; T173-W176 HydrophobicContact CG2-CZ3 3.91Å; S174-W176 PolarHBondContact O-N 3.25Å; W176-E180 HydrophobicContact CB-CB 4.36Å; W176-E180 HydrophobicContact CD2-CB 4.3Å; W176-E180 HydrophobicContact CE3-CB 3.64Å; W176-E180 HydrophobicContact CZ3-CB 4.29Å; W176-I181 HydrophobicContact CB-CD1 4.19Å; W176-I181 HydrophobicContact CB-CG1 3.74Å; W176-A184 HydrophobicContact CZ3-CB 4.07Å; W176-E199 PolarHBondContact N-OE1 2.8Å; W176-K210 VanDerWaalsContact O-CE 3.28Å; W176-K210 WeakPolarHBondContact O-CE 3.16Å; W176-K210 PolarHBondContact O-NZ 3.37Å
177	S	98.8	Very high	98.9	Very high	43 Å²	43	40.4 Å²	40.4	30%	0.301	20%	0.2	S	C	.	.			trans	-66	157.9	168.3	66.2	0	0	0	0	110.6	M179 E180 I181	S177-M179 PolarHBondContact O-N 3.46Å; S177-E180 WeakPolarHBondContact CB-OE2 3.47Å; S177-E180 PolarHBondContact N-OE2 3.29Å; S177-E180 PolarHBondContact O-N 3Å; S177-E180 VanDerWaalsContact OG-CD 3.28Å; S177-E180 VanDerWaalsContact OG-CG 3.27Å; S177-E180 WeakPolarHBondContact OG-CG 3.42Å; S177-E180 PolarHBondContact OG-N 3.32Å; S177-E180 VanDerWaalsContact OG-N 3.17Å; S177-E180 PolarHBondContact OG-OE2 3.05Å; S177-I181 VanDerWaalsContact O-CG1 3.3Å; S177-I181 WeakPolarHBondContact O-CG1 3.37Å; S177-I181 PolarHBondContact O-N 2.95Å; S177-I181 VanDerWaalsContact O-N 3.09Å
178	S	98.4	Very high	98.8	Very high	38 Å²	38	39 Å²	39	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-31.1	173.5	47.8	0	0	0	0	113	M182 Q214	S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 3.32Å; S178-Q214 PolarHBondContact OG-OE1 3.34Å
179	M	98.8	Very high	98.8	Very high	127 Å²	127	46 Å²	46	63%	0.626	22%	0.22	S	C	*	.	H	α-helix	trans	-66.5	-49.5	175.8	-172.7	-86.2	-73.9	0	0	111.9	S177 I181 M182 E183	S177-M179 PolarHBondContact O-N 3.46Å; M179-I181 VanDerWaalsContact C-N 3.31Å; M179-I181 PolarHBondContact O-N 3.38Å; M179-M182 PolarHBondContact O-N 2.95Å; M179-M182 VanDerWaalsContact O-N 3.16Å; M179-E183 PolarHBondContact O-N 3.38Å
180	E	98.9	Very high	98.8	Very high	50 Å²	50	48.6 Å²	48.6	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-36.1	178	-68.3	158.8	137.9	0	0	111.9	P146 M152 W176 S177 M182 E183 A184	P146-E180 VanDerWaalsContact CB-OE1 3.31Å; P146-E180 WeakPolarHBondContact CB-OE1 3.14Å; M152-E180 HydrophobicContact CE-CB 4.35Å; W176-E180 HydrophobicContact CB-CB 4.36Å; W176-E180 HydrophobicContact CD2-CB 4.3Å; W176-E180 HydrophobicContact CE3-CB 3.64Å; W176-E180 HydrophobicContact CZ3-CB 4.29Å; S177-E180 WeakPolarHBondContact CB-OE2 3.47Å; S177-E180 PolarHBondContact N-OE2 3.29Å; S177-E180 PolarHBondContact O-N 3Å; S177-E180 VanDerWaalsContact OG-CD 3.28Å; S177-E180 VanDerWaalsContact OG-CG 3.27Å; S177-E180 WeakPolarHBondContact OG-CG 3.42Å; S177-E180 PolarHBondContact OG-N 3.32Å; S177-E180 VanDerWaalsContact OG-N 3.17Å; S177-E180 PolarHBondContact OG-OE2 3.05Å; E180-M182 VanDerWaalsContact C-N 3.35Å; E180-E183 WeakPolarHBondContact O-CB 3.44Å; E180-E183 PolarHBondContact O-N 3.41Å; E180-A184 PolarHBondContact O-N 2.95Å
181	I	98.9	Very high	98.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-41.6	175.4	-62.3	163.6	0	0	0	110.6	T173 W176 S177 M179 E183 A184 Y185 E199 L218 I222 V224	T173-I181 HydrophobicContact CG2-CG1 4.42Å; W176-I181 HydrophobicContact CB-CD1 4.19Å; W176-I181 HydrophobicContact CB-CG1 3.74Å; S177-I181 VanDerWaalsContact O-CG1 3.3Å; S177-I181 WeakPolarHBondContact O-CG1 3.37Å; S177-I181 PolarHBondContact O-N 2.95Å; S177-I181 VanDerWaalsContact O-N 3.09Å; M179-I181 VanDerWaalsContact C-N 3.31Å; M179-I181 PolarHBondContact O-N 3.38Å; I181-E183 VanDerWaalsContact C-N 3.35Å; I181-A184 PolarHBondContact O-N 3.22Å; I181-Y185 PolarHBondContact O-N 3.38Å; I181-E199 HydrophobicContact CD1-CB 3.86Å; I181-E199 HydrophobicContact CD1-CG 3.85Å; I181-L218 HydrophobicContact CB-CD1 4.19Å; I181-L218 HydrophobicContact CD1-CD1 3.69Å; I181-L218 HydrophobicContact CG2-CD1 4.13Å; I181-I222 HydrophobicContact CG2-CD1 4.05Å; I181-V224 HydrophobicContact CG2-CG1 4.43Å; I181-V224 HydrophobicContact CG2-CG2 4.06Å
182	M	98.8	Very high	98.8	Very high	66 Å²	66	55.3 Å²	55.3	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-67.6	-35.8	175.3	-171.9	61.5	65.5	0	0	111.8	S178 M179 E180 Y185 S186 L218 K221 I222	S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 3.32Å; M179-M182 PolarHBondContact O-N 2.95Å; M179-M182 VanDerWaalsContact O-N 3.16Å; E180-M182 VanDerWaalsContact C-N 3.35Å; M182-Y185 WeakPolarHBondContact O-CB 3.37Å; M182-Y185 PolarHBondContact O-N 3.18Å; M182-Y185 HydrophobicContact SD-CD1 4.23Å; M182-S186 WeakPolarHBondContact O-CB 3.33Å; M182-S186 PolarHBondContact O-N 3.45Å; M182-L218 HydrophobicContact CE-CD2 4Å; M182-K221 HydrophobicContact CE-CB 4.38Å; M182-K221 HydrophobicContact CE-CD 4.33Å; M182-I222 HydrophobicContact CE-CD1 4.19Å; M182-I222 HydrophobicContact CE-CG1 4.37Å; M182-I222 HydrophobicContact CE-CG2 3.76Å; M182-I222 HydrophobicContact SD-CD1 4.48Å; M182-I222 HydrophobicContact SD-CG2 3.81Å
183	E	98.9	Very high	98.8	Very high	85 Å²	85	56.7 Å²	56.7	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-47.2	173.4	-168.4	-167.6	178.9	0	0	110.9	M152 M179 E180 I181 Y185 S186 V187	M152-E183 HydrophobicContact CB-CG 4.19Å; M152-E183 WeakPolarHBondContact CB-OE1 3.26Å; M152-E183 HydrophobicContact CE-CB 4.24Å; M152-E183 HydrophobicContact CE-CG 4.34Å; M152-E183 VanDerWaalsContact CE-OE2 3.28Å; M152-E183 WeakPolarHBondContact CE-OE2 3.39Å; M152-E183 HydrophobicContact CG-CB 4.44Å; M152-E183 HydrophobicContact CG-CG 3.94Å; M179-E183 PolarHBondContact O-N 3.38Å; E180-E183 WeakPolarHBondContact O-CB 3.44Å; E180-E183 PolarHBondContact O-N 3.41Å; I181-E183 VanDerWaalsContact C-N 3.35Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.23Å; E183-S186 WeakPolarHBondContact O-CB 3.37Å; E183-S186 PolarHBondContact O-N 2.79Å; E183-S186 VanDerWaalsContact O-N 3.12Å; E183-V187 WeakPolarHBondContact O-CG2 3.43Å; E183-V187 PolarHBondContact O-N 2.74Å
184	A	98.9	Very high	98.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-43	173.8	0	0	0	0	0	112.3	M152 V156 W171 W176 E180 I181 A188 P196	M152-A184 HydrophobicContact CG-CB 4.42Å; M152-A184 HydrophobicContact SD-CB 3.77Å; V156-A184 HydrophobicContact CG2-CB 3.97Å; W171-A184 HydrophobicContact CH2-CB 3.89Å; W171-A184 HydrophobicContact CZ2-CB 4.44Å; W176-A184 HydrophobicContact CZ3-CB 4.07Å; E180-A184 PolarHBondContact O-N 2.95Å; I181-A184 PolarHBondContact O-N 3.22Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.2Å; A184-P196 HydrophobicContact CB-CG 4.31Å
185	Y	98.9	Very high	98.8	Very high	47 Å²	47	60.1 Å²	60.1	18%	0.184	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44.1	174.7	-177.6	-93	0	0	0	112	I181 M182 E183 A188 R189 P195 I222	I181-Y185 PolarHBondContact O-N 3.38Å; M182-Y185 WeakPolarHBondContact O-CB 3.37Å; M182-Y185 PolarHBondContact O-N 3.18Å; M182-Y185 HydrophobicContact SD-CD1 4.23Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.23Å; Y185-A188 WeakPolarHBondContact O-CB 3.24Å; Y185-A188 PolarHBondContact O-N 3.43Å; Y185-R189 HydrophobicContact CD1-CG 4.02Å; Y185-R189 HydrophobicContact CE1-CG 3.62Å; Y185-R189 HydrophobicContact CE2-CG 4.43Å; Y185-R189 WeakPolarHBondContact O-CG 3.46Å; Y185-R189 PolarHBondContact O-N 3.26Å; Y185-R189 PolarHBondContact OH-NE 3.06Å; Y185-R189 PolarHBondContact OH-NH2 3.49Å; Y185-P195 HydrophobicContact CD2-CB 3.75Å; Y185-P195 HydrophobicContact CE2-CB 4.26Å; Y185-I222 HydrophobicContact CD1-CB 4.3Å; Y185-I222 HydrophobicContact CD1-CG2 3.5Å; Y185-I222 HydrophobicContact CD2-CB 3.69Å; Y185-I222 HydrophobicContact CD2-CD1 4.21Å; Y185-I222 HydrophobicContact CD2-CG2 3.84Å; Y185-I222 HydrophobicContact CE1-CB 4.3Å; Y185-I222 HydrophobicContact CE1-CG2 3.48Å; Y185-I222 VanDerWaalsContact CE1-CG2 3.48Å; Y185-I222 HydrophobicContact CE2-CB 3.7Å; Y185-I222 HydrophobicContact CE2-CG2 3.83Å; Y185-I222 HydrophobicContact CG-CB 3.98Å; Y185-I222 HydrophobicContact CG-CD1 4.11Å; Y185-I222 HydrophobicContact CG-CG2 3.67Å
186	S	98.9	Very high	98.9	Very high	65 Å²	65	55 Å²	55	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-49.5	178.4	-175.5	0	0	0	0	111.4	M182 E183 A188 R189 Q190	M182-S186 WeakPolarHBondContact O-CB 3.33Å; M182-S186 PolarHBondContact O-N 3.45Å; E183-S186 WeakPolarHBondContact O-CB 3.37Å; E183-S186 PolarHBondContact O-N 2.79Å; E183-S186 VanDerWaalsContact O-N 3.12Å; S186-A188 VanDerWaalsContact C-N 3.3Å; S186-A188 PolarHBondContact O-N 2.75Å; S186-R189 PolarHBondContact O-N 3.2Å; S186-Q190 WeakPolarHBondContact O-CB 3.42Å; S186-Q190 PolarHBondContact O-N 3.4Å
187	V	98.9	Very high	98.9	Very high	14 Å²	14	55.8 Å²	55.8	9%	0.085	28%	0.284	C	S	.	.	H	α-helix	trans	-55.9	-46.2	173.7	165.5	0	0	0	0	110.7	M152 E153 V156 E183 R189 Q190 F191 L193	M152-V187 HydrophobicContact CB-CG2 4.16Å; M152-V187 HydrophobicContact CG-CB 4.42Å; M152-V187 HydrophobicContact CG-CG2 3.85Å; E153-V187 HydrophobicContact CB-CG1 4.22Å; E153-V187 HydrophobicContact CG-CG1 4.32Å; V156-V187 HydrophobicContact CB-CG1 3.76Å; V156-V187 HydrophobicContact CG1-CG1 4.01Å; V156-V187 HydrophobicContact CG2-CB 4.32Å; V156-V187 HydrophobicContact CG2-CG1 3.93Å; E183-V187 WeakPolarHBondContact O-CG2 3.43Å; E183-V187 PolarHBondContact O-N 2.74Å; V187-R189 VanDerWaalsContact C-N 3.33Å; V187-R189 PolarHBondContact O-N 3.28Å; V187-Q190 PolarHBondContact O-N 2.96Å; V187-F191 HydrophobicContact CG1-CD2 4.05Å; V187-F191 WeakPolarHBondContact O-CD2 3.34Å; V187-F191 PolarHBondContact O-N 2.71Å; V187-L193 HydrophobicContact CG1-CD1 4.37Å
188	A	98.9	Very high	98.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-41.7	179.4	0	0	0	0	0	112.3	V156 A184 Y185 S186 N192 L193 P195	V156-A188 HydrophobicContact CG1-CB 4.07Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.2Å; Y185-A188 WeakPolarHBondContact O-CB 3.24Å; Y185-A188 PolarHBondContact O-N 3.43Å; S186-A188 VanDerWaalsContact C-N 3.3Å; S186-A188 PolarHBondContact O-N 2.75Å; A188-N192 CarbonylContact O-C 3.57Å; A188-N192 WeakPolarHBondContact O-CA 3.39Å; A188-N192 PolarHBondContact O-N 2.99Å; A188-L193 HydrophobicContact CB-CB 4.34Å; A188-L193 PolarHBondContact O-N 2.86Å; A188-P195 HydrophobicContact CB-CB 3.96Å
189	R	98.8	Very high	98.9	Very high	150 Å²	150	52 Å²	52	57%	0.566	26%	0.257	S	S	*	.	H	α-helix	trans	-69.4	-42.5	176.5	-65.6	-51.5	-174.6	-176.5	0.6	112.9	Y185 S186 V187 F191	Y185-R189 HydrophobicContact CD1-CG 4.02Å; Y185-R189 HydrophobicContact CE1-CG 3.62Å; Y185-R189 HydrophobicContact CE2-CG 4.43Å; Y185-R189 WeakPolarHBondContact O-CG 3.46Å; Y185-R189 PolarHBondContact O-N 3.26Å; Y185-R189 PolarHBondContact OH-NE 3.06Å; Y185-R189 PolarHBondContact OH-NH2 3.49Å; S186-R189 PolarHBondContact O-N 3.2Å; V187-R189 VanDerWaalsContact C-N 3.33Å; V187-R189 PolarHBondContact O-N 3.28Å; R189-F191 VanDerWaalsContact C-N 3.31Å; R189-F191 PolarHBondContact O-N 3.11Å
190	Q	98.9	Very high	98.9	Very high	137 Å²	137	46 Å²	46	64%	0.64	23%	0.228	S	C	*	.	H	α-helix	trans	-62.2	-39.2	-179.5	-178.8	176.6	-5.7	0	0	112.3	S186 V187	S186-Q190 WeakPolarHBondContact O-CB 3.42Å; S186-Q190 PolarHBondContact O-N 3.4Å; V187-Q190 PolarHBondContact O-N 2.96Å
191	F	98.8	Very high	98.9	Very high	66 Å²	66	43.7 Å²	43.7	29%	0.289	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	12.1	-173.9	-61.4	-66.5	0	0	0	114.3	E153 R157 V187 R189 L193	E153-F191 HydrophobicContact CG-CD2 4.13Å; E153-F191 HydrophobicContact CG-CE2 3.95Å; R157-F191 VanDerWaalsContact NH2-CD1 3.34Å; V187-F191 HydrophobicContact CG1-CD2 4.05Å; V187-F191 WeakPolarHBondContact O-CD2 3.34Å; V187-F191 PolarHBondContact O-N 2.71Å; R189-F191 VanDerWaalsContact C-N 3.31Å; R189-F191 PolarHBondContact O-N 3.11Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 HydrophobicContact CB-CD1 3.82Å; F191-L193 HydrophobicContact CB-CG 3.82Å; F191-L193 PolarHBondContact O-N 3Å
192	N	98.8	Very high	98.9	Very high	153 Å²	153	46.1 Å²	46.1	82%	0.818	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	48.6	-177.2	-167	40.7	0	0	0	113.1	A188	A188-N192 CarbonylContact O-C 3.57Å; A188-N192 WeakPolarHBondContact O-CA 3.39Å; A188-N192 PolarHBondContact O-N 2.99Å
193	L	98.9	Very high	98.9	Very high	28 Å²	28	43 Å²	43	15%	0.147	21%	0.213	C	C	.	.			trans	-104.8	176.9	177.9	-51.1	171.5	0	0	0	110.6	V156 R157 T160 V187 A188 F191 P195	V156-L193 HydrophobicContact CB-CD1 4.42Å; V156-L193 HydrophobicContact CG1-CB 3.98Å; V156-L193 HydrophobicContact CG1-CD1 3.83Å; R157-L193 HydrophobicContact CB-CD1 4.42Å; R157-L193 HydrophobicContact CG-CD1 3.47Å; R157-L193 VanDerWaalsContact CG-CD1 3.47Å; R157-L193 HydrophobicContact CG-CD2 4.21Å; T160-L193 HydrophobicContact CG2-CB 4.22Å; T160-L193 HydrophobicContact CG2-CD2 4.13Å; T160-L193 WeakPolarHBondContact OG1-CB 3.37Å; V187-L193 HydrophobicContact CG1-CD1 4.37Å; A188-L193 HydrophobicContact CB-CB 4.34Å; A188-L193 PolarHBondContact O-N 2.86Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 HydrophobicContact CB-CD1 3.82Å; F191-L193 HydrophobicContact CB-CG 3.82Å; F191-L193 PolarHBondContact O-N 3Å; L193-P195 WeakPolarHBondContact O-CD 3.43Å
