A0A077ZLI2_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZLI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	31	Very low	248 Å²	248	190.2 Å²	190.2	100%	1.222	90%	0.904	S	S	*	*				0	94.4	0	-75.6	170.5	166.9	0	0	107.6
2	R	33	Very low	30.7	Very low	251 Å²	251	183.5 Å²	183.5	95%	0.947	89%	0.893	S	S	*	*			trans	-99.7	138	176.7	-95	-176.6	-177.7	175.4	0.8	109.5
3	S	35.5	Very low	30.5	Very low	104 Å²	104	179.2 Å²	179.2	73%	0.727	88%	0.884	S	S	*	*			trans	-62.6	163	-169.5	43.3	0	0	0	0	114
4	R	31.7	Very low	30.2	Very low	251 Å²	251	180.5 Å²	180.5	95%	0.947	89%	0.887	S	S	*	*			trans	-110.1	42.5	-153.6	-148.6	-178.2	-163.2	-175.3	3.6	111.6
5	E	32.9	Very low	30.2	Very low	171 Å²	171	176.3 Å²	176.3	80%	0.799	88%	0.876	S	S	*	*			trans	-114.7	4.8	-163.1	-78.4	179.2	159	0	0	117.9
6	E	30.5	Very low	29.9	Very low	188 Å²	188	175.4 Å²	175.4	88%	0.879	88%	0.875	S	S	*	*	S	Bend	trans	-105.7	28.4	-175.7	-84.5	-174.5	159.9	0	0	117.1
7	Y	31.6	Very low	29.8	Very low	229 Å²	229	175.6 Å²	175.6	90%	0.898	87%	0.869	S	S	*	*	S	Bend	trans	-130.8	29.6	176.7	-94.5	-78.5	0	0	0	116.7
8	N	28.3	Very low	29.5	Very low	162 Å²	162	171.8 Å²	171.8	87%	0.866	86%	0.86	S	S	*	*			trans	-123.1	63.6	170.8	-81.1	-22	0	0	0	111.9
9	E	27.2	Very low	29.4	Very low	185 Å²	185	174 Å²	174	86%	0.864	86%	0.863	S	S	*	*			trans	-144.5	20.8	172.9	-118.5	179.5	-156.4	0	0	116.7
10	L	28.5	Very low	29.5	Very low	186 Å²	186	174 Å²	174	97%	0.974	86%	0.861	S	S	*	*	S	Bend	trans	-124.4	35.9	173.8	-75.9	165.8	0	0	0	113.8
11	S	30.3	Very low	29.5	Very low	117 Å²	117	170.2 Å²	170.2	82%	0.818	85%	0.851	S	S	*	*			trans	-133.1	52.7	178.6	173.7	0	0	0	0	112.3
12	S	27.2	Very low	29.3	Very low	110 Å²	110	167.7 Å²	167.7	77%	0.769	84%	0.836	S	S	*	*			trans	-165	65.9	163.2	59.9	0	0	0	0	112.8
13	T	28.6	Very low	29.3	Very low	128 Å²	128	161.4 Å²	161.4	79%	0.785	83%	0.826	S	S	*	*			trans	-115	94.7	153.2	50.8	0	0	0	0	107.5	T15	T13-T15 PolarHBondContact O-N 3Å
14	Q	26.8	Very low	29.2	Very low	197 Å²	197	161 Å²	161	92%	0.921	83%	0.828	S	S	*	*			trans	-62.6	85.8	166.3	-75	177.2	-9.7	0	0	108.4	N16	Q14-N16 PolarHBondContact O-N 3.26Å
15	T	29.5	Very low	29.3	Very low	117 Å²	117	154.5 Å²	154.5	72%	0.718	82%	0.822	S	S	*	*			trans	-80.1	113.9	164.8	50.3	0	0	0	0	108	T13 K17	T13-T15 PolarHBondContact O-N 3Å; T15-K17 PolarHBondContact O-N 2.79Å
16	N	25.6	Very low	29.5	Very low	163 Å²	163	149.1 Å²	149.1	87%	0.872	80%	0.802	S	S	*	*			trans	-38	103.7	171.2	-78.9	-33.4	0	0	0	111.8	Q14	Q14-N16 PolarHBondContact O-N 3.26Å
17	K	28.4	Very low	29.8	Very low	178 Å²	178	145.1 Å²	145.1	77%	0.774	79%	0.79	S	S	*	*			trans	-68.7	125.8	167.8	-83.4	-177.9	177.9	176.8	0	108.2	T15 K19	T15-K17 PolarHBondContact O-N 2.79Å; K17-K19 PolarHBondContact O-N 3.02Å
18	P	24.7	Very low	30.4	Very low	107 Å²	107	142 Å²	142	70%	0.695	78%	0.777	S	S	*	*			trans	-62.3	131.3	174.8	-17.4	29.3	0	0	0	110.3	H20	P18-H20 PolarHBondContact O-N 3Å
19	K	26	Very low	31.1	Very low	214 Å²	214	138.1 Å²	138.1	93%	0.93	75%	0.751	S	S	*	*			trans	-59.8	95.5	167.2	-73.2	-179.5	175.9	-179.5	0	108.5	K17	K17-K19 PolarHBondContact O-N 3.02Å
20	H	31.5	Very low	31.7	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.806	74%	0.744	S	S	*	*			trans	-75.6	133.6	167.6	-93.6	-58.5	0	0	0	109.4	P18	P18-H20 PolarHBondContact O-N 3Å
21	S	30	Very low	32.3	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	70%	0.701	S	S	*	*			trans	-49.8	134.6	-171.9	54.3	0	0	0	0	114.4	T23	S21-T23 PolarHBondContact O-N 2.9Å
22	Q	28	Very low	32.6	Very low	195 Å²	195	131 Å²	131	91%	0.911	70%	0.702	S	S	*	*			trans	-48.3	112.4	162.1	-64.2	168.2	-10.4	0	0	110.5
23	T	31.8	Very low	32.8	Very low	120 Å²	120	133.3 Å²	133.3	74%	0.736	70%	0.7	S	S	*	*			trans	-139.7	103.4	162.2	54.3	0	0	0	0	108.6	S21	S21-T23 PolarHBondContact O-N 2.9Å
24	A	33.4	Very low	33.1	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	69%	0.692	S	S	*	*			trans	40.5	114.8	161.1	0	0	0	0	0	118.2	P26	A24-P26 VanDerWaalsContact O-N 3.16Å
25	S	33.5	Very low	33.3	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	68%	0.682	S	S	*	*			trans	-44.1	120	162.8	-55.1	0	0	0	0	110.1	T27	S25-T27 PolarHBondContact O-N 3.39Å; S25-T27 VanDerWaalsContact O-N 3.15Å
26	P	37.1	Very low	33.7	Very low	58 Å²	58	125.4 Å²	125.4	38%	0.377	67%	0.668	S	S	.	*			trans	-66.3	119.8	-179.6	-15.4	28.4	0	0	0	108.2	A24 R28	A24-P26 VanDerWaalsContact O-N 3.16Å; P26-R28 PolarHBondContact O-N 3.3Å
27	T	37.2	Very low	34.5	Very low	104 Å²	104	125.9 Å²	125.9	64%	0.638	67%	0.67	S	S	*	*			trans	-49.1	111.4	168.7	45.1	0	0	0	0	108.7	S25 Y29	S25-T27 PolarHBondContact O-N 3.39Å; S25-T27 VanDerWaalsContact O-N 3.15Å; T27-Y29 PolarHBondContact O-N 3.18Å
28	R	45.8	Very low	35.3	Very low	162 Å²	162	123 Å²	123	61%	0.611	66%	0.664	S	S	*	*			trans	-58.1	133.9	178.2	-158.1	-178	-102.9	178.4	-9.2	107.8	P26 D30 E233	P26-R28 PolarHBondContact O-N 3.3Å; R28-D30 PolarHBondContact O-N 3.1Å; R28-E233 IonicContact CZ-OE1 3.64Å; R28-E233 IonicContact NE-OE1 3.91Å; R28-E233 IonicContact NH2-OE1 3.34Å; R28-E233 PolarHBondContact NH2-OE1 3.33Å
29	Y	42.8	Very low	36.5	Very low	82 Å²	82	125.9 Å²	125.9	32%	0.322	67%	0.67	S	S	.	*			trans	-65.1	117	174.5	175.9	-103.8	0	0	0	108.6	T27 P31 L159	T27-Y29 PolarHBondContact O-N 3.18Å; Y29-P31 HydrophobicContact CD1-CB 4.38Å; Y29-P31 HydrophobicContact CD1-CG 4.31Å; Y29-P31 HydrophobicContact CE1-CB 3.6Å; Y29-P31 HydrophobicContact CE1-CG 3.96Å; Y29-P31 WeakPolarHBondContact O-CD 3.4Å; Y29-L159 HydrophobicContact CD1-CD1 4.42Å
30	D	38.9	Very low	37.8	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	67%	0.666	S	S	*	*			trans	-100.1	106.6	167.6	-167.7	11.5	0	0	0	107.5	R28 K32	R28-D30 PolarHBondContact O-N 3.1Å; D30-K32 PolarHBondContact O-N 2.98Å; D30-K32 VanDerWaalsContact O-N 3.12Å
31	P	41.7	Very low	39.3	Very low	11 Å²	11	120.7 Å²	120.7	7%	0.071	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-62.3	118.2	176.3	12.5	-15.4	0	0	0	109.4	Y29 E33 V61	Y29-P31 HydrophobicContact CD1-CB 4.38Å; Y29-P31 HydrophobicContact CD1-CG 4.31Å; Y29-P31 HydrophobicContact CE1-CB 3.6Å; Y29-P31 HydrophobicContact CE1-CG 3.96Å; Y29-P31 WeakPolarHBondContact O-CD 3.4Å; P31-E33 PolarHBondContact O-N 3.18Å; P31-E33 VanDerWaalsContact O-N 3.11Å; P31-V61 HydrophobicContact CB-CG1 3.45Å; P31-V61 VanDerWaalsContact CB-CG1 3.45Å; P31-V61 HydrophobicContact CG-CB 4.36Å; P31-V61 HydrophobicContact CG-CG1 3.7Å; P31-V61 HydrophobicContact CG-CG2 3.96Å
32	K	36	Very low	41.5	Very low	193 Å²	193	124.2 Å²	124.2	84%	0.839	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-47.7	121.8	166.9	-72.7	-174.4	176	-177.2	0	108.6	D30 T34	D30-K32 PolarHBondContact O-N 2.98Å; D30-K32 VanDerWaalsContact O-N 3.12Å; K32-T34 PolarHBondContact O-N 3.42Å
33	E	31.9	Very low	44.3	Very low	159 Å²	159	116.5 Å²	116.5	74%	0.743	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-55.2	127.1	-171.9	-68.3	-179.4	138.8	0	0	111.9	P31	P31-E33 PolarHBondContact O-N 3.18Å; P31-E33 VanDerWaalsContact O-N 3.11Å
34	T	33.7	Very low	46.8	Very low	98 Å²	98	116.6 Å²	116.6	60%	0.601	62%	0.619	S	S	*	*			trans	-139.4	92	150	-24	0	0	0	0	106.1	K32 S36	K32-T34 PolarHBondContact O-N 3.42Å; T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact O-N 2.83Å
35	V	32.3	Very low	49.4	Very low	117 Å²	117	118.1 Å²	118.1	71%	0.709	61%	0.61	S	S	*	*			trans	-74.9	89.8	170.2	-178.1	0	0	0	0	106.4
36	S	37.8	Very low	52.1	Low	61 Å²	61	117.9 Å²	117.9	43%	0.427	60%	0.603	S	S	.	*			trans	-106.6	117.9	165.5	164.7	0	0	0	0	108	T34 D38	T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact O-N 2.83Å; S36-D38 PolarHBondContact O-N 3.03Å; S36-D38 PolarHBondContact OG-N 3.06Å
37	N	42.7	Very low	54.9	Low	172 Å²	172	118.1 Å²	118.1	92%	0.92	60%	0.599	S	S	*	*			trans	-83.4	14.9	170.9	-96.6	-4.5	0	0	0	112.6
38	D	43.5	Very low	57.7	Low	119 Å²	119	114.2 Å²	114.2	64%	0.636	58%	0.575	S	S	*	*	S	Bend	trans	-116.4	151.7	-170.8	-152.9	2.9	0	0	0	115.6	S36	S36-D38 PolarHBondContact O-N 3.03Å; S36-D38 PolarHBondContact OG-N 3.06Å
39	M	51.2	Low	60	Low	167 Å²	167	107 Å²	107	82%	0.823	55%	0.549	S	S	*	.	S	Bend	trans	-62.2	129.3	-173.9	-84.7	161.7	30.1	0	0	113.4
40	R	52.9	Low	62.6	Low	227 Å²	227	106.5 Å²	106.5	86%	0.857	56%	0.556	S	S	*	*			trans	64.4	101	175.8	-60.5	-176.6	-180	-178.1	1	114.6	E42	R40-E42 PolarHBondContact O-N 2.72Å
41	I	62.6	Low	65.3	Low	51 Å²	51	100.5 Å²	100.5	26%	0.262	52%	0.523	S	S	.	.			trans	-69.2	113.7	163	-54.3	153.6	0	0	0	107.2	P50 S62	I41-P50 HydrophobicContact CB-CB 3.82Å; I41-P50 HydrophobicContact CD1-CB 4.17Å; I41-P50 HydrophobicContact CG2-CB 3.96Å; I41-S62 WeakPolarHBondContact CD1-OG 3.28Å
42	E	76.2	Confident	67.9	Low	169 Å²	169	104.4 Å²	104.4	79%	0.79	54%	0.539	S	S	*	.			trans	-94.3	108.2	166.3	-71	-171.5	171.4	0	0	108.8	R40 S44	R40-E42 PolarHBondContact O-N 2.72Å; E42-S44 PolarHBondContact O-N 2.73Å
43	C	87.7	Confident	70.8	Confident	32 Å²	32	95.4 Å²	95.4	22%	0.216	50%	0.5	C	S	.	.			trans	-78.2	115.1	171.9	-56.1	0	0	0	0	108.6	T48 F49 P50 C64	C43-T48 WeakPolarHBondContact CB-OG1 3.45Å; C43-F49 VanDerWaalsContact SG-C 3.53Å; C43-P50 VanDerWaalsContact SG-CA 3.6Å; C43-P50 VanDerWaalsContact SG-N 3.44Å; C43-C64 WeakPolarHBondContact CA-SG 3.49Å; C43-C64 HydrophobicContact CB-CB 3.81Å; C43-C64 WeakPolarHBondContact CB-SG 3.45Å; C43-C64 VanDerWaalsContact SG-CA 3.57Å; C43-C64 WeakPolarHBondContact SG-CB 3.46Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 3.35Å
44	S	84.8	Confident	73.9	Confident	123 Å²	123	89.2 Å²	89.2	86%	0.86	47%	0.472	S	S	*	.			trans	-82.2	-18.3	-172.1	55.8	0	0	0	0	114.4	E42	E42-S44 PolarHBondContact O-N 2.73Å
45	Q	87.6	Confident	76.9	Confident	126 Å²	126	87.2 Å²	87.2	59%	0.589	45%	0.454	S	S	*	.	S	Bend	trans	-83.6	147.8	-176.6	-69.5	-176.1	-9.2	0	0	111.9	T48	Q45-T48 HydrophobicContact CB-CG2 3.57Å; Q45-T48 WeakPolarHBondContact O-CB 3.41Å; Q45-T48 PolarHBondContact O-N 3.36Å; Q45-T48 PolarHBondContact O-OG1 3.41Å
46	V	90.2	Very high	79.8	Confident	110 Å²	110	85.4 Å²	85.4	67%	0.667	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	144.6	174.3	-177.5	0	0	0	0	110.2	T48	V46-T48 PolarHBondContact O-N 3.22Å
47	H	94.5	Very high	82.5	Confident	63 Å²	63	86.9 Å²	86.9	29%	0.292	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.5	-179.1	-50.4	148.3	0	0	0	114.7	R66 Y67 L70 E72	H47-R66 WeakPolarHBondContact O-CA 3.39Å; H47-Y67 HydrophobicContact CB-CD2 4.08Å; H47-Y67 WeakPolarHBondContact O-CD2 3.32Å; H47-Y67 PolarHBondContact O-N 2.97Å; H47-L70 HydrophobicContact CB-CD2 4.37Å; H47-E72 IonicContact CD2-OE1 3.07Å; H47-E72 PolarHBondContact CD2-OE1 3.09Å; H47-E72 IonicContact NE2-OE1 3.19Å; H47-E72 PolarHBondContact NE2-OE1 3.46Å
48	T	96.3	Very high	84.8	Confident	22 Å²	22	85.2 Å²	85.2	14%	0.135	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	159.2	173.3	62.1	0	0	0	0	113.5	C43 Q45 V46 F65 R66	C43-T48 WeakPolarHBondContact CB-OG1 3.45Å; Q45-T48 HydrophobicContact CB-CG2 3.57Å; Q45-T48 WeakPolarHBondContact O-CB 3.41Å; Q45-T48 PolarHBondContact O-N 3.36Å; Q45-T48 PolarHBondContact O-OG1 3.41Å; V46-T48 PolarHBondContact O-N 3.22Å; T48-F65 CarbonylContact C-O 3.6Å; T48-F65 WeakPolarHBondContact CA-O 3.49Å; T48-F65 WeakPolarHBondContact CB-O 3.41Å; T48-R66 HydrophobicContact CG2-CB 3.79Å; T48-R66 HydrophobicContact CG2-CG 3.82Å
49	F	95.6	Very high	87.3	Confident	12 Å²	12	84.1 Å²	84.1	5%	0.053	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.3	174.2	60.8	-83.3	0	0	0	110.9	C43 V51 F65 Y67 N166	C43-F49 VanDerWaalsContact SG-C 3.53Å; F49-V51 HydrophobicContact CD2-CG2 3.88Å; F49-V51 HydrophobicContact CE2-CG2 3.71Å; F49-F65 HydrophobicContact CD1-CB 4.34Å; F49-F65 HydrophobicContact CD2-CB 4.41Å; F49-F65 HydrophobicContact CE1-CB 3.74Å; F49-F65 HydrophobicContact CE2-CB 3.84Å; F49-F65 AromaticContact CE2-CD2 3.94Å; F49-F65 HydrophobicContact CE2-CD2 3.94Å; F49-F65 HydrophobicContact CE2-CG 4.41Å; F49-F65 HydrophobicContact CZ-CB 3.47Å; F49-F65 VanDerWaalsContact CZ-CB 3.47Å; F49-F65 HydrophobicContact CZ-CD2 4.07Å; F49-F65 HydrophobicContact CZ-CG 4.3Å; F49-F65 PolarHBondContact N-O 2.98Å; F49-F65 PolarHBondContact O-N 2.75Å; F49-Y67 HydrophobicContact CD1-CD2 4.38Å; F49-Y67 HydrophobicContact CD1-CE1 4.15Å; F49-Y67 AromaticContact CD1-CE2 3.68Å; F49-Y67 HydrophobicContact CD1-CE2 3.68Å; F49-Y67 AromaticContact CD1-CZ 3.57Å; F49-Y67 HydrophobicContact CE1-CD1 4.14Å; F49-Y67 HydrophobicContact CE1-CD2 4.46Å; F49-Y67 AromaticContact CE1-CE1 3.55Å; F49-Y67 HydrophobicContact CE1-CE1 3.55Å; F49-Y67 AromaticContact CE1-CE2 3.92Å; F49-Y67 HydrophobicContact CE1-CE2 3.92Å; F49-Y67 AromaticContact CE1-CZ 3.44Å; F49-Y67 VanDerWaalsContact CE1-CZ 3.44Å; F49-Y67 HydrophobicContact CZ-CE1 4.31Å; F49-N166 WeakPolarHBondContact CB-ND2 3.41Å; F49-N166 WeakPolarHBondContact CD1-ND2 3.32Å; F49-N166 HydrophobicContact CD2-CB 4.12Å; F49-N166 VanDerWaalsContact CD2-ND2 3.26Å; F49-N166 WeakPolarHBondContact CD2-ND2 3.24Å; F49-N166 HydrophobicContact CE2-CB 4.02Å; F49-N166 WeakPolarHBondContact CG-ND2 3Å
50	P	96	Very high	89.4	Confident	71 Å²	71	78.8 Å²	78.8	46%	0.461	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	141.1	-178.3	31.7	-34.5	0	0	0	111.5	I41 C43	I41-P50 HydrophobicContact CB-CB 3.82Å; I41-P50 HydrophobicContact CD1-CB 4.17Å; I41-P50 HydrophobicContact CG2-CB 3.96Å; C43-P50 VanDerWaalsContact SG-CA 3.6Å; C43-P50 VanDerWaalsContact SG-N 3.44Å
51	V	96.3	Very high	91.4	Very high	7 Å²	7	68.6 Å²	68.6	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.5	168.8	178.9	0	0	0	0	108.6	F49 L53 S63 F65 I162 V262	F49-V51 HydrophobicContact CD2-CG2 3.88Å; F49-V51 HydrophobicContact CE2-CG2 3.71Å; V51-L53 HydrophobicContact CG1-CD2 3.67Å; V51-L53 HydrophobicContact CG1-CG 4.06Å; V51-S63 PolarHBondContact N-O 3.03Å; V51-S63 PolarHBondContact O-N 2.95Å; V51-F65 HydrophobicContact CB-CD2 4.11Å; V51-F65 HydrophobicContact CB-CE2 3.92Å; V51-F65 HydrophobicContact CG1-CE2 4.11Å; V51-F65 HydrophobicContact CG2-CD2 3.49Å; V51-F65 VanDerWaalsContact CG2-CD2 3.49Å; V51-F65 HydrophobicContact CG2-CE2 3.72Å; V51-F65 HydrophobicContact CG2-CG 4.39Å; V51-I162 HydrophobicContact CG1-CG2 4.26Å; V51-I162 HydrophobicContact CG2-CG2 4.08Å; V51-V262 HydrophobicContact CG1-CG1 4.29Å
52	K	96.6	Very high	92.9	Very high	94 Å²	94	67 Å²	67	41%	0.409	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.4	176.8	-174.5	172.2	-179.6	170.4	0	108.6	T60 V61 K263	K52-T60 HydrophobicContact CD-CG2 3.83Å; K52-T60 HydrophobicContact CG-CG2 3.28Å; K52-V61 CarbonylContact C-O 3.47Å; K52-V61 WeakPolarHBondContact CA-O 3.48Å; K52-K263 HydrophobicContact CB-CB 4.31Å; K52-K263 HydrophobicContact CG-CB 4.47Å; K52-K263 WeakPolarHBondContact O-CA 3.42Å
53	L	97.1	Very high	93.7	Very high	3 Å²	3	60 Å²	60	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.4	-179	-58.8	178.8	0	0	0	110	V51 Y55 T60 V61 L159 I162 V262 F267	V51-L53 HydrophobicContact CG1-CD2 3.67Å; V51-L53 HydrophobicContact CG1-CG 4.06Å; L53-Y55 HydrophobicContact CB-CE2 3.95Å; L53-T60 CarbonylContact O-C 3.58Å; L53-T60 WeakPolarHBondContact O-CA 3.37Å; L53-T60 WeakPolarHBondContact O-CG2 3.47Å; L53-V61 PolarHBondContact N-O 3.19Å; L53-V61 PolarHBondContact O-N 2.94Å; L53-L159 HydrophobicContact CD1-CD2 3.71Å; L53-L159 HydrophobicContact CD2-CD2 4.31Å; L53-I162 HydrophobicContact CD2-CD1 4Å; L53-V262 HydrophobicContact CD2-CG1 3.94Å; L53-F267 HydrophobicContact CD1-CD2 4.35Å; L53-F267 HydrophobicContact CD1-CE2 4.48Å; L53-F267 HydrophobicContact CD2-CD2 3.86Å; L53-F267 HydrophobicContact CD2-CE2 4.31Å
54	L	97.2	Very high	94.1	Very high	30 Å²	30	61 Å²	61	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.2	169.3	176.1	62.9	0	0	0	108.9	P266 F267	L54-P266 HydrophobicContact CD2-CG 4.34Å; L54-P266 CarbonylContact O-C 3.57Å; L54-P266 VanDerWaalsContact O-CA 3.32Å; L54-P266 WeakPolarHBondContact O-CA 3.42Å; L54-F267 WeakPolarHBondContact O-CB 3.41Å; L54-F267 PolarHBondContact O-N 2.87Å
55	Y	96.1	Very high	94.6	Very high	56 Å²	56	55.4 Å²	55.4	22%	0.22	30%	0.295	C	S	.	.			trans	-107.4	159.2	171.2	-69.7	-96.9	0	0	0	110.2	L53 S57 N58 K59 V61 F267	L53-Y55 HydrophobicContact CB-CE2 3.95Å; Y55-S57 PolarHBondContact O-N 3.1Å; Y55-N58 WeakPolarHBondContact O-CA 3.47Å; Y55-N58 PolarHBondContact O-N 3.08Å; Y55-K59 WeakPolarHBondContact CB-O 3.41Å; Y55-K59 PolarHBondContact N-O 2.87Å; Y55-V61 HydrophobicContact CD2-CG2 4.07Å; Y55-V61 HydrophobicContact CE2-CB 3.86Å; Y55-V61 HydrophobicContact CE2-CG2 3.52Å; Y55-F267 HydrophobicContact CE1-CB 4.46Å; Y55-F267 HydrophobicContact CE1-CD1 4.01Å
56	R	93.5	Very high	95.1	Very high	79 Å²	79	53.1 Å²	53.1	30%	0.298	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.7	179.1	-80.2	-166.9	169	-104.8	8	114.5	N58 E232 E233 N235 P266	R56-N58 PolarHBondContact O-N 3.46Å; R56-N58 VanDerWaalsContact O-N 3.08Å; R56-E232 WeakPolarHBondContact CB-O 3.13Å; R56-E232 WeakPolarHBondContact CD-O 3.49Å; R56-E233 WeakPolarHBondContact CD-O 3.44Å; R56-E233 PolarHBondContact NE-O 2.9Å; R56-E233 VanDerWaalsContact NE-O 3.1Å; R56-N235 PolarHBondContact NH1-ND2 2.83Å; R56-N235 PolarHBondContact NH1-OD1 3.21Å; R56-N235 PolarHBondContact NH2-OD1 3.44Å; R56-P266 HydrophobicContact CG-CB 3.59Å; R56-P266 HydrophobicContact CG-CG 4.23Å
57	S	93.1	Very high	95.4	Very high	92 Å²	92	48 Å²	48	64%	0.643	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	5.6	170.7	56.9	0	0	0	0	113.6	Y55 K59	Y55-S57 PolarHBondContact O-N 3.1Å; S57-K59 PolarHBondContact O-N 3.12Å; S57-K59 VanDerWaalsContact O-N 3.07Å; S57-K59 WeakPolarHBondContact OG-CB 2.8Å; S57-K59 PolarHBondContact OG-N 3.4Å
58	N	92.7	Very high	95.5	Very high	136 Å²	136	46.8 Å²	46.8	73%	0.727	25%	0.247	S	C	*	.	S	Bend	trans	60.3	4.7	-167.2	-63.4	-35	0	0	0	114.3	Y55 R56 T60	Y55-N58 WeakPolarHBondContact O-CA 3.47Å; Y55-N58 PolarHBondContact O-N 3.08Å; R56-N58 PolarHBondContact O-N 3.46Å; R56-N58 VanDerWaalsContact O-N 3.08Å; N58-T60 PolarHBondContact O-N 3.33Å