194	T	98.9	Very high	98.9	Very high	41 Å²	41	39.2 Å²	39.2	25%	0.252	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-83.9	120.6	-179.4	-55	0	0	0	0	110.2	T160 I163 W171	T160-T194 PolarHBondContact OG1-N 2.86Å; I163-T194 HydrophobicContact CD1-CG2 3.89Å; W171-T194 PolarHBondContact NE1-O 3.4Å
195	P	98.9	Very high	98.8	Very high	34 Å²	34	40.5 Å²	40.5	22%	0.221	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.8	159.2	174.7	31.1	-34.3	0	0	0	112.1	W171 Y185 A188 L193	W171-P195 VanDerWaalsContact NE1-C 3.28Å; W171-P195 PolarHBondContact NE1-O 2.92Å; Y185-P195 HydrophobicContact CD2-CB 3.75Å; Y185-P195 HydrophobicContact CE2-CB 4.26Å; A188-P195 HydrophobicContact CB-CB 3.96Å; L193-P195 WeakPolarHBondContact O-CD 3.43Å
196	P	98.9	Very high	98.8	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.032	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-70.5	146.7	175.3	29.9	-31.7	0	0	0	110.6	W171 T173 A184	W171-P196 HydrophobicContact CD2-CB 3.97Å; W171-P196 HydrophobicContact CE3-CB 4.05Å; W171-P196 HydrophobicContact CH2-CB 3.9Å; W171-P196 HydrophobicContact CH2-CG 3.98Å; W171-P196 HydrophobicContact CZ2-CB 3.8Å; W171-P196 VanDerWaalsContact CZ2-CD 3.41Å; W171-P196 HydrophobicContact CZ2-CG 3.91Å; W171-P196 HydrophobicContact CZ3-CB 4.01Å; W171-P196 WeakPolarHBondContact O-CA 3.4Å; T173-P196 HydrophobicContact CG2-CB 4.29Å; T173-P196 HydrophobicContact CG2-CG 4.48Å; A184-P196 HydrophobicContact CB-CG 4.31Å
197	I	98.9	Very high	98.8	Very high	22 Å²	22	41.3 Å²	41.3	11%	0.113	20%	0.199	C	C	.	.			trans	-99.7	-16.5	-179.3	65.8	159.9	0	0	0	113.8	L28 L33 V140 Y170 W171 G225	L28-I197 HydrophobicContact CD2-CD1 3.94Å; L28-I197 HydrophobicContact CG-CD1 4.41Å; L33-I197 HydrophobicContact CD2-CD1 4.41Å; V140-I197 HydrophobicContact CG2-CD1 4.36Å; Y170-I197 VanDerWaalsContact CB-CD1 3.49Å; Y170-I197 HydrophobicContact CD1-CD1 3.98Å; Y170-I197 HydrophobicContact CD1-CG2 3.97Å; Y170-I197 HydrophobicContact CD2-CD1 4.05Å; Y170-I197 HydrophobicContact CG-CD1 3.57Å; Y170-I197 HydrophobicContact CG-CG1 4.37Å; W171-I197 PolarHBondContact O-N 2.93Å; I197-G225 PolarHBondContact O-N 3.39Å
198	C	98.8	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	144.9	-169.4	-177	0	0	0	0	111.2	L28 F142 G172 T173 G225 M227	L28-C198 HydrophobicContact CD1-CB 4.16Å; L28-C198 HydrophobicContact CD2-CB 3.9Å; L28-C198 HydrophobicContact CG-CB 3.94Å; F142-C198 HydrophobicContact CE1-CB 3.99Å; F142-C198 HydrophobicContact CZ-CB 4.14Å; G172-C198 CarbonylContact C-O 3.53Å; G172-C198 WeakPolarHBondContact CA-O 3.45Å; T173-C198 PolarHBondContact N-O 3.06Å; C198-G225 CarbonylContact C-O 3.48Å; C198-G225 WeakPolarHBondContact CA-O 3.44Å; C198-M227 WeakPolarHBondContact SG-CB 3.48Å
199	E	98.9	Very high	98.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.8	162.7	165.7	58.3	-162.7	0	0	109.9	T173 S174 R175 W176 I181 A201 K210 L215 V224 G225 M227	T173-E199 WeakPolarHBondContact CB-OE2 3.5Å; T173-E199 CarbonylContact O-C 3.43Å; T173-E199 WeakPolarHBondContact O-CA 3.49Å; T173-E199 VanDerWaalsContact O-OE2 3.08Å; T173-E199 PolarHBondContact OG1-OE2 3.28Å; S174-E199 PolarHBondContact N-OE2 3.04Å; R175-E199 WeakPolarHBondContact CA-OE1 3.37Å; R175-E199 PolarHBondContact N-OE1 3.16Å; W176-E199 PolarHBondContact N-OE1 2.8Å; I181-E199 HydrophobicContact CD1-CB 3.86Å; I181-E199 HydrophobicContact CD1-CG 3.85Å; E199-A201 HydrophobicContact CG-CB 4.14Å; E199-K210 IonicContact OE1-NZ 2.77Å; E199-K210 PolarHBondContact OE1-NZ 3.12Å; E199-L215 HydrophobicContact CB-CD2 4.24Å; E199-L215 HydrophobicContact CG-CD1 4.36Å; E199-L215 HydrophobicContact CG-CD2 3.95Å; E199-V224 HydrophobicContact CB-CG1 4.15Å; E199-G225 PolarHBondContact N-O 3.36Å; E199-M227 PolarHBondContact O-N 2.87Å
200	Q	98.9	Very high	98.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	99.5	174	-141	-172	68.8	0	0	110.7	D71 K104 F142 T173 S174 R175 M227 W229 L307	D71-Q200 PolarHBondContact OD1-NE2 3.43Å; K104-Q200 VanDerWaalsContact CE-OE1 3.22Å; F142-Q200 HydrophobicContact CD1-CB 4.26Å; F142-Q200 HydrophobicContact CE1-CB 4.08Å; T173-Q200 PolarHBondContact O-N 3.37Å; S174-Q200 WeakPolarHBondContact CA-O 3.15Å; R175-Q200 PolarHBondContact N-O 2.85Å; Q200-M227 CarbonylContact C-O 3.52Å; Q200-M227 WeakPolarHBondContact CA-O 3.3Å; Q200-M227 HydrophobicContact CG-CB 4.18Å; Q200-M227 HydrophobicContact CG-CG 4.1Å; Q200-M227 WeakPolarHBondContact CG-O 3.1Å; Q200-M227 HydrophobicContact CG-SD 4.15Å; Q200-M227 PolarHBondContact NE2-SD 3.2Å; Q200-M227 VanDerWaalsContact NE2-SD 3.43Å; Q200-W229 PolarHBondContact O-NE1 3.3Å; Q200-W229 VanDerWaalsContact O-NE1 3.09Å; Q200-L307 HydrophobicContact CG-CD1 4.16Å
201	A	98.7	Very high	98.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.1	-169.8	0	0	0	0	0	114.2	E199 Y203 K210 V211 L215 M227 T228 W229	E199-A201 HydrophobicContact CG-CB 4.14Å; A201-Y203 PolarHBondContact O-N 2.88Å; A201-K210 HydrophobicContact CB-CD 4.29Å; A201-V211 HydrophobicContact CB-CG2 3.77Å; A201-L215 HydrophobicContact CB-CD1 3.96Å; A201-M227 PolarHBondContact N-O 3.32Å; A201-M227 VanDerWaalsContact N-O 3.11Å; A201-T228 CarbonylContact O-C 3.3Å; A201-T228 WeakPolarHBondContact O-CA 3.25Å; A201-W229 VanDerWaalsContact O-CD1 3.27Å; A201-W229 PolarHBondContact O-N 3.44Å
202	E	98.8	Very high	98.6	Very high	51 Å²	51	38.2 Å²	38.2	24%	0.238	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.1	172.5	-163.1	163.7	-158.4	0	0	109.3	H204 Q207 W229	E202-H204 IonicContact OE1-NE2 3.9Å; E202-H204 PolarHBondContact OE1-NE2 2.95Å; E202-Q207 HydrophobicContact CB-CG 3.94Å; E202-Q207 HydrophobicContact CG-CB 4.27Å; E202-Q207 HydrophobicContact CG-CG 3.88Å; E202-W229 HydrophobicContact CB-CD2 4.1Å; E202-W229 HydrophobicContact CB-CE3 4.05Å; E202-W229 HydrophobicContact CB-CH2 3.4Å; E202-W229 VanDerWaalsContact CB-CH2 3.4Å; E202-W229 HydrophobicContact CB-CZ2 3.48Å; E202-W229 VanDerWaalsContact CB-CZ2 3.48Å; E202-W229 HydrophobicContact CB-CZ3 3.71Å; E202-W229 HydrophobicContact CG-CD2 4.39Å; E202-W229 HydrophobicContact CG-CE3 3.86Å; E202-W229 HydrophobicContact CG-CH2 3.57Å; E202-W229 HydrophobicContact CG-CZ2 4.16Å; E202-W229 HydrophobicContact CG-CZ3 3.4Å; E202-W229 VanDerWaalsContact N-CE2 3.27Å; E202-W229 WeakPolarHBondContact OE1-CZ3 3.5Å; E202-W229 WeakPolarHBondContact OE2-CH2 3.5Å
203	Y	98.8	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.			trans	-147.8	123.2	174.6	-166.9	-137.9	0	0	0	111.7	A201 Q207 R208 V211 E212 T228 W229 P231 W296 C297 R299 V303	A201-Y203 PolarHBondContact O-N 2.88Å; Y203-Q207 WeakPolarHBondContact CA-O 3.33Å; Y203-Q207 WeakPolarHBondContact CD2-O 3.33Å; Y203-R208 HydrophobicContact CE2-CB 4.42Å; Y203-R208 HydrophobicContact CE2-CG 4.45Å; Y203-V211 HydrophobicContact CD1-CG1 3.85Å; Y203-V211 HydrophobicContact CD2-CB 3.61Å; Y203-V211 HydrophobicContact CD2-CG1 3.77Å; Y203-V211 HydrophobicContact CD2-CG2 4.1Å; Y203-V211 HydrophobicContact CE1-CG1 4.03Å; Y203-V211 HydrophobicContact CE2-CB 4.04Å; Y203-V211 HydrophobicContact CE2-CG1 4.01Å; Y203-V211 HydrophobicContact CG-CB 3.93Å; Y203-V211 HydrophobicContact CG-CG1 3.71Å; Y203-V211 HydrophobicContact CG-CG2 4.13Å; Y203-E212 HydrophobicContact CE2-CG 3.76Å; Y203-E212 WeakPolarHBondContact OH-CG 3.32Å; Y203-E212 PolarHBondContact OH-OE1 2.77Å; Y203-T228 HydrophobicContact CD1-CG2 3.96Å; Y203-T228 HydrophobicContact CG-CG2 4.09Å; Y203-W229 PolarHBondContact N-O 3.4Å; Y203-W229 VanDerWaalsContact N-O 3.17Å; Y203-P231 WeakPolarHBondContact O-CA 3.41Å; Y203-W296 HydrophobicContact CD1-CZ3 4.49Å; Y203-W296 HydrophobicContact CD2-CZ3 4.37Å; Y203-W296 HydrophobicContact CE1-CH2 4.46Å; Y203-W296 AromaticContact CE1-CZ3 3.9Å; Y203-W296 HydrophobicContact CE1-CZ3 3.9Å; Y203-W296 AromaticContact CE2-CH2 3.66Å; Y203-W296 HydrophobicContact CE2-CH2 3.66Å; Y203-W296 AromaticContact CE2-CZ3 3.72Å; Y203-W296 HydrophobicContact CE2-CZ3 3.72Å; Y203-W296 AromaticContact CZ-CH2 3.59Å; Y203-W296 AromaticContact CZ-CZ3 3.46Å; Y203-W296 VanDerWaalsContact CZ-CZ3 3.46Å; Y203-W296 WeakPolarHBondContact OH-CH2 3.37Å; Y203-C297 HydrophobicContact CD1-CB 3.88Å; Y203-C297 HydrophobicContact CE1-CB 4.02Å; Y203-C297 WeakPolarHBondContact CE1-O 3.5Å; Y203-R299 PolarHBondContact OH-NH1 2.75Å; Y203-R299 VanDerWaalsContact OH-NH1 3.11Å; Y203-V303 HydrophobicContact CD1-CG2 4.15Å; Y203-V303 HydrophobicContact CE1-CG2 4.05Å
204	H	98.6	Very high	98.5	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-163.7	175.1	171.8	49	82	0	0	0	108.6	E202 F206 Q207 R208 S230 P231	E202-H204 IonicContact OE1-NE2 3.9Å; E202-H204 PolarHBondContact OE1-NE2 2.95Å; H204-F206 PolarHBondContact ND1-N 3.04Å; H204-F206 PolarHBondContact O-N 3.29Å; H204-Q207 WeakPolarHBondContact CE1-CB 3.45Å; H204-Q207 PolarHBondContact N-O 3.01Å; H204-Q207 VanDerWaalsContact N-O 3.17Å; H204-Q207 PolarHBondContact ND1-N 3.15Å; H204-Q207 WeakPolarHBondContact NE2-CB 3.36Å; H204-Q207 CarbonylContact O-C 3.52Å; H204-Q207 PolarHBondContact O-N 3.41Å; H204-R208 WeakPolarHBondContact O-CG 3.24Å; H204-S230 PolarHBondContact CD2-O 3.23Å; H204-P231 VanDerWaalsContact CB-O 3.24Å; H204-P231 WeakPolarHBondContact CB-O 3.29Å
205	M	98.3	Very high	98.4	Very high	27 Å²	27	34.7 Å²	34.7	13%	0.133	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.9	-176.5	-69.8	174.5	166.5	0	0	115	R208 L278 L292 A293 W296	M205-R208 VanDerWaalsContact O-CD 3.29Å; M205-R208 WeakPolarHBondContact O-CD 3.4Å; M205-L278 HydrophobicContact SD-CD1 3.6Å; M205-L278 VanDerWaalsContact SD-CD1 3.6Å; M205-L292 HydrophobicContact CE-CG 4.32Å; M205-A293 HydrophobicContact CE-CB 4.4Å; M205-A293 HydrophobicContact SD-CB 4.46Å; M205-W296 HydrophobicContact CE-CB 3.7Å; M205-W296 HydrophobicContact CE-CD2 4.09Å; M205-W296 HydrophobicContact CE-CG 3.6Å; M205-W296 HydrophobicContact CG-CD2 3.75Å; M205-W296 HydrophobicContact CG-CE3 3.82Å; M205-W296 HydrophobicContact CG-CG 4.29Å; M205-W296 HydrophobicContact CG-CZ2 4.41Å; M205-W296 HydrophobicContact CG-CZ3 4.26Å
206	F	98.1	Very high	98.4	Very high	46 Å²	46	34.7 Å²	34.7	20%	0.202	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-0.2	178.6	-51.2	-59.2	0	0	0	114.8	H204 V237 Q271 K274 L275	H204-F206 PolarHBondContact ND1-N 3.04Å; H204-F206 PolarHBondContact O-N 3.29Å; F206-V237 HydrophobicContact CD2-CG2 4.26Å; F206-V237 HydrophobicContact CE2-CG2 4.07Å; F206-Q271 HydrophobicContact CD1-CB 4.46Å; F206-Q271 HydrophobicContact CD1-CG 3.86Å; F206-Q271 HydrophobicContact CD2-CB 4.29Å; F206-Q271 HydrophobicContact CD2-CG 4.09Å; F206-Q271 HydrophobicContact CE1-CB 4.1Å; F206-Q271 HydrophobicContact CE1-CG 3.97Å; F206-Q271 HydrophobicContact CE2-CB 3.91Å; F206-Q271 HydrophobicContact CE2-CG 4.19Å; F206-Q271 HydrophobicContact CG-CG 3.93Å; F206-Q271 HydrophobicContact CZ-CB 3.81Å; F206-Q271 HydrophobicContact CZ-CG 4.13Å; F206-K274 HydrophobicContact CE1-CB 4.36Å; F206-K274 HydrophobicContact CE1-CD 4.15Å; F206-L275 HydrophobicContact CE2-CD1 4.44Å; F206-L275 HydrophobicContact CE2-CD2 3.92Å; F206-L275 HydrophobicContact CE2-CG 4.21Å; F206-L275 HydrophobicContact CZ-CD2 3.84Å; F206-L275 HydrophobicContact CZ-CG 4Å
207	Q	98.3	Very high	98.3	Very high	84 Å²	84	38.9 Å²	38.9	39%	0.393	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-142.1	97.6	177.2	-177.2	62.7	24.7	0	0	108.2	E202 Y203 H204	E202-Q207 HydrophobicContact CB-CG 3.94Å; E202-Q207 HydrophobicContact CG-CB 4.27Å; E202-Q207 HydrophobicContact CG-CG 3.88Å; Y203-Q207 WeakPolarHBondContact CA-O 3.33Å; Y203-Q207 WeakPolarHBondContact CD2-O 3.33Å; H204-Q207 WeakPolarHBondContact CE1-CB 3.45Å; H204-Q207 PolarHBondContact N-O 3.01Å; H204-Q207 VanDerWaalsContact N-O 3.17Å; H204-Q207 PolarHBondContact ND1-N 3.15Å; H204-Q207 WeakPolarHBondContact NE2-CB 3.36Å; H204-Q207 CarbonylContact O-C 3.52Å; H204-Q207 PolarHBondContact O-N 3.41Å
208	R	98.3	Very high	98.3	Very high	111 Å²	111	38.2 Å²	38.2	42%	0.419	18%	0.183	S	C	.	.			trans	-125.4	-40.8	-162.1	-60.2	179.2	51.1	-162.3	-7.3	114.4	Y203 H204 M205 K210 V211 E212 W296	Y203-R208 HydrophobicContact CE2-CB 4.42Å; Y203-R208 HydrophobicContact CE2-CG 4.45Å; H204-R208 WeakPolarHBondContact O-CG 3.24Å; M205-R208 VanDerWaalsContact O-CD 3.29Å; M205-R208 WeakPolarHBondContact O-CD 3.4Å; R208-K210 PolarHBondContact O-N 3.4Å; R208-V211 PolarHBondContact O-N 3.47Å; R208-V211 VanDerWaalsContact O-N 3.14Å; R208-E212 HydrophobicContact CB-CG 4.4Å; R208-E212 IonicContact CZ-OE1 2.71Å; R208-E212 IonicContact CZ-OE2 2.77Å; R208-E212 IonicContact NE-OE1 3.16Å; R208-E212 PolarHBondContact NE-OE1 3Å; R208-E212 IonicContact NE-OE2 2.58Å; R208-E212 PolarHBondContact NE-OE2 3.29Å; R208-E212 IonicContact NH2-OE1 2.6Å; R208-E212 PolarHBondContact NH2-OE1 3.24Å; R208-E212 IonicContact NH2-OE2 3.2Å; R208-E212 PolarHBondContact NH2-OE2 2.94Å; R208-E212 PolarHBondContact O-N 2.94Å; R208-W296 HydrophobicContact CG-CH2 3.82Å; R208-W296 HydrophobicContact CG-CZ2 4.43Å
209	E	97.9	Very high	98.3	Very high	101 Å²	101	41.2 Å²	41.2	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-50.8	-55.9	-164	-176.6	-77.2	146	0	0	112.8	V211 E212 V213 Q214	E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 2.78Å; E209-E212 PolarHBondContact O-N 2.75Å; E209-V213 VanDerWaalsContact O-CB 3.24Å; E209-V213 WeakPolarHBondContact O-CB 3.15Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 3.01Å; E209-Q214 VanDerWaalsContact CD-NE2 3.3Å; E209-Q214 PolarHBondContact OE1-NE2 2.55Å; E209-Q214 PolarHBondContact OE2-NE2 3.11Å
210	K	98.1	Very high	98.2	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.139	22%	0.222	C	C	.	.	I	π-helix	trans	-55.8	-45.3	-177.5	178.8	174.1	169.2	-178.2	0	113	W176 E199 A201 R208 Q214 L215	W176-K210 VanDerWaalsContact O-CE 3.28Å; W176-K210 WeakPolarHBondContact O-CE 3.16Å; W176-K210 PolarHBondContact O-NZ 3.37Å; E199-K210 IonicContact OE1-NZ 2.77Å; E199-K210 PolarHBondContact OE1-NZ 3.12Å; A201-K210 HydrophobicContact CB-CD 4.29Å; R208-K210 PolarHBondContact O-N 3.4Å; K210-Q214 WeakPolarHBondContact O-CA 3.46Å; K210-Q214 WeakPolarHBondContact O-CB 3.15Å; K210-Q214 PolarHBondContact O-N 2.93Å; K210-L215 HydrophobicContact CG-CD2 4.31Å; K210-L215 HydrophobicContact CG-CG 4.29Å; K210-L215 WeakPolarHBondContact O-CG 3.33Å; K210-L215 PolarHBondContact O-N 2.67Å
211	V	98.2	Very high	98.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	25%	0.248	C	C	.	.	I	π-helix	trans	-81.6	-33.9	-172.6	174.6	0	0	0	0	111.9	A201 Y203 R208 E209 L215 P216 T228 V303	A201-V211 HydrophobicContact CB-CG2 3.77Å; Y203-V211 HydrophobicContact CD1-CG1 3.85Å; Y203-V211 HydrophobicContact CD2-CB 3.61Å; Y203-V211 HydrophobicContact CD2-CG1 3.77Å; Y203-V211 HydrophobicContact CD2-CG2 4.1Å; Y203-V211 HydrophobicContact CE1-CG1 4.03Å; Y203-V211 HydrophobicContact CE2-CB 4.04Å; Y203-V211 HydrophobicContact CE2-CG1 4.01Å; Y203-V211 HydrophobicContact CG-CB 3.93Å; Y203-V211 HydrophobicContact CG-CG1 3.71Å; Y203-V211 HydrophobicContact CG-CG2 4.13Å; R208-V211 PolarHBondContact O-N 3.47Å; R208-V211 VanDerWaalsContact O-N 3.14Å; E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 2.78Å; V211-L215 HydrophobicContact CB-CD1 4.33Å; V211-L215 HydrophobicContact CG2-CD1 3.78Å; V211-P216 WeakPolarHBondContact O-CD 3.27Å; V211-T228 HydrophobicContact CG1-CG2 4.09Å; V211-T228 HydrophobicContact CG2-CG2 4.29Å; V211-V303 HydrophobicContact CG1-CG2 3.86Å
212	E	98.2	Very high	98.2	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.252	25%	0.254	S	S	.	.	I	π-helix	trans	-83.3	-24.2	178.5	-67.6	-175.5	-173.9	0	0	113	Y203 R208 E209 W296 R299	Y203-E212 HydrophobicContact CE2-CG 3.76Å; Y203-E212 WeakPolarHBondContact OH-CG 3.32Å; Y203-E212 PolarHBondContact OH-OE1 2.77Å; R208-E212 HydrophobicContact CB-CG 4.4Å; R208-E212 IonicContact CZ-OE1 2.71Å; R208-E212 IonicContact CZ-OE2 2.77Å; R208-E212 IonicContact NE-OE1 3.16Å; R208-E212 PolarHBondContact NE-OE1 3Å; R208-E212 IonicContact NE-OE2 2.58Å; R208-E212 PolarHBondContact NE-OE2 3.29Å; R208-E212 IonicContact NH2-OE1 2.6Å; R208-E212 PolarHBondContact NH2-OE1 3.24Å; R208-E212 IonicContact NH2-OE2 3.2Å; R208-E212 PolarHBondContact NH2-OE2 2.94Å; R208-E212 PolarHBondContact O-N 2.94Å; E209-E212 PolarHBondContact O-N 2.75Å; E212-W296 VanDerWaalsContact OE1-CH2 3.24Å; E212-W296 WeakPolarHBondContact OE1-CH2 3.31Å; E212-W296 WeakPolarHBondContact OE1-CZ2 3.17Å; E212-R299 IonicContact OE1-CZ 2.79Å; E212-R299 IonicContact OE1-NH2 3.18Å; E212-R299 PolarHBondContact OE1-NH2 3.35Å
213	V	97.4	Very high	98.2	Very high	89 Å²	89	52 Å²	52	54%	0.539	25%	0.247	S	C	.	.	I	π-helix	trans	-115.1	-50.7	-172.9	-174.4	0	0	0	0	112.5	E209	E209-V213 VanDerWaalsContact O-CB 3.24Å; E209-V213 WeakPolarHBondContact O-CB 3.15Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 3.01Å
214	Q	98.1	Very high	98.2	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	25%	0.247	C	C	.	.	I	π-helix	trans	-86.5	-44.5	-170.8	-54.9	-178.3	34.1	0	0	113.3	S178 E209 K210 E217 L218	S178-Q214 PolarHBondContact OG-OE1 3.34Å; E209-Q214 VanDerWaalsContact CD-NE2 3.3Å; E209-Q214 PolarHBondContact OE1-NE2 2.55Å; E209-Q214 PolarHBondContact OE2-NE2 3.11Å; K210-Q214 WeakPolarHBondContact O-CA 3.46Å; K210-Q214 WeakPolarHBondContact O-CB 3.15Å; K210-Q214 PolarHBondContact O-N 2.93Å; Q214-E217 PolarHBondContact O-N 2.97Å; Q214-L218 PolarHBondContact O-N 3.38Å
215	L	98	Very high	98.2	Very high	10 Å²	10	52 Å²	52	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-34.7	-176.6	-60.3	-168.8	0	0	0	114.4	E199 A201 K210 V211 E217 L218 F219 A226	E199-L215 HydrophobicContact CB-CD2 4.24Å; E199-L215 HydrophobicContact CG-CD1 4.36Å; E199-L215 HydrophobicContact CG-CD2 3.95Å; A201-L215 HydrophobicContact CB-CD1 3.96Å; K210-L215 HydrophobicContact CG-CD2 4.31Å; K210-L215 HydrophobicContact CG-CG 4.29Å; K210-L215 WeakPolarHBondContact O-CG 3.33Å; K210-L215 PolarHBondContact O-N 2.67Å; V211-L215 HydrophobicContact CB-CD1 4.33Å; V211-L215 HydrophobicContact CG2-CD1 3.78Å; L215-E217 VanDerWaalsContact C-N 3.3Å; L215-E217 PolarHBondContact O-N 3Å; L215-L218 HydrophobicContact CD2-CD1 3.84Å; L215-L218 PolarHBondContact O-N 2.93Å; L215-F219 PolarHBondContact O-N 3.49Å; L215-A226 HydrophobicContact CB-CB 4.49Å; L215-A226 HydrophobicContact CD1-CB 3.55Å
216	P	98.3	Very high	98.2	Very high	34 Å²	34	50.8 Å²	50.8	22%	0.221	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-41.9	173.5	-26.8	37.1	0	0	0	112.2	V211 L218 F219 H220	V211-P216 WeakPolarHBondContact O-CD 3.27Å; P216-L218 PolarHBondContact O-N 3.09Å; P216-F219 WeakPolarHBondContact O-CB 3.34Å; P216-F219 PolarHBondContact O-N 2.74Å; P216-H220 PolarHBondContact O-CD2 2.88Å; P216-H220 PolarHBondContact O-N 2.91Å
217	E	97.7	Very high	98.2	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-42.1	176.1	-75.6	-61.9	124.4	0	0	112.1	Q214 L215 H220 K221	Q214-E217 PolarHBondContact O-N 2.97Å; L215-E217 VanDerWaalsContact C-N 3.3Å; L215-E217 PolarHBondContact O-N 3Å; E217-H220 PolarHBondContact O-N 3.24Å; E217-K221 WeakPolarHBondContact O-CB 3.36Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.32Å; E217-K221 PolarHBondContact O-N 3.21Å; E217-K221 WeakPolarHBondContact OE2-CE 3.26Å; E217-K221 IonicContact OE2-NZ 2.75Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å
218	L	98.4	Very high	98.3	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-40.4	175.4	-66.3	176.4	0	0	0	112	I181 M182 Q214 L215 P216 I222 G223 V224	I181-L218 HydrophobicContact CB-CD1 4.19Å; I181-L218 HydrophobicContact CD1-CD1 3.69Å; I181-L218 HydrophobicContact CG2-CD1 4.13Å; M182-L218 HydrophobicContact CE-CD2 4Å; Q214-L218 PolarHBondContact O-N 3.38Å; L215-L218 HydrophobicContact CD2-CD1 3.84Å; L215-L218 PolarHBondContact O-N 2.93Å; P216-L218 PolarHBondContact O-N 3.09Å; L218-I222 HydrophobicContact CB-CG1 4.44Å; L218-I222 HydrophobicContact CD2-CD1 4.19Å; L218-I222 WeakPolarHBondContact O-CG1 3.22Å; L218-I222 PolarHBondContact O-N 3.37Å; L218-G223 PolarHBondContact O-N 2.58Å; L218-G223 VanDerWaalsContact O-N 3.16Å; L218-V224 HydrophobicContact CB-CB 4.43Å
219	F	98.3	Very high	98.3	Very high	63 Å²	63	41.4 Å²	41.4	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-47.8	175.6	175.2	-96.1	0	0	0	111.4	K30 L215 P216 G223 V224	K30-F219 WeakPolarHBondContact CE-O 3.33Å; K30-F219 HydrophobicContact CG-CD2 4.47Å; K30-F219 HydrophobicContact CG-CE2 3.83Å; K30-F219 HydrophobicContact CG-CZ 4.04Å; K30-F219 PolarHBondContact NZ-O 2.91Å; L215-F219 PolarHBondContact O-N 3.49Å; P216-F219 WeakPolarHBondContact O-CB 3.34Å; P216-F219 PolarHBondContact O-N 2.74Å; F219-G223 WeakPolarHBondContact O-CA 3.49Å; F219-G223 PolarHBondContact O-N 3.21Å; F219-V224 VanDerWaalsContact CA-O 3.3Å; F219-V224 WeakPolarHBondContact CA-O 3.44Å; F219-V224 WeakPolarHBondContact CB-O 3.13Å
220	H	98.1	Very high	98.3	Very high	120 Å²	120	37.3 Å²	37.3	56%	0.556	18%	0.184	S	C	*	.	H	α-helix	trans	-65.6	-46.1	-179.8	-69.1	-56.8	0	0	0	112	K30 P216 E217	K30-H220 PolarHBondContact NZ-O 3.25Å; K30-H220 VanDerWaalsContact NZ-O 3.16Å; P216-H220 PolarHBondContact O-CD2 2.88Å; P216-H220 PolarHBondContact O-N 2.91Å; E217-H220 PolarHBondContact O-N 3.24Å
221	K	98.4	Very high	98.3	Very high	129 Å²	129	36 Å²	36	56%	0.561	18%	0.179	S	C	*	.	H	α-helix	trans	-73.5	-46.3	-175.3	-66.7	-177.3	-152.1	-55.6	0	113.8	M182 E217	M182-K221 HydrophobicContact CE-CB 4.38Å; M182-K221 HydrophobicContact CE-CD 4.33Å; E217-K221 WeakPolarHBondContact O-CB 3.36Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.32Å; E217-K221 PolarHBondContact O-N 3.21Å; E217-K221 WeakPolarHBondContact OE2-CE 3.26Å; E217-K221 IonicContact OE2-NZ 2.75Å; E217-K221 PolarHBondContact OE2-NZ 3.47Å
222	I	98.6	Very high	98.3	Very high	26 Å²	26	36.9 Å²	36.9	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-128.5	-2.8	-169.5	60.9	165.9	0	0	0	114.1	I181 M182 Y185 L218 V224	I181-I222 HydrophobicContact CG2-CD1 4.05Å; M182-I222 HydrophobicContact CE-CD1 4.19Å; M182-I222 HydrophobicContact CE-CG1 4.37Å; M182-I222 HydrophobicContact CE-CG2 3.76Å; M182-I222 HydrophobicContact SD-CD1 4.48Å; M182-I222 HydrophobicContact SD-CG2 3.81Å; Y185-I222 HydrophobicContact CD1-CB 4.3Å; Y185-I222 HydrophobicContact CD1-CG2 3.5Å; Y185-I222 HydrophobicContact CD2-CB 3.69Å; Y185-I222 HydrophobicContact CD2-CD1 4.21Å; Y185-I222 HydrophobicContact CD2-CG2 3.84Å; Y185-I222 HydrophobicContact CE1-CB 4.3Å; Y185-I222 HydrophobicContact CE1-CG2 3.48Å; Y185-I222 VanDerWaalsContact CE1-CG2 3.48Å; Y185-I222 HydrophobicContact CE2-CB 3.7Å; Y185-I222 HydrophobicContact CE2-CG2 3.83Å; Y185-I222 HydrophobicContact CG-CB 3.98Å; Y185-I222 HydrophobicContact CG-CD1 4.11Å; Y185-I222 HydrophobicContact CG-CG2 3.67Å; L218-I222 HydrophobicContact CB-CG1 4.44Å; L218-I222 HydrophobicContact CD2-CD1 4.19Å; L218-I222 WeakPolarHBondContact O-CG1 3.22Å; L218-I222 PolarHBondContact O-N 3.37Å; I222-V224 HydrophobicContact CD1-CB 4.45Å; I222-V224 HydrophobicContact CD1-CG2 3.57Å; I222-V224 HydrophobicContact CG1-CB 4.38Å; I222-V224 HydrophobicContact CG1-CG2 3.82Å
223	G	98.4	Very high	98.3	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	17%	0.173	C	C	.	.			trans	82.3	10.3	173.1	0	0	0	0	0	115.7	K30 L218 F219 G225	K30-G223 PolarHBondContact N-O 3.11Å; L218-G223 PolarHBondContact O-N 2.58Å; L218-G223 VanDerWaalsContact O-N 3.16Å; F219-G223 WeakPolarHBondContact O-CA 3.49Å; F219-G223 PolarHBondContact O-N 3.21Å; G223-G225 PolarHBondContact O-N 2.87Å
224	V	98.6	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.152	C	C	.	.			trans	-69.1	125.6	177.6	172	0	0	0	0	109.9	I181 E199 L218 F219 I222	I181-V224 HydrophobicContact CG2-CG1 4.43Å; I181-V224 HydrophobicContact CG2-CG2 4.06Å; E199-V224 HydrophobicContact CB-CG1 4.15Å; L218-V224 HydrophobicContact CB-CB 4.43Å; F219-V224 VanDerWaalsContact CA-O 3.3Å; F219-V224 WeakPolarHBondContact CA-O 3.44Å; F219-V224 WeakPolarHBondContact CB-O 3.13Å; I222-V224 HydrophobicContact CD1-CB 4.45Å; I222-V224 HydrophobicContact CD1-CG2 3.57Å; I222-V224 HydrophobicContact CG1-CB 4.38Å; I222-V224 HydrophobicContact CG1-CG2 3.82Å
225	G	98.4	Very high	98.2	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	167.4	174.3	0	0	0	0	0	113.5	I197 C198 E199 G223	I197-G225 PolarHBondContact O-N 3.39Å; C198-G225 CarbonylContact C-O 3.48Å; C198-G225 WeakPolarHBondContact CA-O 3.44Å; E199-G225 PolarHBondContact N-O 3.36Å; G223-G225 PolarHBondContact O-N 2.87Å
226	A	98.7	Very high	98.2	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.7	173.9	0	0	0	0	0	111.1	L215 S304	L215-A226 HydrophobicContact CB-CB 4.49Å; L215-A226 HydrophobicContact CD1-CB 3.55Å; A226-S304 PolarHBondContact O-N 2.92Å
227	M	98.8	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.9	167	-179.4	-175.5	-62.6	0	0	108	L28 L69 F142 C198 E199 Q200 A201 S305 L307	L28-M227 HydrophobicContact CD1-CB 4.34Å; L28-M227 HydrophobicContact CD1-CE 4.02Å; L28-M227 HydrophobicContact CD2-CE 3.85Å; L69-M227 HydrophobicContact CD1-CE 3.75Å; L69-M227 HydrophobicContact CD1-SD 4.38Å; L69-M227 HydrophobicContact CD2-CE 3.59Å; L69-M227 HydrophobicContact CD2-CG 4.32Å; L69-M227 HydrophobicContact CD2-SD 3.92Å; L69-M227 HydrophobicContact CG-CE 4.31Å; F142-M227 HydrophobicContact CE2-SD 4.39Å; F142-M227 HydrophobicContact CZ-CE 4.24Å; F142-M227 HydrophobicContact CZ-SD 4.2Å; C198-M227 WeakPolarHBondContact SG-CB 3.48Å; E199-M227 PolarHBondContact O-N 2.87Å; Q200-M227 CarbonylContact C-O 3.52Å; Q200-M227 WeakPolarHBondContact CA-O 3.3Å; Q200-M227 HydrophobicContact CG-CB 4.18Å; Q200-M227 HydrophobicContact CG-CG 4.1Å; Q200-M227 WeakPolarHBondContact CG-O 3.1Å; Q200-M227 HydrophobicContact CG-SD 4.15Å; Q200-M227 PolarHBondContact NE2-SD 3.2Å; Q200-M227 VanDerWaalsContact NE2-SD 3.43Å; A201-M227 PolarHBondContact N-O 3.32Å; A201-M227 VanDerWaalsContact N-O 3.11Å; M227-S305 WeakPolarHBondContact CA-O 3.05Å; M227-L307 HydrophobicContact CG-CD1 4.06Å; M227-L307 HydrophobicContact CG-CD2 4.38Å; M227-L307 HydrophobicContact CG-CG 3.97Å; M227-L307 HydrophobicContact SD-CD1 3.93Å; M227-L307 HydrophobicContact SD-CD2 4.15Å; M227-L307 HydrophobicContact SD-CG 4.18Å