59	K	94.4	Very high	95.6	Very high	96 Å²	96	46.1 Å²	46.1	42%	0.417	24%	0.243	S	C	.	.			trans	-63.4	134.5	167.5	-175.6	177.3	-178.7	177.5	0	108.4	Y55 S57 V61	Y55-K59 WeakPolarHBondContact CB-O 3.41Å; Y55-K59 PolarHBondContact N-O 2.87Å; S57-K59 PolarHBondContact O-N 3.12Å; S57-K59 VanDerWaalsContact O-N 3.07Å; S57-K59 WeakPolarHBondContact OG-CB 2.8Å; S57-K59 PolarHBondContact OG-N 3.4Å; K59-V61 HydrophobicContact CG-CG2 4.49Å
60	T	95.3	Very high	95.7	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.344	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.5	170.3	-57.4	0	0	0	0	109.8	K52 L53 N58	K52-T60 HydrophobicContact CD-CG2 3.83Å; K52-T60 HydrophobicContact CG-CG2 3.28Å; L53-T60 CarbonylContact O-C 3.58Å; L53-T60 WeakPolarHBondContact O-CA 3.37Å; L53-T60 WeakPolarHBondContact O-CG2 3.47Å; N58-T60 PolarHBondContact O-N 3.33Å
61	V	94.8	Very high	95.8	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	175.2	175.4	0	0	0	0	108.9	P31 K52 L53 Y55 K59	P31-V61 HydrophobicContact CB-CG1 3.45Å; P31-V61 VanDerWaalsContact CB-CG1 3.45Å; P31-V61 HydrophobicContact CG-CB 4.36Å; P31-V61 HydrophobicContact CG-CG1 3.7Å; P31-V61 HydrophobicContact CG-CG2 3.96Å; K52-V61 CarbonylContact C-O 3.47Å; K52-V61 WeakPolarHBondContact CA-O 3.48Å; L53-V61 PolarHBondContact N-O 3.19Å; L53-V61 PolarHBondContact O-N 2.94Å; Y55-V61 HydrophobicContact CD2-CG2 4.07Å; Y55-V61 HydrophobicContact CE2-CB 3.86Å; Y55-V61 HydrophobicContact CE2-CG2 3.52Å; K59-V61 HydrophobicContact CG-CG2 4.49Å
62	S	94.2	Very high	95.8	Very high	19 Å²	19	49.5 Å²	49.5	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.1	177.6	-70	0	0	0	0	108.7	I41	I41-S62 WeakPolarHBondContact CD1-OG 3.28Å
63	S	93.5	Very high	95.8	Very high	20 Å²	20	46.8 Å²	46.8	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.1	179.4	-63.1	0	0	0	0	111.3	V51	V51-S63 PolarHBondContact N-O 3.03Å; V51-S63 PolarHBondContact O-N 2.95Å
64	C	95.5	Very high	95.8	Very high	53 Å²	53	46.7 Å²	46.7	36%	0.358	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.1	171	-73	0	0	0	0	109.2	C43	C43-C64 WeakPolarHBondContact CA-SG 3.49Å; C43-C64 HydrophobicContact CB-CB 3.81Å; C43-C64 WeakPolarHBondContact CB-SG 3.45Å; C43-C64 VanDerWaalsContact SG-CA 3.57Å; C43-C64 WeakPolarHBondContact SG-CB 3.46Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 3.35Å
65	F	96.7	Very high	95.9	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	151.6	171.1	-65.9	-27.2	0	0	0	110.2	T48 F49 V51 N149 F150 L159	T48-F65 CarbonylContact C-O 3.6Å; T48-F65 WeakPolarHBondContact CA-O 3.49Å; T48-F65 WeakPolarHBondContact CB-O 3.41Å; F49-F65 HydrophobicContact CD1-CB 4.34Å; F49-F65 HydrophobicContact CD2-CB 4.41Å; F49-F65 HydrophobicContact CE1-CB 3.74Å; F49-F65 HydrophobicContact CE2-CB 3.84Å; F49-F65 AromaticContact CE2-CD2 3.94Å; F49-F65 HydrophobicContact CE2-CD2 3.94Å; F49-F65 HydrophobicContact CE2-CG 4.41Å; F49-F65 HydrophobicContact CZ-CB 3.47Å; F49-F65 VanDerWaalsContact CZ-CB 3.47Å; F49-F65 HydrophobicContact CZ-CD2 4.07Å; F49-F65 HydrophobicContact CZ-CG 4.3Å; F49-F65 PolarHBondContact N-O 2.98Å; F49-F65 PolarHBondContact O-N 2.75Å; V51-F65 HydrophobicContact CB-CD2 4.11Å; V51-F65 HydrophobicContact CB-CE2 3.92Å; V51-F65 HydrophobicContact CG1-CE2 4.11Å; V51-F65 HydrophobicContact CG2-CD2 3.49Å; V51-F65 VanDerWaalsContact CG2-CD2 3.49Å; V51-F65 HydrophobicContact CG2-CE2 3.72Å; V51-F65 HydrophobicContact CG2-CG 4.39Å; F65-N149 WeakPolarHBondContact CA-OD1 3.34Å; F65-F150 HydrophobicContact CD1-CD1 4.14Å; F65-F150 HydrophobicContact CD2-CE1 4.4Å; F65-F150 HydrophobicContact CE1-CD1 4.17Å; F65-F150 HydrophobicContact CG-CD1 4.39Å; F65-F150 HydrophobicContact CG-CE1 4.49Å; F65-F150 HydrophobicContact CZ-CD1 4.43Å; F65-L159 HydrophobicContact CE2-CB 4.32Å; F65-L159 HydrophobicContact CE2-CD2 4.28Å; F65-L159 HydrophobicContact CZ-CB 4.32Å; F65-L159 HydrophobicContact CZ-CD1 4.11Å; F65-L159 HydrophobicContact CZ-CD2 4.03Å; F65-L159 HydrophobicContact CZ-CG 4.38Å
66	R	96.8	Very high	95.9	Very high	77 Å²	77	47.3 Å²	47.3	29%	0.291	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.5	-175.8	-171.3	171	58	80.4	2.2	110.1	H47 T48 V68 F148 N149	H47-R66 WeakPolarHBondContact O-CA 3.39Å; T48-R66 HydrophobicContact CG2-CB 3.79Å; T48-R66 HydrophobicContact CG2-CG 3.82Å; R66-V68 PolarHBondContact O-N 3.37Å; R66-F148 WeakPolarHBondContact O-CA 3.44Å; R66-N149 HydrophobicContact CB-CB 4.07Å; R66-N149 PolarHBondContact N-OD1 3.38Å; R66-N149 PolarHBondContact O-N 2.9Å; R66-N149 VanDerWaalsContact O-N 3.15Å
67	Y	97.8	Very high	96.1	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	113.1	164.8	-48	-72.3	0	0	0	109.3	H47 F49 L70 V146 Q147 F148 N166 W167 Y171	H47-Y67 HydrophobicContact CB-CD2 4.08Å; H47-Y67 WeakPolarHBondContact O-CD2 3.32Å; H47-Y67 PolarHBondContact O-N 2.97Å; F49-Y67 HydrophobicContact CD1-CD2 4.38Å; F49-Y67 HydrophobicContact CD1-CE1 4.15Å; F49-Y67 AromaticContact CD1-CE2 3.68Å; F49-Y67 HydrophobicContact CD1-CE2 3.68Å; F49-Y67 AromaticContact CD1-CZ 3.57Å; F49-Y67 HydrophobicContact CE1-CD1 4.14Å; F49-Y67 HydrophobicContact CE1-CD2 4.46Å; F49-Y67 AromaticContact CE1-CE1 3.55Å; F49-Y67 HydrophobicContact CE1-CE1 3.55Å; F49-Y67 AromaticContact CE1-CE2 3.92Å; F49-Y67 HydrophobicContact CE1-CE2 3.92Å; F49-Y67 AromaticContact CE1-CZ 3.44Å; F49-Y67 VanDerWaalsContact CE1-CZ 3.44Å; F49-Y67 HydrophobicContact CZ-CE1 4.31Å; Y67-L70 HydrophobicContact CD2-CD2 3.8Å; Y67-L70 HydrophobicContact CG-CD2 3.97Å; Y67-V146 HydrophobicContact CD1-CG1 3.95Å; Y67-V146 HydrophobicContact CE1-CG1 4.47Å; Y67-Q147 CarbonylContact C-O 3.5Å; Y67-Q147 WeakPolarHBondContact CA-O 3.46Å; Y67-F148 AromaticContact CD1-CD1 3.8Å; Y67-F148 HydrophobicContact CD1-CD1 3.8Å; Y67-F148 AromaticContact CD1-CE1 3.69Å; Y67-F148 HydrophobicContact CD1-CE1 3.69Å; Y67-F148 HydrophobicContact CE1-CD1 4.09Å; Y67-F148 AromaticContact CE1-CE1 3.69Å; Y67-F148 HydrophobicContact CE1-CE1 3.69Å; Y67-N166 PolarHBondContact OH-ND2 3.35Å; Y67-W167 HydrophobicContact CE1-CB 3.85Å; Y67-W167 HydrophobicContact CE1-CG 4.39Å; Y67-W167 WeakPolarHBondContact OH-CA 3.22Å; Y67-W167 PolarHBondContact OH-N 2.65Å; Y67-Y171 HydrophobicContact CD2-CE2 4.27Å; Y67-Y171 AromaticContact CE2-CE2 3.79Å; Y67-Y171 HydrophobicContact CE2-CE2 3.79Å
68	V	97.1	Very high	96.3	Very high	38 Å²	38	48.8 Å²	48.8	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-46.4	179.2	-177.8	0	0	0	0	110.3	R66 E124 Q147 N149	R66-V68 PolarHBondContact O-N 3.37Å; V68-E124 WeakPolarHBondContact CG2-OE1 3.12Å; V68-Q147 HydrophobicContact CB-CB 4.06Å; V68-Q147 HydrophobicContact CB-CG 3.84Å; V68-Q147 HydrophobicContact CG1-CG 4.4Å; V68-Q147 HydrophobicContact CG2-CG 4.27Å; V68-Q147 PolarHBondContact N-O 3.03Å; V68-N149 HydrophobicContact CG2-CB 3.92Å
69	L	98	Very high	96.5	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	172.1	-58.3	176.9	0	0	0	108.1	L135 W139 V146 Q147	L69-L135 HydrophobicContact CD1-CD2 4.01Å; L69-L135 HydrophobicContact CD1-CG 4.13Å; L69-W139 HydrophobicContact CB-CD2 4.25Å; L69-W139 HydrophobicContact CB-CG 4.04Å; L69-W139 HydrophobicContact CD1-CB 3.91Å; L69-W139 HydrophobicContact CD1-CG 4.09Å; L69-W139 HydrophobicContact CD2-CD2 4.22Å; L69-W139 HydrophobicContact CD2-CE3 4.28Å; L69-W139 HydrophobicContact CD2-CG 4.45Å; L69-W139 HydrophobicContact CG-CG 4.41Å; L69-V146 WeakPolarHBondContact O-CA 3.48Å; L69-Q147 HydrophobicContact CB-CB 3.81Å; L69-Q147 HydrophobicContact CD1-CB 4.2Å; L69-Q147 VanDerWaalsContact CD1-OE1 3.27Å; L69-Q147 HydrophobicContact CG-CB 3.97Å; L69-Q147 VanDerWaalsContact CG-OE1 3.29Å; L69-Q147 PolarHBondContact O-N 2.87Å
70	L	97.7	Very high	96.6	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.099	21%	0.214	C	C	.	.			trans	-160.5	131.1	-172.1	173.3	64.3	0	0	0	110.3	H47 Y67 E72 W139 V146 W167 Y171	H47-L70 HydrophobicContact CB-CD2 4.37Å; Y67-L70 HydrophobicContact CD2-CD2 3.8Å; Y67-L70 HydrophobicContact CG-CD2 3.97Å; L70-E72 HydrophobicContact CD2-CG 3.89Å; L70-E72 HydrophobicContact CG-CG 4.14Å; L70-W139 WeakPolarHBondContact O-CZ2 3.45Å; L70-V146 HydrophobicContact CD1-CG2 4.48Å; L70-W167 VanDerWaalsContact CD1-NE1 3.27Å; L70-Y171 HydrophobicContact CD1-CD2 4.07Å; L70-Y171 HydrophobicContact CD1-CE2 3.88Å; L70-Y171 HydrophobicContact CD2-CE1 4.41Å; L70-Y171 HydrophobicContact CD2-CE2 3.87Å; L70-Y171 WeakPolarHBondContact CD2-OH 3.38Å
71	R	97.5	Very high	96.7	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.185	23%	0.225	C	C	.	.			trans	-100.6	106.5	160.9	-180	169.2	175.7	165.1	2.4	108.7	D73 F74 E143	R71-D73 VanDerWaalsContact C-N 3.3Å; R71-D73 WeakPolarHBondContact CG-OD1 3.49Å; R71-D73 IonicContact CZ-OD1 3Å; R71-D73 IonicContact NE-OD1 3.78Å; R71-D73 PolarHBondContact NE-OD1 2.88Å; R71-D73 IonicContact NH2-OD1 3.75Å; R71-D73 PolarHBondContact O-N 3.25Å; R71-F74 HydrophobicContact CB-CB 4.4Å; R71-F74 HydrophobicContact CB-CD2 4.48Å; R71-F74 HydrophobicContact CG-CB 4.36Å; R71-F74 WeakPolarHBondContact O-CB 3.43Å; R71-F74 PolarHBondContact O-N 3.34Å; R71-E143 IonicContact CZ-OE1 2.73Å; R71-E143 IonicContact CZ-OE2 3.89Å; R71-E143 IonicContact NE-OE1 3.42Å; R71-E143 VanDerWaalsContact NH1-CD 3.26Å; R71-E143 IonicContact NH1-OE1 3.53Å; R71-E143 PolarHBondContact NH1-OE1 2.79Å; R71-E143 IonicContact NH1-OE2 3.53Å; R71-E143 PolarHBondContact NH1-OE2 3.15Å
72	E	96.2	Very high	96.9	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.5	-174	-60.7	-146.4	114.8	0	0	113	H47 L70 F74 Q76 Y171	H47-E72 IonicContact CD2-OE1 3.07Å; H47-E72 PolarHBondContact CD2-OE1 3.09Å; H47-E72 IonicContact NE2-OE1 3.19Å; H47-E72 PolarHBondContact NE2-OE1 3.46Å; L70-E72 HydrophobicContact CD2-CG 3.89Å; L70-E72 HydrophobicContact CG-CG 4.14Å; E72-F74 VanDerWaalsContact C-N 3.28Å; E72-F74 PolarHBondContact O-N 3Å; E72-Q76 PolarHBondContact O-OE1 3.15Å; E72-Y171 HydrophobicContact CB-CD1 4.36Å; E72-Y171 HydrophobicContact CB-CE1 3.87Å; E72-Y171 HydrophobicContact CG-CE1 4.1Å; E72-Y171 WeakPolarHBondContact O-CD1 3.26Å; E72-Y171 PolarHBondContact OE1-OH 2.91Å
73	D	97	Very high	97	Very high	37 Å²	37	45.5 Å²	45.5	20%	0.198	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	23.3	-178	68.1	8.3	0	0	0	113.5	R71 C75 Q76 K77 K78	R71-D73 VanDerWaalsContact C-N 3.3Å; R71-D73 WeakPolarHBondContact CG-OD1 3.49Å; R71-D73 IonicContact CZ-OD1 3Å; R71-D73 IonicContact NE-OD1 3.78Å; R71-D73 PolarHBondContact NE-OD1 2.88Å; R71-D73 IonicContact NH2-OD1 3.75Å; R71-D73 PolarHBondContact O-N 3.25Å; D73-C75 PolarHBondContact O-N 3Å; D73-Q76 VanDerWaalsContact C-OE1 3.27Å; D73-Q76 VanDerWaalsContact CA-OE1 3.32Å; D73-Q76 HydrophobicContact CB-CB 4.42Å; D73-Q76 PolarHBondContact O-N 3.16Å; D73-K77 HydrophobicContact CB-CB 4.13Å; D73-K77 HydrophobicContact CB-CD 4.33Å; D73-K77 HydrophobicContact CB-CG 3.98Å; D73-K77 PolarHBondContact O-N 3.24Å; D73-K77 WeakPolarHBondContact OD2-CD 3.49Å; D73-K77 VanDerWaalsContact OD2-CE 3.26Å; D73-K77 WeakPolarHBondContact OD2-CE 3.32Å; D73-K77 IonicContact OD2-NZ 3.83Å; D73-K77 PolarHBondContact OD2-NZ 2.97Å; D73-K78 PolarHBondContact O-N 3.16Å
74	F	98	Very high	97.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	22%	0.215	C	C	.	.	I	π-helix	trans	-56	-51.6	-173	-173.4	-91.2	0	0	0	112.4	R71 E72 K78 Y79 I85 A117 V118 V119 E143 D144 W167	R71-F74 HydrophobicContact CB-CB 4.4Å; R71-F74 HydrophobicContact CB-CD2 4.48Å; R71-F74 HydrophobicContact CG-CB 4.36Å; R71-F74 WeakPolarHBondContact O-CB 3.43Å; R71-F74 PolarHBondContact O-N 3.34Å; E72-F74 VanDerWaalsContact C-N 3.28Å; E72-F74 PolarHBondContact O-N 3Å; F74-K78 HydrophobicContact CD2-CD 4.18Å; F74-K78 HydrophobicContact CE2-CD 4.16Å; F74-K78 VanDerWaalsContact O-CB 3.22Å; F74-K78 WeakPolarHBondContact O-CB 3.31Å; F74-K78 PolarHBondContact O-N 3.48Å; F74-Y79 AromaticContact CD1-CD2 3.86Å; F74-Y79 HydrophobicContact CD1-CD2 3.86Å; F74-Y79 HydrophobicContact CD1-CE2 4.37Å; F74-Y79 HydrophobicContact CD2-CD2 4.48Å; F74-Y79 HydrophobicContact CD2-CE2 4.36Å; F74-Y79 AromaticContact CE1-CD2 3.45Å; F74-Y79 HydrophobicContact CE1-CD2 3.45Å; F74-Y79 VanDerWaalsContact CE1-CD2 3.45Å; F74-Y79 AromaticContact CE1-CE2 3.68Å; F74-Y79 HydrophobicContact CE1-CE2 3.68Å; F74-Y79 HydrophobicContact CE2-CD2 4.13Å; F74-Y79 AromaticContact CE2-CE2 3.67Å; F74-Y79 HydrophobicContact CE2-CE2 3.67Å; F74-Y79 HydrophobicContact CG-CD2 4.36Å; F74-Y79 AromaticContact CZ-CD2 3.62Å; F74-Y79 HydrophobicContact CZ-CD2 3.62Å; F74-Y79 AromaticContact CZ-CE2 3.3Å; F74-Y79 HydrophobicContact CZ-CE2 3.3Å; F74-Y79 PolarHBondContact O-N 3.42Å; F74-I85 HydrophobicContact CE1-CD1 3.85Å; F74-A117 HydrophobicContact CE1-CB 4.31Å; F74-V118 WeakPolarHBondContact CZ-O 3.35Å; F74-V119 HydrophobicContact CZ-CB 4.37Å; F74-E143 WeakPolarHBondContact CD2-O 3.1Å; F74-E143 WeakPolarHBondContact CE2-O 3.29Å; F74-D144 HydrophobicContact CE2-CB 4.18Å; F74-W167 HydrophobicContact CB-CZ2 4.24Å; F74-W167 AromaticContact CD1-CH2 3.85Å; F74-W167 HydrophobicContact CD1-CH2 3.85Å; F74-W167 AromaticContact CD1-CZ2 3.94Å; F74-W167 HydrophobicContact CD1-CZ2 3.94Å; F74-W167 HydrophobicContact CE1-CH2 4.13Å; F74-W167 HydrophobicContact CG-CH2 4.49Å; F74-W167 HydrophobicContact CG-CZ2 4.14Å
75	C	98.1	Very high	97.4	Very high	9 Å²	9	42 Å²	42	6%	0.061	20%	0.198	C	C	.	.	I	π-helix	trans	-92	-5	176.9	-67	0	0	0	0	113.8	D73 Y79 P80 I82 Y171 C172	D73-C75 PolarHBondContact O-N 3Å; C75-Y79 CarbonylContact O-C 3.57Å; C75-Y79 VanDerWaalsContact O-C 3.3Å; C75-P80 VanDerWaalsContact O-CA 3.25Å; C75-P80 WeakPolarHBondContact O-CA 3.43Å; C75-I82 HydrophobicContact CB-CG2 4.07Å; C75-I82 VanDerWaalsContact SG-CD1 3.53Å; C75-Y171 VanDerWaalsContact CB-O 3.28Å; C75-Y171 WeakPolarHBondContact CB-O 3.21Å; C75-C172 HydrophobicContact CB-CB 3.77Å; C75-C172 WeakPolarHBondContact CB-SG 3.45Å; C75-C172 WeakPolarHBondContact SG-CB 3.43Å; C75-C172 CovalentContact SG-SG 2.04Å; C75-C172 PolarHBondContact SG-SG 3.18Å
76	Q	96.8	Very high	97.5	Very high	89 Å²	89	41.7 Å²	41.7	42%	0.416	20%	0.196	S	C	.	.	I	π-helix	trans	-91.4	-45.6	179.2	-64.9	78	0.3	0	0	111.9	E72 D73 Y171	E72-Q76 PolarHBondContact O-OE1 3.15Å; D73-Q76 VanDerWaalsContact C-OE1 3.27Å; D73-Q76 VanDerWaalsContact CA-OE1 3.32Å; D73-Q76 HydrophobicContact CB-CB 4.42Å; D73-Q76 PolarHBondContact O-N 3.16Å; Q76-Y171 PolarHBondContact NE2-O 2.98Å; Q76-Y171 PolarHBondContact OE1-O 2.93Å
77	K	96.8	Very high	97.6	Very high	154 Å²	154	38 Å²	38	67%	0.67	18%	0.183	S	C	*	.	I	π-helix	trans	-106.8	-43.7	-178.9	-68	-163.9	-152.2	137.5	0	113.2	D73	D73-K77 HydrophobicContact CB-CB 4.13Å; D73-K77 HydrophobicContact CB-CD 4.33Å; D73-K77 HydrophobicContact CB-CG 3.98Å; D73-K77 PolarHBondContact O-N 3.24Å; D73-K77 WeakPolarHBondContact OD2-CD 3.49Å; D73-K77 VanDerWaalsContact OD2-CE 3.26Å; D73-K77 WeakPolarHBondContact OD2-CE 3.32Å; D73-K77 IonicContact OD2-NZ 3.83Å; D73-K77 PolarHBondContact OD2-NZ 2.97Å
78	K	96.7	Very high	97.7	Very high	49 Å²	49	37.9 Å²	37.9	21%	0.213	18%	0.182	C	C	.	.	I	π-helix	trans	-76.8	-41.1	-176.9	-162.6	-179	-175.5	160.1	0	111.7	D73 F74 Y142 E143	D73-K78 PolarHBondContact O-N 3.16Å; F74-K78 HydrophobicContact CD2-CD 4.18Å; F74-K78 HydrophobicContact CE2-CD 4.16Å; F74-K78 VanDerWaalsContact O-CB 3.22Å; F74-K78 WeakPolarHBondContact O-CB 3.31Å; F74-K78 PolarHBondContact O-N 3.48Å; K78-Y142 PolarHBondContact NZ-O 2.95Å; K78-E143 PolarHBondContact NZ-O 3.44Å; K78-E143 IonicContact NZ-OE2 3.57Å
79	Y	97.8	Very high	97.7	Very high	26 Å²	26	36.5 Å²	36.5	10%	0.102	17%	0.173	C	C	.	.	S	Bend	trans	-132.5	58.6	-176.8	-56.7	-64	0	0	0	113.8	F74 C75 E81 I82 Y111 A117	F74-Y79 AromaticContact CD1-CD2 3.86Å; F74-Y79 HydrophobicContact CD1-CD2 3.86Å; F74-Y79 HydrophobicContact CD1-CE2 4.37Å; F74-Y79 HydrophobicContact CD2-CD2 4.48Å; F74-Y79 HydrophobicContact CD2-CE2 4.36Å; F74-Y79 AromaticContact CE1-CD2 3.45Å; F74-Y79 HydrophobicContact CE1-CD2 3.45Å; F74-Y79 VanDerWaalsContact CE1-CD2 3.45Å; F74-Y79 AromaticContact CE1-CE2 3.68Å; F74-Y79 HydrophobicContact CE1-CE2 3.68Å; F74-Y79 HydrophobicContact CE2-CD2 4.13Å; F74-Y79 AromaticContact CE2-CE2 3.67Å; F74-Y79 HydrophobicContact CE2-CE2 3.67Å; F74-Y79 HydrophobicContact CG-CD2 4.36Å; F74-Y79 AromaticContact CZ-CD2 3.62Å; F74-Y79 HydrophobicContact CZ-CD2 3.62Å; F74-Y79 AromaticContact CZ-CE2 3.3Å; F74-Y79 HydrophobicContact CZ-CE2 3.3Å; F74-Y79 PolarHBondContact O-N 3.42Å; C75-Y79 CarbonylContact O-C 3.57Å; C75-Y79 VanDerWaalsContact O-C 3.3Å; Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 3.34Å; Y79-I82 WeakPolarHBondContact O-CB 3.47Å; Y79-I82 PolarHBondContact O-N 2.88Å; Y79-Y111 VanDerWaalsContact C-OH 3.24Å; Y79-Y111 WeakPolarHBondContact CA-OH 3.38Å; Y79-Y111 AromaticContact CD1-CD1 3.73Å; Y79-Y111 HydrophobicContact CD1-CD1 3.73Å; Y79-Y111 AromaticContact CD1-CD2 3.32Å; Y79-Y111 HydrophobicContact CD1-CD2 3.32Å; Y79-Y111 AromaticContact CD1-CE1 3.9Å; Y79-Y111 HydrophobicContact CD1-CE1 3.9Å; Y79-Y111 AromaticContact CD1-CE2 3.52Å; Y79-Y111 HydrophobicContact CD1-CE2 3.52Å; Y79-Y111 AromaticContact CD1-CG 3.43Å; Y79-Y111 HydrophobicContact CD1-CG 3.43Å; Y79-Y111 VanDerWaalsContact CD1-CG 3.43Å; Y79-Y111 AromaticContact CD1-CZ 3.8Å; Y79-Y111 HydrophobicContact CE1-CD1 4.08Å; Y79-Y111 HydrophobicContact CE1-CD2 4Å; Y79-Y111 AromaticContact CE1-CG 3.73Å; Y79-Y111 HydrophobicContact CE1-CG 3.73Å; Y79-Y111 HydrophobicContact CG-CD2 4.14Å; Y79-Y111 HydrophobicContact CG-CE2 4.05Å; Y79-A117 HydrophobicContact CD1-CB 3.92Å; Y79-A117 HydrophobicContact CD2-CB 3.61Å; Y79-A117 HydrophobicContact CE1-CB 4.06Å; Y79-A117 HydrophobicContact CE2-CB 3.76Å; Y79-A117 HydrophobicContact CG-CB 3.67Å
80	P	97.3	Very high	97.7	Very high	70 Å²	70	36.3 Å²	36.3	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.4	-173.7	22.7	-34.8	0	0	0	115.3	C75 Y111	C75-P80 VanDerWaalsContact O-CA 3.25Å; C75-P80 WeakPolarHBondContact O-CA 3.43Å; P80-Y111 WeakPolarHBondContact CD-OH 3.3Å
81	E	97.5	Very high	97.7	Very high	123 Å²	123	36.4 Å²	36.4	58%	0.575	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	22.2	-175.8	-61.2	179.5	100.4	0	0	112.2	Y79 F83 Y111 K115	Y79-E81 VanDerWaalsContact C-N 3.26Å; Y79-E81 PolarHBondContact O-N 3.34Å; E81-F83 PolarHBondContact O-N 2.9Å; E81-Y111 PolarHBondContact N-OH 2.9Å; E81-K115 HydrophobicContact CB-CD 3.93Å; E81-K115 VanDerWaalsContact O-CB 3.25Å; E81-K115 WeakPolarHBondContact O-CB 3.36Å; E81-K115 WeakPolarHBondContact O-CG 3.42Å; E81-K115 IonicContact OE1-NZ 2.89Å; E81-K115 IonicContact OE2-NZ 2.74Å; E81-K115 PolarHBondContact OE2-NZ 3.45Å
82	I	97.8	Very high	97.7	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.041	17%	0.171	C	C	.	.			trans	-53.4	128.2	-173.9	-168.4	164.9	0	0	0	112.5	C75 Y79 I85 A117 A175	C75-I82 HydrophobicContact CB-CG2 4.07Å; C75-I82 VanDerWaalsContact SG-CD1 3.53Å; Y79-I82 WeakPolarHBondContact O-CB 3.47Å; Y79-I82 PolarHBondContact O-N 2.88Å; I82-I85 HydrophobicContact CD1-CB 3.66Å; I82-I85 HydrophobicContact CD1-CD1 3.91Å; I82-I85 HydrophobicContact CD1-CG1 4.22Å; I82-A117 HydrophobicContact CD1-CB 3.79Å; I82-A175 HydrophobicContact CG2-CB 4.1Å
83	F	97.2	Very high	97.7	Very high	22 Å²	22	36.2 Å²	36.2	10%	0.096	17%	0.174	C	C	.	.	S	Bend	trans	-100.2	-43.3	174.4	179.3	-130.4	0	0	0	111.2	E81 K115 K176 Y177 M193 F196 R197 K200	E81-F83 PolarHBondContact O-N 2.9Å; F83-K115 HydrophobicContact CB-CB 3.72Å; F83-K115 PolarHBondContact N-O 2.86Å; F83-K176 HydrophobicContact CD2-CB 3.72Å; F83-K176 HydrophobicContact CD2-CG 3.68Å; F83-K176 HydrophobicContact CE2-CB 3.68Å; F83-K176 HydrophobicContact CE2-CG 3.84Å; F83-K176 PolarHBondContact O-N 2.7Å; F83-Y177 AromaticContact CE2-CD2 3.98Å; F83-Y177 HydrophobicContact CE2-CD2 3.98Å; F83-Y177 AromaticContact CE2-CE2 3.81Å; F83-Y177 HydrophobicContact CE2-CE2 3.81Å; F83-Y177 AromaticContact CZ-CD2 3.93Å; F83-Y177 HydrophobicContact CZ-CD2 3.93Å; F83-Y177 AromaticContact CZ-CE2 3.69Å; F83-Y177 HydrophobicContact CZ-CE2 3.69Å; F83-Y177 PolarHBondContact O-N 2.99Å; F83-M193 HydrophobicContact CD1-CE 3.53Å; F83-M193 HydrophobicContact CE1-CE 3.93Å; F83-F196 HydrophobicContact CE1-CB 3.77Å; F83-F196 HydrophobicContact CZ-CB 3.93Å; F83-R197 HydrophobicContact CE1-CG 4.31Å; F83-K200 HydrophobicContact CE2-CD 3.92Å; F83-K200 HydrophobicContact CZ-CB 4.45Å; F83-K200 HydrophobicContact CZ-CD 4.28Å
84	V	98.2	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129	178.9	-177.3	0	0	0	0	109.5	K115 L116 A117 Y177 L179 M193 F196	V84-K115 PolarHBondContact N-O 3.37Å; V84-L116 HydrophobicContact CB-CD1 3.83Å; V84-L116 HydrophobicContact CG1-CD1 3.73Å; V84-L116 WeakPolarHBondContact O-CA 3.36Å; V84-A117 PolarHBondContact O-N 2.7Å; V84-A117 VanDerWaalsContact O-N 3.08Å; V84-Y177 WeakPolarHBondContact CA-O 3.25Å; V84-Y177 HydrophobicContact CG2-CD2 4.47Å; V84-L179 HydrophobicContact CG1-CB 3.99Å; V84-M193 HydrophobicContact CB-CE 4.28Å; V84-M193 HydrophobicContact CB-SD 4.36Å; V84-M193 HydrophobicContact CG2-CE 3.58Å; V84-M193 HydrophobicContact CG2-SD 3.95Å; V84-F196 HydrophobicContact CG1-CD2 4.41Å; V84-F196 HydrophobicContact CG1-CE2 3.84Å; V84-F196 HydrophobicContact CG2-CD2 3.55Å; V84-F196 HydrophobicContact CG2-CE2 3.83Å; V84-F196 HydrophobicContact CG2-CG 4.31Å
85	I	98.6	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.6	168.8	-176.6	55.6	0	0	0	109.4	F74 I82 I87 A117 V119 W167 A175 Y177 I178 L179	F74-I85 HydrophobicContact CE1-CD1 3.85Å; I82-I85 HydrophobicContact CD1-CB 3.66Å; I82-I85 HydrophobicContact CD1-CD1 3.91Å; I82-I85 HydrophobicContact CD1-CG1 4.22Å; I85-I87 HydrophobicContact CG1-CD1 3.78Å; I85-A117 HydrophobicContact CD1-CB 4.29Å; I85-V119 HydrophobicContact CD1-CB 4.47Å; I85-V119 HydrophobicContact CD1-CG1 4.22Å; I85-W167 HydrophobicContact CD1-CH2 4.13Å; I85-W167 HydrophobicContact CD1-CZ3 4.28Å; I85-W167 HydrophobicContact CG1-CH2 4.18Å; I85-W167 HydrophobicContact CG1-CZ3 3.86Å; I85-A175 HydrophobicContact CB-CB 4.48Å; I85-A175 HydrophobicContact CG2-CB 3.95Å; I85-Y177 PolarHBondContact N-O 2.85Å; I85-I178 HydrophobicContact CG2-CB 4.22Å; I85-I178 HydrophobicContact CG2-CG1 3.75Å; I85-I178 HydrophobicContact CG2-CG2 4.24Å; I85-I178 CarbonylContact O-C 3.59Å; I85-I178 WeakPolarHBondContact O-CA 3.36Å; I85-L179 PolarHBondContact O-N 3.29Å
86	A	98.8	Very high	97.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.7	172.2	0	0	0	0	0	109.8	W105 L116 A117 V118 V119 L179	A86-W105 HydrophobicContact CB-CH2 4.44Å; A86-W105 HydrophobicContact CB-CZ3 4.13Å; A86-L116 HydrophobicContact CB-CD1 4.15Å; A86-A117 PolarHBondContact N-O 3.08Å; A86-V118 HydrophobicContact CB-CB 4.27Å; A86-V118 HydrophobicContact CB-CG2 4.18Å; A86-V118 CarbonylContact O-C 3.58Å; A86-V118 WeakPolarHBondContact O-CA 2.99Å; A86-V119 PolarHBondContact O-N 2.98Å; A86-L179 CarbonylContact C-O 3.47Å; A86-L179 VanDerWaalsContact CA-O 3.24Å; A86-L179 WeakPolarHBondContact CA-O 3.37Å; A86-L179 HydrophobicContact CB-CB 4.47Å
87	I	98.9	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111	173.4	-46.9	-62.2	0	0	0	108	I85 V119 A121 W164 W167 I178 L179 K180 V181	I85-I87 HydrophobicContact CG1-CD1 3.78Å; I87-V119 HydrophobicContact CD1-CG1 3.33Å; I87-V119 HydrophobicContact CG1-CG1 4.5Å; I87-V119 HydrophobicContact CG2-CG1 4.48Å; I87-A121 HydrophobicContact CG2-CB 3.87Å; I87-W164 HydrophobicContact CB-CD2 4.39Å; I87-W164 HydrophobicContact CG1-CD2 4.15Å; I87-W164 HydrophobicContact CG1-CE3 3.85Å; I87-W164 HydrophobicContact CG1-CZ3 4.48Å; I87-W164 HydrophobicContact CG2-CB 3.82Å; I87-W164 HydrophobicContact CG2-CD2 4Å; I87-W164 HydrophobicContact CG2-CG 3.63Å; I87-W167 HydrophobicContact CD1-CE3 4.07Å; I87-W167 HydrophobicContact CD1-CZ3 3.7Å; I87-I178 HydrophobicContact CD1-CG2 4.41Å; I87-I178 HydrophobicContact CG1-CG2 3.54Å; I87-L179 PolarHBondContact N-O 2.94Å; I87-K180 WeakPolarHBondContact O-CA 3.43Å; I87-V181 PolarHBondContact O-N 3.3Å
88	V	98.9	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118	178.7	177.6	0	0	0	0	110.2	T90 I101 W105 V118 V119 F120 A121 V181 D183	V88-T90 PolarHBondContact O-N 3.39Å; V88-I101 HydrophobicContact CG1-CD1 3.91Å; V88-W105 HydrophobicContact CG2-CH2 3.59Å; V88-W105 HydrophobicContact CG2-CZ2 3.88Å; V88-V118 HydrophobicContact CG2-CG2 3.7Å; V88-V119 PolarHBondContact N-O 3.27Å; V88-F120 HydrophobicContact CB-CD1 3.6Å; V88-F120 HydrophobicContact CB-CE1 3.94Å; V88-F120 HydrophobicContact CG1-CD1 3.74Å; V88-F120 HydrophobicContact CG1-CE1 3.97Å; V88-F120 HydrophobicContact CG2-CD1 4.21Å; V88-F120 HydrophobicContact CG2-CE1 4.08Å; V88-A121 PolarHBondContact O-N 3.47Å; V88-V181 CarbonylContact C-O 3.49Å; V88-V181 VanDerWaalsContact CA-O 3.24Å; V88-V181 WeakPolarHBondContact CA-O 3.42Å; V88-D183 HydrophobicContact CG1-CB 3.9Å
89	H	98.7	Very high	97.8	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.7	168	-81.3	-138.7	0	0	0	108.9	W164 V181 D183 D271	H89-W164 AromaticContact CD2-NE1 3.98Å; H89-W164 AromaticContact CE1-NE1 3.73Å; H89-W164 AromaticContact NE2-CD1 3.18Å; H89-W164 AromaticContact NE2-NE1 2.92Å; H89-W164 PolarHBondContact NE2-NE1 3.33Å; H89-V181 PolarHBondContact N-O 2.86Å; H89-D183 WeakPolarHBondContact O-CB 3.44Å; H89-D183 PolarHBondContact O-N 3.01Å; H89-D271 IonicContact CE1-OD2 3.43Å
90	T	98.3	Very high	97.8	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.025	18%	0.181	C	C	.	.			trans	-142	155.5	-178.6	175.7	0	0	0	0	109.2	V88 N94 R98 F120 A121 V122 K160 D183	V88-T90 PolarHBondContact O-N 3.39Å; T90-N94 WeakPolarHBondContact OG1-CB 3.45Å; T90-R98 HydrophobicContact CG2-CG 4.01Å; T90-R98 PolarHBondContact OG1-NH1 3.1Å; T90-F120 HydrophobicContact CG2-CB 3.87Å; T90-F120 HydrophobicContact CG2-CD1 4.07Å; T90-F120 HydrophobicContact CG2-CG 4.42Å; T90-A121 PolarHBondContact N-O 3.15Å; T90-V122 HydrophobicContact CG2-CG1 3.56Å; T90-K160 PolarHBondContact O-NZ 2.8Å; T90-K160 VanDerWaalsContact O-NZ 3.13Å; T90-D183 WeakPolarHBondContact CA-OD2 3.27Å; T90-D183 WeakPolarHBondContact CB-OD2 3.01Å; T90-D183 PolarHBondContact OG1-OD2 3.05Å
91	G	97.1	Very high	97.9	Very high	21 Å²	21	34.1 Å²	34.1	22%	0.216	16%	0.16	C	C	.	.			trans	-87	157.5	167.6	0	0	0	0	0	111.5	R93 N94 R98	G91-R93 VanDerWaalsContact C-N 3.26Å; G91-R93 PolarHBondContact O-N 3.22Å; G91-N94 WeakPolarHBondContact O-CB 3.4Å; G91-N94 PolarHBondContact O-N 3.46Å; G91-N94 VanDerWaalsContact O-N 3.09Å; G91-R98 PolarHBondContact O-NH1 3.41Å
92	L	97.2	Very high	97.9	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.6	-176.9	-65.8	77.5	0	0	0	112.2	N94 F95 R98 V122 G123 D125 V131 L135 D152	L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.1Å; L92-F95 WeakPolarHBondContact O-CE2 3.43Å; L92-F95 VanDerWaalsContact O-CZ 3.3Å; L92-F95 WeakPolarHBondContact O-CZ 3.35Å; L92-R98 PolarHBondContact O-NH1 3.02Å; L92-R98 PolarHBondContact O-NH2 3.01Å; L92-V122 HydrophobicContact CG-CB 4.46Å; L92-G123 WeakPolarHBondContact CD1-O 3.38Å; L92-D125 HydrophobicContact CD1-CB 4.47Å; L92-D125 HydrophobicContact CD2-CB 4.01Å; L92-V131 HydrophobicContact CB-CG1 3.55Å; L92-V131 HydrophobicContact CD2-CG1 4.21Å; L92-L135 HydrophobicContact CD2-CD2 4.17Å; L92-L135 HydrophobicContact CG-CD2 4.26Å; L92-D152 HydrophobicContact CD1-CB 3.52Å
93	R	96	Very high	97.9	Very high	130 Å²	130	35.7 Å²	35.7	49%	0.491	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.4	-177.7	-58	-178	-166.9	-168.8	5.6	114.8	G91 F95 D125 H128 V131	G91-R93 VanDerWaalsContact C-N 3.26Å; G91-R93 PolarHBondContact O-N 3.22Å; R93-F95 WeakPolarHBondContact O-CD2 3.22Å; R93-F95 PolarHBondContact O-N 3.4Å; R93-D125 IonicContact CZ-OD2 2.69Å; R93-D125 IonicContact NE-OD2 3.63Å; R93-D125 PolarHBondContact NE-OD2 3.3Å; R93-D125 IonicContact NH2-OD2 2.76Å; R93-D125 PolarHBondContact NH2-OD2 2.96Å; R93-H128 PolarHBondContact NH2-CD2 3.19Å; R93-H128 PolarHBondContact NH2-CE1 2.96Å; R93-H128 PolarHBondContact NH2-ND1 2.74Å; R93-H128 PolarHBondContact NH2-NE2 3.38Å; R93-H128 VanDerWaalsContact NH2-NE2 3.13Å; R93-V131 HydrophobicContact CG-CG1 3.99Å; R93-V131 HydrophobicContact CG-CG2 4.06Å
94	N	96.9	Very high	97.9	Very high	51 Å²	51	34.9 Å²	34.9	27%	0.273	16%	0.161	S	C	.	.			trans	-81.7	36.6	-175.8	-69.1	-13.9	0	0	0	113.2	T90 G91 L92 K96 R97 R98 D183	T90-N94 WeakPolarHBondContact OG1-CB 3.45Å; G91-N94 WeakPolarHBondContact O-CB 3.4Å; G91-N94 PolarHBondContact O-N 3.46Å; G91-N94 VanDerWaalsContact O-N 3.09Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.1Å; N94-K96 VanDerWaalsContact C-N 3.25Å; N94-K96 PolarHBondContact O-N 3.42Å; N94-R97 HydrophobicContact CB-CB 4.14Å; N94-R97 HydrophobicContact CB-CG 4.24Å; N94-R97 WeakPolarHBondContact O-CA 3.37Å; N94-R97 WeakPolarHBondContact O-CB 3.27Å; N94-R97 PolarHBondContact O-N 3.28Å; N94-R98 PolarHBondContact O-N 3.04Å; N94-D183 WeakPolarHBondContact CB-OD2 3.32Å; N94-D183 PolarHBondContact ND2-OD2 2.93Å
95	F	96.9	Very high	97.8	Very high	50 Å²	50	35.1 Å²	35.1	22%	0.219	16%	0.162	C	C	.	.	H	α-helix	trans	-48.1	-45.4	178	-63.9	-82.9	0	0	0	112.6	L92 R93 R97 R98 S99 V131 T134 L135 E138	L92-F95 WeakPolarHBondContact O-CE2 3.43Å; L92-F95 VanDerWaalsContact O-CZ 3.3Å; L92-F95 WeakPolarHBondContact O-CZ 3.35Å; R93-F95 WeakPolarHBondContact O-CD2 3.22Å; R93-F95 PolarHBondContact O-N 3.4Å; F95-R97 VanDerWaalsContact C-N 3.34Å; F95-R97 PolarHBondContact O-N 3.43Å; F95-R98 PolarHBondContact O-N 3.33Å; F95-S99 WeakPolarHBondContact O-CB 3.16Å; F95-S99 PolarHBondContact O-N 3.11Å; F95-V131 HydrophobicContact CE2-CG1 4.27Å; F95-V131 HydrophobicContact CZ-CG1 4.31Å; F95-T134 HydrophobicContact CD1-CG2 4.04Å; F95-T134 HydrophobicContact CD2-CG2 4.49Å; F95-T134 HydrophobicContact CE1-CG2 3.52Å; F95-T134 HydrophobicContact CE2-CG2 3.98Å; F95-T134 HydrophobicContact CZ-CG2 3.5Å; F95-T134 VanDerWaalsContact CZ-CG2 3.5Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE1-CD1 4.3Å; F95-L135 HydrophobicContact CZ-CB 4.37Å; F95-E138 WeakPolarHBondContact CD1-OE2 3.1Å; F95-E138 HydrophobicContact CE1-CB 4.5Å; F95-E138 VanDerWaalsContact CE1-OE2 3.27Å; F95-E138 WeakPolarHBondContact CE1-OE2 3.24Å
96	K	97.2	Very high	97.7	Very high	163 Å²	163	35.5 Å²	35.5	71%	0.709	17%	0.165	S	C	*	.	H	α-helix	trans	-66.8	-33.4	179.4	-64.5	-176.1	-180	178	0	112.6	N94 L100 L317	N94-K96 VanDerWaalsContact C-N 3.25Å; N94-K96 PolarHBondContact O-N 3.42Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.39Å; K96-L317 HydrophobicContact CB-CD1 3.63Å; K96-L317 HydrophobicContact CD-CD1 4.39Å
97	R	98	Very high	97.6	Very high	66 Å²	66	37.9 Å²	37.9	25%	0.249	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-47.7	175.3	-65	-175.3	174.8	-173.4	-0.1	110.4	N94 F95 S99 L100 I101 D183 L317	N94-R97 HydrophobicContact CB-CB 4.14Å; N94-R97 HydrophobicContact CB-CG 4.24Å; N94-R97 WeakPolarHBondContact O-CA 3.37Å; N94-R97 WeakPolarHBondContact O-CB 3.27Å; N94-R97 PolarHBondContact O-N 3.28Å; F95-R97 VanDerWaalsContact C-N 3.34Å; F95-R97 PolarHBondContact O-N 3.43Å; R97-S99 PolarHBondContact O-N 2.99Å; R97-L100 PolarHBondContact O-N 3.25Å; R97-I101 VanDerWaalsContact O-CG1 3.3Å; R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 3.49Å; R97-D183 HydrophobicContact CB-CB 4.3Å; R97-D183 VanDerWaalsContact CD-CG 3.45Å; R97-D183 WeakPolarHBondContact CD-OD1 3.3Å; R97-D183 IonicContact CZ-OD1 2.83Å; R97-D183 IonicContact NE-OD1 3.75Å; R97-D183 IonicContact NH1-OD1 3.52Å; R97-D183 PolarHBondContact NH1-OD1 3Å; R97-L317 HydrophobicContact CG-CD2 3.89Å
98	R	98.3	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-47	174.5	-63.8	-167.6	-71.5	-81.7	7.9	112.2	T90 G91 L92 N94 F95 L100 I101 R102 F120 E138	T90-R98 HydrophobicContact CG2-CG 4.01Å; T90-R98 PolarHBondContact OG1-NH1 3.1Å; G91-R98 PolarHBondContact O-NH1 3.41Å; L92-R98 PolarHBondContact O-NH1 3.02Å; L92-R98 PolarHBondContact O-NH2 3.01Å; N94-R98 PolarHBondContact O-N 3.04Å; F95-R98 PolarHBondContact O-N 3.33Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.99Å; R98-I101 PolarHBondContact O-N 3.44Å; R98-I101 VanDerWaalsContact O-N 3.15Å; R98-R102 WeakPolarHBondContact O-CG 3.41Å; R98-R102 PolarHBondContact O-N 3.16Å; R98-F120 HydrophobicContact CB-CD1 4.07Å; R98-F120 HydrophobicContact CB-CE1 3.82Å; R98-F120 HydrophobicContact CB-CE2 4.31Å; R98-F120 HydrophobicContact CB-CG 4.41Å; R98-F120 HydrophobicContact CB-CZ 3.95Å; R98-F120 HydrophobicContact CG-CB 4.48Å; R98-F120 HydrophobicContact CG-CD1 3.48Å; R98-F120 VanDerWaalsContact CG-CD1 3.48Å; R98-F120 HydrophobicContact CG-CD2 4.43Å; R98-F120 HydrophobicContact CG-CE1 3.71Å; R98-F120 HydrophobicContact CG-CG 3.88Å; R98-F120 HydrophobicContact CG-CZ 4.29Å; R98-E138 IonicContact CZ-OE1 3.91Å; R98-E138 IonicContact CZ-OE2 3.43Å; R98-E138 VanDerWaalsContact CZ-OE2 3.24Å; R98-E138 VanDerWaalsContact NE-CD 3.34Å; R98-E138 IonicContact NE-OE1 3.53Å; R98-E138 PolarHBondContact NE-OE1 3.33Å; R98-E138 IonicContact NE-OE2 2.81Å; R98-E138 PolarHBondContact NE-OE2 3.11Å; R98-E138 IonicContact NH2-OE1 2.8Å; R98-E138 IonicContact NH2-OE2 3.78Å; R98-E138 PolarHBondContact NH2-OE2 2.82Å
99	S	98.2	Very high	97.2	Very high	36 Å²	36	46 Å²	46	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-42.3	175.9	-172.3	0	0	0	0	112.3	F95 R97 R102 K103	F95-S99 WeakPolarHBondContact O-CB 3.16Å; F95-S99 PolarHBondContact O-N 3.11Å; R97-S99 PolarHBondContact O-N 2.99Å; S99-R102 PolarHBondContact O-N 2.8Å; S99-K103 WeakPolarHBondContact O-CG 3.42Å; S99-K103 PolarHBondContact O-N 3.17Å; S99-K103 VanDerWaalsContact O-N 3.15Å
100	L	98.2	Very high	97.1	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.2	-179.7	64.1	0	0	0	111.5	K96 R97 R98 R102 K103 T104 L317 R320 Y321	K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 PolarHBondContact O-N 3.39Å; R97-L100 PolarHBondContact O-N 3.25Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 2.99Å; L100-R102 PolarHBondContact O-N 3.2Å; L100-K103 CarbonylContact O-C 3.58Å; L100-K103 PolarHBondContact O-N 3.01Å; L100-T104 HydrophobicContact CD1-CG2 3.63Å; L100-T104 HydrophobicContact CG-CG2 4.14Å; L100-T104 WeakPolarHBondContact O-CB 3.18Å; L100-T104 VanDerWaalsContact O-CG2 3.28Å; L100-T104 WeakPolarHBondContact O-CG2 3.34Å; L100-T104 PolarHBondContact O-N 3.04Å; L100-T104 PolarHBondContact O-OG1 3.14Å; L100-L317 HydrophobicContact CD2-CB 4.11Å; L100-L317 HydrophobicContact CD2-CD2 3.73Å; L100-R320 HydrophobicContact CD2-CB 3.77Å; L100-Y321 HydrophobicContact CD1-CD2 3.77Å; L100-Y321 HydrophobicContact CD1-CG 4.32Å
101	I	98.5	Very high	97	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-45.9	178.4	-71	169	0	0	0	110.8	V88 R97 R98 K103 T104 W105 A106 F120 D183	V88-I101 HydrophobicContact CG1-CD1 3.91Å; R97-I101 VanDerWaalsContact O-CG1 3.3Å; R97-I101 WeakPolarHBondContact O-CG1 3.39Å; R97-I101 PolarHBondContact O-N 3.49Å; R98-I101 PolarHBondContact O-N 3.44Å; R98-I101 VanDerWaalsContact O-N 3.15Å; I101-K103 VanDerWaalsContact C-N 3.25Å; I101-K103 PolarHBondContact O-N 2.99Å; I101-T104 CarbonylContact O-C 3.48Å; I101-T104 PolarHBondContact O-N 3.49Å; I101-T104 VanDerWaalsContact O-N 3.08Å; I101-T104 PolarHBondContact O-OG1 3.34Å; I101-W105 HydrophobicContact CB-CZ2 4.49Å; I101-W105 HydrophobicContact CD1-CZ2 4.16Å; I101-W105 HydrophobicContact CG1-CZ2 4.15Å; I101-W105 HydrophobicContact CG2-CD2 4.32Å; I101-W105 HydrophobicContact CG2-CH2 4.13Å; I101-W105 HydrophobicContact CG2-CZ2 3.57Å; I101-A106 HydrophobicContact CG2-CB 3.45Å; I101-A106 VanDerWaalsContact CG2-CB 3.45Å; I101-A106 PolarHBondContact O-N 3.04Å; I101-A106 VanDerWaalsContact O-N 3.12Å; I101-F120 HydrophobicContact CB-CE1 4.1Å; I101-F120 HydrophobicContact CB-CZ 4.12Å; I101-F120 HydrophobicContact CD1-CE1 4.11Å; I101-F120 HydrophobicContact CG2-CE1 3.86Å; I101-F120 HydrophobicContact CG2-CZ 3.82Å; I101-D183 HydrophobicContact CD1-CB 4.15Å