228	T	98.9	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	155.2	-169.9	62.6	0	0	0	0	113	A201 Y203 V211 V303 S305 V306 L307	A201-T228 CarbonylContact O-C 3.3Å; A201-T228 WeakPolarHBondContact O-CA 3.25Å; Y203-T228 HydrophobicContact CD1-CG2 3.96Å; Y203-T228 HydrophobicContact CG-CG2 4.09Å; V211-T228 HydrophobicContact CG1-CG2 4.09Å; V211-T228 HydrophobicContact CG2-CG2 4.29Å; T228-V303 HydrophobicContact CG2-CG1 3.86Å; T228-V303 HydrophobicContact CG2-CG2 3.99Å; T228-S305 PolarHBondContact N-O 2.85Å; T228-S305 PolarHBondContact OG1-O 3.05Å; T228-V306 WeakPolarHBondContact OG1-CG2 3.49Å; T228-L307 WeakPolarHBondContact O-CB 3.43Å; T228-L307 PolarHBondContact O-N 2.89Å
229	W	98.8	Very high	97.9	Very high	43 Å²	43	25 Å²	25	16%	0.163	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	162.7	178.9	56.5	-96.7	0	0	0	113	R175 Q200 A201 E202 Y203 L307	R175-W229 HydrophobicContact CG-CZ2 4.22Å; Q200-W229 PolarHBondContact O-NE1 3.3Å; Q200-W229 VanDerWaalsContact O-NE1 3.09Å; A201-W229 VanDerWaalsContact O-CD1 3.27Å; A201-W229 PolarHBondContact O-N 3.44Å; E202-W229 HydrophobicContact CB-CD2 4.1Å; E202-W229 HydrophobicContact CB-CE3 4.05Å; E202-W229 HydrophobicContact CB-CH2 3.4Å; E202-W229 VanDerWaalsContact CB-CH2 3.4Å; E202-W229 HydrophobicContact CB-CZ2 3.48Å; E202-W229 VanDerWaalsContact CB-CZ2 3.48Å; E202-W229 HydrophobicContact CB-CZ3 3.71Å; E202-W229 HydrophobicContact CG-CD2 4.39Å; E202-W229 HydrophobicContact CG-CE3 3.86Å; E202-W229 HydrophobicContact CG-CH2 3.57Å; E202-W229 HydrophobicContact CG-CZ2 4.16Å; E202-W229 HydrophobicContact CG-CZ3 3.4Å; E202-W229 VanDerWaalsContact N-CE2 3.27Å; E202-W229 WeakPolarHBondContact OE1-CZ3 3.5Å; E202-W229 WeakPolarHBondContact OE2-CH2 3.5Å; Y203-W229 PolarHBondContact N-O 3.4Å; Y203-W229 VanDerWaalsContact N-O 3.17Å; W229-L307 HydrophobicContact CB-CB 4.49Å; W229-L307 HydrophobicContact CB-CD1 4.47Å
230	S	98.2	Very high	97.8	Very high	16 Å²	16	26 Å²	26	11%	0.112	14%	0.138	C	C	.	.			trans	52.3	51.4	-174.3	-71.5	0	0	0	0	114.3	H204 L232 A233	H204-S230 PolarHBondContact CD2-O 3.23Å; S230-L232 PolarHBondContact O-N 3.1Å; S230-A233 WeakPolarHBondContact O-CA 3.5Å; S230-A233 PolarHBondContact O-N 2.75Å
231	P	98.5	Very high	97.7	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.8	-179.6	26.5	-36.8	0	0	0	113.7	Y203 H204 I294 V306 L307 L308	Y203-P231 WeakPolarHBondContact O-CA 3.41Å; H204-P231 VanDerWaalsContact CB-O 3.24Å; H204-P231 WeakPolarHBondContact CB-O 3.29Å; P231-I294 HydrophobicContact CB-CG1 4.09Å; P231-I294 HydrophobicContact CG-CG1 4.27Å; P231-V306 HydrophobicContact CB-CG1 3.52Å; P231-V306 HydrophobicContact CG-CG1 3.57Å; P231-L307 WeakPolarHBondContact CD-O 3.3Å; P231-L308 HydrophobicContact CG-CD2 4.32Å
232	L	98.4	Very high	97.5	Very high	21 Å²	21	16.7 Å²	16.7	11%	0.11	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	15.6	176.8	-55.6	-177.8	0	0	0	113.5	S230 C234 G235 I236 V237 P290 A293 I294	S230-L232 PolarHBondContact O-N 3.1Å; L232-C234 PolarHBondContact O-N 3.42Å; L232-G235 CarbonylContact O-C 3.37Å; L232-G235 VanDerWaalsContact O-C 3.3Å; L232-G235 WeakPolarHBondContact O-CA 3.35Å; L232-G235 PolarHBondContact O-N 3.45Å; L232-I236 PolarHBondContact O-N 2.96Å; L232-V237 HydrophobicContact CB-CB 4.3Å; L232-V237 HydrophobicContact CD2-CB 4.25Å; L232-V237 HydrophobicContact CD2-CG1 4.32Å; L232-V237 PolarHBondContact O-N 3.24Å; L232-P290 HydrophobicContact CD1-CB 3.96Å; L232-P290 HydrophobicContact CD2-CB 4.05Å; L232-A293 HydrophobicContact CD2-CB 3.77Å; L232-I294 HydrophobicContact CD1-CD1 4.46Å; L232-I294 HydrophobicContact CD2-CD1 4.29Å; L232-I294 HydrophobicContact CD2-CG1 4.05Å; L232-I294 HydrophobicContact CG-CD1 4.45Å; L232-I294 HydrophobicContact CG-CG1 4.46Å
233	A	97.6	Very high	97.2	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.033	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	46.2	58.3	-175.4	0	0	0	0	0	112.1	S230 G235 I236 V237	S230-A233 WeakPolarHBondContact O-CA 3.5Å; S230-A233 PolarHBondContact O-N 2.75Å; A233-G235 PolarHBondContact O-N 3.17Å; A233-I236 HydrophobicContact CB-CB 4.11Å; A233-I236 VanDerWaalsContact O-CB 3.31Å; A233-I236 WeakPolarHBondContact O-CB 3.34Å; A233-I236 WeakPolarHBondContact O-CD1 3.3Å; A233-I236 WeakPolarHBondContact O-CG1 3.33Å; A233-I236 PolarHBondContact O-N 3.24Å; A233-V237 HydrophobicContact CB-CG2 3.99Å
234	C	96.4	Very high	97	Very high	15 Å²	15	22 Å²	22	10%	0.101	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	60.4	22.2	-174.6	-64.1	0	0	0	0	115.5	L232 L259	L232-C234 PolarHBondContact O-N 3.42Å; C234-L259 HydrophobicContact CB-CD1 3.76Å; C234-L259 HydrophobicContact CB-CD2 3.73Å; C234-L259 HydrophobicContact CB-CG 4.43Å
235	G	96.4	Very high	97	Very high	13 Å²	13	24 Å²	24	13%	0.134	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	97.7	-3.4	-179	0	0	0	0	0	113.8	L232 A233 V237 S238	L232-G235 CarbonylContact O-C 3.37Å; L232-G235 VanDerWaalsContact O-C 3.3Å; L232-G235 WeakPolarHBondContact O-CA 3.35Å; L232-G235 PolarHBondContact O-N 3.45Å; A233-G235 PolarHBondContact O-N 3.17Å; G235-V237 VanDerWaalsContact C-N 3.27Å; G235-V237 PolarHBondContact O-N 3.32Å; G235-S238 WeakPolarHBondContact O-CB 3.49Å; G235-S238 PolarHBondContact O-N 3.43Å; G235-S238 PolarHBondContact O-OG 3.16Å
236	I	97.7	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-55.7	-44.3	176.5	-66.9	175	0	0	0	111.2	L232 A233 S238 G239 Y241 L259 I263 Q272 L275	L232-I236 PolarHBondContact O-N 2.96Å; A233-I236 HydrophobicContact CB-CB 4.11Å; A233-I236 VanDerWaalsContact O-CB 3.31Å; A233-I236 WeakPolarHBondContact O-CB 3.34Å; A233-I236 WeakPolarHBondContact O-CD1 3.3Å; A233-I236 WeakPolarHBondContact O-CG1 3.33Å; A233-I236 PolarHBondContact O-N 3.24Å; I236-S238 PolarHBondContact O-N 3.35Å; I236-G239 PolarHBondContact O-N 3.17Å; I236-Y241 HydrophobicContact CG1-CD2 4.29Å; I236-Y241 HydrophobicContact CG1-CE2 4.31Å; I236-L259 HydrophobicContact CD1-CD1 4.04Å; I236-I263 HydrophobicContact CD1-CD1 4.41Å; I236-I263 HydrophobicContact CD1-CG1 3.71Å; I236-I263 HydrophobicContact CG1-CD1 4.08Å; I236-I263 HydrophobicContact CG1-CG1 3.75Å; I236-Q272 PolarHBondContact O-NE2 3.26Å; I236-L275 HydrophobicContact CG2-CD1 4.38Å; I236-L275 WeakPolarHBondContact O-CD1 2.87Å
237	V	97.8	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-68.8	-14.2	-175.6	-177.5	0	0	0	0	112.8	F206 L232 A233 G235 G239 L275 L289 A293	F206-V237 HydrophobicContact CD2-CG2 4.26Å; F206-V237 HydrophobicContact CE2-CG2 4.07Å; L232-V237 HydrophobicContact CB-CB 4.3Å; L232-V237 HydrophobicContact CD2-CB 4.25Å; L232-V237 HydrophobicContact CD2-CG1 4.32Å; L232-V237 PolarHBondContact O-N 3.24Å; A233-V237 HydrophobicContact CB-CG2 3.99Å; G235-V237 VanDerWaalsContact C-N 3.27Å; G235-V237 PolarHBondContact O-N 3.32Å; V237-G239 PolarHBondContact O-N 2.97Å; V237-L275 HydrophobicContact CB-CD2 4.27Å; V237-L275 HydrophobicContact CG1-CD2 3.88Å; V237-L289 WeakPolarHBondContact O-CD2 3.45Å; V237-L289 VanDerWaalsContact O-CG 3.27Å; V237-L289 WeakPolarHBondContact O-CG 3.49Å; V237-A293 HydrophobicContact CG1-CB 3.4Å
238	S	96.2	Very high	96.4	Very high	32 Å²	32	40.4 Å²	40.4	22%	0.224	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-70.6	-8.6	173.6	69.5	0	0	0	0	114.3	G235 I236 K240	G235-S238 WeakPolarHBondContact O-CB 3.49Å; G235-S238 PolarHBondContact O-N 3.43Å; G235-S238 PolarHBondContact O-OG 3.16Å; I236-S238 PolarHBondContact O-N 3.35Å; S238-K240 PolarHBondContact O-N 3.19Å; S238-K240 WeakPolarHBondContact OG-CE 3.19Å; S238-K240 WeakPolarHBondContact OG-CG 3.47Å; S238-K240 PolarHBondContact OG-N 3.34Å
239	G	95.1	Very high	96.3	Very high	24 Å²	24	40.9 Å²	40.9	25%	0.247	24%	0.235	C	C	.	.	S	Bend	trans	76.1	-4.3	-175.5	0	0	0	0	0	114.6	I236 V237 Y241 D242	I236-G239 PolarHBondContact O-N 3.17Å; V237-G239 PolarHBondContact O-N 2.97Å; G239-Y241 PolarHBondContact O-N 3.5Å; G239-D242 PolarHBondContact O-N 3.14Å; G239-D242 VanDerWaalsContact O-N 3.14Å
240	K	96	Very high	96.1	Very high	82 Å²	82	40.5 Å²	40.5	36%	0.357	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14	-176.3	77.2	179.9	70.4	-167.4	0	115.3	S238 P246	S238-K240 PolarHBondContact O-N 3.19Å; S238-K240 WeakPolarHBondContact OG-CE 3.19Å; S238-K240 WeakPolarHBondContact OG-CG 3.47Å; S238-K240 PolarHBondContact OG-N 3.34Å; K240-P246 WeakPolarHBondContact O-CG 3.37Å
241	Y	96.9	Very high	96.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9	-177.4	-59.3	-71.9	0	0	0	114.5	I236 G239 S243 G244 I245 S249 A251 I263	I236-Y241 HydrophobicContact CG1-CD2 4.29Å; I236-Y241 HydrophobicContact CG1-CE2 4.31Å; G239-Y241 PolarHBondContact O-N 3.5Å; Y241-S243 VanDerWaalsContact C-N 3.26Å; Y241-S243 PolarHBondContact O-N 3.1Å; Y241-G244 CarbonylContact C-O 3.57Å; Y241-G244 VanDerWaalsContact CA-O 3.27Å; Y241-G244 WeakPolarHBondContact CA-O 3.42Å; Y241-G244 PolarHBondContact O-N 3.04Å; Y241-I245 HydrophobicContact CD1-CD1 3.9Å; Y241-I245 HydrophobicContact CE1-CD1 4.28Å; Y241-S249 WeakPolarHBondContact CE1-OG 3.36Å; Y241-S249 WeakPolarHBondContact OH-CB 3.31Å; Y241-A251 HydrophobicContact CE1-CB 3.77Å; Y241-I263 HydrophobicContact CD1-CD1 3.93Å; Y241-I263 HydrophobicContact CD1-CG2 4.3Å; Y241-I263 HydrophobicContact CD2-CD1 3.92Å; Y241-I263 HydrophobicContact CE1-CD1 3.84Å; Y241-I263 HydrophobicContact CE2-CD1 3.8Å; Y241-I263 HydrophobicContact CG-CD1 3.96Å; Y241-I263 HydrophobicContact CG-CG2 4.04Å
242	D	92.6	Very high	95.9	Very high	52 Å²	52	42.2 Å²	42.2	28%	0.278	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-43.7	-179.1	-176.5	39.1	0	0	0	112.2	G239 R269 K276	G239-D242 PolarHBondContact O-N 3.14Å; G239-D242 VanDerWaalsContact O-N 3.14Å; D242-R269 PolarHBondContact O-NH1 3.41Å; D242-K276 VanDerWaalsContact CG-NZ 3.28Å; D242-K276 WeakPolarHBondContact OD1-CE 3.32Å; D242-K276 IonicContact OD1-NZ 3.8Å; D242-K276 PolarHBondContact OD1-NZ 2.95Å; D242-K276 WeakPolarHBondContact OD2-CE 3.41Å; D242-K276 IonicContact OD2-NZ 2.62Å; D242-K276 PolarHBondContact OD2-NZ 3.2Å
243	S	93.3	Very high	95.8	Very high	123 Å²	123	43.4 Å²	43.4	86%	0.86	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	28.3	-176.3	-63	0	0	0	0	114.1	Y241	Y241-S243 VanDerWaalsContact C-N 3.26Å; Y241-S243 PolarHBondContact O-N 3.1Å
244	G	94.6	Very high	95.6	Very high	22 Å²	22	53.4 Å²	53.4	23%	0.227	29%	0.294	C	S	.	.	S	Bend	trans	112.5	-154	176.9	0	0	0	0	0	113.2	Y241 P246	Y241-G244 CarbonylContact C-O 3.57Å; Y241-G244 VanDerWaalsContact CA-O 3.27Å; Y241-G244 WeakPolarHBondContact CA-O 3.42Å; Y241-G244 PolarHBondContact O-N 3.04Å; G244-P246 WeakPolarHBondContact O-CD 3.45Å
245	I	97.4	Very high	95.5	Very high	44 Å²	44	55.6 Å²	55.6	23%	0.226	32%	0.32	C	S	.	.			trans	-102.8	105.4	-177.8	-53.8	-58.4	0	0	0	109.4	Y241 A251 K260 I263 L264	Y241-I245 HydrophobicContact CD1-CD1 3.9Å; Y241-I245 HydrophobicContact CE1-CD1 4.28Å; I245-A251 HydrophobicContact CD1-CB 4.16Å; I245-A251 HydrophobicContact CG2-CB 4.05Å; I245-K260 HydrophobicContact CD1-CG 4.22Å; I245-K260 HydrophobicContact CG1-CD 4.29Å; I245-K260 HydrophobicContact CG1-CG 4.04Å; I245-I263 HydrophobicContact CD1-CB 4.25Å; I245-I263 HydrophobicContact CD1-CD1 4.29Å; I245-I263 HydrophobicContact CD1-CG2 3.76Å; I245-L264 HydrophobicContact CD1-CD2 4.42Å; I245-L264 HydrophobicContact CD1-CG 4.46Å
246	P	96.7	Very high	95.4	Very high	41 Å²	41	56.8 Å²	56.8	27%	0.266	32%	0.32	S	S	.	.			trans	-62.4	146.6	177.1	-21.2	32.5	0	0	0	111.5	K240 G244 S249	K240-P246 WeakPolarHBondContact O-CG 3.37Å; G244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-S249 VanDerWaalsContact O-CB 3.25Å; P246-S249 WeakPolarHBondContact O-CB 3.24Å; P246-S249 PolarHBondContact O-N 2.62Å; P246-S249 PolarHBondContact O-OG 2.68Å
247	P	94.6	Very high	95.3	Very high	101 Å²	101	61.6 Å²	61.6	66%	0.656	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	150.1	170.4	28.4	-34.7	0	0	0	110.2	S249	P247-S249 PolarHBondContact O-N 3.4Å
248	Y	93.4	Very high	95.3	Very high	208 Å²	208	67.5 Å²	67.5	82%	0.816	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	0.7	-178	-49.1	-75.5	0	0	0	115.9	Q49 S252	Q49-Y248 PolarHBondContact NE2-O 3.12Å; Y248-S252 PolarHBondContact N-OG 2.71Å; Y248-S252 VanDerWaalsContact N-OG 3.16Å