102	R	98.3	Very high	96.9	Very high	24 Å²	24	52.9 Å²	52.9	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-30.3	173.7	-66.7	-175.2	-169.9	98.5	-0.2	113.5	R98 S99 L100 N107 F120 E138 D144	R98-R102 WeakPolarHBondContact O-CG 3.41Å; R98-R102 PolarHBondContact O-N 3.16Å; S99-R102 PolarHBondContact O-N 2.8Å; L100-R102 PolarHBondContact O-N 3.2Å; R102-N107 WeakPolarHBondContact O-CA 3.4Å; R102-N107 PolarHBondContact O-ND2 2.81Å; R102-F120 HydrophobicContact CG-CE2 3.96Å; R102-F120 HydrophobicContact CG-CZ 4.03Å; R102-E138 IonicContact CZ-OE1 2.63Å; R102-E138 VanDerWaalsContact CZ-OE1 3.25Å; R102-E138 IonicContact NH1-OE1 3.92Å; R102-E138 PolarHBondContact NH1-OE1 3.08Å; R102-E138 IonicContact NH2-OE1 3.29Å; R102-E138 PolarHBondContact NH2-OE1 3.18Å; R102-D144 IonicContact CZ-OD1 2.72Å; R102-D144 IonicContact CZ-OD2 3.74Å; R102-D144 IonicContact NE-OD1 3.94Å; R102-D144 PolarHBondContact NE-OD1 3.38Å; R102-D144 IonicContact NE-OD2 2.9Å; R102-D144 PolarHBondContact NE-OD2 2.99Å; R102-D144 IonicContact NH2-OD1 3.62Å; R102-D144 PolarHBondContact NH2-OD1 3.19Å; R102-D144 IonicContact NH2-OD2 3.29Å
103	K	97.5	Very high	96.7	Very high	139 Å²	139	56.2 Å²	56.2	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-88.1	-7.7	177.8	-69.2	176.5	-176.5	-179	0	113.5	S99 L100 I101	S99-K103 WeakPolarHBondContact O-CG 3.42Å; S99-K103 PolarHBondContact O-N 3.17Å; S99-K103 VanDerWaalsContact O-N 3.15Å; L100-K103 CarbonylContact O-C 3.58Å; L100-K103 PolarHBondContact O-N 3.01Å; I101-K103 VanDerWaalsContact C-N 3.25Å; I101-K103 PolarHBondContact O-N 2.99Å
104	T	96.9	Very high	96.6	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.037	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-117.6	-172.5	58.8	0	0	0	0	110.9	L100 I101 A106 N107 F110 Y321 W324	L100-T104 HydrophobicContact CD1-CG2 3.63Å; L100-T104 HydrophobicContact CG-CG2 4.14Å; L100-T104 WeakPolarHBondContact O-CB 3.18Å; L100-T104 VanDerWaalsContact O-CG2 3.28Å; L100-T104 WeakPolarHBondContact O-CG2 3.34Å; L100-T104 PolarHBondContact O-N 3.04Å; L100-T104 PolarHBondContact O-OG1 3.14Å; I101-T104 CarbonylContact O-C 3.48Å; I101-T104 PolarHBondContact O-N 3.49Å; I101-T104 VanDerWaalsContact O-N 3.08Å; I101-T104 PolarHBondContact O-OG1 3.34Å; T104-A106 PolarHBondContact O-N 3.28Å; T104-N107 WeakPolarHBondContact O-CB 3.36Å; T104-N107 PolarHBondContact O-N 3.12Å; T104-F110 WeakPolarHBondContact O-CE2 3.38Å; T104-Y321 HydrophobicContact CG2-CD2 3.89Å; T104-Y321 HydrophobicContact CG2-CE2 4.37Å; T104-W324 VanDerWaalsContact C-CE2 3.48Å; T104-W324 VanDerWaalsContact CB-CG 3.47Å; T104-W324 HydrophobicContact CG2-CB 3.84Å; T104-W324 VanDerWaalsContact CG2-CD1 3.47Å; T104-W324 HydrophobicContact CG2-CD2 4.38Å; T104-W324 HydrophobicContact CG2-CG 3.6Å; T104-W324 VanDerWaalsContact O-CZ2 3.31Å; T104-W324 WeakPolarHBondContact O-CZ2 3.45Å
105	W	96.1	Very high	96.6	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.019	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.4	-168.3	65.5	-101.7	0	0	0	113.8	A86 V88 I101 F110 V181 V187 T189 W324	A86-W105 HydrophobicContact CB-CH2 4.44Å; A86-W105 HydrophobicContact CB-CZ3 4.13Å; V88-W105 HydrophobicContact CG2-CH2 3.59Å; V88-W105 HydrophobicContact CG2-CZ2 3.88Å; I101-W105 HydrophobicContact CB-CZ2 4.49Å; I101-W105 HydrophobicContact CD1-CZ2 4.16Å; I101-W105 HydrophobicContact CG1-CZ2 4.15Å; I101-W105 HydrophobicContact CG2-CD2 4.32Å; I101-W105 HydrophobicContact CG2-CH2 4.13Å; I101-W105 HydrophobicContact CG2-CZ2 3.57Å; W105-F110 VanDerWaalsContact O-CD2 3.3Å; W105-F110 WeakPolarHBondContact O-CD2 3.29Å; W105-F110 WeakPolarHBondContact O-CE2 3.36Å; W105-V181 HydrophobicContact CH2-CB 4.25Å; W105-V181 HydrophobicContact CH2-CG1 4.41Å; W105-V181 HydrophobicContact CH2-CG2 4.17Å; W105-V181 HydrophobicContact CZ2-CB 4.49Å; W105-V181 HydrophobicContact CZ2-CG1 4.23Å; W105-V187 HydrophobicContact CB-CB 4.18Å; W105-V187 WeakPolarHBondContact CB-O 3.33Å; W105-V187 HydrophobicContact CD2-CB 3.73Å; W105-V187 HydrophobicContact CD2-CG2 3.84Å; W105-V187 HydrophobicContact CE3-CB 3.8Å; W105-V187 HydrophobicContact CE3-CG1 4.36Å; W105-V187 HydrophobicContact CE3-CG2 3.93Å; W105-V187 HydrophobicContact CG-CB 3.91Å; W105-V187 HydrophobicContact CG-CG2 4.39Å; W105-V187 HydrophobicContact CH2-CG2 4.23Å; W105-V187 HydrophobicContact CZ2-CG2 4.11Å; W105-V187 HydrophobicContact CZ3-CB 4.44Å; W105-V187 HydrophobicContact CZ3-CG2 4.13Å; W105-T189 WeakPolarHBondContact CA-OG1 3.37Å; W105-T189 WeakPolarHBondContact CB-OG1 3.26Å; W105-T189 PolarHBondContact O-OG1 2.67Å; W105-W324 HydrophobicContact CB-CE3 3.93Å; W105-W324 HydrophobicContact CB-CH2 4.23Å; W105-W324 HydrophobicContact CB-CZ3 3.65Å
106	A	97.6	Very high	96.7	Very high	7 Å²	7	48.5 Å²	48.5	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	30.9	177.2	0	0	0	0	0	112.7	I101 T104 V118	I101-A106 HydrophobicContact CG2-CB 3.45Å; I101-A106 VanDerWaalsContact CG2-CB 3.45Å; I101-A106 PolarHBondContact O-N 3.04Å; I101-A106 VanDerWaalsContact O-N 3.12Å; T104-A106 PolarHBondContact O-N 3.28Å; A106-V118 HydrophobicContact CB-CB 3.81Å; A106-V118 HydrophobicContact CB-CG1 3.75Å; A106-V118 HydrophobicContact CB-CG2 3.99Å
107	N	96.8	Very high	96.8	Very high	50 Å²	50	41 Å²	41	27%	0.267	20%	0.197	S	C	.	.			trans	-59.1	138.4	175.7	-173.2	-77.9	0	0	0	112	R102 T104 E109 F110	R102-N107 WeakPolarHBondContact O-CA 3.4Å; R102-N107 PolarHBondContact O-ND2 2.81Å; T104-N107 WeakPolarHBondContact O-CB 3.36Å; T104-N107 PolarHBondContact O-N 3.12Å; N107-E109 PolarHBondContact O-N 3.23Å; N107-E109 VanDerWaalsContact O-N 3.14Å; N107-E109 VanDerWaalsContact OD1-CB 3.25Å; N107-E109 WeakPolarHBondContact OD1-CB 3.32Å; N107-E109 WeakPolarHBondContact OD1-CG 3.46Å; N107-E109 PolarHBondContact OD1-N 2.94Å; N107-F110 HydrophobicContact CB-CD2 3.97Å; N107-F110 HydrophobicContact CB-CE2 4.03Å; N107-F110 VanDerWaalsContact O-CB 3.29Å; N107-F110 WeakPolarHBondContact O-CB 3.37Å; N107-F110 WeakPolarHBondContact O-CD2 3.11Å; N107-F110 PolarHBondContact O-N 2.62Å
108	S	95.1	Very high	96.8	Very high	73 Å²	73	38.2 Å²	38.2	51%	0.51	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.9	-177.1	50.4	0	0	0	0	113.7	F110 Y111	S108-F110 PolarHBondContact O-N 3.2Å; S108-Y111 WeakPolarHBondContact O-CB 3.45Å; S108-Y111 PolarHBondContact O-N 3.12Å
109	E	94.7	Very high	96.8	Very high	99 Å²	99	38.3 Å²	38.3	46%	0.463	19%	0.188	S	C	.	.	H	α-helix	trans	-64.5	-22.9	173.8	-64.1	-55.9	137.6	0	0	112.6	N107 Y111 K112	N107-E109 PolarHBondContact O-N 3.23Å; N107-E109 VanDerWaalsContact O-N 3.14Å; N107-E109 VanDerWaalsContact OD1-CB 3.25Å; N107-E109 WeakPolarHBondContact OD1-CB 3.32Å; N107-E109 WeakPolarHBondContact OD1-CG 3.46Å; N107-E109 PolarHBondContact OD1-N 2.94Å; E109-Y111 PolarHBondContact O-N 2.92Å; E109-K112 PolarHBondContact O-N 3.14Å; E109-K112 IonicContact OE1-NZ 3.25Å; E109-K112 PolarHBondContact OE1-NZ 2.99Å; E109-K112 VanDerWaalsContact OE1-NZ 3.15Å; E109-K112 WeakPolarHBondContact OE2-CD 3.46Å; E109-K112 WeakPolarHBondContact OE2-CE 3.34Å; E109-K112 IonicContact OE2-NZ 2.68Å; E109-K112 PolarHBondContact OE2-NZ 2.81Å
110	F	95.6	Very high	96.8	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-17.4	172.8	-66.1	-45.7	0	0	0	113.4	T104 W105 N107 S108 F114 K115 L116 T189 F190 W324 Y337	T104-F110 WeakPolarHBondContact O-CE2 3.38Å; W105-F110 VanDerWaalsContact O-CD2 3.3Å; W105-F110 WeakPolarHBondContact O-CD2 3.29Å; W105-F110 WeakPolarHBondContact O-CE2 3.36Å; N107-F110 HydrophobicContact CB-CD2 3.97Å; N107-F110 HydrophobicContact CB-CE2 4.03Å; N107-F110 VanDerWaalsContact O-CB 3.29Å; N107-F110 WeakPolarHBondContact O-CB 3.37Å; N107-F110 WeakPolarHBondContact O-CD2 3.11Å; N107-F110 PolarHBondContact O-N 2.62Å; S108-F110 PolarHBondContact O-N 3.2Å; F110-F114 HydrophobicContact CB-CD2 4.08Å; F110-F114 AromaticContact CD1-CD2 3.64Å; F110-F114 HydrophobicContact CD1-CD2 3.64Å; F110-F114 AromaticContact CD1-CE2 3.59Å; F110-F114 HydrophobicContact CD1-CE2 3.59Å; F110-F114 HydrophobicContact CE1-CD2 4.46Å; F110-F114 AromaticContact CE1-CE2 3.99Å; F110-F114 HydrophobicContact CE1-CE2 3.99Å; F110-F114 HydrophobicContact CG-CD2 4.17Å; F110-F114 HydrophobicContact CG-CE2 4.5Å; F110-F114 WeakPolarHBondContact O-CA 3.25Å; F110-F114 WeakPolarHBondContact O-CB 3.39Å; F110-F114 PolarHBondContact O-N 2.74Å; F110-K115 PolarHBondContact O-N 2.89Å; F110-L116 HydrophobicContact CB-CB 4.49Å; F110-L116 HydrophobicContact CB-CD2 4.4Å; F110-T189 HydrophobicContact CD1-CG2 4.37Å; F110-T189 HydrophobicContact CD2-CG2 3.95Å; F110-T189 HydrophobicContact CE2-CG2 4.19Å; F110-T189 HydrophobicContact CG-CG2 4.05Å; F110-F190 AromaticContact CE1-CE1 3.9Å; F110-F190 HydrophobicContact CE1-CE1 3.9Å; F110-F190 AromaticContact CE1-CZ 3.88Å; F110-F190 HydrophobicContact CE1-CZ 3.88Å; F110-F190 HydrophobicContact CZ-CE1 4.41Å; F110-F190 AromaticContact CZ-CZ 3.97Å; F110-F190 HydrophobicContact CZ-CZ 3.97Å; F110-W324 AromaticContact CE2-CH2 3.58Å; F110-W324 HydrophobicContact CE2-CH2 3.58Å; F110-W324 AromaticContact CE2-CZ2 3.68Å; F110-W324 HydrophobicContact CE2-CZ2 3.68Å; F110-W324 AromaticContact CZ-CH2 3.48Å; F110-W324 HydrophobicContact CZ-CH2 3.48Å; F110-W324 VanDerWaalsContact CZ-CH2 3.48Å; F110-W324 AromaticContact CZ-CZ2 3.55Å; F110-W324 HydrophobicContact CZ-CZ2 3.55Å; F110-Y337 HydrophobicContact CE1-CE1 4.39Å
111	Y	96.9	Very high	96.9	Very high	28 Å²	28	35.6 Å²	35.6	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-49.1	169.8	178.3	-107.5	0	0	0	111	Y79 P80 E81 S108 E109 K113 K115 L116	Y79-Y111 VanDerWaalsContact C-OH 3.24Å; Y79-Y111 WeakPolarHBondContact CA-OH 3.38Å; Y79-Y111 AromaticContact CD1-CD1 3.73Å; Y79-Y111 HydrophobicContact CD1-CD1 3.73Å; Y79-Y111 AromaticContact CD1-CD2 3.32Å; Y79-Y111 HydrophobicContact CD1-CD2 3.32Å; Y79-Y111 AromaticContact CD1-CE1 3.9Å; Y79-Y111 HydrophobicContact CD1-CE1 3.9Å; Y79-Y111 AromaticContact CD1-CE2 3.52Å; Y79-Y111 HydrophobicContact CD1-CE2 3.52Å; Y79-Y111 AromaticContact CD1-CG 3.43Å; Y79-Y111 HydrophobicContact CD1-CG 3.43Å; Y79-Y111 VanDerWaalsContact CD1-CG 3.43Å; Y79-Y111 AromaticContact CD1-CZ 3.8Å; Y79-Y111 HydrophobicContact CE1-CD1 4.08Å; Y79-Y111 HydrophobicContact CE1-CD2 4Å; Y79-Y111 AromaticContact CE1-CG 3.73Å; Y79-Y111 HydrophobicContact CE1-CG 3.73Å; Y79-Y111 HydrophobicContact CG-CD2 4.14Å; Y79-Y111 HydrophobicContact CG-CE2 4.05Å; P80-Y111 WeakPolarHBondContact CD-OH 3.3Å; E81-Y111 PolarHBondContact N-OH 2.9Å; S108-Y111 WeakPolarHBondContact O-CB 3.45Å; S108-Y111 PolarHBondContact O-N 3.12Å; E109-Y111 PolarHBondContact O-N 2.92Å; Y111-K113 PolarHBondContact O-N 3.19Å; Y111-K113 VanDerWaalsContact O-N 3.12Å; Y111-K115 HydrophobicContact CE2-CB 4.37Å; Y111-K115 HydrophobicContact CE2-CD 4.31Å; Y111-K115 WeakPolarHBondContact O-CA 3.19Å; Y111-K115 WeakPolarHBondContact O-CD 3.28Å; Y111-K115 PolarHBondContact O-N 3.36Å; Y111-L116 VanDerWaalsContact CA-O 3.24Å; Y111-L116 WeakPolarHBondContact CA-O 3.38Å; Y111-L116 WeakPolarHBondContact CB-O 3.36Å; Y111-L116 PolarHBondContact N-O 3.27Å
112	K	94.2	Very high	96.9	Very high	137 Å²	137	35.3 Å²	35.3	60%	0.596	17%	0.169	S	C	*	.	H	α-helix	trans	-55.6	-38.1	-179.3	-65.3	-180	-170.1	153.1	0	111.6	E109	E109-K112 PolarHBondContact O-N 3.14Å; E109-K112 IonicContact OE1-NZ 3.25Å; E109-K112 PolarHBondContact OE1-NZ 2.99Å; E109-K112 VanDerWaalsContact OE1-NZ 3.15Å; E109-K112 WeakPolarHBondContact OE2-CD 3.46Å; E109-K112 WeakPolarHBondContact OE2-CE 3.34Å; E109-K112 IonicContact OE2-NZ 2.68Å; E109-K112 PolarHBondContact OE2-NZ 2.81Å
113	K	92	Very high	96.9	Very high	77 Å²	77	34.2 Å²	34.2	34%	0.335	17%	0.165	S	C	.	.	H	α-helix	trans	-91.3	-44.7	-173.1	-170.1	161.5	-167.7	139.7	0	115.7	Y111 R197 Y337	Y111-K113 PolarHBondContact O-N 3.19Å; Y111-K113 VanDerWaalsContact O-N 3.12Å; K113-R197 PolarHBondContact O-NH2 3.29Å; K113-R197 VanDerWaalsContact O-NH2 3.16Å; K113-Y337 HydrophobicContact CD-CD1 3.41Å; K113-Y337 VanDerWaalsContact CD-CD1 3.41Å; K113-Y337 HydrophobicContact CD-CE1 3.9Å; K113-Y337 HydrophobicContact CD-CG 4.48Å; K113-Y337 WeakPolarHBondContact CE-O 3.47Å; K113-Y337 VanDerWaalsContact NZ-C 3.33Å; K113-Y337 VanDerWaalsContact NZ-CA 3.29Å; K113-Y337 PolarHBondContact NZ-O 3.04Å
114	F	95.2	Very high	96.9	Very high	6 Å²	6	30 Å²	30	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-113.8	-5.9	-171.9	-58.7	-57.3	0	0	0	112.8	F110 L116 T189 F190 M193 Y337	F110-F114 HydrophobicContact CB-CD2 4.08Å; F110-F114 AromaticContact CD1-CD2 3.64Å; F110-F114 HydrophobicContact CD1-CD2 3.64Å; F110-F114 AromaticContact CD1-CE2 3.59Å; F110-F114 HydrophobicContact CD1-CE2 3.59Å; F110-F114 HydrophobicContact CE1-CD2 4.46Å; F110-F114 AromaticContact CE1-CE2 3.99Å; F110-F114 HydrophobicContact CE1-CE2 3.99Å; F110-F114 HydrophobicContact CG-CD2 4.17Å; F110-F114 HydrophobicContact CG-CE2 4.5Å; F110-F114 WeakPolarHBondContact O-CA 3.25Å; F110-F114 WeakPolarHBondContact O-CB 3.39Å; F110-F114 PolarHBondContact O-N 2.74Å; F114-L116 HydrophobicContact CB-CB 4.27Å; F114-L116 PolarHBondContact O-N 3.15Å; F114-T189 HydrophobicContact CD2-CG2 4.29Å; F114-F190 AromaticContact CE2-CD1 3.96Å; F114-F190 HydrophobicContact CE2-CD1 3.96Å; F114-F190 AromaticContact CE2-CE1 3.95Å; F114-F190 HydrophobicContact CE2-CE1 3.95Å; F114-F190 AromaticContact CZ-CD1 3.79Å; F114-F190 HydrophobicContact CZ-CD1 3.79Å; F114-F190 HydrophobicContact CZ-CE1 4.07Å; F114-M193 HydrophobicContact CB-CB 4.41Å; F114-M193 HydrophobicContact CB-CE 3.76Å; F114-M193 HydrophobicContact CB-CG 3.8Å; F114-M193 HydrophobicContact CB-SD 4.36Å; F114-M193 HydrophobicContact CD1-CB 4.01Å; F114-M193 HydrophobicContact CD1-CG 4.21Å; F114-M193 HydrophobicContact CD2-CG 4.21Å; F114-M193 HydrophobicContact CE1-CB 4.5Å; F114-M193 HydrophobicContact CG-CB 4.16Å; F114-M193 HydrophobicContact CG-CG 3.83Å; F114-M193 VanDerWaalsContact O-CE 3.3Å; F114-M193 WeakPolarHBondContact O-CE 3.24Å; F114-Y337 HydrophobicContact CZ-CD1 4.41Å
115	K	97.5	Very high	96.8	Very high	56 Å²	56	31.2 Å²	31.2	24%	0.243	15%	0.154	C	C	.	.			trans	54.2	36	-170.4	-47.3	-64.8	179	178.2	0	111.4	E81 F83 V84 F110 Y111	E81-K115 HydrophobicContact CB-CD 3.93Å; E81-K115 VanDerWaalsContact O-CB 3.25Å; E81-K115 WeakPolarHBondContact O-CB 3.36Å; E81-K115 WeakPolarHBondContact O-CG 3.42Å; E81-K115 IonicContact OE1-NZ 2.89Å; E81-K115 IonicContact OE2-NZ 2.74Å; E81-K115 PolarHBondContact OE2-NZ 3.45Å; F83-K115 HydrophobicContact CB-CB 3.72Å; F83-K115 PolarHBondContact N-O 2.86Å; V84-K115 PolarHBondContact N-O 3.37Å; F110-K115 PolarHBondContact O-N 2.89Å; Y111-K115 HydrophobicContact CE2-CB 4.37Å; Y111-K115 HydrophobicContact CE2-CD 4.31Å; Y111-K115 WeakPolarHBondContact O-CA 3.19Å; Y111-K115 WeakPolarHBondContact O-CD 3.28Å; Y111-K115 PolarHBondContact O-N 3.36Å
116	L	98.2	Very high	96.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.5	173	173.2	65.6	0	0	0	108.8	V84 A86 F110 Y111 F114 T189 M193	V84-L116 HydrophobicContact CB-CD1 3.83Å; V84-L116 HydrophobicContact CG1-CD1 3.73Å; V84-L116 WeakPolarHBondContact O-CA 3.36Å; A86-L116 HydrophobicContact CB-CD1 4.15Å; F110-L116 HydrophobicContact CB-CB 4.49Å; F110-L116 HydrophobicContact CB-CD2 4.4Å; Y111-L116 VanDerWaalsContact CA-O 3.24Å; Y111-L116 WeakPolarHBondContact CA-O 3.38Å; Y111-L116 WeakPolarHBondContact CB-O 3.36Å; Y111-L116 PolarHBondContact N-O 3.27Å; F114-L116 HydrophobicContact CB-CB 4.27Å; F114-L116 PolarHBondContact O-N 3.15Å; L116-T189 HydrophobicContact CD2-CG2 3.54Å; L116-M193 HydrophobicContact CB-SD 4.31Å; L116-M193 HydrophobicContact CD2-SD 4.43Å
117	A	98.3	Very high	96.5	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	161.3	168.1	0	0	0	0	0	110	F74 Y79 I82 V84 I85 A86	F74-A117 HydrophobicContact CE1-CB 4.31Å; Y79-A117 HydrophobicContact CD1-CB 3.92Å; Y79-A117 HydrophobicContact CD2-CB 3.61Å; Y79-A117 HydrophobicContact CE1-CB 4.06Å; Y79-A117 HydrophobicContact CE2-CB 3.76Å; Y79-A117 HydrophobicContact CG-CB 3.67Å; I82-A117 HydrophobicContact CD1-CB 3.79Å; V84-A117 PolarHBondContact O-N 2.7Å; V84-A117 VanDerWaalsContact O-N 3.08Å; I85-A117 HydrophobicContact CD1-CB 4.29Å; A86-A117 PolarHBondContact N-O 3.08Å
118	V	98.7	Very high	96.4	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143	179.1	62.9	0	0	0	0	110.5	F74 A86 V88 A106 F120	F74-V118 WeakPolarHBondContact CZ-O 3.35Å; A86-V118 HydrophobicContact CB-CB 4.27Å; A86-V118 HydrophobicContact CB-CG2 4.18Å; A86-V118 CarbonylContact O-C 3.58Å; A86-V118 WeakPolarHBondContact O-CA 2.99Å; V88-V118 HydrophobicContact CG2-CG2 3.7Å; A106-V118 HydrophobicContact CB-CB 3.81Å; A106-V118 HydrophobicContact CB-CG1 3.75Å; A106-V118 HydrophobicContact CB-CG2 3.99Å; V118-F120 HydrophobicContact CG1-CE2 4.41Å; V118-F120 HydrophobicContact CG2-CE1 4.43Å; V118-F120 HydrophobicContact CG2-CE2 4.45Å; V118-F120 HydrophobicContact CG2-CZ 4.21Å
119	V	98.7	Very high	96.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.9	167.1	71.5	0	0	0	0	109.2	F74 I85 A86 I87 V88 D144 V146 W167	F74-V119 HydrophobicContact CZ-CB 4.37Å; I85-V119 HydrophobicContact CD1-CB 4.47Å; I85-V119 HydrophobicContact CD1-CG1 4.22Å; A86-V119 PolarHBondContact O-N 2.98Å; I87-V119 HydrophobicContact CD1-CG1 3.33Å; I87-V119 HydrophobicContact CG1-CG1 4.5Å; I87-V119 HydrophobicContact CG2-CG1 4.48Å; V88-V119 PolarHBondContact N-O 3.27Å; V119-D144 CarbonylContact C-O 3.6Å; V119-D144 VanDerWaalsContact CA-O 3.26Å; V119-D144 WeakPolarHBondContact CA-O 3.34Å; V119-D144 WeakPolarHBondContact CG2-O 3.49Å; V119-V146 HydrophobicContact CG2-CB 4.12Å; V119-V146 HydrophobicContact CG2-CG2 3.45Å; V119-V146 VanDerWaalsContact CG2-CG2 3.45Å; V119-W167 HydrophobicContact CB-CH2 4.05Å; V119-W167 HydrophobicContact CB-CZ3 4.46Å; V119-W167 HydrophobicContact CG1-CE3 4.37Å; V119-W167 HydrophobicContact CG1-CH2 3.77Å; V119-W167 HydrophobicContact CG1-CZ3 3.67Å; V119-W167 HydrophobicContact CG2-CH2 4.18Å; V119-W167 HydrophobicContact CG2-CZ2 4.23Å
120	F	98.9	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.5	178.8	-62.7	-77.7	0	0	0	109.7	V88 T90 R98 I101 R102 V118 D144 I145 V146	V88-F120 HydrophobicContact CB-CD1 3.6Å; V88-F120 HydrophobicContact CB-CE1 3.94Å; V88-F120 HydrophobicContact CG1-CD1 3.74Å; V88-F120 HydrophobicContact CG1-CE1 3.97Å; V88-F120 HydrophobicContact CG2-CD1 4.21Å; V88-F120 HydrophobicContact CG2-CE1 4.08Å; T90-F120 HydrophobicContact CG2-CB 3.87Å; T90-F120 HydrophobicContact CG2-CD1 4.07Å; T90-F120 HydrophobicContact CG2-CG 4.42Å; R98-F120 HydrophobicContact CB-CD1 4.07Å; R98-F120 HydrophobicContact CB-CE1 3.82Å; R98-F120 HydrophobicContact CB-CE2 4.31Å; R98-F120 HydrophobicContact CB-CG 4.41Å; R98-F120 HydrophobicContact CB-CZ 3.95Å; R98-F120 HydrophobicContact CG-CB 4.48Å; R98-F120 HydrophobicContact CG-CD1 3.48Å; R98-F120 VanDerWaalsContact CG-CD1 3.48Å; R98-F120 HydrophobicContact CG-CD2 4.43Å; R98-F120 HydrophobicContact CG-CE1 3.71Å; R98-F120 HydrophobicContact CG-CG 3.88Å; R98-F120 HydrophobicContact CG-CZ 4.29Å; I101-F120 HydrophobicContact CB-CE1 4.1Å; I101-F120 HydrophobicContact CB-CZ 4.12Å; I101-F120 HydrophobicContact CD1-CE1 4.11Å; I101-F120 HydrophobicContact CG2-CE1 3.86Å; I101-F120 HydrophobicContact CG2-CZ 3.82Å; R102-F120 HydrophobicContact CG-CE2 3.96Å; R102-F120 HydrophobicContact CG-CZ 4.03Å; V118-F120 HydrophobicContact CG1-CE2 4.41Å; V118-F120 HydrophobicContact CG2-CE1 4.43Å; V118-F120 HydrophobicContact CG2-CE2 4.45Å; V118-F120 HydrophobicContact CG2-CZ 4.21Å; F120-D144 WeakPolarHBondContact CD2-O 3.48Å; F120-D144 PolarHBondContact N-O 3.28Å; F120-I145 HydrophobicContact CB-CG1 4.04Å; F120-I145 HydrophobicContact CD2-CG1 4.44Å; F120-I145 WeakPolarHBondContact O-CA 3.25Å; F120-V146 PolarHBondContact O-N 3.27Å
121	A	98.8	Very high	96.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.5	-179.6	0	0	0	0	0	110.6	I87 V88 T90 F148 K160	I87-A121 HydrophobicContact CG2-CB 3.87Å; V88-A121 PolarHBondContact O-N 3.47Å; T90-A121 PolarHBondContact N-O 3.15Å; A121-F148 HydrophobicContact CB-CE2 4.09Å; A121-K160 HydrophobicContact CB-CD 4.4Å; A121-K160 HydrophobicContact CB-CG 4.34Å
122	V	98.6	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154	-176	-61.7	0	0	0	0	111.5	T90 L92 L135 I145 V146 Q147 F148	T90-V122 HydrophobicContact CG2-CG1 3.56Å; L92-V122 HydrophobicContact CG-CB 4.46Å; V122-L135 HydrophobicContact CG2-CD2 3.89Å; V122-I145 HydrophobicContact CG2-CG2 3.57Å; V122-V146 PolarHBondContact N-O 3.05Å; V122-V146 VanDerWaalsContact N-O 3.08Å; V122-Q147 HydrophobicContact CG2-CB 3.74Å; V122-Q147 HydrophobicContact CG2-CG 3.95Å; V122-Q147 CarbonylContact O-C 3.26Å; V122-Q147 WeakPolarHBondContact O-CA 3.3Å; V122-F148 VanDerWaalsContact O-CD2 3.31Å; V122-F148 WeakPolarHBondContact O-CD2 3.47Å; V122-F148 PolarHBondContact O-N 2.88Å
123	G	98.2	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-149	167.9	0	0	0	0	0	112.1	L92 Q147 F148 F150 D152	L92-G123 WeakPolarHBondContact CD1-O 3.38Å; G123-Q147 WeakPolarHBondContact O-CG 3.2Å; G123-Q147 PolarHBondContact O-NE2 3.42Å; G123-F148 CarbonylContact C-O 3.56Å; G123-F150 CarbonylContact C-O 3.5Å; G123-F150 WeakPolarHBondContact CA-O 3.25Å; G123-D152 PolarHBondContact N-OD2 2.81Å
124	E	97.7	Very high	96.5	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	158.2	174.8	-71.2	175.9	157.2	0	0	111.9	V68 F150 T151 D152	V68-E124 WeakPolarHBondContact CG2-OE1 3.12Å; E124-F150 PolarHBondContact N-O 3.22Å; E124-T151 CarbonylContact O-C 3.48Å; E124-T151 WeakPolarHBondContact O-CA 3.34Å; E124-D152 PolarHBondContact O-N 3.08Å
125	D	95.9	Very high	96.6	Very high	32 Å²	32	38.9 Å²	38.9	17%	0.171	22%	0.223	C	C	.	.			trans	-125.5	82.7	168.3	-177	-10.2	0	0	0	108.3	L92 R93 Q127 H128	L92-D125 HydrophobicContact CD1-CB 4.47Å; L92-D125 HydrophobicContact CD2-CB 4.01Å; R93-D125 IonicContact CZ-OD2 2.69Å; R93-D125 IonicContact NE-OD2 3.63Å; R93-D125 PolarHBondContact NE-OD2 3.3Å; R93-D125 IonicContact NH2-OD2 2.76Å; R93-D125 PolarHBondContact NH2-OD2 2.96Å; D125-Q127 PolarHBondContact O-N 2.89Å; D125-Q127 VanDerWaalsContact O-N 3.15Å; D125-Q127 PolarHBondContact OD1-N 3.07Å; D125-H128 CarbonylContact O-C 3.59Å; D125-H128 PolarHBondContact O-N 2.84Å; D125-H128 VanDerWaalsContact O-N 3.08Å; D125-H128 IonicContact OD1-CG 2.93Å; D125-H128 PolarHBondContact OD1-N 3.46Å; D125-H128 IonicContact OD1-ND1 3.88Å; D125-H128 PolarHBondContact OD1-ND1 3.07Å; D125-H128 IonicContact OD2-CG 2.98Å; D125-H128 IonicContact OD2-ND1 3.24Å; D125-H128 PolarHBondContact OD2-ND1 3.46Å
126	P	93.2	Very high	96.6	Very high	82 Å²	82	39 Å²	39	53%	0.532	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.6	-176.5	-23.5	34.4	0	0	0	113.5	H128	P126-H128 VanDerWaalsContact C-N 3.29Å
127	Q	93.6	Very high	96.6	Very high	148 Å²	148	45.6 Å²	45.6	69%	0.692	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.1	179.6	-65.3	177.9	4.5	0	0	112.2	D125	D125-Q127 PolarHBondContact O-N 2.89Å; D125-Q127 VanDerWaalsContact O-N 3.15Å; D125-Q127 PolarHBondContact OD1-N 3.07Å
128	H	94.2	Very high	96.6	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.315	25%	0.25	S	S	.	.			trans	-134.5	75	-174.5	-54.8	75.3	0	0	0	112	R93 D125 P126 S130 V131	R93-H128 PolarHBondContact NH2-CD2 3.19Å; R93-H128 PolarHBondContact NH2-CE1 2.96Å; R93-H128 PolarHBondContact NH2-ND1 2.74Å; R93-H128 PolarHBondContact NH2-NE2 3.38Å; R93-H128 VanDerWaalsContact NH2-NE2 3.13Å; D125-H128 CarbonylContact O-C 3.59Å; D125-H128 PolarHBondContact O-N 2.84Å; D125-H128 VanDerWaalsContact O-N 3.08Å; D125-H128 IonicContact OD1-CG 2.93Å; D125-H128 PolarHBondContact OD1-N 3.46Å; D125-H128 IonicContact OD1-ND1 3.88Å; D125-H128 PolarHBondContact OD1-ND1 3.07Å; D125-H128 IonicContact OD2-CG 2.98Å; D125-H128 IonicContact OD2-ND1 3.24Å; D125-H128 PolarHBondContact OD2-ND1 3.46Å; P126-H128 VanDerWaalsContact C-N 3.29Å; H128-S130 PolarHBondContact O-N 2.92Å; H128-S130 VanDerWaalsContact O-N 3.07Å; H128-V131 HydrophobicContact CB-CG2 3.77Å; H128-V131 VanDerWaalsContact O-CB 3.32Å; H128-V131 WeakPolarHBondContact O-CB 3.46Å; H128-V131 PolarHBondContact O-N 3.48Å
129	P	91.7	Very high	96.6	Very high	96 Å²	96	48.1 Å²	48.1	62%	0.623	26%	0.257	S	S	*	.	H	α-helix	trans	-56.7	-28.2	-177.1	-26.8	35.4	0	0	0	114.9	V131 Q132	P129-V131 PolarHBondContact O-N 3.07Å; P129-Q132 VanDerWaalsContact O-CB 3.31Å; P129-Q132 WeakPolarHBondContact O-CB 3.37Å; P129-Q132 PolarHBondContact O-N 3.34Å
130	S	94.3	Very high	96.6	Very high	88 Å²	88	53.3 Å²	53.3	62%	0.615	28%	0.281	S	S	*	.	H	α-helix	trans	-63.2	-26.4	176.7	60.4	0	0	0	0	113.4	H128 Q132 T134	H128-S130 PolarHBondContact O-N 2.92Å; H128-S130 VanDerWaalsContact O-N 3.07Å; S130-Q132 VanDerWaalsContact C-N 3.31Å; S130-T134 PolarHBondContact O-N 3.21Å; S130-T134 PolarHBondContact O-OG1 2.84Å
131	V	95.2	Very high	96.5	Very high	17 Å²	17	58 Å²	58	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-37.4	174.6	179.7	0	0	0	0	110	L92 R93 F95 H128 P129 T134 L135	L92-V131 HydrophobicContact CB-CG1 3.55Å; L92-V131 HydrophobicContact CD2-CG1 4.21Å; R93-V131 HydrophobicContact CG-CG1 3.99Å; R93-V131 HydrophobicContact CG-CG2 4.06Å; F95-V131 HydrophobicContact CE2-CG1 4.27Å; F95-V131 HydrophobicContact CZ-CG1 4.31Å; H128-V131 HydrophobicContact CB-CG2 3.77Å; H128-V131 VanDerWaalsContact O-CB 3.32Å; H128-V131 WeakPolarHBondContact O-CB 3.46Å; H128-V131 PolarHBondContact O-N 3.48Å; P129-V131 PolarHBondContact O-N 3.07Å; V131-T134 PolarHBondContact O-N 2.83Å; V131-L135 PolarHBondContact O-N 2.82Å
132	Q	97.3	Very high	96.5	Very high	52 Å²	52	62.6 Å²	62.6	24%	0.243	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-45.4	178.4	-174.5	59.6	30.5	0	0	111.7	P129 S130 T134 L135 Q136	P129-Q132 VanDerWaalsContact O-CB 3.31Å; P129-Q132 WeakPolarHBondContact O-CB 3.37Å; P129-Q132 PolarHBondContact O-N 3.34Å; S130-Q132 VanDerWaalsContact C-N 3.31Å; Q132-T134 PolarHBondContact O-N 2.96Å; Q132-L135 PolarHBondContact O-N 3.3Å; Q132-L135 VanDerWaalsContact O-N 3.17Å; Q132-Q136 WeakPolarHBondContact O-CB 3.39Å; Q132-Q136 PolarHBondContact O-N 3.05Å
133	A	95.8	Very high	96.4	Very high	56 Å²	56	65.8 Å²	65.8	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-28.6	177.7	0	0	0	0	0	112.9	R137	A133-R137 WeakPolarHBondContact O-CG 3.48Å; A133-R137 PolarHBondContact O-N 3.19Å; A133-R137 PolarHBondContact O-NE 3.25Å
134	T	96.3	Very high	96.4	Very high	48 Å²	48	66.3 Å²	66.3	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-78.3	-39.1	175.5	-53.7	0	0	0	0	111.4	F95 S130 V131 Q132 R137 E138	F95-T134 HydrophobicContact CD1-CG2 4.04Å; F95-T134 HydrophobicContact CD2-CG2 4.49Å; F95-T134 HydrophobicContact CE1-CG2 3.52Å; F95-T134 HydrophobicContact CE2-CG2 3.98Å; F95-T134 HydrophobicContact CZ-CG2 3.5Å; F95-T134 VanDerWaalsContact CZ-CG2 3.5Å; S130-T134 PolarHBondContact O-N 3.21Å; S130-T134 PolarHBondContact O-OG1 2.84Å; V131-T134 PolarHBondContact O-N 2.83Å; Q132-T134 PolarHBondContact O-N 2.96Å; T134-R137 PolarHBondContact O-N 2.88Å; T134-R137 PolarHBondContact OG1-NH2 3.38Å; T134-E138 PolarHBondContact O-N 3.23Å; T134-E138 VanDerWaalsContact O-N 3.11Å
135	L	98.1	Very high	96.5	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-40.8	174.3	-168.6	75.3	0	0	0	111.9	L69 L92 F95 V122 V131 Q132 E138 W139 I145	L69-L135 HydrophobicContact CD1-CD2 4.01Å; L69-L135 HydrophobicContact CD1-CG 4.13Å; L92-L135 HydrophobicContact CD2-CD2 4.17Å; L92-L135 HydrophobicContact CG-CD2 4.26Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE1-CD1 4.3Å; F95-L135 HydrophobicContact CZ-CB 4.37Å; V122-L135 HydrophobicContact CG2-CD2 3.89Å; V131-L135 PolarHBondContact O-N 2.82Å; Q132-L135 PolarHBondContact O-N 3.3Å; Q132-L135 VanDerWaalsContact O-N 3.17Å; L135-E138 WeakPolarHBondContact O-CB 3.44Å; L135-E138 PolarHBondContact O-N 3.29Å; L135-W139 WeakPolarHBondContact O-CB 3.4Å; L135-W139 PolarHBondContact O-N 2.67Å; L135-I145 HydrophobicContact CD1-CD1 3.86Å; L135-I145 HydrophobicContact CD1-CG2 4.39Å; L135-I145 HydrophobicContact CG-CD1 4.45Å
136	Q	97.9	Very high	96.6	Very high	57 Å²	57	62.7 Å²	62.7	27%	0.266	33%	0.328	S	S	.	.	H	α-helix	trans	-55.7	-52.1	175	180	62.5	37.4	0	0	111.4	Q132 E138 W139 E140	Q132-Q136 WeakPolarHBondContact O-CB 3.39Å; Q132-Q136 PolarHBondContact O-N 3.05Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.06Å; Q136-W139 WeakPolarHBondContact O-CB 3.4Å; Q136-W139 PolarHBondContact O-N 3.46Å; Q136-W139 VanDerWaalsContact O-N 3.11Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.39Å; Q136-E140 PolarHBondContact NE2-OE1 2.75Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.43Å
137	R	97.9	Very high	96.9	Very high	146 Å²	146	58.8 Å²	58.8	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-61.5	-37.9	178	-71.6	-179.8	-70.8	156.7	-2.5	112.9	A133 T134 T141	A133-R137 WeakPolarHBondContact O-CG 3.48Å; A133-R137 PolarHBondContact O-N 3.19Å; A133-R137 PolarHBondContact O-NE 3.25Å; T134-R137 PolarHBondContact O-N 2.88Å; T134-R137 PolarHBondContact OG1-NH2 3.38Å; R137-T141 PolarHBondContact O-N 3.03Å; R137-T141 PolarHBondContact O-OG1 3.45Å
138	E	98.4	Very high	97.1	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-44.5	173.9	-173.5	-174.7	-178.2	0	0	111	F95 R98 R102 T134 L135 Q136 T141 Y142 I145	F95-E138 WeakPolarHBondContact CD1-OE2 3.1Å; F95-E138 HydrophobicContact CE1-CB 4.5Å; F95-E138 VanDerWaalsContact CE1-OE2 3.27Å; F95-E138 WeakPolarHBondContact CE1-OE2 3.24Å; R98-E138 IonicContact CZ-OE1 3.91Å; R98-E138 IonicContact CZ-OE2 3.43Å; R98-E138 VanDerWaalsContact CZ-OE2 3.24Å; R98-E138 VanDerWaalsContact NE-CD 3.34Å; R98-E138 IonicContact NE-OE1 3.53Å; R98-E138 PolarHBondContact NE-OE1 3.33Å; R98-E138 IonicContact NE-OE2 2.81Å; R98-E138 PolarHBondContact NE-OE2 3.11Å; R98-E138 IonicContact NH2-OE1 2.8Å; R98-E138 IonicContact NH2-OE2 3.78Å; R98-E138 PolarHBondContact NH2-OE2 2.82Å; R102-E138 IonicContact CZ-OE1 2.63Å; R102-E138 VanDerWaalsContact CZ-OE1 3.25Å; R102-E138 IonicContact NH1-OE1 3.92Å; R102-E138 PolarHBondContact NH1-OE1 3.08Å; R102-E138 IonicContact NH2-OE1 3.29Å; R102-E138 PolarHBondContact NH2-OE1 3.18Å; T134-E138 PolarHBondContact O-N 3.23Å; T134-E138 VanDerWaalsContact O-N 3.11Å; L135-E138 WeakPolarHBondContact O-CB 3.44Å; L135-E138 PolarHBondContact O-N 3.29Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-E138 PolarHBondContact O-N 3.06Å; E138-T141 PolarHBondContact O-N 2.96Å; E138-Y142 HydrophobicContact CG-CD2 3.8Å; E138-Y142 HydrophobicContact CG-CE2 4.18Å; E138-Y142 WeakPolarHBondContact O-CD2 3.33Å; E138-Y142 PolarHBondContact O-N 3.49Å; E138-I145 HydrophobicContact CB-CD1 4.1Å; E138-I145 HydrophobicContact CG-CD1 3.78Å
139	W	98.3	Very high	97.2	Very high	50 Å²	50	50.9 Å²	50.9	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-40.3	177.4	176.8	83.8	0	0	0	112.1	L69 L70 L135 Q136 T141 Y142 E143 I145	L69-W139 HydrophobicContact CB-CD2 4.25Å; L69-W139 HydrophobicContact CB-CG 4.04Å; L69-W139 HydrophobicContact CD1-CB 3.91Å; L69-W139 HydrophobicContact CD1-CG 4.09Å; L69-W139 HydrophobicContact CD2-CD2 4.22Å; L69-W139 HydrophobicContact CD2-CE3 4.28Å; L69-W139 HydrophobicContact CD2-CG 4.45Å; L69-W139 HydrophobicContact CG-CG 4.41Å; L70-W139 WeakPolarHBondContact O-CZ2 3.45Å; L135-W139 WeakPolarHBondContact O-CB 3.4Å; L135-W139 PolarHBondContact O-N 2.67Å; Q136-W139 WeakPolarHBondContact O-CB 3.4Å; Q136-W139 PolarHBondContact O-N 3.46Å; Q136-W139 VanDerWaalsContact O-N 3.11Å; W139-T141 PolarHBondContact O-N 2.97Å; W139-Y142 PolarHBondContact O-N 2.69Å; W139-E143 WeakPolarHBondContact O-CA 3.27Å; W139-E143 WeakPolarHBondContact O-CG 3.28Å; W139-E143 PolarHBondContact O-N 2.92Å; W139-I145 HydrophobicContact CB-CB 4.43Å; W139-I145 HydrophobicContact CB-CD1 4.25Å; W139-I145 PolarHBondContact NE1-O 3.45Å
140	E	98.2	Very high	97.4	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.514	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-32.1	173.8	-73.4	163.3	-177.7	0	0	112.5	Q136	Q136-E140 WeakPolarHBondContact CG-OE1 3.39Å; Q136-E140 PolarHBondContact NE2-OE1 2.75Å; Q136-E140 WeakPolarHBondContact O-CG 3.48Å; Q136-E140 PolarHBondContact O-N 3.43Å
141	T	97.8	Very high	97.6	Very high	98 Å²	98	45.2 Å²	45.2	60%	0.601	23%	0.226	S	C	*	.	H	α-helix	trans	-79.5	-45.2	-179.4	-56.4	0	0	0	0	112.3	R137 E138 W139	R137-T141 PolarHBondContact O-N 3.03Å; R137-T141 PolarHBondContact O-OG1 3.45Å; E138-T141 PolarHBondContact O-N 2.96Å; W139-T141 PolarHBondContact O-N 2.97Å
142	Y	97.7	Very high	97.7	Very high	99 Å²	99	46.2 Å²	46.2	39%	0.388	23%	0.231	S	C	.	.	H	α-helix	trans	-110.4	-22.8	-168.5	-62.6	-75.2	0	0	0	113.9	K78 E138 W139 D144	K78-Y142 PolarHBondContact NZ-O 2.95Å; E138-Y142 HydrophobicContact CG-CD2 3.8Å; E138-Y142 HydrophobicContact CG-CE2 4.18Å; E138-Y142 WeakPolarHBondContact O-CD2 3.33Å; E138-Y142 PolarHBondContact O-N 3.49Å; W139-Y142 PolarHBondContact O-N 2.69Å; Y142-D144 VanDerWaalsContact CB-OD1 3.25Å; Y142-D144 WeakPolarHBondContact CB-OD1 3.38Å; Y142-D144 PolarHBondContact O-N 3.15Å; Y142-D144 VanDerWaalsContact O-N 3.11Å
143	E	97.3	Very high	97.6	Very high	67 Å²	67	45 Å²	45	31%	0.313	23%	0.227	S	C	.	.			trans	46.1	40.1	-178.2	-50.7	167.3	95.2	0	0	113	R71 F74 K78 W139	R71-E143 IonicContact CZ-OE1 2.73Å; R71-E143 IonicContact CZ-OE2 3.89Å; R71-E143 IonicContact NE-OE1 3.42Å; R71-E143 VanDerWaalsContact NH1-CD 3.26Å; R71-E143 IonicContact NH1-OE1 3.53Å; R71-E143 PolarHBondContact NH1-OE1 2.79Å; R71-E143 IonicContact NH1-OE2 3.53Å; R71-E143 PolarHBondContact NH1-OE2 3.15Å; F74-E143 WeakPolarHBondContact CD2-O 3.1Å; F74-E143 WeakPolarHBondContact CE2-O 3.29Å; K78-E143 PolarHBondContact NZ-O 3.44Å; K78-E143 IonicContact NZ-OE2 3.57Å; W139-E143 WeakPolarHBondContact O-CA 3.27Å; W139-E143 WeakPolarHBondContact O-CG 3.28Å; W139-E143 PolarHBondContact O-N 2.92Å
144	D	98.2	Very high	97.4	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.059	24%	0.236	C	C	.	.			trans	-127.6	22.3	-177.4	66.3	-1.4	0	0	0	111.7	F74 R102 V119 F120 Y142	F74-D144 HydrophobicContact CE2-CB 4.18Å; R102-D144 IonicContact CZ-OD1 2.72Å; R102-D144 IonicContact CZ-OD2 3.74Å; R102-D144 IonicContact NE-OD1 3.94Å; R102-D144 PolarHBondContact NE-OD1 3.38Å; R102-D144 IonicContact NE-OD2 2.9Å; R102-D144 PolarHBondContact NE-OD2 2.99Å; R102-D144 IonicContact NH2-OD1 3.62Å; R102-D144 PolarHBondContact NH2-OD1 3.19Å; R102-D144 IonicContact NH2-OD2 3.29Å; V119-D144 CarbonylContact C-O 3.6Å; V119-D144 VanDerWaalsContact CA-O 3.26Å; V119-D144 WeakPolarHBondContact CA-O 3.34Å; V119-D144 WeakPolarHBondContact CG2-O 3.49Å; F120-D144 WeakPolarHBondContact CD2-O 3.48Å; F120-D144 PolarHBondContact N-O 3.28Å; Y142-D144 VanDerWaalsContact CB-OD1 3.25Å; Y142-D144 WeakPolarHBondContact CB-OD1 3.38Å; Y142-D144 PolarHBondContact O-N 3.15Å; Y142-D144 VanDerWaalsContact O-N 3.11Å
145	I	98.8	Very high	97.4	Very high	2 Å²	2	50 Å²	50	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.4	172.4	-65.4	157.6	0	0	0	108.5	F120 V122 L135 E138 W139	F120-I145 HydrophobicContact CB-CG1 4.04Å; F120-I145 HydrophobicContact CD2-CG1 4.44Å; F120-I145 WeakPolarHBondContact O-CA 3.25Å; V122-I145 HydrophobicContact CG2-CG2 3.57Å; L135-I145 HydrophobicContact CD1-CD1 3.86Å; L135-I145 HydrophobicContact CD1-CG2 4.39Å; L135-I145 HydrophobicContact CG-CD1 4.45Å; E138-I145 HydrophobicContact CB-CD1 4.1Å; E138-I145 HydrophobicContact CG-CD1 3.78Å; W139-I145 HydrophobicContact CB-CB 4.43Å; W139-I145 HydrophobicContact CB-CD1 4.25Å; W139-I145 PolarHBondContact NE1-O 3.45Å
146	V	98.6	Very high	97.3	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.5	166.1	175.4	0	0	0	0	107.4	Y67 L69 L70 V119 F120 V122 F148 W167	Y67-V146 HydrophobicContact CD1-CG1 3.95Å; Y67-V146 HydrophobicContact CE1-CG1 4.47Å; L69-V146 WeakPolarHBondContact O-CA 3.48Å; L70-V146 HydrophobicContact CD1-CG2 4.48Å; V119-V146 HydrophobicContact CG2-CB 4.12Å; V119-V146 HydrophobicContact CG2-CG2 3.45Å; V119-V146 VanDerWaalsContact CG2-CG2 3.45Å; F120-V146 PolarHBondContact O-N 3.27Å; V122-V146 PolarHBondContact N-O 3.05Å; V122-V146 VanDerWaalsContact N-O 3.08Å; V146-F148 HydrophobicContact CG1-CD1 4.26Å; V146-F148 HydrophobicContact CG1-CE1 3.48Å; V146-F148 VanDerWaalsContact CG1-CE1 3.48Å; V146-F148 HydrophobicContact CG1-CZ 3.66Å; V146-W167 HydrophobicContact CG1-CG 4.16Å; V146-W167 HydrophobicContact CG2-CD2 4.09Å; V146-W167 HydrophobicContact CG2-CG 4.25Å; V146-W167 HydrophobicContact CG2-CZ2 3.96Å; V146-W167 VanDerWaalsContact CG2-NE1 3.35Å