249	S	95.9	Very high	95.3	Very high	10 Å²	10	66 Å²	66	7%	0.07	36%	0.355	C	S	.	.	S	Bend	trans	-68.9	158.3	171.8	75.7	0	0	0	0	110.8	Y241 P246 P247 A251 S252	Y241-S249 WeakPolarHBondContact CE1-OG 3.36Å; Y241-S249 WeakPolarHBondContact OH-CB 3.31Å; P246-S249 VanDerWaalsContact O-CB 3.25Å; P246-S249 WeakPolarHBondContact O-CB 3.24Å; P246-S249 PolarHBondContact O-N 2.62Å; P246-S249 PolarHBondContact O-OG 2.68Å; P247-S249 PolarHBondContact O-N 3.4Å; S249-A251 PolarHBondContact O-N 3.24Å; S249-S252 PolarHBondContact N-OG 2.77Å; S249-S252 PolarHBondContact O-N 3.48Å; S249-S252 PolarHBondContact O-OG 3.1Å
250	R	95.5	Very high	95.4	Very high	35 Å²	35	68.3 Å²	68.3	13%	0.132	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-54	-40.7	178.2	-176.2	176	-72.3	-168.6	-3.9	112.1	V44 S252 L253 Y256 L259	V44-R250 HydrophobicContact CG1-CG 4.27Å; V44-R250 VanDerWaalsContact CG2-CZ 3.41Å; R250-S252 PolarHBondContact O-N 3.1Å; R250-L253 WeakPolarHBondContact O-CB 3.29Å; R250-L253 WeakPolarHBondContact O-CG 3.27Å; R250-L253 PolarHBondContact O-N 3.47Å; R250-L253 VanDerWaalsContact O-N 3.15Å; R250-Y256 HydrophobicContact CG-CD1 3.79Å; R250-Y256 HydrophobicContact CG-CE1 4.03Å; R250-Y256 HydrophobicContact CG-CG 4.31Å; R250-Y256 VanDerWaalsContact O-CB 3.31Å; R250-Y256 WeakPolarHBondContact O-CB 3.37Å; R250-L259 HydrophobicContact CB-CD2 4.05Å; R250-L259 HydrophobicContact CG-CD2 3.68Å
251	A	96.2	Very high	95.5	Very high	2 Å²	2	68.7 Å²	68.7	2%	0.017	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-69.6	-12.3	178.8	0	0	0	0	0	114.7	Y241 I245 S249 L259 K260 I263	Y241-A251 HydrophobicContact CE1-CB 3.77Å; I245-A251 HydrophobicContact CD1-CB 4.16Å; I245-A251 HydrophobicContact CG2-CB 4.05Å; S249-A251 PolarHBondContact O-N 3.24Å; A251-L259 HydrophobicContact CB-CD2 4.14Å; A251-L259 HydrophobicContact CB-CG 4.12Å; A251-K260 HydrophobicContact CB-CB 4.46Å; A251-I263 HydrophobicContact CB-CD1 3.53Å
252	S	96.1	Very high	95.4	Very high	55 Å²	55	72.6 Å²	72.6	39%	0.385	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-90.8	-8.2	171.5	67.5	0	0	0	0	113.7	Y248 S249 R250	Y248-S252 PolarHBondContact N-OG 2.71Å; Y248-S252 VanDerWaalsContact N-OG 3.16Å; S249-S252 PolarHBondContact N-OG 2.77Å; S249-S252 PolarHBondContact O-N 3.48Å; S249-S252 PolarHBondContact O-OG 3.1Å; R250-S252 PolarHBondContact O-N 3.1Å
253	L	94.9	Very high	95.6	Very high	46 Å²	46	70.2 Å²	70.2	24%	0.241	37%	0.368	C	S	.	.	S	Bend	trans	-75	146.2	-176.6	-60	177.8	0	0	0	112	V44 Q49 R250 G255 Y256	V44-L253 HydrophobicContact CG1-CD1 3.77Å; Q49-L253 HydrophobicContact CB-CD1 4.17Å; Q49-L253 HydrophobicContact CG-CD1 3.89Å; Q49-L253 HydrophobicContact CG-CD2 4.36Å; R250-L253 WeakPolarHBondContact O-CB 3.29Å; R250-L253 WeakPolarHBondContact O-CG 3.27Å; R250-L253 PolarHBondContact O-N 3.47Å; R250-L253 VanDerWaalsContact O-N 3.15Å; L253-G255 PolarHBondContact O-N 3.18Å; L253-Y256 HydrophobicContact CB-CD2 3.63Å; L253-Y256 HydrophobicContact CB-CE2 4.29Å; L253-Y256 HydrophobicContact CB-CG 4.33Å; L253-Y256 HydrophobicContact CD1-CD2 4.38Å; L253-Y256 HydrophobicContact CD1-CE2 4.38Å; L253-Y256 PolarHBondContact O-N 3.32Å; L253-Y256 VanDerWaalsContact O-N 3.11Å
254	K	94	Very high	95.8	Very high	213 Å²	213	68.5 Å²	68.5	93%	0.926	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	133.4	171.3	-173.7	178.3	179.1	179.9	0	109.9
255	G	93.4	Very high	95.9	Very high	62 Å²	62	69.6 Å²	69.6	64%	0.639	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-3.1	-176.6	0	0	0	0	0	115	L253	L253-G255 PolarHBondContact O-N 3.18Å
256	Y	95.5	Very high	95.9	Very high	37 Å²	37	74 Å²	74	15%	0.145	37%	0.373	C	S	.	.			trans	-108.9	24.3	178.1	-68.8	-95	0	0	0	113.4	W43 V44 R250 L253 W258 L259 K260	W43-Y256 HydrophobicContact CZ2-CE1 4.19Å; V44-Y256 HydrophobicContact CG1-CE1 4.25Å; V44-Y256 HydrophobicContact CG1-CE2 4.11Å; V44-Y256 WeakPolarHBondContact CG1-OH 3.49Å; V44-Y256 HydrophobicContact CG2-CE1 3.71Å; V44-Y256 WeakPolarHBondContact CG2-OH 3.25Å; R250-Y256 HydrophobicContact CG-CD1 3.79Å; R250-Y256 HydrophobicContact CG-CE1 4.03Å; R250-Y256 HydrophobicContact CG-CG 4.31Å; R250-Y256 VanDerWaalsContact O-CB 3.31Å; R250-Y256 WeakPolarHBondContact O-CB 3.37Å; L253-Y256 HydrophobicContact CB-CD2 3.63Å; L253-Y256 HydrophobicContact CB-CE2 4.29Å; L253-Y256 HydrophobicContact CB-CG 4.33Å; L253-Y256 HydrophobicContact CD1-CD2 4.38Å; L253-Y256 HydrophobicContact CD1-CE2 4.38Å; L253-Y256 PolarHBondContact O-N 3.32Å; L253-Y256 VanDerWaalsContact O-N 3.11Å; Y256-W258 HydrophobicContact CD1-CZ2 4.07Å; Y256-W258 AromaticContact CD1-NE1 3.97Å; Y256-W258 HydrophobicContact CE1-CZ2 4.35Å; Y256-W258 PolarHBondContact O-N 3.21Å; Y256-L259 WeakPolarHBondContact O-CB 3.3Å; Y256-L259 PolarHBondContact O-N 3.29Å; Y256-K260 PolarHBondContact O-N 3.14Å
257	Q	96.1	Very high	95.9	Very high	102 Å²	102	75.7 Å²	75.7	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-37.8	177.2	-173	58.8	47.1	0	0	111.6	L259 K260 D261	Q257-L259 PolarHBondContact O-N 2.91Å; Q257-K260 WeakPolarHBondContact O-CB 3.45Å; Q257-K260 PolarHBondContact O-N 3.29Å; Q257-K260 VanDerWaalsContact O-N 3.08Å; Q257-D261 PolarHBondContact NE2-OD1 3.24Å; Q257-D261 PolarHBondContact O-N 3.33Å
258	W	97.2	Very high	96	Very high	124 Å²	124	71 Å²	71	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-35.3	174.3	68.3	-93	0	0	0	113.1	W43 Y256 K262	W43-W258 HydrophobicContact CH2-CH2 4.16Å; W43-W258 AromaticContact CH2-CZ2 4Å; W43-W258 HydrophobicContact CH2-CZ2 4Å; W43-W258 HydrophobicContact CZ2-CZ2 4.27Å; Y256-W258 HydrophobicContact CD1-CZ2 4.07Å; Y256-W258 AromaticContact CD1-NE1 3.97Å; Y256-W258 HydrophobicContact CE1-CZ2 4.35Å; Y256-W258 PolarHBondContact O-N 3.21Å; W258-K262 WeakPolarHBondContact O-CB 3.4Å; W258-K262 PolarHBondContact O-N 2.84Å
259	L	96.5	Very high	96.1	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-75.5	-40.4	177.9	178.2	62.2	0	0	0	110.5	C234 I236 R250 A251 Y256 Q257 D261 K262 I263	C234-L259 HydrophobicContact CB-CD1 3.76Å; C234-L259 HydrophobicContact CB-CD2 3.73Å; C234-L259 HydrophobicContact CB-CG 4.43Å; I236-L259 HydrophobicContact CD1-CD1 4.04Å; R250-L259 HydrophobicContact CB-CD2 4.05Å; R250-L259 HydrophobicContact CG-CD2 3.68Å; A251-L259 HydrophobicContact CB-CD2 4.14Å; A251-L259 HydrophobicContact CB-CG 4.12Å; Y256-L259 WeakPolarHBondContact O-CB 3.3Å; Y256-L259 PolarHBondContact O-N 3.29Å; Q257-L259 PolarHBondContact O-N 2.91Å; L259-D261 VanDerWaalsContact C-N 3.34Å; L259-K262 PolarHBondContact O-N 2.91Å; L259-I263 HydrophobicContact CD1-CD1 4.14Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 3.91Å; L259-I263 WeakPolarHBondContact O-CD1 3.32Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.24Å
260	K	96.4	Very high	96.1	Very high	72 Å²	72	71.7 Å²	71.7	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-46	173.3	179.1	170.4	176.5	-173.5	0	111.2	I245 A251 Y256 Q257 I263 L264	I245-K260 HydrophobicContact CD1-CG 4.22Å; I245-K260 HydrophobicContact CG1-CD 4.29Å; I245-K260 HydrophobicContact CG1-CG 4.04Å; A251-K260 HydrophobicContact CB-CB 4.46Å; Y256-K260 PolarHBondContact O-N 3.14Å; Q257-K260 WeakPolarHBondContact O-CB 3.45Å; Q257-K260 PolarHBondContact O-N 3.29Å; Q257-K260 VanDerWaalsContact O-N 3.08Å; K260-I263 PolarHBondContact O-N 2.74Å; K260-L264 HydrophobicContact CG-CD1 3.89Å; K260-L264 HydrophobicContact CG-CG 4.48Å; K260-L264 WeakPolarHBondContact O-CB 3.47Å; K260-L264 WeakPolarHBondContact O-CG 3.42Å; K260-L264 PolarHBondContact O-N 3.39Å
261	D	97.3	Very high	96.2	Very high	89 Å²	89	70.8 Å²	70.8	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-42.3	177.9	-61	-22.5	0	0	0	111	Q257 L259 I263 L264 S265	Q257-D261 PolarHBondContact NE2-OD1 3.24Å; Q257-D261 PolarHBondContact O-N 3.33Å; L259-D261 VanDerWaalsContact C-N 3.34Å; D261-I263 PolarHBondContact O-N 3.09Å; D261-L264 PolarHBondContact O-N 3.36Å; D261-S265 WeakPolarHBondContact O-CB 3.28Å; D261-S265 PolarHBondContact O-N 3.46Å
262	K	96.8	Very high	96.2	Very high	84 Å²	84	70.9 Å²	70.9	37%	0.365	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-44.4	173.8	-174.1	175.9	-178.3	176.8	0	112	W258 L259 S265 G268	W258-K262 WeakPolarHBondContact O-CB 3.4Å; W258-K262 PolarHBondContact O-N 2.84Å; L259-K262 PolarHBondContact O-N 2.91Å; K262-S265 PolarHBondContact O-N 3.17Å; K262-S265 PolarHBondContact O-OG 3.26Å; K262-G268 WeakPolarHBondContact O-CA 3.28Å
263	I	96.6	Very high	96.2	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-65.9	-41.9	179.6	-71	163.1	0	0	0	111.9	I236 Y241 I245 A251 L259 K260 D261 S265	I236-I263 HydrophobicContact CD1-CD1 4.41Å; I236-I263 HydrophobicContact CD1-CG1 3.71Å; I236-I263 HydrophobicContact CG1-CD1 4.08Å; I236-I263 HydrophobicContact CG1-CG1 3.75Å; Y241-I263 HydrophobicContact CD1-CD1 3.93Å; Y241-I263 HydrophobicContact CD1-CG2 4.3Å; Y241-I263 HydrophobicContact CD2-CD1 3.92Å; Y241-I263 HydrophobicContact CE1-CD1 3.84Å; Y241-I263 HydrophobicContact CE2-CD1 3.8Å; Y241-I263 HydrophobicContact CG-CD1 3.96Å; Y241-I263 HydrophobicContact CG-CG2 4.04Å; I245-I263 HydrophobicContact CD1-CB 4.25Å; I245-I263 HydrophobicContact CD1-CD1 4.29Å; I245-I263 HydrophobicContact CD1-CG2 3.76Å; A251-I263 HydrophobicContact CB-CD1 3.53Å; L259-I263 HydrophobicContact CD1-CD1 4.14Å; L259-I263 HydrophobicContact CD1-CG1 4.41Å; L259-I263 HydrophobicContact CG-CD1 3.91Å; L259-I263 WeakPolarHBondContact O-CD1 3.32Å; L259-I263 VanDerWaalsContact O-CG1 3.24Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.24Å; K260-I263 PolarHBondContact O-N 2.74Å; D261-I263 PolarHBondContact O-N 3.09Å; I263-S265 VanDerWaalsContact C-N 3.35Å
264	L	96.6	Very high	96.3	Very high	88 Å²	88	73.8 Å²	73.8	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-83.4	-11	-177.5	-63.4	178.1	0	0	0	113.4	I245 K260 D261	I245-L264 HydrophobicContact CD1-CD2 4.42Å; I245-L264 HydrophobicContact CD1-CG 4.46Å; K260-L264 HydrophobicContact CG-CD1 3.89Å; K260-L264 HydrophobicContact CG-CG 4.48Å; K260-L264 WeakPolarHBondContact O-CB 3.47Å; K260-L264 WeakPolarHBondContact O-CG 3.42Å; K260-L264 PolarHBondContact O-N 3.39Å; D261-L264 PolarHBondContact O-N 3.36Å
265	S	97.6	Very high	96.5	Very high	44 Å²	44	63.9 Å²	63.9	31%	0.308	31%	0.314	S	S	.	.	S	Bend	trans	-62	160.8	173.9	75.2	0	0	0	0	112.3	D261 K262 I263 E267 G268 R269	D261-S265 WeakPolarHBondContact O-CB 3.28Å; D261-S265 PolarHBondContact O-N 3.46Å; K262-S265 PolarHBondContact O-N 3.17Å; K262-S265 PolarHBondContact O-OG 3.26Å; I263-S265 VanDerWaalsContact C-N 3.35Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.49Å; S265-G268 PolarHBondContact O-N 3.17Å; S265-G268 VanDerWaalsContact O-N 3.08Å; S265-G268 PolarHBondContact OG-N 3.38Å; S265-G268 VanDerWaalsContact OG-N 3.1Å; S265-R269 WeakPolarHBondContact O-CG 3.44Å; S265-R269 PolarHBondContact O-N 3.17Å
266	E	97.2	Very high	96.6	Very high	138 Å²	138	66.6 Å²	66.6	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-54.6	-45.7	174.9	-167.1	-162.9	137.8	0	0	111.6	G268 R269 R270	E266-G268 VanDerWaalsContact C-N 3.34Å; E266-G268 PolarHBondContact O-N 2.86Å; E266-R269 PolarHBondContact O-N 3.35Å; E266-R270 WeakPolarHBondContact O-CG 3.16Å; E266-R270 PolarHBondContact O-N 2.64Å; E266-R270 IonicContact OE1-CZ 3.9Å; E266-R270 IonicContact OE1-NH1 2.84Å; E266-R270 PolarHBondContact OE1-NH1 3.04Å
267	E	96.6	Very high	96.7	Very high	76 Å²	76	71.5 Å²	71.5	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-45.1	176.1	-126.9	-47.4	106.8	0	0	111.6	S265 R269 R270 Q271	S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.49Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 2.87Å; E267-R270 WeakPolarHBondContact O-CB 3.45Å; E267-R270 PolarHBondContact O-N 3.35Å; E267-R270 VanDerWaalsContact O-N 3.15Å; E267-R270 IonicContact OE1-CZ 2.91Å; E267-R270 IonicContact OE1-NE 2.85Å; E267-R270 PolarHBondContact OE1-NE 3.36Å; E267-R270 IonicContact OE1-NH2 2.96Å; E267-R270 PolarHBondContact OE1-NH2 2.9Å; E267-Q271 WeakPolarHBondContact O-CG 3.44Å; E267-Q271 PolarHBondContact O-N 2.73Å; E267-Q271 PolarHBondContact OE2-NE2 3.03Å
268	G	96.3	Very high	96.8	Very high	2 Å²	2	68.4 Å²	68.4	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-41.6	178	0	0	0	0	0	112.3	K262 S265 E266 Q271 Q272	K262-G268 WeakPolarHBondContact O-CA 3.28Å; S265-G268 PolarHBondContact O-N 3.17Å; S265-G268 VanDerWaalsContact O-N 3.08Å; S265-G268 PolarHBondContact OG-N 3.38Å; S265-G268 VanDerWaalsContact OG-N 3.1Å; E266-G268 VanDerWaalsContact C-N 3.34Å; E266-G268 PolarHBondContact O-N 2.86Å; G268-Q271 WeakPolarHBondContact O-CB 3.27Å; G268-Q271 PolarHBondContact O-N 3.25Å; G268-Q272 WeakPolarHBondContact O-CG 3.41Å; G268-Q272 PolarHBondContact O-N 2.82Å
269	R	95.1	Very high	96.8	Very high	113 Å²	113	65.7 Å²	65.7	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-37.8	175.3	-60.2	-60.2	-67.3	174.1	0.6	112.2	D242 S265 E266 E267 Q271 Q272 A273	D242-R269 PolarHBondContact O-NH1 3.41Å; S265-R269 WeakPolarHBondContact O-CG 3.44Å; S265-R269 PolarHBondContact O-N 3.17Å; E266-R269 PolarHBondContact O-N 3.35Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 2.87Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-Q271 PolarHBondContact O-N 3.21Å; R269-Q272 PolarHBondContact O-N 3.13Å; R269-A273 PolarHBondContact O-N 2.98Å