147	Q	98.7	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	-178.7	-178	175.1	27	0	0	110.8	Y67 V68 L69 V122 G123	Y67-Q147 CarbonylContact C-O 3.5Å; Y67-Q147 WeakPolarHBondContact CA-O 3.46Å; V68-Q147 HydrophobicContact CB-CB 4.06Å; V68-Q147 HydrophobicContact CB-CG 3.84Å; V68-Q147 HydrophobicContact CG1-CG 4.4Å; V68-Q147 HydrophobicContact CG2-CG 4.27Å; V68-Q147 PolarHBondContact N-O 3.03Å; L69-Q147 HydrophobicContact CB-CB 3.81Å; L69-Q147 HydrophobicContact CD1-CB 4.2Å; L69-Q147 VanDerWaalsContact CD1-OE1 3.27Å; L69-Q147 HydrophobicContact CG-CB 3.97Å; L69-Q147 VanDerWaalsContact CG-OE1 3.29Å; L69-Q147 PolarHBondContact O-N 2.87Å; V122-Q147 HydrophobicContact CG2-CB 3.74Å; V122-Q147 HydrophobicContact CG2-CG 3.95Å; V122-Q147 CarbonylContact O-C 3.26Å; V122-Q147 WeakPolarHBondContact O-CA 3.3Å; G123-Q147 WeakPolarHBondContact O-CG 3.2Å; G123-Q147 PolarHBondContact O-NE2 3.42Å
148	F	98.3	Very high	97.4	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.7	177.9	-45.2	-69.7	0	0	0	111.9	R66 Y67 A121 V122 G123 V146 F150 K160 S163 W164	R66-F148 WeakPolarHBondContact O-CA 3.44Å; Y67-F148 AromaticContact CD1-CD1 3.8Å; Y67-F148 HydrophobicContact CD1-CD1 3.8Å; Y67-F148 AromaticContact CD1-CE1 3.69Å; Y67-F148 HydrophobicContact CD1-CE1 3.69Å; Y67-F148 HydrophobicContact CE1-CD1 4.09Å; Y67-F148 AromaticContact CE1-CE1 3.69Å; Y67-F148 HydrophobicContact CE1-CE1 3.69Å; A121-F148 HydrophobicContact CB-CE2 4.09Å; V122-F148 VanDerWaalsContact O-CD2 3.31Å; V122-F148 WeakPolarHBondContact O-CD2 3.47Å; V122-F148 PolarHBondContact O-N 2.88Å; G123-F148 CarbonylContact C-O 3.56Å; V146-F148 HydrophobicContact CG1-CD1 4.26Å; V146-F148 HydrophobicContact CG1-CE1 3.48Å; V146-F148 VanDerWaalsContact CG1-CE1 3.48Å; V146-F148 HydrophobicContact CG1-CZ 3.66Å; F148-F150 HydrophobicContact CB-CD1 3.95Å; F148-F150 HydrophobicContact CB-CE1 3.29Å; F148-F150 HydrophobicContact CB-CE2 4.14Å; F148-F150 HydrophobicContact CB-CZ 3.37Å; F148-F150 HydrophobicContact CD2-CE1 4.33Å; F148-F150 HydrophobicContact CD2-CE2 4.41Å; F148-F150 AromaticContact CD2-CZ 3.66Å; F148-F150 HydrophobicContact CD2-CZ 3.66Å; F148-F150 AromaticContact CG-CE1 3.95Å; F148-F150 HydrophobicContact CG-CE1 3.95Å; F148-F150 AromaticContact CG-CZ 3.76Å; F148-F150 HydrophobicContact CG-CZ 3.76Å; F148-F150 PolarHBondContact O-N 3.45Å; F148-K160 HydrophobicContact CD2-CG 4.4Å; F148-K160 HydrophobicContact CE2-CG 4.18Å; F148-S163 VanDerWaalsContact CD1-CB 3.5Å; F148-S163 VanDerWaalsContact CE1-CB 3.44Å; F148-W164 HydrophobicContact CZ-CB 4.12Å
149	N	96.4	Very high	97.4	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	42.1	-174.5	72.9	-37.9	0	0	0	115.3	F65 R66 V68	F65-N149 WeakPolarHBondContact CA-OD1 3.34Å; R66-N149 HydrophobicContact CB-CB 4.07Å; R66-N149 PolarHBondContact N-OD1 3.38Å; R66-N149 PolarHBondContact O-N 2.9Å; R66-N149 VanDerWaalsContact O-N 3.15Å; V68-N149 HydrophobicContact CG2-CB 3.92Å
150	F	96.8	Very high	97.4	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.6	170.9	49	-103.8	0	0	0	110	F65 G123 E124 F148 D152 N156 L159 K160 S163	F65-F150 HydrophobicContact CD1-CD1 4.14Å; F65-F150 HydrophobicContact CD2-CE1 4.4Å; F65-F150 HydrophobicContact CE1-CD1 4.17Å; F65-F150 HydrophobicContact CG-CD1 4.39Å; F65-F150 HydrophobicContact CG-CE1 4.49Å; F65-F150 HydrophobicContact CZ-CD1 4.43Å; G123-F150 CarbonylContact C-O 3.5Å; G123-F150 WeakPolarHBondContact CA-O 3.25Å; E124-F150 PolarHBondContact N-O 3.22Å; F148-F150 HydrophobicContact CB-CD1 3.95Å; F148-F150 HydrophobicContact CB-CE1 3.29Å; F148-F150 HydrophobicContact CB-CE2 4.14Å; F148-F150 HydrophobicContact CB-CZ 3.37Å; F148-F150 HydrophobicContact CD2-CE1 4.33Å; F148-F150 HydrophobicContact CD2-CE2 4.41Å; F148-F150 AromaticContact CD2-CZ 3.66Å; F148-F150 HydrophobicContact CD2-CZ 3.66Å; F148-F150 AromaticContact CG-CE1 3.95Å; F148-F150 HydrophobicContact CG-CE1 3.95Å; F148-F150 AromaticContact CG-CZ 3.76Å; F148-F150 HydrophobicContact CG-CZ 3.76Å; F148-F150 PolarHBondContact O-N 3.45Å; F150-D152 PolarHBondContact O-N 2.97Å; F150-N156 HydrophobicContact CD2-CB 4.26Å; F150-L159 HydrophobicContact CD1-CB 4.46Å; F150-L159 HydrophobicContact CE1-CB 4.23Å; F150-L159 HydrophobicContact CE2-CB 4.47Å; F150-L159 HydrophobicContact CZ-CB 4.26Å; F150-K160 HydrophobicContact CE2-CB 4.06Å; F150-K160 HydrophobicContact CZ-CB 4.12Å; F150-S163 WeakPolarHBondContact CE1-OG 3.46Å
151	T	97.6	Very high	97.4	Very high	57 Å²	57	34.2 Å²	34.2	35%	0.35	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	130	178.9	-50.1	0	0	0	0	110.8	E124 T153 N156	E124-T151 CarbonylContact O-C 3.48Å; E124-T151 WeakPolarHBondContact O-CA 3.34Å; T151-T153 HydrophobicContact CG2-CG2 3.78Å; T151-T153 PolarHBondContact O-N 3.33Å; T151-T153 VanDerWaalsContact O-N 3.11Å; T151-N156 PolarHBondContact O-ND2 2.94Å
152	D	97	Very high	97.5	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	14%	0.14	C	C	.	.			trans	-77.5	96.7	-178.8	-157.6	-26.3	0	0	0	110.8	L92 G123 E124 F150 K160	L92-D152 HydrophobicContact CD1-CB 3.52Å; G123-D152 PolarHBondContact N-OD2 2.81Å; E124-D152 PolarHBondContact O-N 3.08Å; F150-D152 PolarHBondContact O-N 2.97Å; D152-K160 WeakPolarHBondContact OD1-CE 3.35Å; D152-K160 IonicContact OD1-NZ 2.71Å; D152-K160 PolarHBondContact OD1-NZ 2.86Å; D152-K160 IonicContact OD2-NZ 3.46Å; D152-K160 PolarHBondContact OD2-NZ 3.02Å
153	T	95.7	Very high	97.5	Very high	26 Å²	26	25 Å²	25	16%	0.16	12%	0.121	C	C	.	.			trans	-133.9	160.5	-179.9	71.5	0	0	0	0	110.8	T151 H155 N156 L157	T151-T153 HydrophobicContact CG2-CG2 3.78Å; T151-T153 PolarHBondContact O-N 3.33Å; T151-T153 VanDerWaalsContact O-N 3.11Å; T153-H155 PolarHBondContact O-N 2.77Å; T153-N156 PolarHBondContact O-N 3.31Å; T153-N156 PolarHBondContact OG1-N 3.06Å; T153-N156 PolarHBondContact OG1-ND2 2.02Å; T153-L157 PolarHBondContact O-N 2.81Å
154	Y	92.2	Very high	97.6	Very high	168 Å²	168	21.9 Å²	21.9	66%	0.659	11%	0.107	S	C	*	.	G	3₁₀ helix	trans	-55.6	-39.9	173	-81	-84.1	0	0	0	112.3	N156 L157	Y154-N156 PolarHBondContact O-N 3.07Å; Y154-L157 HydrophobicContact CD1-CD1 3.91Å; Y154-L157 WeakPolarHBondContact O-CB 3.34Å; Y154-L157 WeakPolarHBondContact O-CG 2.96Å; Y154-L157 PolarHBondContact O-N 2.81Å
155	H	94.9	Very high	97.6	Very high	41 Å²	41	21.4 Å²	21.4	19%	0.19	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-70.3	-13	178.3	-69.2	90.5	0	0	0	113.6	T153 W269	T153-H155 PolarHBondContact O-N 2.77Å; H155-W269 AromaticContact CD2-CD1 3.95Å; H155-W269 AromaticContact CD2-CD2 3.59Å; H155-W269 AromaticContact CD2-CE2 3.67Å; H155-W269 AromaticContact CD2-CG 3.8Å; H155-W269 AromaticContact CD2-NE1 3.88Å; H155-W269 AromaticContact NE2-CE2 3.87Å; H155-W269 AromaticContact NE2-CZ2 3.98Å; H155-W269 WeakPolarHBondContact O-CB 3.21Å
156	N	97.2	Very high	97.6	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.053	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-103	9.4	176.1	-71.2	-19.6	0	0	0	113	F150 T151 T153 Y154 S158 L159 K160	F150-N156 HydrophobicContact CD2-CB 4.26Å; T151-N156 PolarHBondContact O-ND2 2.94Å; T153-N156 PolarHBondContact O-N 3.31Å; T153-N156 PolarHBondContact OG1-N 3.06Å; T153-N156 PolarHBondContact OG1-ND2 2.02Å; Y154-N156 PolarHBondContact O-N 3.07Å; N156-S158 VanDerWaalsContact C-N 3.3Å; N156-S158 PolarHBondContact O-N 3.06Å; N156-L159 HydrophobicContact CB-CD1 4.38Å; N156-L159 WeakPolarHBondContact O-CB 3.1Å; N156-L159 PolarHBondContact O-N 3.26Å; N156-L159 VanDerWaalsContact O-N 3.1Å; N156-K160 PolarHBondContact O-N 2.86Å
157	L	98.1	Very high	97.6	Very high	33 Å²	33	23 Å²	23	17%	0.173	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-38.3	179.3	-72.1	175.1	0	0	0	112.6	T153 Y154 L159 K160 A161 D271	T153-L157 PolarHBondContact O-N 2.81Å; Y154-L157 HydrophobicContact CD1-CD1 3.91Å; Y154-L157 WeakPolarHBondContact O-CB 3.34Å; Y154-L157 WeakPolarHBondContact O-CG 2.96Å; Y154-L157 PolarHBondContact O-N 2.81Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 2.82Å; L157-K160 CarbonylContact O-C 3.3Å; L157-K160 WeakPolarHBondContact O-CB 3.33Å; L157-K160 PolarHBondContact O-N 2.84Å; L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 2.8Å; L157-D271 HydrophobicContact CB-CB 3.86Å
158	S	98.4	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-37.5	174.7	-72.7	0	0	0	0	112.5	N156 A161 I162 L268 W269 D271	N156-S158 VanDerWaalsContact C-N 3.3Å; N156-S158 PolarHBondContact O-N 3.06Å; S158-A161 PolarHBondContact O-N 2.87Å; S158-A161 VanDerWaalsContact O-N 3.16Å; S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å; S158-L268 WeakPolarHBondContact CB-O 3.45Å; S158-L268 PolarHBondContact OG-O 3.19Å; S158-W269 WeakPolarHBondContact CB-O 3.18Å; S158-W269 PolarHBondContact N-O 3.24Å; S158-W269 VanDerWaalsContact OG-C 3.23Å; S158-W269 PolarHBondContact OG-O 3.18Å; S158-D271 WeakPolarHBondContact OG-CA 3.22Å; S158-D271 PolarHBondContact OG-N 3.38Å
159	L	98.5	Very high	97.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-66.6	-43.6	174.6	-54.8	-176	0	0	0	111.2	Y29 L53 F65 F150 N156 L157 A161 I162 S163 F267	Y29-L159 HydrophobicContact CD1-CD1 4.42Å; L53-L159 HydrophobicContact CD1-CD2 3.71Å; L53-L159 HydrophobicContact CD2-CD2 4.31Å; F65-L159 HydrophobicContact CE2-CB 4.32Å; F65-L159 HydrophobicContact CE2-CD2 4.28Å; F65-L159 HydrophobicContact CZ-CB 4.32Å; F65-L159 HydrophobicContact CZ-CD1 4.11Å; F65-L159 HydrophobicContact CZ-CD2 4.03Å; F65-L159 HydrophobicContact CZ-CG 4.38Å; F150-L159 HydrophobicContact CD1-CB 4.46Å; F150-L159 HydrophobicContact CE1-CB 4.23Å; F150-L159 HydrophobicContact CE2-CB 4.47Å; F150-L159 HydrophobicContact CZ-CB 4.26Å; N156-L159 HydrophobicContact CB-CD1 4.38Å; N156-L159 WeakPolarHBondContact O-CB 3.1Å; N156-L159 PolarHBondContact O-N 3.26Å; N156-L159 VanDerWaalsContact O-N 3.1Å; L157-L159 VanDerWaalsContact C-N 3.33Å; L157-L159 PolarHBondContact O-N 2.82Å; L159-A161 PolarHBondContact O-N 2.82Å; L159-I162 HydrophobicContact CD2-CD1 4.43Å; L159-I162 PolarHBondContact O-N 2.74Å; L159-S163 VanDerWaalsContact O-CB 3.29Å; L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 3.31Å; L159-S163 PolarHBondContact O-OG 3.23Å; L159-F267 HydrophobicContact CD2-CE2 3.67Å; L159-F267 HydrophobicContact CD2-CZ 3.82Å; L159-F267 HydrophobicContact CG-CE2 4.43Å; L159-F267 HydrophobicContact CG-CZ 4.2Å
160	K	98.7	Very high	97.6	Very high	4 Å²	4	27 Å²	27	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-54.8	-40.5	169.7	-173.5	178.9	-70.1	-173.2	0	111.1	T90 A121 F148 F150 D152 N156 L157 S163 W164	T90-K160 PolarHBondContact O-NZ 2.8Å; T90-K160 VanDerWaalsContact O-NZ 3.13Å; A121-K160 HydrophobicContact CB-CD 4.4Å; A121-K160 HydrophobicContact CB-CG 4.34Å; F148-K160 HydrophobicContact CD2-CG 4.4Å; F148-K160 HydrophobicContact CE2-CG 4.18Å; F150-K160 HydrophobicContact CE2-CB 4.06Å; F150-K160 HydrophobicContact CZ-CB 4.12Å; D152-K160 WeakPolarHBondContact OD1-CE 3.35Å; D152-K160 IonicContact OD1-NZ 2.71Å; D152-K160 PolarHBondContact OD1-NZ 2.86Å; D152-K160 IonicContact OD2-NZ 3.46Å; D152-K160 PolarHBondContact OD2-NZ 3.02Å; N156-K160 PolarHBondContact O-N 2.86Å; L157-K160 CarbonylContact O-C 3.3Å; L157-K160 WeakPolarHBondContact O-CB 3.33Å; L157-K160 PolarHBondContact O-N 2.84Å; K160-S163 PolarHBondContact O-N 2.8Å; K160-W164 PolarHBondContact O-N 3.14Å
161	A	98.8	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-47.7	-178.7	0	0	0	0	0	114.7	L157 S158 L159 S163 W164 L165 D271 I275	L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 2.8Å; S158-A161 PolarHBondContact O-N 2.87Å; S158-A161 VanDerWaalsContact O-N 3.16Å; L159-A161 PolarHBondContact O-N 2.82Å; A161-S163 PolarHBondContact O-N 2.96Å; A161-W164 VanDerWaalsContact CA-CD1 3.46Å; A161-W164 HydrophobicContact CB-CZ2 4.48Å; A161-W164 PolarHBondContact O-N 3.25Å; A161-L165 WeakPolarHBondContact O-CB 3.35Å; A161-L165 WeakPolarHBondContact O-CG 3.45Å; A161-L165 PolarHBondContact O-N 2.98Å; A161-D271 HydrophobicContact CB-CB 4.19Å; A161-I275 HydrophobicContact CB-CD1 3.84Å; A161-I275 HydrophobicContact CB-CG1 3.6Å
162	I	98.7	Very high	97.7	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-55.6	-41	171.5	-63.3	160.9	0	0	0	110.4	V51 L53 S158 L159 L165 N166 L259 V262 Y274 I275	V51-I162 HydrophobicContact CG1-CG2 4.26Å; V51-I162 HydrophobicContact CG2-CG2 4.08Å; L53-I162 HydrophobicContact CD2-CD1 4Å; S158-I162 VanDerWaalsContact O-CG1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.34Å; S158-I162 PolarHBondContact O-N 3.24Å; L159-I162 HydrophobicContact CD2-CD1 4.43Å; L159-I162 PolarHBondContact O-N 2.74Å; I162-L165 WeakPolarHBondContact O-CB 3.25Å; I162-L165 PolarHBondContact O-N 2.87Å; I162-N166 PolarHBondContact O-N 2.87Å; I162-L259 HydrophobicContact CG2-CD2 4.27Å; I162-V262 HydrophobicContact CD1-CG1 4.04Å; I162-V262 HydrophobicContact CD1-CG2 4.38Å; I162-V262 HydrophobicContact CG1-CG2 4.11Å; I162-V262 HydrophobicContact CG2-CG2 4.43Å; I162-Y274 HydrophobicContact CD1-CE1 4.06Å; I162-Y274 HydrophobicContact CG1-CE1 4.46Å; I162-I275 HydrophobicContact CG1-CD1 4.11Å
163	S	98.7	Very high	97.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-42.6	-174.8	-58.5	0	0	0	0	113	F148 F150 L159 K160 A161 L165 N166 W167	F148-S163 VanDerWaalsContact CD1-CB 3.5Å; F148-S163 VanDerWaalsContact CE1-CB 3.44Å; F150-S163 WeakPolarHBondContact CE1-OG 3.46Å; L159-S163 VanDerWaalsContact O-CB 3.29Å; L159-S163 WeakPolarHBondContact O-CB 3.26Å; L159-S163 PolarHBondContact O-N 3.31Å; L159-S163 PolarHBondContact O-OG 3.23Å; K160-S163 PolarHBondContact O-N 2.8Å; A161-S163 PolarHBondContact O-N 2.96Å; S163-L165 VanDerWaalsContact C-N 3.35Å; S163-N166 PolarHBondContact O-N 2.86Å; S163-W167 WeakPolarHBondContact O-CB 3.47Å; S163-W167 PolarHBondContact O-N 2.92Å
164	W	98.7	Very high	97.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-72.7	-28.4	174.4	71.8	-113.3	0	0	0	112.4	I87 H89 F148 K160 A161 N166 W167 A168 I178 K180 Y248 L250	I87-W164 HydrophobicContact CB-CD2 4.39Å; I87-W164 HydrophobicContact CG1-CD2 4.15Å; I87-W164 HydrophobicContact CG1-CE3 3.85Å; I87-W164 HydrophobicContact CG1-CZ3 4.48Å; I87-W164 HydrophobicContact CG2-CB 3.82Å; I87-W164 HydrophobicContact CG2-CD2 4Å; I87-W164 HydrophobicContact CG2-CG 3.63Å; H89-W164 AromaticContact CD2-NE1 3.98Å; H89-W164 AromaticContact CE1-NE1 3.73Å; H89-W164 AromaticContact NE2-CD1 3.18Å; H89-W164 AromaticContact NE2-NE1 2.92Å; H89-W164 PolarHBondContact NE2-NE1 3.33Å; F148-W164 HydrophobicContact CZ-CB 4.12Å; K160-W164 PolarHBondContact O-N 3.14Å; A161-W164 VanDerWaalsContact CA-CD1 3.46Å; A161-W164 HydrophobicContact CB-CZ2 4.48Å; A161-W164 PolarHBondContact O-N 3.25Å; W164-N166 VanDerWaalsContact C-N 3.35Å; W164-W167 PolarHBondContact O-N 2.73Å; W164-A168 WeakPolarHBondContact O-CB 3.24Å; W164-A168 PolarHBondContact O-N 2.71Å; W164-I178 HydrophobicContact CE3-CD1 4.5Å; W164-I178 HydrophobicContact CE3-CG2 4.23Å; W164-I178 HydrophobicContact CH2-CG2 4.34Å; W164-I178 HydrophobicContact CZ3-CD1 3.87Å; W164-I178 HydrophobicContact CZ3-CG2 3.69Å; W164-K180 HydrophobicContact CZ2-CB 4.42Å; W164-K180 HydrophobicContact CZ2-CG 4.31Å; W164-Y248 HydrophobicContact CH2-CE2 4.23Å; W164-Y248 HydrophobicContact CZ2-CE2 4.12Å; W164-Y248 WeakPolarHBondContact CZ2-OH 3.48Å; W164-L250 HydrophobicContact CH2-CD2 4.43Å
165	L	98.8	Very high	98	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-47.5	171.7	-79.8	165.7	0	0	0	110.2	A161 I162 S163 A168 A169 L250 V255 L258 L259 I275	A161-L165 WeakPolarHBondContact O-CB 3.35Å; A161-L165 WeakPolarHBondContact O-CG 3.45Å; A161-L165 PolarHBondContact O-N 2.98Å; I162-L165 WeakPolarHBondContact O-CB 3.25Å; I162-L165 PolarHBondContact O-N 2.87Å; S163-L165 VanDerWaalsContact C-N 3.35Å; L165-A168 PolarHBondContact O-N 2.97Å; L165-A169 WeakPolarHBondContact O-CB 3.39Å; L165-A169 PolarHBondContact O-N 2.71Å; L165-L250 HydrophobicContact CD2-CD2 3.65Å; L165-V255 HydrophobicContact CB-CG1 4.3Å; L165-V255 HydrophobicContact CD2-CB 4.42Å; L165-V255 HydrophobicContact CD2-CG1 3.94Å; L165-V255 HydrophobicContact CD2-CG2 4.15Å; L165-V255 WeakPolarHBondContact O-CG1 3.39Å; L165-L258 HydrophobicContact CD2-CD1 4.47Å; L165-L259 HydrophobicContact CB-CD2 3.8Å; L165-L259 HydrophobicContact CB-CG 4.22Å; L165-I275 HydrophobicContact CD1-CD1 4.36Å; L165-I275 HydrophobicContact CD1-CG2 4.07Å
166	N	98.5	Very high	98	Very high	38 Å²	38	25.9 Å²	25.9	20%	0.203	14%	0.135	C	C	.	.	H	α-helix	trans	-63	-43.3	175.9	-171.5	69.3	0	0	0	111.8	F49 Y67 I162 S163 W164 A168 A169 K170 L259	F49-N166 WeakPolarHBondContact CB-ND2 3.41Å; F49-N166 WeakPolarHBondContact CD1-ND2 3.32Å; F49-N166 HydrophobicContact CD2-CB 4.12Å; F49-N166 VanDerWaalsContact CD2-ND2 3.26Å; F49-N166 WeakPolarHBondContact CD2-ND2 3.24Å; F49-N166 HydrophobicContact CE2-CB 4.02Å; F49-N166 WeakPolarHBondContact CG-ND2 3Å; Y67-N166 PolarHBondContact OH-ND2 3.35Å; I162-N166 PolarHBondContact O-N 2.87Å; S163-N166 PolarHBondContact O-N 2.86Å; W164-N166 VanDerWaalsContact C-N 3.35Å; N166-A168 PolarHBondContact O-N 3.11Å; N166-A169 PolarHBondContact O-N 3.01Å; N166-K170 WeakPolarHBondContact O-CB 3.37Å; N166-K170 PolarHBondContact O-N 3.34Å; N166-L259 HydrophobicContact CB-CD2 4.29Å