270	R	97.1	Very high	96.8	Very high	119 Å²	119	67.9 Å²	67.9	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-39.4	172.4	-67.4	-172.3	-51.8	-143.5	17.2	111.9	E266 E267 A273 K274	E266-R270 WeakPolarHBondContact O-CG 3.16Å; E266-R270 PolarHBondContact O-N 2.64Å; E266-R270 IonicContact OE1-CZ 3.9Å; E266-R270 IonicContact OE1-NH1 2.84Å; E266-R270 PolarHBondContact OE1-NH1 3.04Å; E267-R270 WeakPolarHBondContact O-CB 3.45Å; E267-R270 PolarHBondContact O-N 3.35Å; E267-R270 VanDerWaalsContact O-N 3.15Å; E267-R270 IonicContact OE1-CZ 2.91Å; E267-R270 IonicContact OE1-NE 2.85Å; E267-R270 PolarHBondContact OE1-NE 3.36Å; E267-R270 IonicContact OE1-NH2 2.96Å; E267-R270 PolarHBondContact OE1-NH2 2.9Å; R270-A273 PolarHBondContact O-N 3.48Å; R270-K274 PolarHBondContact O-N 3.26Å
271	Q	97.3	Very high	96.8	Very high	16 Å²	16	67.5 Å²	67.5	8%	0.075	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-44.6	173.8	-68.8	172.9	13.5	0	0	111.2	F206 E267 G268 R269 A273 K274 L275	F206-Q271 HydrophobicContact CD1-CB 4.46Å; F206-Q271 HydrophobicContact CD1-CG 3.86Å; F206-Q271 HydrophobicContact CD2-CB 4.29Å; F206-Q271 HydrophobicContact CD2-CG 4.09Å; F206-Q271 HydrophobicContact CE1-CB 4.1Å; F206-Q271 HydrophobicContact CE1-CG 3.97Å; F206-Q271 HydrophobicContact CE2-CB 3.91Å; F206-Q271 HydrophobicContact CE2-CG 4.19Å; F206-Q271 HydrophobicContact CG-CG 3.93Å; F206-Q271 HydrophobicContact CZ-CB 3.81Å; F206-Q271 HydrophobicContact CZ-CG 4.13Å; E267-Q271 WeakPolarHBondContact O-CG 3.44Å; E267-Q271 PolarHBondContact O-N 2.73Å; E267-Q271 PolarHBondContact OE2-NE2 3.03Å; G268-Q271 WeakPolarHBondContact O-CB 3.27Å; G268-Q271 PolarHBondContact O-N 3.25Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-Q271 PolarHBondContact O-N 3.21Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.37Å; Q271-K274 PolarHBondContact O-N 3.33Å; Q271-L275 WeakPolarHBondContact O-CG 3.47Å; Q271-L275 PolarHBondContact O-N 3.22Å
272	Q	95.4	Very high	96.8	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.023	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-38.9	176.3	-68.5	-57.7	-40.8	0	0	112.8	I236 G268 R269 K274 L275 K276	I236-Q272 PolarHBondContact O-NE2 3.26Å; G268-Q272 WeakPolarHBondContact O-CG 3.41Å; G268-Q272 PolarHBondContact O-N 2.82Å; R269-Q272 PolarHBondContact O-N 3.13Å; Q272-K274 PolarHBondContact O-N 3.11Å; Q272-L275 WeakPolarHBondContact O-CB 3.21Å; Q272-L275 PolarHBondContact O-N 3.41Å; Q272-K276 PolarHBondContact O-N 2.63Å
273	A	96.4	Very high	96.8	Very high	53 Å²	53	65.4 Å²	65.4	44%	0.438	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-46.5	174.9	0	0	0	0	0	111.8	R269 R270 Q271 L275 K276	R269-A273 PolarHBondContact O-N 2.98Å; R270-A273 PolarHBondContact O-N 3.48Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.37Å; A273-L275 VanDerWaalsContact C-N 3.29Å; A273-L275 PolarHBondContact O-N 3.18Å; A273-K276 WeakPolarHBondContact O-CB 3.35Å; A273-K276 PolarHBondContact O-N 3.18Å; A273-K276 VanDerWaalsContact O-N 3.14Å
274	K	97.8	Very high	96.8	Very high	109 Å²	109	75 Å²	75	47%	0.474	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-34.3	175.9	-66.8	174.9	179.7	176.8	0	112.7	F206 R270 Q271 Q272 K276 E277 L278	F206-K274 HydrophobicContact CE1-CB 4.36Å; F206-K274 HydrophobicContact CE1-CD 4.15Å; R270-K274 PolarHBondContact O-N 3.26Å; Q271-K274 PolarHBondContact O-N 3.33Å; Q272-K274 PolarHBondContact O-N 3.11Å; K274-K276 PolarHBondContact O-N 3.2Å; K274-E277 WeakPolarHBondContact O-CB 3.14Å; K274-E277 PolarHBondContact O-N 2.86Å; K274-L278 WeakPolarHBondContact O-CG 3.31Å; K274-L278 PolarHBondContact O-N 3.38Å
275	L	97.9	Very high	96.8	Very high	4 Å²	4	75.2 Å²	75.2	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-29.9	177	-68.1	173.6	0	0	0	112.3	F206 I236 V237 Q271 Q272 A273 E277 L278 Q279 L289	F206-L275 HydrophobicContact CE2-CD1 4.44Å; F206-L275 HydrophobicContact CE2-CD2 3.92Å; F206-L275 HydrophobicContact CE2-CG 4.21Å; F206-L275 HydrophobicContact CZ-CD2 3.84Å; F206-L275 HydrophobicContact CZ-CG 4Å; I236-L275 HydrophobicContact CG2-CD1 4.38Å; I236-L275 WeakPolarHBondContact O-CD1 2.87Å; V237-L275 HydrophobicContact CB-CD2 4.27Å; V237-L275 HydrophobicContact CG1-CD2 3.88Å; Q271-L275 WeakPolarHBondContact O-CG 3.47Å; Q271-L275 PolarHBondContact O-N 3.22Å; Q272-L275 WeakPolarHBondContact O-CB 3.21Å; Q272-L275 PolarHBondContact O-N 3.41Å; A273-L275 VanDerWaalsContact C-N 3.29Å; A273-L275 PolarHBondContact O-N 3.18Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-L278 HydrophobicContact CD2-CD1 4.11Å; L275-L278 PolarHBondContact O-N 2.94Å; L275-Q279 WeakPolarHBondContact O-CB 3.41Å; L275-Q279 PolarHBondContact O-N 3.23Å; L275-L289 HydrophobicContact CB-CD2 4.1Å; L275-L289 HydrophobicContact CD2-CD2 4.04Å
276	K	95.1	Very high	96.8	Very high	120 Å²	120	76.4 Å²	76.4	52%	0.522	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-39	173.3	-66.1	-174.8	176.4	-176.8	0	112.2	D242 Q272 A273 K274 Q279	D242-K276 VanDerWaalsContact CG-NZ 3.28Å; D242-K276 WeakPolarHBondContact OD1-CE 3.32Å; D242-K276 IonicContact OD1-NZ 3.8Å; D242-K276 PolarHBondContact OD1-NZ 2.95Å; D242-K276 WeakPolarHBondContact OD2-CE 3.41Å; D242-K276 IonicContact OD2-NZ 2.62Å; D242-K276 PolarHBondContact OD2-NZ 3.2Å; Q272-K276 PolarHBondContact O-N 2.63Å; A273-K276 WeakPolarHBondContact O-CB 3.35Å; A273-K276 PolarHBondContact O-N 3.18Å; A273-K276 VanDerWaalsContact O-N 3.14Å; K274-K276 PolarHBondContact O-N 3.2Å; K276-Q279 WeakPolarHBondContact O-CB 3.46Å; K276-Q279 PolarHBondContact O-N 3.17Å
277	E	97.3	Very high	96.8	Very high	139 Å²	139	70.4 Å²	70.4	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-68	-40.4	175.5	-60.7	174.5	-115.3	0	0	111.1	K274 L275 Q279 A280	K274-E277 WeakPolarHBondContact O-CB 3.14Å; K274-E277 PolarHBondContact O-N 2.86Å; L275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 VanDerWaalsContact C-N 3.33Å; E277-Q279 PolarHBondContact O-N 2.79Å; E277-A280 PolarHBondContact O-N 3.2Å
278	L	97.7	Very high	96.8	Very high	38 Å²	38	69 Å²	69	20%	0.199	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-31.6	176.6	-67.4	169.7	0	0	0	112.9	M205 K274 L275 A280 I281 A282 L289	M205-L278 HydrophobicContact SD-CD1 3.6Å; M205-L278 VanDerWaalsContact SD-CD1 3.6Å; K274-L278 WeakPolarHBondContact O-CG 3.31Å; K274-L278 PolarHBondContact O-N 3.38Å; L275-L278 HydrophobicContact CD2-CD1 4.11Å; L275-L278 PolarHBondContact O-N 2.94Å; L278-A280 VanDerWaalsContact C-N 3.28Å; L278-A280 PolarHBondContact O-N 2.79Å; L278-I281 HydrophobicContact CD2-CD1 4.16Å; L278-I281 WeakPolarHBondContact O-CB 3.37Å; L278-I281 PolarHBondContact O-N 2.9Å; L278-A282 PolarHBondContact O-N 2.84Å; L278-L289 HydrophobicContact CB-CD1 3.68Å
279	Q	97.5	Very high	96.9	Very high	66 Å²	66	69.1 Å²	69.1	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-58.6	-41	174.8	179	59.2	42.1	0	0	111.3	L275 K276 E277 I281 A282 E283	L275-Q279 WeakPolarHBondContact O-CB 3.41Å; L275-Q279 PolarHBondContact O-N 3.23Å; K276-Q279 WeakPolarHBondContact O-CB 3.46Å; K276-Q279 PolarHBondContact O-N 3.17Å; E277-Q279 VanDerWaalsContact C-N 3.33Å; E277-Q279 PolarHBondContact O-N 2.79Å; Q279-I281 PolarHBondContact O-N 3.29Å; Q279-A282 PolarHBondContact O-N 3.11Å; Q279-A282 VanDerWaalsContact O-N 3.15Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.4Å; Q279-E283 PolarHBondContact NE2-OE1 2.89Å; Q279-E283 WeakPolarHBondContact O-CG 3.47Å; Q279-E283 PolarHBondContact O-N 2.74Å
280	A	97	Very high	97.1	Very high	48 Å²	48	64.2 Å²	64.2	40%	0.397	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-29.5	175.5	0	0	0	0	0	112.8	E277 L278 R284	E277-A280 PolarHBondContact O-N 3.2Å; L278-A280 VanDerWaalsContact C-N 3.28Å; L278-A280 PolarHBondContact O-N 2.79Å; A280-R284 WeakPolarHBondContact O-CD 3.36Å; A280-R284 VanDerWaalsContact O-CG 3.26Å; A280-R284 WeakPolarHBondContact O-CG 3.04Å; A280-R284 PolarHBondContact O-N 3.48Å
281	I	97.4	Very high	97.1	Very high	64 Å²	64	60 Å²	60	33%	0.328	31%	0.314	S	S	.	.	H	α-helix	trans	-72.4	-45.4	173.5	-57.1	178.8	0	0	0	110.2	L278 Q279 E283 R284 L285 L292	L278-I281 HydrophobicContact CD2-CD1 4.16Å; L278-I281 WeakPolarHBondContact O-CB 3.37Å; L278-I281 PolarHBondContact O-N 2.9Å; Q279-I281 PolarHBondContact O-N 3.29Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-E283 PolarHBondContact O-N 3.29Å; I281-R284 PolarHBondContact O-N 3.22Å; I281-L285 HydrophobicContact CG2-CD1 3.97Å; I281-L285 HydrophobicContact CG2-CG 4.5Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 2.98Å; I281-L285 VanDerWaalsContact O-N 3.07Å; I281-L292 HydrophobicContact CB-CD2 4.18Å; I281-L292 HydrophobicContact CG2-CD2 4.09Å
282	A	97.1	Very high	97.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-43.8	178	0	0	0	0	0	111.5	L278 Q279 R284 L285 G286 C287 L289 L292	L278-A282 PolarHBondContact O-N 2.84Å; Q279-A282 PolarHBondContact O-N 3.11Å; Q279-A282 VanDerWaalsContact O-N 3.15Å; A282-R284 PolarHBondContact O-N 3.45Å; A282-L285 CarbonylContact O-C 3.54Å; A282-L285 PolarHBondContact O-N 3.12Å; A282-L285 VanDerWaalsContact O-N 3.16Å; A282-G286 PolarHBondContact O-N 2.91Å; A282-C287 CarbonylContact C-O 3.34Å; A282-C287 WeakPolarHBondContact CB-O 3.04Å; A282-C287 PolarHBondContact O-N 2.8Å; A282-C287 VanDerWaalsContact O-O 3.12Å; A282-L289 HydrophobicContact CB-CB 4.48Å; A282-L292 HydrophobicContact CB-CB 4.28Å; A282-L292 HydrophobicContact CB-CD2 3.98Å
283	E	96.5	Very high	97.3	Very high	129 Å²	129	60.1 Å²	60.1	60%	0.603	32%	0.316	S	S	*	.	H	α-helix	trans	-60.6	-43.3	175.7	-74.7	167.6	-166.5	0	0	112.8	Q279 I281 L285 G286	Q279-E283 WeakPolarHBondContact CG-OE1 3.4Å; Q279-E283 PolarHBondContact NE2-OE1 2.89Å; Q279-E283 WeakPolarHBondContact O-CG 3.47Å; Q279-E283 PolarHBondContact O-N 2.74Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-E283 PolarHBondContact O-N 3.29Å; E283-L285 PolarHBondContact O-N 3.49Å; E283-G286 PolarHBondContact O-N 3.05Å; E283-G286 VanDerWaalsContact O-N 3.11Å
284	R	96.8	Very high	97.4	Very high	203 Å²	203	57.6 Å²	57.6	77%	0.766	30%	0.295	S	S	*	.	H	α-helix	trans	-63.6	-30.8	176.3	-75.8	168.5	57	-138.3	-6	113	A280 I281 A282 G286	A280-R284 WeakPolarHBondContact O-CD 3.36Å; A280-R284 VanDerWaalsContact O-CG 3.26Å; A280-R284 WeakPolarHBondContact O-CG 3.04Å; A280-R284 PolarHBondContact O-N 3.48Å; I281-R284 PolarHBondContact O-N 3.22Å; A282-R284 PolarHBondContact O-N 3.45Å; R284-G286 VanDerWaalsContact C-N 3.35Å
285	L	95.9	Very high	97.4	Very high	93 Å²	93	52.9 Å²	52.9	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-88	-4.3	177.3	-64.6	174.4	0	0	0	112.7	I281 A282 E283 C287 L292	I281-L285 HydrophobicContact CG2-CD1 3.97Å; I281-L285 HydrophobicContact CG2-CG 4.5Å; I281-L285 WeakPolarHBondContact O-CG 3.31Å; I281-L285 PolarHBondContact O-N 2.98Å; I281-L285 VanDerWaalsContact O-N 3.07Å; A282-L285 CarbonylContact O-C 3.54Å; A282-L285 PolarHBondContact O-N 3.12Å; A282-L285 VanDerWaalsContact O-N 3.16Å; E283-L285 PolarHBondContact O-N 3.49Å; L285-C287 VanDerWaalsContact C-N 3.31Å; L285-C287 PolarHBondContact O-N 3.11Å; L285-L292 HydrophobicContact CD1-CD1 3.93Å
286	G	96.5	Very high	97.4	Very high	69 Å²	69	54.8 Å²	54.8	71%	0.711	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	28.7	-178.9	0	0	0	0	0	113.6	A282 E283 R284	A282-G286 PolarHBondContact O-N 2.91Å; E283-G286 PolarHBondContact O-N 3.05Å; E283-G286 VanDerWaalsContact O-N 3.11Å; R284-G286 VanDerWaalsContact C-N 3.35Å
287	C	97.1	Very high	97.5	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.081	26%	0.258	C	S	.	.	S	Bend	trans	-125.8	169	179.3	76.2	0	0	0	0	111.8	A282 L285 Q291 Q325	A282-C287 CarbonylContact C-O 3.34Å; A282-C287 WeakPolarHBondContact CB-O 3.04Å; A282-C287 PolarHBondContact O-N 2.8Å; A282-C287 VanDerWaalsContact O-O 3.12Å; L285-C287 VanDerWaalsContact C-N 3.31Å; L285-C287 PolarHBondContact O-N 3.11Å; C287-Q291 HydrophobicContact CB-CB 4.11Å; C287-Q325 HydrophobicContact CB-CG 3.85Å
288	T	98.1	Very high	97.5	Very high	48 Å²	48	42.5 Å²	42.5	29%	0.294	23%	0.228	S	C	.	.			trans	-81	159.9	171.7	74.6	0	0	0	0	111.2	P290 Q291 L292 E318	T288-P290 WeakPolarHBondContact OG1-CD 3.37Å; T288-Q291 WeakPolarHBondContact O-CB 3.25Å; T288-Q291 PolarHBondContact O-N 2.86Å; T288-Q291 VanDerWaalsContact OG1-CG 3.32Å; T288-Q291 WeakPolarHBondContact OG1-CG 3.37Å; T288-Q291 PolarHBondContact OG1-N 3.47Å; T288-L292 PolarHBondContact O-N 3.15Å; T288-E318 WeakPolarHBondContact CB-OE1 3.47Å; T288-E318 HydrophobicContact CG2-CG 4.03Å; T288-E318 WeakPolarHBondContact CG2-OE1 3.46Å; T288-E318 PolarHBondContact OG1-OE1 2.73Å