167	W	98.7	Very high	98	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-47.2	175.2	176.7	85.5	0	0	0	111.8	Y67 L70 F74 I85 I87 V119 V146 S163 W164 K170 Y171 C172	Y67-W167 HydrophobicContact CE1-CB 3.85Å; Y67-W167 HydrophobicContact CE1-CG 4.39Å; Y67-W167 WeakPolarHBondContact OH-CA 3.22Å; Y67-W167 PolarHBondContact OH-N 2.65Å; L70-W167 VanDerWaalsContact CD1-NE1 3.27Å; F74-W167 HydrophobicContact CB-CZ2 4.24Å; F74-W167 AromaticContact CD1-CH2 3.85Å; F74-W167 HydrophobicContact CD1-CH2 3.85Å; F74-W167 AromaticContact CD1-CZ2 3.94Å; F74-W167 HydrophobicContact CD1-CZ2 3.94Å; F74-W167 HydrophobicContact CE1-CH2 4.13Å; F74-W167 HydrophobicContact CG-CH2 4.49Å; F74-W167 HydrophobicContact CG-CZ2 4.14Å; I85-W167 HydrophobicContact CD1-CH2 4.13Å; I85-W167 HydrophobicContact CD1-CZ3 4.28Å; I85-W167 HydrophobicContact CG1-CH2 4.18Å; I85-W167 HydrophobicContact CG1-CZ3 3.86Å; I87-W167 HydrophobicContact CD1-CE3 4.07Å; I87-W167 HydrophobicContact CD1-CZ3 3.7Å; V119-W167 HydrophobicContact CB-CH2 4.05Å; V119-W167 HydrophobicContact CB-CZ3 4.46Å; V119-W167 HydrophobicContact CG1-CE3 4.37Å; V119-W167 HydrophobicContact CG1-CH2 3.77Å; V119-W167 HydrophobicContact CG1-CZ3 3.67Å; V119-W167 HydrophobicContact CG2-CH2 4.18Å; V119-W167 HydrophobicContact CG2-CZ2 4.23Å; V146-W167 HydrophobicContact CG1-CG 4.16Å; V146-W167 HydrophobicContact CG2-CD2 4.09Å; V146-W167 HydrophobicContact CG2-CG 4.25Å; V146-W167 HydrophobicContact CG2-CZ2 3.96Å; V146-W167 VanDerWaalsContact CG2-NE1 3.35Å; S163-W167 WeakPolarHBondContact O-CB 3.47Å; S163-W167 PolarHBondContact O-N 2.92Å; W164-W167 PolarHBondContact O-N 2.73Å; W167-K170 PolarHBondContact O-N 3.25Å; W167-Y171 AromaticContact CD1-CD2 3.32Å; W167-Y171 AromaticContact CD1-CE2 3.93Å; W167-Y171 AromaticContact CG-CD2 3.99Å; W167-Y171 HydrophobicContact CG-CD2 3.99Å; W167-Y171 AromaticContact NE1-CD2 3.58Å; W167-Y171 WeakPolarHBondContact O-CB 3.17Å; W167-Y171 WeakPolarHBondContact O-CD2 3.44Å; W167-Y171 PolarHBondContact O-N 3.42Å; W167-C172 VanDerWaalsContact CH2-SG 3.53Å
168	A	98.6	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-41.6	-179.2	0	0	0	0	0	111.6	W164 L165 N166 K170 C172 I178 M252	W164-A168 WeakPolarHBondContact O-CB 3.24Å; W164-A168 PolarHBondContact O-N 2.71Å; L165-A168 PolarHBondContact O-N 2.97Å; N166-A168 PolarHBondContact O-N 3.11Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 2.8Å; A168-C172 CarbonylContact O-C 3.52Å; A168-C172 VanDerWaalsContact O-CA 3.31Å; A168-C172 WeakPolarHBondContact O-CA 3.39Å; A168-C172 PolarHBondContact O-N 2.69Å; A168-I178 HydrophobicContact CB-CD1 3.52Å; A168-I178 HydrophobicContact CB-CG1 4.47Å; A168-M252 HydrophobicContact CB-CE 4.41Å; A168-M252 WeakPolarHBondContact O-CE 3.45Å
169	A	98.1	Very high	98.1	Very high	28 Å²	28	24.4 Å²	24.4	23%	0.231	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-43.7	175	0	0	0	0	0	112	L165 N166 V255 L259	L165-A169 WeakPolarHBondContact O-CB 3.39Å; L165-A169 PolarHBondContact O-N 2.71Å; N166-A169 PolarHBondContact O-N 3.01Å; A169-V255 HydrophobicContact CB-CG1 3.88Å; A169-L259 HydrophobicContact CB-CD1 4.18Å
170	K	97.7	Very high	98.1	Very high	106 Å²	106	24.4 Å²	24.4	46%	0.461	13%	0.126	S	C	.	.	H	α-helix	trans	-77.7	-48.8	-176.4	-174.3	173.4	179.8	-166.6	0	113	N166 W167 A168	N166-K170 WeakPolarHBondContact O-CB 3.37Å; N166-K170 PolarHBondContact O-N 3.34Å; W167-K170 PolarHBondContact O-N 3.25Å; A168-K170 VanDerWaalsContact C-N 3.32Å; A168-K170 PolarHBondContact O-N 2.8Å
171	Y	98.1	Very high	98.1	Very high	10 Å²	10	24.2 Å²	24.2	4%	0.039	13%	0.125	C	C	.	.	H	α-helix	trans	-102.9	-15.2	-166.9	-62.4	-69	0	0	0	113.6	Y67 L70 E72 C75 Q76 W167 P173	Y67-Y171 HydrophobicContact CD2-CE2 4.27Å; Y67-Y171 AromaticContact CE2-CE2 3.79Å; Y67-Y171 HydrophobicContact CE2-CE2 3.79Å; L70-Y171 HydrophobicContact CD1-CD2 4.07Å; L70-Y171 HydrophobicContact CD1-CE2 3.88Å; L70-Y171 HydrophobicContact CD2-CE1 4.41Å; L70-Y171 HydrophobicContact CD2-CE2 3.87Å; L70-Y171 WeakPolarHBondContact CD2-OH 3.38Å; E72-Y171 HydrophobicContact CB-CD1 4.36Å; E72-Y171 HydrophobicContact CB-CE1 3.87Å; E72-Y171 HydrophobicContact CG-CE1 4.1Å; E72-Y171 WeakPolarHBondContact O-CD1 3.26Å; E72-Y171 PolarHBondContact OE1-OH 2.91Å; C75-Y171 VanDerWaalsContact CB-O 3.28Å; C75-Y171 WeakPolarHBondContact CB-O 3.21Å; Q76-Y171 PolarHBondContact NE2-O 2.98Å; Q76-Y171 PolarHBondContact OE1-O 2.93Å; W167-Y171 AromaticContact CD1-CD2 3.32Å; W167-Y171 AromaticContact CD1-CE2 3.93Å; W167-Y171 AromaticContact CG-CD2 3.99Å; W167-Y171 HydrophobicContact CG-CD2 3.99Å; W167-Y171 AromaticContact NE1-CD2 3.58Å; W167-Y171 WeakPolarHBondContact O-CB 3.17Å; W167-Y171 WeakPolarHBondContact O-CD2 3.44Å; W167-Y171 PolarHBondContact O-N 3.42Å; Y171-P173 VanDerWaalsContact C-CD 3.44Å
172	C	98.2	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.			trans	-132.9	46.4	179.1	-62.7	0	0	0	0	113.9	C75 W167 A168 N174 A175	C75-C172 HydrophobicContact CB-CB 3.77Å; C75-C172 WeakPolarHBondContact CB-SG 3.45Å; C75-C172 WeakPolarHBondContact SG-CB 3.43Å; C75-C172 CovalentContact SG-SG 2.04Å; C75-C172 PolarHBondContact SG-SG 3.18Å; W167-C172 VanDerWaalsContact CH2-SG 3.53Å; A168-C172 CarbonylContact O-C 3.52Å; A168-C172 VanDerWaalsContact O-CA 3.31Å; A168-C172 WeakPolarHBondContact O-CA 3.39Å; A168-C172 PolarHBondContact O-N 2.69Å; C172-N174 PolarHBondContact O-N 2.68Å; C172-N174 VanDerWaalsContact O-N 3.1Å; C172-A175 WeakPolarHBondContact O-CB 3.39Å; C172-A175 PolarHBondContact O-N 2.89Å; C172-A175 VanDerWaalsContact O-N 3.16Å
173	P	96.7	Very high	98	Very high	68 Å²	68	26.5 Å²	26.5	44%	0.442	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.9	-173.8	27.1	-36.5	0	0	0	114	Y171	Y171-P173 VanDerWaalsContact C-CD 3.44Å
174	N	95.6	Very high	97.8	Very high	119 Å²	119	27.8 Å²	27.8	64%	0.636	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.1	-177.1	-66	-28.1	0	0	0	113.9	C172	C172-N174 PolarHBondContact O-N 2.68Å; C172-N174 VanDerWaalsContact O-N 3.1Å
175	A	97.4	Very high	97.6	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.145	C	C	.	.			trans	-59.8	142.5	173.5	0	0	0	0	0	109.8	I82 I85 C172 M252	I82-A175 HydrophobicContact CG2-CB 4.1Å; I85-A175 HydrophobicContact CB-CB 4.48Å; I85-A175 HydrophobicContact CG2-CB 3.95Å; C172-A175 WeakPolarHBondContact O-CB 3.39Å; C172-A175 PolarHBondContact O-N 2.89Å; C172-A175 VanDerWaalsContact O-N 3.16Å; A175-M252 WeakPolarHBondContact O-CB 3.13Å; A175-M252 VanDerWaalsContact O-CG 3.26Å; A175-M252 WeakPolarHBondContact O-CG 3.49Å
176	K	96.1	Very high	97.4	Very high	116 Å²	116	28.2 Å²	28.2	50%	0.504	15%	0.147	S	C	.	.	S	Bend	trans	-88.1	-36	177.6	-63.3	-57.7	-176.7	-173.7	0	111.8	F83 M252	F83-K176 HydrophobicContact CD2-CB 3.72Å; F83-K176 HydrophobicContact CD2-CG 3.68Å; F83-K176 HydrophobicContact CE2-CB 3.68Å; F83-K176 HydrophobicContact CE2-CG 3.84Å; F83-K176 PolarHBondContact O-N 2.7Å; K176-M252 PolarHBondContact O-N 3.49Å; K176-M252 VanDerWaalsContact O-N 3.07Å
177	Y	97.6	Very high	97.2	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.043	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	179.1	-56.1	-86.6	0	0	0	111	F83 V84 I85 F196 Y210 L250 T251	F83-Y177 AromaticContact CE2-CD2 3.98Å; F83-Y177 HydrophobicContact CE2-CD2 3.98Å; F83-Y177 AromaticContact CE2-CE2 3.81Å; F83-Y177 HydrophobicContact CE2-CE2 3.81Å; F83-Y177 AromaticContact CZ-CD2 3.93Å; F83-Y177 HydrophobicContact CZ-CD2 3.93Å; F83-Y177 AromaticContact CZ-CE2 3.69Å; F83-Y177 HydrophobicContact CZ-CE2 3.69Å; F83-Y177 PolarHBondContact O-N 2.99Å; V84-Y177 WeakPolarHBondContact CA-O 3.25Å; V84-Y177 HydrophobicContact CG2-CD2 4.47Å; I85-Y177 PolarHBondContact N-O 2.85Å; Y177-F196 AromaticContact CD1-CD1 3.75Å; Y177-F196 HydrophobicContact CD1-CD1 3.75Å; Y177-F196 AromaticContact CD1-CE1 3.8Å; Y177-F196 HydrophobicContact CD1-CE1 3.8Å; Y177-F196 HydrophobicContact CD2-CB 4.04Å; Y177-F196 AromaticContact CD2-CD1 3.82Å; Y177-F196 HydrophobicContact CD2-CD1 3.82Å; Y177-F196 HydrophobicContact CD2-CE1 4.42Å; Y177-F196 AromaticContact CD2-CG 3.95Å; Y177-F196 HydrophobicContact CD2-CG 3.95Å; Y177-F196 AromaticContact CE1-CD1 4Å; Y177-F196 HydrophobicContact CE1-CD1 4Å; Y177-F196 HydrophobicContact CE1-CE1 4.4Å; Y177-F196 HydrophobicContact CE2-CB 3.99Å; Y177-F196 HydrophobicContact CE2-CD1 4.09Å; Y177-F196 HydrophobicContact CE2-CG 4.28Å; Y177-F196 AromaticContact CG-CD1 3.64Å; Y177-F196 HydrophobicContact CG-CD1 3.64Å; Y177-F196 AromaticContact CG-CE1 3.8Å; Y177-F196 HydrophobicContact CG-CE1 3.8Å; Y177-F196 HydrophobicContact CG-CG 4.15Å; Y177-F196 HydrophobicContact CG-CZ 4.38Å; Y177-Y210 HydrophobicContact CE1-CE2 4.23Å; Y177-L250 CarbonylContact C-O 3.36Å; Y177-L250 WeakPolarHBondContact CA-O 3.14Å; Y177-T251 HydrophobicContact CD1-CG2 4.17Å; Y177-T251 HydrophobicContact CE1-CG2 3.93Å
178	I	98.5	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.6	164.7	-54.2	-178.1	0	0	0	107.5	I85 I87 W164 A168 S249 L250 M252 V255	I85-I178 HydrophobicContact CG2-CB 4.22Å; I85-I178 HydrophobicContact CG2-CG1 3.75Å; I85-I178 HydrophobicContact CG2-CG2 4.24Å; I85-I178 CarbonylContact O-C 3.59Å; I85-I178 WeakPolarHBondContact O-CA 3.36Å; I87-I178 HydrophobicContact CD1-CG2 4.41Å; I87-I178 HydrophobicContact CG1-CG2 3.54Å; W164-I178 HydrophobicContact CE3-CD1 4.5Å; W164-I178 HydrophobicContact CE3-CG2 4.23Å; W164-I178 HydrophobicContact CH2-CG2 4.34Å; W164-I178 HydrophobicContact CZ3-CD1 3.87Å; W164-I178 HydrophobicContact CZ3-CG2 3.69Å; A168-I178 HydrophobicContact CB-CD1 3.52Å; A168-I178 HydrophobicContact CB-CG1 4.47Å; I178-S249 CarbonylContact O-C 3.48Å; I178-S249 VanDerWaalsContact O-CA 3.26Å; I178-S249 WeakPolarHBondContact O-CA 3.4Å; I178-L250 HydrophobicContact CB-CB 4.36Å; I178-L250 PolarHBondContact N-O 3.03Å; I178-L250 PolarHBondContact O-N 3.33Å; I178-M252 HydrophobicContact CD1-SD 3.81Å; I178-M252 HydrophobicContact CG1-SD 3.96Å; I178-V255 HydrophobicContact CD1-CG2 3.56Å
179	L	98.7	Very high	96.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102.6	173.5	175.2	61.2	0	0	0	109.2	V84 I85 A86 I87 V181 V187 I192 S249 F310	V84-L179 HydrophobicContact CG1-CB 3.99Å; I85-L179 PolarHBondContact O-N 3.29Å; A86-L179 CarbonylContact C-O 3.47Å; A86-L179 VanDerWaalsContact CA-O 3.24Å; A86-L179 WeakPolarHBondContact CA-O 3.37Å; A86-L179 HydrophobicContact CB-CB 4.47Å; I87-L179 PolarHBondContact N-O 2.94Å; L179-V181 HydrophobicContact CD1-CG2 4.03Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 3.63Å; L179-V187 HydrophobicContact CD2-CG1 4.43Å; L179-I192 HydrophobicContact CD2-CG1 4.19Å; L179-I192 HydrophobicContact CD2-CG2 4.42Å; L179-S249 WeakPolarHBondContact CD1-OG 3.5Å; L179-F310 HydrophobicContact CD1-CE1 3.83Å; L179-F310 HydrophobicContact CD1-CZ 3.74Å
180	K	98.8	Very high	96.6	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.1	172.4	-173.1	-85.7	-160.2	-177.1	0	109.5	I87 W164 D182 G245 S247 Y248 D271	I87-K180 WeakPolarHBondContact O-CA 3.43Å; W164-K180 HydrophobicContact CZ2-CB 4.42Å; W164-K180 HydrophobicContact CZ2-CG 4.31Å; K180-D182 IonicContact NZ-OD1 3.33Å; K180-D182 PolarHBondContact NZ-OD1 2.9Å; K180-G245 PolarHBondContact NZ-O 3.21Å; K180-S247 CarbonylContact O-C 3.51Å; K180-S247 WeakPolarHBondContact O-CA 3.42Å; K180-S247 VanDerWaalsContact O-CB 3.28Å; K180-S247 WeakPolarHBondContact O-CB 3.46Å; K180-Y248 HydrophobicContact CB-CD1 4.44Å; K180-Y248 HydrophobicContact CB-CD2 3.8Å; K180-Y248 HydrophobicContact CB-CE1 4.14Å; K180-Y248 HydrophobicContact CB-CE2 3.42Å; K180-Y248 VanDerWaalsContact CB-CE2 3.42Å; K180-Y248 HydrophobicContact CB-CG 4.3Å; K180-Y248 HydrophobicContact CD-CD1 4.22Å; K180-Y248 HydrophobicContact CD-CE1 3.64Å; K180-Y248 HydrophobicContact CD-CE2 4.5Å; K180-Y248 HydrophobicContact CG-CE1 4Å; K180-Y248 HydrophobicContact CG-CE2 3.96Å; K180-Y248 PolarHBondContact N-O 2.97Å; K180-Y248 PolarHBondContact O-N 3.4Å; K180-D271 WeakPolarHBondContact CE-OD2 3.43Å; K180-D271 IonicContact NZ-OD2 2.78Å; K180-D271 PolarHBondContact NZ-OD2 2.93Å
181	V	98.6	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139	-179.8	-167	0	0	0	0	110.1	I87 V88 H89 W105 L179 V185 V187	I87-V181 PolarHBondContact O-N 3.3Å; V88-V181 CarbonylContact C-O 3.49Å; V88-V181 VanDerWaalsContact CA-O 3.24Å; V88-V181 WeakPolarHBondContact CA-O 3.42Å; H89-V181 PolarHBondContact N-O 2.86Å; W105-V181 HydrophobicContact CH2-CB 4.25Å; W105-V181 HydrophobicContact CH2-CG1 4.41Å; W105-V181 HydrophobicContact CH2-CG2 4.17Å; W105-V181 HydrophobicContact CZ2-CB 4.49Å; W105-V181 HydrophobicContact CZ2-CG1 4.23Å; L179-V181 HydrophobicContact CD1-CG2 4.03Å; L179-V181 HydrophobicContact CD2-CG2 4.1Å; L179-V181 HydrophobicContact CG-CG2 3.63Å; V181-V185 HydrophobicContact CG1-CB 3.64Å; V181-V185 HydrophobicContact CG1-CG1 3.82Å; V181-V187 HydrophobicContact CG1-CG2 3.77Å; V181-V187 HydrophobicContact CG2-CG2 4.12Å
182	D	97.9	Very high	96.2	Very high	40 Å²	40	22.2 Å²	22.2	21%	0.214	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	149.4	168.3	-66.4	-16.5	0	0	0	111	K180 D184 V185 S246	K180-D182 IonicContact NZ-OD1 3.33Å; K180-D182 PolarHBondContact NZ-OD1 2.9Å; D182-D184 WeakPolarHBondContact CB-OD1 3.41Å; D182-D184 PolarHBondContact O-N 3.06Å; D182-V185 HydrophobicContact CB-CG2 4.21Å; D182-V185 PolarHBondContact O-N 3.1Å; D182-S246 PolarHBondContact N-O 3.46Å; D182-S246 WeakPolarHBondContact OD2-CA 3.42Å
183	D	97.6	Very high	96	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.059	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-5	-178.6	74.1	19.1	0	0	0	114.8	V88 H89 T90 N94 R97 I101 R320	V88-D183 HydrophobicContact CG1-CB 3.9Å; H89-D183 WeakPolarHBondContact O-CB 3.44Å; H89-D183 PolarHBondContact O-N 3.01Å; T90-D183 WeakPolarHBondContact CA-OD2 3.27Å; T90-D183 WeakPolarHBondContact CB-OD2 3.01Å; T90-D183 PolarHBondContact OG1-OD2 3.05Å; N94-D183 WeakPolarHBondContact CB-OD2 3.32Å; N94-D183 PolarHBondContact ND2-OD2 2.93Å; R97-D183 HydrophobicContact CB-CB 4.3Å; R97-D183 VanDerWaalsContact CD-CG 3.45Å; R97-D183 WeakPolarHBondContact CD-OD1 3.3Å; R97-D183 IonicContact CZ-OD1 2.83Å; R97-D183 IonicContact NE-OD1 3.75Å; R97-D183 IonicContact NH1-OD1 3.52Å; R97-D183 PolarHBondContact NH1-OD1 3Å; I101-D183 HydrophobicContact CD1-CB 4.15Å; D183-R320 PolarHBondContact O-NH1 2.82Å
184	D	95	Very high	95.8	Very high	27 Å²	27	25.3 Å²	25.3	14%	0.144	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	9.3	174.8	71.5	-4.3	0	0	0	115.2	D182 H312 L313 R320	D182-D184 WeakPolarHBondContact CB-OD1 3.41Å; D182-D184 PolarHBondContact O-N 3.06Å; D184-H312 VanDerWaalsContact CG-NE2 3.31Å; D184-H312 IonicContact OD1-CD2 2.82Å; D184-H312 PolarHBondContact OD1-CD2 3.37Å; D184-H312 IonicContact OD1-NE2 3.85Å; D184-H312 PolarHBondContact OD1-NE2 2.69Å; D184-H312 IonicContact OD2-CD2 2.67Å; D184-H312 IonicContact OD2-CE1 3.46Å; D184-H312 IonicContact OD2-NE2 3.15Å; D184-H312 PolarHBondContact OD2-NE2 2.95Å; D184-L313 CarbonylContact O-C 3.53Å; D184-L313 WeakPolarHBondContact O-CA 3.34Å; D184-L313 PolarHBondContact O-N 3.15Å; D184-R320 VanDerWaalsContact CA-CZ 3.49Å; D184-R320 VanDerWaalsContact CA-NH2 3.27Å
185	V	95.4	Very high	95.6	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.9	176	175.6	0	0	0	0	110.8	V181 D182 V187 S246 F310 V311	V181-V185 HydrophobicContact CG1-CB 3.64Å; V181-V185 HydrophobicContact CG1-CG1 3.82Å; D182-V185 HydrophobicContact CB-CG2 4.21Å; D182-V185 PolarHBondContact O-N 3.1Å; V185-V187 HydrophobicContact CG1-CG2 4.5Å; V185-S246 WeakPolarHBondContact CG2-O 3.24Å; V185-F310 HydrophobicContact CG1-CB 4.34Å; V185-F310 HydrophobicContact CG1-CD1 4.33Å; V185-V311 WeakPolarHBondContact CA-O 3.34Å
186	H	93.6	Very high	95.4	Very high	9 Å²	9	21.5 Å²	21.5	4%	0.042	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.4	166	171.7	88.8	0	0	0	110	F310 V311 L313 L323 W324 T327	H186-F310 WeakPolarHBondContact O-CA 3.37Å; H186-V311 HydrophobicContact CB-CB 4.33Å; H186-V311 PolarHBondContact N-O 3.07Å; H186-V311 PolarHBondContact O-N 3.19Å; H186-L313 HydrophobicContact CB-CD1 4.02Å; H186-L323 HydrophobicContact CB-CD2 3.81Å; H186-L323 VanDerWaalsContact CD2-CD2 3.43Å; H186-L323 WeakPolarHBondContact CD2-CD2 3.32Å; H186-L323 VanDerWaalsContact CG-CD2 3.41Å; H186-W324 AromaticContact CE1-CE3 3.85Å; H186-T327 PolarHBondContact CE1-OG1 3.2Å; H186-T327 PolarHBondContact NE2-OG1 3.32Å; H186-T327 VanDerWaalsContact NE2-OG1 3.16Å
187	V	95.3	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.8	176.8	-173.4	0	0	0	0	109.6	W105 L179 V181 V185 T189 I192 V309 F310	W105-V187 HydrophobicContact CB-CB 4.18Å; W105-V187 WeakPolarHBondContact CB-O 3.33Å; W105-V187 HydrophobicContact CD2-CB 3.73Å; W105-V187 HydrophobicContact CD2-CG2 3.84Å; W105-V187 HydrophobicContact CE3-CB 3.8Å; W105-V187 HydrophobicContact CE3-CG1 4.36Å; W105-V187 HydrophobicContact CE3-CG2 3.93Å; W105-V187 HydrophobicContact CG-CB 3.91Å; W105-V187 HydrophobicContact CG-CG2 4.39Å; W105-V187 HydrophobicContact CH2-CG2 4.23Å; W105-V187 HydrophobicContact CZ2-CG2 4.11Å; W105-V187 HydrophobicContact CZ3-CB 4.44Å; W105-V187 HydrophobicContact CZ3-CG2 4.13Å; L179-V187 HydrophobicContact CD2-CG1 4.43Å; V181-V187 HydrophobicContact CG1-CG2 3.77Å; V181-V187 HydrophobicContact CG2-CG2 4.12Å; V185-V187 HydrophobicContact CG1-CG2 4.5Å; V187-T189 PolarHBondContact O-N 2.98Å; V187-T189 VanDerWaalsContact O-N 3.14Å; V187-I192 HydrophobicContact CG1-CG2 3.98Å; V187-V309 CarbonylContact C-O 3.54Å; V187-V309 WeakPolarHBondContact CA-O 3.15Å; V187-F310 HydrophobicContact CG1-CD1 4.33Å; V187-F310 HydrophobicContact CG1-CE1 3.95Å; V187-F310 HydrophobicContact CG2-CD1 4.11Å; V187-F310 HydrophobicContact CG2-CE1 4.17Å
188	N	93.8	Very high	94.8	Very high	38 Å²	38	27.2 Å²	27.2	20%	0.203	12%	0.121	C	C	.	.			trans	-77.5	92.5	162.7	-177.9	-9.6	0	0	0	108.9	F190 G191 I192 V309 T327	N188-F190 PolarHBondContact O-N 3.39Å; N188-F190 WeakPolarHBondContact OD1-CB 3.42Å; N188-F190 PolarHBondContact OD1-N 3.31Å; N188-G191 PolarHBondContact O-N 3.19Å; N188-G191 VanDerWaalsContact O-N 3.09Å; N188-G191 PolarHBondContact OD1-N 2.89Å; N188-G191 VanDerWaalsContact OD1-N 3.15Å; N188-I192 PolarHBondContact O-N 2.98Å; N188-V309 PolarHBondContact N-O 2.78Å; N188-T327 HydrophobicContact CB-CG2 4.26Å