289	L	97.9	Very high	97.3	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-39	175.3	-177.1	60.4	0	0	0	113	V237 L275 L278 A282 Q291 L292 A293	V237-L289 WeakPolarHBondContact O-CD2 3.45Å; V237-L289 VanDerWaalsContact O-CG 3.27Å; V237-L289 WeakPolarHBondContact O-CG 3.49Å; L275-L289 HydrophobicContact CB-CD2 4.1Å; L275-L289 HydrophobicContact CD2-CD2 4.04Å; L278-L289 HydrophobicContact CB-CD1 3.68Å; A282-L289 HydrophobicContact CB-CB 4.48Å; L289-Q291 PolarHBondContact O-N 3.18Å; L289-L292 HydrophobicContact CD1-CD2 4.31Å; L289-L292 PolarHBondContact O-N 3.36Å; L289-A293 WeakPolarHBondContact O-CB 3.49Å; L289-A293 PolarHBondContact O-N 2.99Å
290	P	98.3	Very high	96.9	Very high	10 Å²	10	45 Å²	45	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-44.5	168	-30.8	38.5	0	0	0	114.2	L232 T288 A293 I294 E318	L232-P290 HydrophobicContact CD1-CB 3.96Å; L232-P290 HydrophobicContact CD2-CB 4.05Å; T288-P290 WeakPolarHBondContact OG1-CD 3.37Å; P290-A293 PolarHBondContact O-N 3.49Å; P290-I294 WeakPolarHBondContact O-CG1 3.34Å; P290-I294 PolarHBondContact O-N 3.24Å; P290-E318 WeakPolarHBondContact CB-OE1 3.39Å; P290-E318 WeakPolarHBondContact CD-OE1 3.44Å; P290-E318 VanDerWaalsContact CG-OE1 3.22Å; P290-E318 WeakPolarHBondContact CG-OE1 3.45Å
291	Q	98.3	Very high	96.3	Very high	30 Å²	30	51 Å²	51	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-48.1	177.3	-74.4	172	-18.8	0	0	111.5	C287 T288 L289 A293 I294 A295 E318 A322	C287-Q291 HydrophobicContact CB-CB 4.11Å; T288-Q291 WeakPolarHBondContact O-CB 3.25Å; T288-Q291 PolarHBondContact O-N 2.86Å; T288-Q291 VanDerWaalsContact OG1-CG 3.32Å; T288-Q291 WeakPolarHBondContact OG1-CG 3.37Å; T288-Q291 PolarHBondContact OG1-N 3.47Å; L289-Q291 PolarHBondContact O-N 3.18Å; Q291-A293 VanDerWaalsContact C-N 3.3Å; Q291-A293 PolarHBondContact O-N 3.37Å; Q291-I294 PolarHBondContact O-N 3.14Å; Q291-A295 VanDerWaalsContact O-CB 3.3Å; Q291-A295 WeakPolarHBondContact O-CB 3.41Å; Q291-A295 PolarHBondContact O-N 3.18Å; Q291-E318 HydrophobicContact CG-CG 4.27Å; Q291-E318 WeakPolarHBondContact CG-O 3.37Å; Q291-E318 PolarHBondContact NE2-O 3.31Å; Q291-A322 HydrophobicContact CB-CB 4.39Å; Q291-A322 WeakPolarHBondContact O-CB 3.49Å
292	L	98.2	Very high	95.9	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.12	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-45.1	175.8	177.5	60.3	0	0	0	111.4	M205 I281 A282 L285 T288 L289 W296	M205-L292 HydrophobicContact CE-CG 4.32Å; I281-L292 HydrophobicContact CB-CD2 4.18Å; I281-L292 HydrophobicContact CG2-CD2 4.09Å; A282-L292 HydrophobicContact CB-CB 4.28Å; A282-L292 HydrophobicContact CB-CD2 3.98Å; L285-L292 HydrophobicContact CD1-CD1 3.93Å; T288-L292 PolarHBondContact O-N 3.15Å; L289-L292 HydrophobicContact CD1-CD2 4.31Å; L289-L292 PolarHBondContact O-N 3.36Å; L292-W296 WeakPolarHBondContact O-CB 3.44Å; L292-W296 PolarHBondContact O-N 3.22Å
293	A	98.4	Very high	95.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-41.5	-178.4	0	0	0	0	0	113.3	M205 L232 V237 L289 P290 Q291 W296 C297	M205-A293 HydrophobicContact CE-CB 4.4Å; M205-A293 HydrophobicContact SD-CB 4.46Å; L232-A293 HydrophobicContact CD2-CB 3.77Å; V237-A293 HydrophobicContact CG1-CB 3.4Å; L289-A293 WeakPolarHBondContact O-CB 3.49Å; L289-A293 PolarHBondContact O-N 2.99Å; P290-A293 PolarHBondContact O-N 3.49Å; Q291-A293 VanDerWaalsContact C-N 3.3Å; Q291-A293 PolarHBondContact O-N 3.37Å; A293-W296 WeakPolarHBondContact O-CB 3.37Å; A293-W296 PolarHBondContact O-N 3.37Å; A293-C297 PolarHBondContact O-N 3.42Å; A293-C297 PolarHBondContact O-SG 3.21Å
294	I	98.4	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.4	-45.4	178.3	-67.9	161.4	0	0	0	110.5	L38 P231 L232 P290 Q291 W296 C297 L298 L308 N319 A322	L38-I294 HydrophobicContact CD2-CG2 3.69Å; P231-I294 HydrophobicContact CB-CG1 4.09Å; P231-I294 HydrophobicContact CG-CG1 4.27Å; L232-I294 HydrophobicContact CD1-CD1 4.46Å; L232-I294 HydrophobicContact CD2-CD1 4.29Å; L232-I294 HydrophobicContact CD2-CG1 4.05Å; L232-I294 HydrophobicContact CG-CD1 4.45Å; L232-I294 HydrophobicContact CG-CG1 4.46Å; P290-I294 WeakPolarHBondContact O-CG1 3.34Å; P290-I294 PolarHBondContact O-N 3.24Å; Q291-I294 PolarHBondContact O-N 3.14Å; I294-W296 VanDerWaalsContact C-N 3.27Å; I294-W296 PolarHBondContact O-N 2.75Å; I294-C297 WeakPolarHBondContact O-CB 2.9Å; I294-C297 PolarHBondContact O-N 3.26Å; I294-L298 PolarHBondContact O-N 2.97Å; I294-L298 VanDerWaalsContact O-N 3.09Å; I294-L308 HydrophobicContact CD1-CD2 3.71Å; I294-L308 HydrophobicContact CG1-CD2 4.16Å; I294-L308 HydrophobicContact CG2-CD2 4.19Å; I294-N319 HydrophobicContact CD1-CB 3.57Å; I294-N319 VanDerWaalsContact CD1-CG 3.47Å; I294-N319 WeakPolarHBondContact CD1-OD1 3.24Å; I294-A322 HydrophobicContact CB-CB 3.72Å; I294-A322 HydrophobicContact CG2-CB 3.61Å
295	A	97.6	Very high	96.1	Very high	10 Å²	10	33.9 Å²	33.9	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-40.3	175	0	0	0	0	0	111.1	Q291 C297 L298 R299 A322 Q325	Q291-A295 VanDerWaalsContact O-CB 3.3Å; Q291-A295 WeakPolarHBondContact O-CB 3.41Å; Q291-A295 PolarHBondContact O-N 3.18Å; A295-C297 VanDerWaalsContact C-N 3.31Å; A295-C297 PolarHBondContact O-N 3.01Å; A295-L298 CarbonylContact O-C 3.58Å; A295-L298 PolarHBondContact O-N 3.47Å; A295-L298 VanDerWaalsContact O-N 3.07Å; A295-R299 PolarHBondContact O-N 2.65Å; A295-A322 HydrophobicContact CB-CB 4.4Å; A295-Q325 HydrophobicContact CB-CB 3.79Å
296	W	98.1	Very high	96.3	Very high	45 Å²	45	29.4 Å²	29.4	17%	0.17	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-41.1	172.9	177.5	95	0	0	0	111.7	Y203 M205 R208 E212 L292 A293 I294 L298 R299	Y203-W296 HydrophobicContact CD1-CZ3 4.49Å; Y203-W296 HydrophobicContact CD2-CZ3 4.37Å; Y203-W296 HydrophobicContact CE1-CH2 4.46Å; Y203-W296 AromaticContact CE1-CZ3 3.9Å; Y203-W296 HydrophobicContact CE1-CZ3 3.9Å; Y203-W296 AromaticContact CE2-CH2 3.66Å; Y203-W296 HydrophobicContact CE2-CH2 3.66Å; Y203-W296 AromaticContact CE2-CZ3 3.72Å; Y203-W296 HydrophobicContact CE2-CZ3 3.72Å; Y203-W296 AromaticContact CZ-CH2 3.59Å; Y203-W296 AromaticContact CZ-CZ3 3.46Å; Y203-W296 VanDerWaalsContact CZ-CZ3 3.46Å; Y203-W296 WeakPolarHBondContact OH-CH2 3.37Å; M205-W296 HydrophobicContact CE-CB 3.7Å; M205-W296 HydrophobicContact CE-CD2 4.09Å; M205-W296 HydrophobicContact CE-CG 3.6Å; M205-W296 HydrophobicContact CG-CD2 3.75Å; M205-W296 HydrophobicContact CG-CE3 3.82Å; M205-W296 HydrophobicContact CG-CG 4.29Å; M205-W296 HydrophobicContact CG-CZ2 4.41Å; M205-W296 HydrophobicContact CG-CZ3 4.26Å; R208-W296 HydrophobicContact CG-CH2 3.82Å; R208-W296 HydrophobicContact CG-CZ2 4.43Å; E212-W296 VanDerWaalsContact OE1-CH2 3.24Å; E212-W296 WeakPolarHBondContact OE1-CH2 3.31Å; E212-W296 WeakPolarHBondContact OE1-CZ2 3.17Å; L292-W296 WeakPolarHBondContact O-CB 3.44Å; L292-W296 PolarHBondContact O-N 3.22Å; A293-W296 WeakPolarHBondContact O-CB 3.37Å; A293-W296 PolarHBondContact O-N 3.37Å; I294-W296 VanDerWaalsContact C-N 3.27Å; I294-W296 PolarHBondContact O-N 2.75Å; W296-L298 VanDerWaalsContact C-N 3.3Å; W296-L298 PolarHBondContact O-N 3.14Å; W296-R299 VanDerWaalsContact CZ2-CZ 3.44Å; W296-R299 VanDerWaalsContact NE1-CZ 3.27Å; W296-R299 WeakPolarHBondContact O-CB 3.46Å; W296-R299 WeakPolarHBondContact O-CD 3.27Å; W296-R299 WeakPolarHBondContact O-CG 3.4Å; W296-R299 PolarHBondContact O-N 3.18Å; W296-R299 PolarHBondContact O-NH1 2.97Å
297	C	98.1	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-38.7	174.8	-72.7	0	0	0	0	111.8	Y203 A293 I294 A295 V306	Y203-C297 HydrophobicContact CD1-CB 3.88Å; Y203-C297 HydrophobicContact CE1-CB 4.02Å; Y203-C297 WeakPolarHBondContact CE1-O 3.5Å; A293-C297 PolarHBondContact O-N 3.42Å; A293-C297 PolarHBondContact O-SG 3.21Å; I294-C297 WeakPolarHBondContact O-CB 2.9Å; I294-C297 PolarHBondContact O-N 3.26Å; A295-C297 VanDerWaalsContact C-N 3.31Å; A295-C297 PolarHBondContact O-N 3.01Å; C297-V306 HydrophobicContact CB-CG2 3.76Å
298	L	96.9	Very high	96.4	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-77	-19.3	-179.2	-75.7	176.5	0	0	0	115.1	C37 L38 I294 A295 W296 N300 V306	C37-L298 HydrophobicContact CB-CD1 4.3Å; C37-L298 HydrophobicContact CB-CD2 3.91Å; C37-L298 WeakPolarHBondContact O-CD2 3.14Å; L38-L298 HydrophobicContact CD2-CD1 3.71Å; L38-L298 HydrophobicContact CG-CD1 4.28Å; I294-L298 PolarHBondContact O-N 2.97Å; I294-L298 VanDerWaalsContact O-N 3.09Å; A295-L298 CarbonylContact O-C 3.58Å; A295-L298 PolarHBondContact O-N 3.47Å; A295-L298 VanDerWaalsContact O-N 3.07Å; W296-L298 VanDerWaalsContact C-N 3.3Å; W296-L298 PolarHBondContact O-N 3.14Å; L298-N300 CarbonylContact O-C 3.56Å; L298-N300 PolarHBondContact O-N 2.91Å; L298-V306 HydrophobicContact CD2-CB 4.43Å; L298-V306 HydrophobicContact CD2-CG2 3.63Å; L298-V306 HydrophobicContact CG-CG2 3.81Å
299	R	94.2	Very high	96.4	Very high	116 Å²	116	25.4 Å²	25.4	44%	0.438	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-25.3	175.9	92.9	-169.1	-177.7	-74.5	1.7	113.3	Y203 E212 A295 W296	Y203-R299 PolarHBondContact OH-NH1 2.75Å; Y203-R299 VanDerWaalsContact OH-NH1 3.11Å; E212-R299 IonicContact OE1-CZ 2.79Å; E212-R299 IonicContact OE1-NH2 3.18Å; E212-R299 PolarHBondContact OE1-NH2 3.35Å; A295-R299 PolarHBondContact O-N 2.65Å; W296-R299 VanDerWaalsContact CZ2-CZ 3.44Å; W296-R299 VanDerWaalsContact NE1-CZ 3.27Å; W296-R299 WeakPolarHBondContact O-CB 3.46Å; W296-R299 WeakPolarHBondContact O-CD 3.27Å; W296-R299 WeakPolarHBondContact O-CG 3.4Å; W296-R299 PolarHBondContact O-N 3.18Å; W296-R299 PolarHBondContact O-NH1 2.97Å
300	N	87.3	Confident	96.4	Very high	39 Å²	39	25.3 Å²	25.3	21%	0.209	14%	0.135	C	C	.	.	S	Bend	trans	-86.4	107.8	176.4	-174.3	-14.9	0	0	0	108.7	L298 G302 V303	L298-N300 CarbonylContact O-C 3.56Å; L298-N300 PolarHBondContact O-N 2.91Å; N300-G302 PolarHBondContact O-N 3.23Å; N300-G302 VanDerWaalsContact O-N 3.07Å; N300-G302 WeakPolarHBondContact OD1-CA 3.35Å; N300-G302 PolarHBondContact OD1-N 3.15Å; N300-V303 HydrophobicContact CB-CG2 4.14Å; N300-V303 WeakPolarHBondContact O-CB 3.43Å; N300-V303 PolarHBondContact O-N 3.16Å
301	E	85.1	Confident	96.3	Very high	174 Å²	174	26.3 Å²	26.3	81%	0.813	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.7	177.9	-63.8	-170.5	163.4	0	0	113.3	V303	E301-V303 PolarHBondContact O-N 2.81Å
302	G	89.4	Confident	96.3	Very high	29 Å²	29	27.4 Å²	27.4	30%	0.299	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.9	171.9	0	0	0	0	0	114.2	N300	N300-G302 PolarHBondContact O-N 3.23Å; N300-G302 VanDerWaalsContact O-N 3.07Å; N300-G302 WeakPolarHBondContact OD1-CA 3.35Å; N300-G302 PolarHBondContact OD1-N 3.15Å
303	V	97.5	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.1	171.7	179	0	0	0	0	109.1	R26 Y203 V211 T228 N300 E301 S305 V306	R26-V303 PolarHBondContact NH1-O 3.29Å; Y203-V303 HydrophobicContact CD1-CG2 4.15Å; Y203-V303 HydrophobicContact CE1-CG2 4.05Å; V211-V303 HydrophobicContact CG1-CG2 3.86Å; T228-V303 HydrophobicContact CG2-CG1 3.86Å; T228-V303 HydrophobicContact CG2-CG2 3.99Å; N300-V303 HydrophobicContact CB-CG2 4.14Å; N300-V303 WeakPolarHBondContact O-CB 3.43Å; N300-V303 PolarHBondContact O-N 3.16Å; E301-V303 PolarHBondContact O-N 2.81Å; V303-S305 WeakPolarHBondContact CG1-O 3.44Å; V303-V306 HydrophobicContact CG1-CG2 3.92Å
304	S	98.4	Very high	96.3	Very high	8 Å²	8	32.9 Å²	32.9	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-40	178	-62.6	0	0	0	0	111.9	N27 G29 A226	N27-S304 PolarHBondContact O-OG 3.1Å; G29-S304 PolarHBondContact N-OG 3.23Å; A226-S304 PolarHBondContact O-N 2.92Å
305	S	98.8	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	152.2	176.5	-177.9	0	0	0	0	112.5	S36 C37 G39 L69 M227 T228 V303	S36-S305 WeakPolarHBondContact O-CB 3.38Å; S36-S305 PolarHBondContact O-OG 2.79Å; S36-S305 VanDerWaalsContact O-OG 3.09Å; C37-S305 CarbonylContact O-C 3.53Å; C37-S305 WeakPolarHBondContact O-CA 3.33Å; C37-S305 PolarHBondContact O-OG 3.36Å; G39-S305 PolarHBondContact N-OG 2.85Å; L69-S305 VanDerWaalsContact CD2-OG 3.31Å; L69-S305 WeakPolarHBondContact CD2-OG 3.35Å; M227-S305 WeakPolarHBondContact CA-O 3.05Å; T228-S305 PolarHBondContact N-O 2.85Å; T228-S305 PolarHBondContact OG1-O 3.05Å; V303-S305 WeakPolarHBondContact CG1-O 3.44Å
306	V	98.8	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.6	170.5	177.8	0	0	0	0	109.7	C37 L38 G39 T228 P231 C297 L298 V303 L308	C37-V306 PolarHBondContact O-N 2.8Å; L38-V306 WeakPolarHBondContact CA-O 3.45Å; L38-V306 HydrophobicContact CD2-CB 4.09Å; G39-V306 PolarHBondContact N-O 3.05Å; T228-V306 WeakPolarHBondContact OG1-CG2 3.49Å; P231-V306 HydrophobicContact CB-CG1 3.52Å; P231-V306 HydrophobicContact CG-CG1 3.57Å; C297-V306 HydrophobicContact CB-CG2 3.76Å; L298-V306 HydrophobicContact CD2-CB 4.43Å; L298-V306 HydrophobicContact CD2-CG2 3.63Å; L298-V306 HydrophobicContact CG-CG2 3.81Å; V303-V306 HydrophobicContact CG1-CG2 3.92Å; V306-L308 PolarHBondContact O-N 3.38Å
307	L	98.9	Very high	96.3	Very high	7 Å²	7	36 Å²	36	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.3	176.1	-66.1	176.5	0	0	0	110.8	L69 D71 Q200 M227 T228 W229 P231	L69-L307 HydrophobicContact CD2-CD2 3.82Å; L69-L307 HydrophobicContact CG-CD2 4.14Å; D71-L307 HydrophobicContact CB-CD1 3.82Å; D71-L307 HydrophobicContact CB-CD2 3.78Å; D71-L307 HydrophobicContact CB-CG 4.45Å; Q200-L307 HydrophobicContact CG-CD1 4.16Å; M227-L307 HydrophobicContact CG-CD1 4.06Å; M227-L307 HydrophobicContact CG-CD2 4.38Å; M227-L307 HydrophobicContact CG-CG 3.97Å; M227-L307 HydrophobicContact SD-CD1 3.93Å; M227-L307 HydrophobicContact SD-CD2 4.15Å; M227-L307 HydrophobicContact SD-CG 4.18Å; T228-L307 WeakPolarHBondContact O-CB 3.43Å; T228-L307 PolarHBondContact O-N 2.89Å; W229-L307 HydrophobicContact CB-CB 4.49Å; W229-L307 HydrophobicContact CB-CD1 4.47Å; P231-L307 WeakPolarHBondContact CD-O 3.3Å
308	L	98.8	Very high	96.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	153.7	174.6	-57.1	-177.5	0	0	0	111.3	L38 G39 G41 P231 I294 V306 L316 N319	L38-L308 HydrophobicContact CB-CD1 4.31Å; L38-L308 HydrophobicContact CD1-CD1 4.2Å; L38-L308 HydrophobicContact CD2-CD2 4.18Å; L38-L308 HydrophobicContact CD2-CG 4.42Å; G39-L308 WeakPolarHBondContact O-CB 3.49Å; G39-L308 PolarHBondContact O-N 3.49Å; G41-L308 PolarHBondContact N-O 3.31Å; P231-L308 HydrophobicContact CG-CD2 4.32Å; I294-L308 HydrophobicContact CD1-CD2 3.71Å; I294-L308 HydrophobicContact CG1-CD2 4.16Å; I294-L308 HydrophobicContact CG2-CD2 4.19Å; V306-L308 PolarHBondContact O-N 3.38Å; L308-L316 HydrophobicContact CD1-CD1 4Å; L308-N319 HydrophobicContact CD1-CB 3.93Å; L308-N319 HydrophobicContact CD2-CB 4.23Å
309	G	97.8	Very high	96.3	Very high	34 Å²	34	39 Å²	39	35%	0.351	21%	0.21	S	C	.	.			trans	-132.6	131.1	163.7	0	0	0	0	0	109.2
310	A	97.6	Very high	96.5	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	19%	0.19	C	C	.	.			trans	-138.3	138.8	-178.9	0	0	0	0	0	110.3	T45 L58 Q315 L316	T45-A310 WeakPolarHBondContact CG2-O 3.43Å; L58-A310 VanDerWaalsContact CD1-O 3.31Å; L58-A310 WeakPolarHBondContact CD1-O 3.34Å; L58-A310 HydrophobicContact CD2-CB 4.22Å; A310-Q315 HydrophobicContact CB-CB 4.08Å; A310-L316 HydrophobicContact CB-CB 3.84Å
311	S	96.4	Very high	96.9	Very high	31 Å²	31	32.4 Å²	32.4	22%	0.217	19%	0.185	C	C	.	.	S	Bend	trans	-99.9	-4.7	175.9	67	0	0	0	0	113.2	I50 Q315	I50-S311 VanDerWaalsContact CG2-O 3.3Å; I50-S311 WeakPolarHBondContact CG2-O 3.43Å; S311-Q315 PolarHBondContact OG-NE2 2.96Å; S311-Q315 PolarHBondContact OG-OE1 2.85Å
312	N	98	Very high	97.4	Very high	52 Å²	52	24.1 Å²	24.1	28%	0.278	15%	0.147	S	C	.	.	S	Bend	trans	-156.5	165.2	174.9	63.3	39.8	0	0	0	110.8	L58 D314 Q315 L316	L58-N312 WeakPolarHBondContact CD2-O 3.25Å; N312-D314 PolarHBondContact O-N 3.15Å; N312-D314 PolarHBondContact OD1-N 2.95Å; N312-Q315 PolarHBondContact O-N 3.39Å; N312-Q315 WeakPolarHBondContact OD1-CB 3.49Å; N312-Q315 VanDerWaalsContact OD1-CG 3.25Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.31Å; N312-Q315 PolarHBondContact OD1-N 2.65Å; N312-L316 PolarHBondContact O-N 2.99Å
313	A	98.2	Very high	97.4	Very high	14 Å²	14	22.8 Å²	22.8	12%	0.116	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-39	-176.6	0	0	0	0	0	113.4	L61 Q315 L316 M317	L61-A313 HydrophobicContact CD1-CB 3.62Å; A313-Q315 PolarHBondContact O-N 2.91Å; A313-L316 PolarHBondContact O-N 3.1Å; A313-L316 VanDerWaalsContact O-N 3.12Å; A313-M317 PolarHBondContact O-N 2.67Å
314	D	97.9	Very high	96.7	Very high	126 Å²	126	27.7 Å²	27.7	67%	0.674	16%	0.155	S	C	*	.	H	α-helix	trans	-60.7	-45.6	-178.6	-58.4	-37.8	0	0	0	111.3	N312 L316 M317 E318	N312-D314 PolarHBondContact O-N 3.15Å; N312-D314 PolarHBondContact OD1-N 2.95Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.08Å; D314-M317 PolarHBondContact O-N 3.5Å; D314-E318 VanDerWaalsContact O-CB 3.25Å; D314-E318 WeakPolarHBondContact O-CB 3.24Å; D314-E318 PolarHBondContact O-N 3.27Å
315	Q	98.1	Very high	95.5	Very high	42 Å²	42	29.1 Å²	29.1	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.2	-73.8	171.2	12.7	0	0	111.8	A310 S311 N312 A313 N319	A310-Q315 HydrophobicContact CB-CB 4.08Å; S311-Q315 PolarHBondContact OG-NE2 2.96Å; S311-Q315 PolarHBondContact OG-OE1 2.85Å; N312-Q315 PolarHBondContact O-N 3.39Å; N312-Q315 WeakPolarHBondContact OD1-CB 3.49Å; N312-Q315 VanDerWaalsContact OD1-CG 3.25Å; N312-Q315 WeakPolarHBondContact OD1-CG 3.31Å; N312-Q315 PolarHBondContact OD1-N 2.65Å; A313-Q315 PolarHBondContact O-N 2.91Å; Q315-N319 VanDerWaalsContact O-CB 3.23Å; Q315-N319 WeakPolarHBondContact O-CB 3.45Å; Q315-N319 PolarHBondContact O-N 3.31Å; Q315-N319 PolarHBondContact O-ND2 3.35Å; Q315-N319 VanDerWaalsContact O-ND2 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.25Å
316	L	98.4	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-46	-179.5	179.5	60.3	0	0	0	111.2	L40 L58 L61 A62 L308 A310 N312 A313 D314 N319 I320	L40-L316 HydrophobicContact CD1-CD1 4.25Å; L58-L316 HydrophobicContact CB-CD2 4.09Å; L58-L316 HydrophobicContact CD2-CB 3.8Å; L58-L316 HydrophobicContact CD2-CD2 3.76Å; L58-L316 HydrophobicContact CD2-CG 4.44Å; L58-L316 WeakPolarHBondContact O-CD2 3.38Å; L61-L316 HydrophobicContact CB-CD2 4Å; A62-L316 HydrophobicContact CB-CD2 4.31Å; L308-L316 HydrophobicContact CD1-CD1 4Å; A310-L316 HydrophobicContact CB-CB 3.84Å; N312-L316 PolarHBondContact O-N 2.99Å; A313-L316 PolarHBondContact O-N 3.1Å; A313-L316 VanDerWaalsContact O-N 3.12Å; D314-L316 VanDerWaalsContact C-N 3.31Å; D314-L316 PolarHBondContact O-N 3.08Å; L316-N319 PolarHBondContact O-N 2.96Å; L316-I320 HydrophobicContact CD1-CD1 4.02Å; L316-I320 HydrophobicContact CD1-CG1 4.23Å; L316-I320 HydrophobicContact CG-CD1 3.88Å; L316-I320 HydrophobicContact CG-CG1 4.49Å; L316-I320 VanDerWaalsContact O-CG1 3.3Å; L316-I320 WeakPolarHBondContact O-CG1 3.42Å; L316-I320 PolarHBondContact O-N 2.95Å
317	M	98.1	Very high	91.7	Very high	79 Å²	79	37.2 Å²	37.2	39%	0.389	20%	0.199	S	C	.	.	H	α-helix	trans	-65.6	-40.6	178.7	-70.2	-55.4	-58.8	0	0	112	L61 A313 D314 N319 I320 G321	L61-M317 HydrophobicContact CB-SD 4.39Å; L61-M317 HydrophobicContact CD1-CG 4.33Å; L61-M317 HydrophobicContact CD1-SD 4.45Å; L61-M317 HydrophobicContact CD2-SD 4.01Å; A313-M317 PolarHBondContact O-N 2.67Å; D314-M317 PolarHBondContact O-N 3.5Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.98Å; M317-I320 PolarHBondContact O-N 3.43Å; M317-I320 HydrophobicContact SD-CD1 4.37Å; M317-G321 PolarHBondContact O-N 3.05Å; M317-G321 VanDerWaalsContact O-N 3.12Å
318	E	97.6	Very high	89.1	Confident	59 Å²	59	44.4 Å²	44.4	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-55.8	-51.1	171.2	-176.4	-170.5	159.6	0	0	110.4	T288 P290 Q291 D314 I320 G321	T288-E318 WeakPolarHBondContact CB-OE1 3.47Å; T288-E318 HydrophobicContact CG2-CG 4.03Å; T288-E318 WeakPolarHBondContact CG2-OE1 3.46Å; T288-E318 PolarHBondContact OG1-OE1 2.73Å; P290-E318 WeakPolarHBondContact CB-OE1 3.39Å; P290-E318 WeakPolarHBondContact CD-OE1 3.44Å; P290-E318 VanDerWaalsContact CG-OE1 3.22Å; P290-E318 WeakPolarHBondContact CG-OE1 3.45Å; Q291-E318 HydrophobicContact CG-CG 4.27Å; Q291-E318 WeakPolarHBondContact CG-O 3.37Å; Q291-E318 PolarHBondContact NE2-O 3.31Å; D314-E318 VanDerWaalsContact O-CB 3.25Å; D314-E318 WeakPolarHBondContact O-CB 3.24Å; D314-E318 PolarHBondContact O-N 3.27Å; E318-I320 PolarHBondContact O-N 3.34Å; E318-G321 WeakPolarHBondContact O-CA 3.36Å; E318-G321 PolarHBondContact O-N 3.08Å; E318-G321 VanDerWaalsContact O-N 3.09Å
319	N	98.1	Very high	88.7	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-38.5	-178.5	-71.2	-18.2	0	0	0	113.1	I294 L308 Q315 L316 M317 G321 A322	I294-N319 HydrophobicContact CD1-CB 3.57Å; I294-N319 VanDerWaalsContact CD1-CG 3.47Å; I294-N319 WeakPolarHBondContact CD1-OD1 3.24Å; L308-N319 HydrophobicContact CD1-CB 3.93Å; L308-N319 HydrophobicContact CD2-CB 4.23Å; Q315-N319 VanDerWaalsContact O-CB 3.23Å; Q315-N319 WeakPolarHBondContact O-CB 3.45Å; Q315-N319 PolarHBondContact O-N 3.31Å; Q315-N319 PolarHBondContact O-ND2 3.35Å; Q315-N319 VanDerWaalsContact O-ND2 3.08Å; Q315-N319 PolarHBondContact O-OD1 3.25Å; L316-N319 PolarHBondContact O-N 2.96Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.98Å; N319-G321 PolarHBondContact O-N 3.18Å; N319-A322 WeakPolarHBondContact O-CB 3.4Å; N319-A322 PolarHBondContact O-N 3.21Å; N319-A322 VanDerWaalsContact O-N 3.15Å
320	I	97.4	Very high	88.2	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-33.4	174.7	-70.9	167.5	0	0	0	110.7	N65 I67 L316 M317 E318 A322 I323	N65-I320 HydrophobicContact CB-CD1 4.15Å; N65-I320 HydrophobicContact CB-CG2 4.31Å; I67-I320 HydrophobicContact CD1-CD1 4.23Å; I67-I320 HydrophobicContact CD1-CG1 4.2Å; L316-I320 HydrophobicContact CD1-CD1 4.02Å; L316-I320 HydrophobicContact CD1-CG1 4.23Å; L316-I320 HydrophobicContact CG-CD1 3.88Å; L316-I320 HydrophobicContact CG-CG1 4.49Å; L316-I320 VanDerWaalsContact O-CG1 3.3Å; L316-I320 WeakPolarHBondContact O-CG1 3.42Å; L316-I320 PolarHBondContact O-N 2.95Å; M317-I320 PolarHBondContact O-N 3.43Å; M317-I320 HydrophobicContact SD-CD1 4.37Å; E318-I320 PolarHBondContact O-N 3.34Å; I320-A322 PolarHBondContact O-N 2.98Å; I320-I323 WeakPolarHBondContact O-CG1 3.37Å; I320-I323 PolarHBondContact O-N 3.28Å
321	G	95.8	Very high	87.7	Confident	10 Å²	10	49.7 Å²	49.7	10%	0.103	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16	174.1	0	0	0	0	0	114.6	M317 E318 N319 I323 Q324	M317-G321 PolarHBondContact O-N 3.05Å; M317-G321 VanDerWaalsContact O-N 3.12Å; E318-G321 WeakPolarHBondContact O-CA 3.36Å; E318-G321 PolarHBondContact O-N 3.08Å; E318-G321 VanDerWaalsContact O-N 3.09Å; N319-G321 PolarHBondContact O-N 3.18Å; G321-I323 PolarHBondContact O-N 2.83Å; G321-Q324 WeakPolarHBondContact O-CB 3.44Å; G321-Q324 PolarHBondContact O-N 2.84Å; G321-Q324 VanDerWaalsContact O-N 3.15Å
322	A	95.1	Very high	87.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-26.7	174.1	0	0	0	0	0	113.5	Q291 I294 A295 N319 I320 Q324 Q325 E326	Q291-A322 HydrophobicContact CB-CB 4.39Å; Q291-A322 WeakPolarHBondContact O-CB 3.49Å; I294-A322 HydrophobicContact CB-CB 3.72Å; I294-A322 HydrophobicContact CG2-CB 3.61Å; A295-A322 HydrophobicContact CB-CB 4.4Å; N319-A322 WeakPolarHBondContact O-CB 3.4Å; N319-A322 PolarHBondContact O-N 3.21Å; N319-A322 VanDerWaalsContact O-N 3.15Å; I320-A322 PolarHBondContact O-N 2.98Å; A322-Q324 PolarHBondContact O-N 3.23Å; A322-Q325 WeakPolarHBondContact O-CB 3.39Å; A322-Q325 PolarHBondContact O-N 3.42Å; A322-E326 PolarHBondContact O-N 3.34Å
323	I	90.5	Very high	86.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-31.5	178.7	-60.9	172.9	0	0	0	111.4	P21 M23 L38 I320 G321 Q325 E326	P21-I323 HydrophobicContact CB-CB 4.45Å; P21-I323 HydrophobicContact CB-CG2 4.14Å; P21-I323 HydrophobicContact CG-CB 4.49Å; M23-I323 HydrophobicContact CE-CD1 3.52Å; M23-I323 HydrophobicContact SD-CD1 3.68Å; L38-I323 HydrophobicContact CD1-CD1 3.8Å; L38-I323 HydrophobicContact CD1-CG1 3.73Å; L38-I323 HydrophobicContact CG-CD1 4.42Å; L38-I323 HydrophobicContact CG-CG1 4.39Å; I320-I323 WeakPolarHBondContact O-CG1 3.37Å; I320-I323 PolarHBondContact O-N 3.28Å; G321-I323 PolarHBondContact O-N 2.83Å; I323-Q325 PolarHBondContact O-N 3.11Å; I323-E326 PolarHBondContact O-N 3.4Å
324	Q	82.8	Confident	85.7	Confident	102 Å²	102	53.1 Å²	53.1	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-32.1	177.6	-59.5	-177.9	-5.5	0	0	111.8	P21 G321 A322	P21-Q324 HydrophobicContact CB-CG 3.73Å; P21-Q324 HydrophobicContact CG-CG 3.54Å; G321-Q324 WeakPolarHBondContact O-CB 3.44Å; G321-Q324 PolarHBondContact O-N 2.84Å; G321-Q324 VanDerWaalsContact O-N 3.15Å; A322-Q324 PolarHBondContact O-N 3.23Å
325	Q	73.4	Confident	84.8	Confident	38 Å²	38	47.9 Å²	47.9	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-82.8	-18.7	-177.9	-57.1	-59.7	-47.6	0	0	112.7	C287 A295 A322 I323 Q327 T328	C287-Q325 HydrophobicContact CB-CG 3.85Å; A295-Q325 HydrophobicContact CB-CB 3.79Å; A322-Q325 WeakPolarHBondContact O-CB 3.39Å; A322-Q325 PolarHBondContact O-N 3.42Å; I323-Q325 PolarHBondContact O-N 3.11Å; Q325-Q327 VanDerWaalsContact C-N 3.3Å; Q325-T328 PolarHBondContact O-OG1 2.74Å
326	E	60.3	Low	83.8	Confident	44 Å²	44	48.4 Å²	48.4	21%	0.206	25%	0.25	C	S	.	.	H	α-helix	trans	-73.8	-24.5	173.5	-174.2	176.9	-160.3	0	0	112.1	R26 A322 I323	R26-E326 IonicContact CZ-OE1 2.96Å; R26-E326 IonicContact NH1-OE1 2.86Å; R26-E326 IonicContact NH2-OE1 3.5Å; R26-E326 PolarHBondContact NH2-OE1 2.89Å; R26-E326 IonicContact NH2-OE2 3.96Å; A322-E326 PolarHBondContact O-N 3.34Å; I323-E326 PolarHBondContact O-N 3.4Å
327	Q	55.8	Low	82.6	Confident	126 Å²	126	52.4 Å²	52.4	59%	0.589	27%	0.271	S	S	*	.			trans	-88.3	-8.8	-177	-64.2	-177.8	1.9	0	0	114.1	Q325	Q325-Q327 VanDerWaalsContact C-N 3.3Å
328	T	46.2	Very low	81.2	Confident	159 Å²	159	50 Å²	50	98%	0.975	26%	0.26	S	S	*	.			trans	-105.8	0	178.4	36.5	0	0	0	0	111.7	Q325	Q325-T328 PolarHBondContact O-OG1 2.74Å

Retrieved 328 of 328 residues in 240.9 ms (Link to these results)

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