189	T	95	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53.4	-41.4	-179.2	-52.9	0	0	0	0	112.3	W105 F110 F114 L116 V187 G191 I192 M193	W105-T189 WeakPolarHBondContact CA-OG1 3.37Å; W105-T189 WeakPolarHBondContact CB-OG1 3.26Å; W105-T189 PolarHBondContact O-OG1 2.67Å; F110-T189 HydrophobicContact CD1-CG2 4.37Å; F110-T189 HydrophobicContact CD2-CG2 3.95Å; F110-T189 HydrophobicContact CE2-CG2 4.19Å; F110-T189 HydrophobicContact CG-CG2 4.05Å; F114-T189 HydrophobicContact CD2-CG2 4.29Å; L116-T189 HydrophobicContact CD2-CG2 3.54Å; V187-T189 PolarHBondContact O-N 2.98Å; V187-T189 VanDerWaalsContact O-N 3.14Å; T189-G191 PolarHBondContact O-N 3.2Å; T189-I192 WeakPolarHBondContact O-CG2 3.44Å; T189-I192 PolarHBondContact O-N 2.55Å; T189-M193 HydrophobicContact CG2-CG 4.14Å; T189-M193 WeakPolarHBondContact O-CB 3.31Å; T189-M193 WeakPolarHBondContact O-CG 3.1Å; T189-M193 PolarHBondContact O-N 3.12Å
190	F	93.1	Very high	93.6	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-45.1	179.2	-52.1	-70.1	0	0	0	111.8	F110 F114 N188 R194 W324 T327 L328 C331 C336 Y337	F110-F190 AromaticContact CE1-CE1 3.9Å; F110-F190 HydrophobicContact CE1-CE1 3.9Å; F110-F190 AromaticContact CE1-CZ 3.88Å; F110-F190 HydrophobicContact CE1-CZ 3.88Å; F110-F190 HydrophobicContact CZ-CE1 4.41Å; F110-F190 AromaticContact CZ-CZ 3.97Å; F110-F190 HydrophobicContact CZ-CZ 3.97Å; F114-F190 AromaticContact CE2-CD1 3.96Å; F114-F190 HydrophobicContact CE2-CD1 3.96Å; F114-F190 AromaticContact CE2-CE1 3.95Å; F114-F190 HydrophobicContact CE2-CE1 3.95Å; F114-F190 AromaticContact CZ-CD1 3.79Å; F114-F190 HydrophobicContact CZ-CD1 3.79Å; F114-F190 HydrophobicContact CZ-CE1 4.07Å; N188-F190 PolarHBondContact O-N 3.39Å; N188-F190 WeakPolarHBondContact OD1-CB 3.42Å; N188-F190 PolarHBondContact OD1-N 3.31Å; F190-R194 VanDerWaalsContact O-CB 3.29Å; F190-R194 WeakPolarHBondContact O-CB 3.34Å; F190-R194 PolarHBondContact O-N 3.16Å; F190-W324 HydrophobicContact CE2-CH2 4.07Å; F190-W324 HydrophobicContact CZ-CH2 4.47Å; F190-T327 HydrophobicContact CD2-CG2 4.09Å; F190-T327 HydrophobicContact CE2-CG2 4.28Å; F190-L328 HydrophobicContact CE2-CD2 4.06Å; F190-L328 HydrophobicContact CZ-CD2 4Å; F190-C331 HydrophobicContact CD1-CB 4.49Å; F190-C331 VanDerWaalsContact CD1-SG 3.55Å; F190-C331 HydrophobicContact CD2-CB 3.67Å; F190-C331 HydrophobicContact CE1-CB 4.42Å; F190-C331 WeakPolarHBondContact CE1-SG 3.34Å; F190-C331 HydrophobicContact CE2-CB 3.56Å; F190-C331 HydrophobicContact CG-CB 4.16Å; F190-C331 HydrophobicContact CZ-CB 3.97Å; F190-C331 WeakPolarHBondContact CZ-SG 3.37Å; F190-C336 HydrophobicContact CB-CB 3.7Å; F190-C336 HydrophobicContact CD1-CB 3.93Å; F190-C336 HydrophobicContact CG-CB 3.9Å; F190-Y337 AromaticContact CE1-CD1 3.89Å; F190-Y337 HydrophobicContact CE1-CD1 3.89Å; F190-Y337 AromaticContact CE1-CE1 3.46Å; F190-Y337 HydrophobicContact CE1-CE1 3.46Å; F190-Y337 VanDerWaalsContact CE1-CE1 3.46Å; F190-Y337 HydrophobicContact CE1-CE2 4.24Å; F190-Y337 AromaticContact CE1-CZ 3.63Å; F190-Y337 HydrophobicContact CZ-CE1 4.04Å; F190-Y337 HydrophobicContact CZ-CE2 4.32Å; F190-Y337 AromaticContact CZ-CZ 3.74Å
191	G	92.4	Very high	92.3	Very high	10 Å²	10	39.5 Å²	39.5	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-48.4	178.4	0	0	0	0	0	112.9	N188 T189 R194 F195	N188-G191 PolarHBondContact O-N 3.19Å; N188-G191 VanDerWaalsContact O-N 3.09Å; N188-G191 PolarHBondContact OD1-N 2.89Å; N188-G191 VanDerWaalsContact OD1-N 3.15Å; T189-G191 PolarHBondContact O-N 3.2Å; G191-R194 PolarHBondContact O-N 2.04Å; G191-F195 PolarHBondContact O-N 3.41Å
192	I	94.4	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-37.5	-178.9	-166	56.5	0	0	0	112.3	L179 V187 N188 T189 F195 F196 V309 F310	L179-I192 HydrophobicContact CD2-CG1 4.19Å; L179-I192 HydrophobicContact CD2-CG2 4.42Å; V187-I192 HydrophobicContact CG1-CG2 3.98Å; N188-I192 PolarHBondContact O-N 2.98Å; T189-I192 WeakPolarHBondContact O-CG2 3.44Å; T189-I192 PolarHBondContact O-N 2.55Å; I192-F195 HydrophobicContact CD1-CB 4.48Å; I192-F195 HydrophobicContact CD1-CD1 3.98Å; I192-F195 WeakPolarHBondContact O-CB 3.04Å; I192-F195 PolarHBondContact O-N 3.41Å; I192-F196 HydrophobicContact CD1-CD2 4.47Å; I192-F196 HydrophobicContact CD1-CE1 4.35Å; I192-F196 HydrophobicContact CD1-CE2 3.94Å; I192-F196 HydrophobicContact CD1-CZ 3.85Å; I192-F196 HydrophobicContact CG1-CD2 4.01Å; I192-F196 HydrophobicContact CG1-CE2 3.46Å; I192-F196 VanDerWaalsContact CG1-CE2 3.46Å; I192-F196 HydrophobicContact CG1-CZ 3.87Å; I192-F196 VanDerWaalsContact O-CD2 3.27Å; I192-F196 WeakPolarHBondContact O-CD2 3.09Å; I192-F196 PolarHBondContact O-N 3.34Å; I192-V309 HydrophobicContact CB-CG1 3.65Å; I192-V309 HydrophobicContact CD1-CG1 4.27Å; I192-V309 HydrophobicContact CG1-CG1 4.38Å; I192-F310 HydrophobicContact CD1-CE2 4Å; I192-F310 HydrophobicContact CD1-CZ 3.64Å; I192-F310 HydrophobicContact CG1-CZ 4.01Å
193	M	94.3	Very high	89.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-38.6	177.2	-66	-44	-63.5	0	0	111.9	F83 V84 F114 L116 T189 F195 F196 R197	F83-M193 HydrophobicContact CD1-CE 3.53Å; F83-M193 HydrophobicContact CE1-CE 3.93Å; V84-M193 HydrophobicContact CB-CE 4.28Å; V84-M193 HydrophobicContact CB-SD 4.36Å; V84-M193 HydrophobicContact CG2-CE 3.58Å; V84-M193 HydrophobicContact CG2-SD 3.95Å; F114-M193 HydrophobicContact CB-CB 4.41Å; F114-M193 HydrophobicContact CB-CE 3.76Å; F114-M193 HydrophobicContact CB-CG 3.8Å; F114-M193 HydrophobicContact CB-SD 4.36Å; F114-M193 HydrophobicContact CD1-CB 4.01Å; F114-M193 HydrophobicContact CD1-CG 4.21Å; F114-M193 HydrophobicContact CD2-CG 4.21Å; F114-M193 HydrophobicContact CE1-CB 4.5Å; F114-M193 HydrophobicContact CG-CB 4.16Å; F114-M193 HydrophobicContact CG-CG 3.83Å; F114-M193 VanDerWaalsContact O-CE 3.3Å; F114-M193 WeakPolarHBondContact O-CE 3.24Å; L116-M193 HydrophobicContact CB-SD 4.31Å; L116-M193 HydrophobicContact CD2-SD 4.43Å; T189-M193 HydrophobicContact CG2-CG 4.14Å; T189-M193 WeakPolarHBondContact O-CB 3.31Å; T189-M193 WeakPolarHBondContact O-CG 3.1Å; T189-M193 PolarHBondContact O-N 3.12Å; M193-F195 VanDerWaalsContact C-N 3.32Å; M193-F195 PolarHBondContact O-N 3.4Å; M193-F196 PolarHBondContact O-N 3.41Å; M193-F196 HydrophobicContact SD-CD2 4.16Å; M193-R197 WeakPolarHBondContact O-CG 3.28Å; M193-R197 PolarHBondContact O-N 2.82Å
194	R	92.1	Very high	88.4	Confident	131 Å²	131	53.6 Å²	53.6	49%	0.494	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-42.3	171	-175.7	174.9	68.1	159	-1.4	111.4	F190 G191 K198	F190-R194 VanDerWaalsContact O-CB 3.29Å; F190-R194 WeakPolarHBondContact O-CB 3.34Å; F190-R194 PolarHBondContact O-N 3.16Å; G191-R194 PolarHBondContact O-N 2.04Å; R194-K198 WeakPolarHBondContact O-CG 3.14Å; R194-K198 PolarHBondContact O-N 2.72Å; R194-K198 VanDerWaalsContact O-N 3.11Å
195	F	92.3	Very high	87.1	Confident	41 Å²	41	55.8 Å²	55.8	18%	0.18	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-52.4	175.3	171.3	-96.1	0	0	0	111.7	G191 I192 M193 R197 K198 R199 Y210 I290	G191-F195 PolarHBondContact O-N 3.41Å; I192-F195 HydrophobicContact CD1-CB 4.48Å; I192-F195 HydrophobicContact CD1-CD1 3.98Å; I192-F195 WeakPolarHBondContact O-CB 3.04Å; I192-F195 PolarHBondContact O-N 3.41Å; M193-F195 VanDerWaalsContact C-N 3.32Å; M193-F195 PolarHBondContact O-N 3.4Å; F195-R197 PolarHBondContact O-N 2.95Å; F195-K198 PolarHBondContact O-N 2.92Å; F195-R199 HydrophobicContact CD1-CG 4.48Å; F195-R199 HydrophobicContact CE1-CG 4.07Å; F195-R199 HydrophobicContact CE2-CG 4.12Å; F195-R199 HydrophobicContact CZ-CG 3.88Å; F195-R199 WeakPolarHBondContact O-CG 3.31Å; F195-R199 PolarHBondContact O-N 2.83Å; F195-Y210 HydrophobicContact CE1-CD1 4.11Å; F195-Y210 HydrophobicContact CE1-CD2 4.32Å; F195-Y210 AromaticContact CE1-CG 3.91Å; F195-Y210 HydrophobicContact CE1-CG 3.91Å; F195-Y210 AromaticContact CZ-CD1 3.5Å; F195-Y210 HydrophobicContact CZ-CD1 3.5Å; F195-Y210 VanDerWaalsContact CZ-CD1 3.5Å; F195-Y210 HydrophobicContact CZ-CD2 4.5Å; F195-Y210 HydrophobicContact CZ-CE1 4.02Å; F195-Y210 AromaticContact CZ-CG 3.75Å; F195-Y210 HydrophobicContact CZ-CG 3.75Å; F195-I290 HydrophobicContact CE2-CG2 3.88Å; F195-I290 HydrophobicContact CZ-CD1 4.49Å; F195-I290 HydrophobicContact CZ-CG2 4.03Å
196	F	93.3	Very high	86.6	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-38	-179.3	-68.1	-46	0	0	0	113.9	F83 V84 Y177 I192 M193 R199 K200 S249	F83-F196 HydrophobicContact CE1-CB 3.77Å; F83-F196 HydrophobicContact CZ-CB 3.93Å; V84-F196 HydrophobicContact CG1-CD2 4.41Å; V84-F196 HydrophobicContact CG1-CE2 3.84Å; V84-F196 HydrophobicContact CG2-CD2 3.55Å; V84-F196 HydrophobicContact CG2-CE2 3.83Å; V84-F196 HydrophobicContact CG2-CG 4.31Å; Y177-F196 AromaticContact CD1-CD1 3.75Å; Y177-F196 HydrophobicContact CD1-CD1 3.75Å; Y177-F196 AromaticContact CD1-CE1 3.8Å; Y177-F196 HydrophobicContact CD1-CE1 3.8Å; Y177-F196 HydrophobicContact CD2-CB 4.04Å; Y177-F196 AromaticContact CD2-CD1 3.82Å; Y177-F196 HydrophobicContact CD2-CD1 3.82Å; Y177-F196 HydrophobicContact CD2-CE1 4.42Å; Y177-F196 AromaticContact CD2-CG 3.95Å; Y177-F196 HydrophobicContact CD2-CG 3.95Å; Y177-F196 AromaticContact CE1-CD1 4Å; Y177-F196 HydrophobicContact CE1-CD1 4Å; Y177-F196 HydrophobicContact CE1-CE1 4.4Å; Y177-F196 HydrophobicContact CE2-CB 3.99Å; Y177-F196 HydrophobicContact CE2-CD1 4.09Å; Y177-F196 HydrophobicContact CE2-CG 4.28Å; Y177-F196 AromaticContact CG-CD1 3.64Å; Y177-F196 HydrophobicContact CG-CD1 3.64Å; Y177-F196 AromaticContact CG-CE1 3.8Å; Y177-F196 HydrophobicContact CG-CE1 3.8Å; Y177-F196 HydrophobicContact CG-CG 4.15Å; Y177-F196 HydrophobicContact CG-CZ 4.38Å; I192-F196 HydrophobicContact CD1-CD2 4.47Å; I192-F196 HydrophobicContact CD1-CE1 4.35Å; I192-F196 HydrophobicContact CD1-CE2 3.94Å; I192-F196 HydrophobicContact CD1-CZ 3.85Å; I192-F196 HydrophobicContact CG1-CD2 4.01Å; I192-F196 HydrophobicContact CG1-CE2 3.46Å; I192-F196 VanDerWaalsContact CG1-CE2 3.46Å; I192-F196 HydrophobicContact CG1-CZ 3.87Å; I192-F196 VanDerWaalsContact O-CD2 3.27Å; I192-F196 WeakPolarHBondContact O-CD2 3.09Å; I192-F196 PolarHBondContact O-N 3.34Å; M193-F196 PolarHBondContact O-N 3.41Å; M193-F196 HydrophobicContact SD-CD2 4.16Å; F196-R199 PolarHBondContact O-N 2.63Å; F196-K200 PolarHBondContact O-N 2.8Å; F196-S249 VanDerWaalsContact CZ-OG 3.25Å; F196-S249 WeakPolarHBondContact CZ-OG 3.45Å
197	R	91.4	Very high	86.7	Confident	114 Å²	114	61.4 Å²	61.4	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-45.9	176.3	-75.4	177.5	175.5	176.1	-3.9	111.7	F83 K113 M193 F195 R199 K200 A201	F83-R197 HydrophobicContact CE1-CG 4.31Å; K113-R197 PolarHBondContact O-NH2 3.29Å; K113-R197 VanDerWaalsContact O-NH2 3.16Å; M193-R197 WeakPolarHBondContact O-CG 3.28Å; M193-R197 PolarHBondContact O-N 2.82Å; F195-R197 PolarHBondContact O-N 2.95Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 3.38Å; R197-K200 PolarHBondContact O-N 3.36Å; R197-A201 PolarHBondContact O-N 3.13Å; R197-A201 VanDerWaalsContact O-N 3.1Å
198	K	89.9	Confident	86.8	Confident	133 Å²	133	61.4 Å²	61.4	58%	0.578	31%	0.307	S	S	*	.	H	α-helix	trans	-59.6	-42.3	174.7	-73.9	-175	176.8	-169.5	0	111.7	R194 F195 A201 L202	R194-K198 WeakPolarHBondContact O-CG 3.14Å; R194-K198 PolarHBondContact O-N 2.72Å; R194-K198 VanDerWaalsContact O-N 3.11Å; F195-K198 PolarHBondContact O-N 2.92Å; K198-A201 PolarHBondContact O-N 2.68Å; K198-L202 WeakPolarHBondContact O-CG 3.43Å; K198-L202 PolarHBondContact O-N 2.84Å
199	R	87.2	Confident	87	Confident	53 Å²	53	59.6 Å²	59.6	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-42.2	176.9	-66.8	-60.1	-63.8	166.1	1.1	112.7	F195 F196 R197 A201 L202 S204 Y210	F195-R199 HydrophobicContact CD1-CG 4.48Å; F195-R199 HydrophobicContact CE1-CG 4.07Å; F195-R199 HydrophobicContact CE2-CG 4.12Å; F195-R199 HydrophobicContact CZ-CG 3.88Å; F195-R199 WeakPolarHBondContact O-CG 3.31Å; F195-R199 PolarHBondContact O-N 2.83Å; F196-R199 PolarHBondContact O-N 2.63Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 3.38Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.42Å; R199-L202 PolarHBondContact O-N 3.08Å; R199-S204 PolarHBondContact NH2-OG 2.84Å; R199-Y210 PolarHBondContact NE-OH 2.85Å; R199-Y210 PolarHBondContact NH2-OH 3.29Å
200	K	83.8	Confident	87.1	Confident	127 Å²	127	59.7 Å²	59.7	55%	0.552	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-42	176	-175.3	-173.3	176.6	-174.2	0	111.6	F83 F196 R197 L202 E203	F83-K200 HydrophobicContact CE2-CD 3.92Å; F83-K200 HydrophobicContact CZ-CB 4.45Å; F83-K200 HydrophobicContact CZ-CD 4.28Å; F196-K200 PolarHBondContact O-N 2.8Å; R197-K200 PolarHBondContact O-N 3.36Å; K200-L202 PolarHBondContact O-N 2.91Å; K200-E203 PolarHBondContact O-N 2.78Å
201	A	73.1	Confident	87.3	Confident	81 Å²	81	59.3 Å²	59.3	67%	0.669	30%	0.296	S	S	*	.	H	α-helix	trans	-66.6	-20.6	179.8	0	0	0	0	0	113.9	R197 K198 R199 E203	R197-A201 PolarHBondContact O-N 3.13Å; R197-A201 VanDerWaalsContact O-N 3.1Å; K198-A201 PolarHBondContact O-N 2.68Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.42Å; A201-E203 PolarHBondContact O-N 3.41Å
202	L	78.8	Confident	87.5	Confident	116 Å²	116	61.1 Å²	61.1	61%	0.607	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0	174.2	-64	171.9	0	0	0	112.8	K198 R199 K200 S204	K198-L202 WeakPolarHBondContact O-CG 3.43Å; K198-L202 PolarHBondContact O-N 2.84Å; R199-L202 PolarHBondContact O-N 3.08Å; K200-L202 PolarHBondContact O-N 2.91Å; L202-S204 PolarHBondContact O-N 2.74Å
203	E	66.6	Low	87.7	Confident	180 Å²	180	61.7 Å²	61.7	84%	0.841	31%	0.305	S	S	*	.			trans	53.1	-0	176.8	-65.2	-173.1	170.9	0	0	117.3	K200 A201 S205	K200-E203 PolarHBondContact O-N 2.78Å; A201-E203 PolarHBondContact O-N 3.41Å; E203-S205 PolarHBondContact O-N 3.32Å
204	S	66.7	Low	87.9	Confident	51 Å²	51	65.7 Å²	65.7	36%	0.357	32%	0.32	S	S	.	.			trans	-75.1	110.7	167.4	74.8	0	0	0	0	108.5	R199 L202 P206	R199-S204 PolarHBondContact NH2-OG 2.84Å; L202-S204 PolarHBondContact O-N 2.74Å; S204-P206 WeakPolarHBondContact O-CD 3.37Å
205	S	67.4	Low	88.2	Confident	74 Å²	74	68.3 Å²	68.3	52%	0.517	33%	0.33	S	S	.	.			trans	-106.7	57.3	164.4	-175.3	0	0	0	0	110.9	E203	E203-S205 PolarHBondContact O-N 3.32Å
206	P	84.6	Confident	88.4	Confident	51 Å²	51	69 Å²	69	33%	0.331	35%	0.349	S	S	.	.			trans	-63.5	153.4	176.7	31.7	-35.5	0	0	0	109.3	S204 A208 T251	S204-P206 WeakPolarHBondContact O-CD 3.37Å; P206-A208 HydrophobicContact CG-CB 4.25Å; P206-A208 PolarHBondContact O-N 2.8Å; P206-T251 WeakPolarHBondContact O-CG2 3.27Å; P206-T251 PolarHBondContact O-OG1 3.04Å; P206-T251 VanDerWaalsContact O-OG1 3.08Å
207	K	95.3	Very high	88.6	Confident	79 Å²	79	71.2 Å²	71.2	34%	0.343	36%	0.362	S	S	.	.	S	Bend	trans	-65.9	100.7	167.2	-63.4	-175.3	-70.1	171.7	0	108.6	P253 A254 P257 A283 V285 E286	K207-P253 HydrophobicContact CG-CB 4.45Å; K207-A254 HydrophobicContact CB-CB 3.87Å; K207-A254 HydrophobicContact CG-CB 4.34Å; K207-P257 HydrophobicContact CD-CB 4.36Å; K207-P257 HydrophobicContact CD-CG 3.75Å; K207-A283 PolarHBondContact NZ-O 3.22Å; K207-V285 HydrophobicContact CB-CG2 4.22Å; K207-E286 PolarHBondContact O-N 2.87Å
208	A	96.7	Very high	88.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148	-173.8	0	0	0	0	0	113.8	P206 T251 E286 I288	P206-A208 HydrophobicContact CG-CB 4.25Å; P206-A208 PolarHBondContact O-N 2.8Å; A208-T251 PolarHBondContact N-OG1 2.95Å; A208-T251 PolarHBondContact O-N 3.09Å; A208-T251 PolarHBondContact O-OG1 2.83Å; A208-E286 CarbonylContact C-O 3.51Å; A208-E286 WeakPolarHBondContact CA-O 3.31Å; A208-E286 HydrophobicContact CB-CB 4.26Å; A208-I288 HydrophobicContact CB-CD1 3.73Å; A208-I288 HydrophobicContact CB-CG1 4.21Å
209	F	98.2	Very high	89.3	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.7	156.1	-68.5	-83.6	0	0	0	110.5	Y248 S249 L250 L258 I275 T276 A280 V285 E286 R287 I288	F209-Y248 AromaticContact CD1-CD2 3.79Å; F209-Y248 HydrophobicContact CD1-CD2 3.79Å; F209-Y248 HydrophobicContact CD1-CE2 4.38Å; F209-Y248 HydrophobicContact CD1-CG 4.34Å; F209-Y248 AromaticContact CE1-CD2 3.79Å; F209-Y248 HydrophobicContact CE1-CD2 3.79Å; F209-Y248 AromaticContact CE1-CE2 3.9Å; F209-Y248 HydrophobicContact CE1-CE2 3.9Å; F209-S249 CarbonylContact C-O 3.53Å; F209-S249 WeakPolarHBondContact CA-O 3.46Å; F209-L250 HydrophobicContact CD1-CB 4.13Å; F209-L250 HydrophobicContact CD1-CD1 3.81Å; F209-L250 HydrophobicContact CD2-CD1 4.26Å; F209-L250 HydrophobicContact CE1-CB 4.08Å; F209-L250 HydrophobicContact CE1-CD1 3.61Å; F209-L250 HydrophobicContact CE1-CD2 4.19Å; F209-L250 HydrophobicContact CE1-CG 4.18Å; F209-L250 HydrophobicContact CE2-CD1 4.06Å; F209-L250 HydrophobicContact CG-CD1 4.14Å; F209-L250 HydrophobicContact CZ-CD1 3.74Å; F209-L250 HydrophobicContact CZ-CD2 4.43Å; F209-L258 HydrophobicContact CE2-CD1 4Å; F209-L258 HydrophobicContact CE2-CD2 4.2Å; F209-L258 HydrophobicContact CZ-CD1 3.57Å; F209-L258 HydrophobicContact CZ-CD2 4.33Å; F209-I275 HydrophobicContact CZ-CG2 4.19Å; F209-T276 HydrophobicContact CD1-CG2 4.08Å; F209-T276 HydrophobicContact CE1-CG2 3.7Å; F209-T276 HydrophobicContact CE2-CG2 4.45Å; F209-T276 HydrophobicContact CZ-CG2 3.9Å; F209-A280 HydrophobicContact CD2-CB 4.33Å; F209-A280 HydrophobicContact CE2-CB 3.88Å; F209-V285 HydrophobicContact CD2-CG1 3.59Å; F209-V285 HydrophobicContact CE2-CB 4.46Å; F209-V285 HydrophobicContact CE2-CG1 3.72Å; F209-E286 PolarHBondContact N-O 3.07Å; F209-R287 HydrophobicContact CB-CG 4.24Å; F209-R287 HydrophobicContact CD2-CG 4.32Å; F209-I288 PolarHBondContact O-N 3.31Å
210	Y	97.1	Very high	89.8	Confident	2 Å²	2	71 Å²	71	1%	0.008	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.3	163.7	-56.2	-89.8	0	0	0	108.2	Y177 F195 R199 S249 T251 I288	Y177-Y210 HydrophobicContact CE1-CE2 4.23Å; F195-Y210 HydrophobicContact CE1-CD1 4.11Å; F195-Y210 HydrophobicContact CE1-CD2 4.32Å; F195-Y210 AromaticContact CE1-CG 3.91Å; F195-Y210 HydrophobicContact CE1-CG 3.91Å; F195-Y210 AromaticContact CZ-CD1 3.5Å; F195-Y210 HydrophobicContact CZ-CD1 3.5Å; F195-Y210 VanDerWaalsContact CZ-CD1 3.5Å; F195-Y210 HydrophobicContact CZ-CD2 4.5Å; F195-Y210 HydrophobicContact CZ-CE1 4.02Å; F195-Y210 AromaticContact CZ-CG 3.75Å; F195-Y210 HydrophobicContact CZ-CG 3.75Å; R199-Y210 PolarHBondContact NE-OH 2.85Å; R199-Y210 PolarHBondContact NH2-OH 3.29Å; Y210-S249 PolarHBondContact N-O 2.95Å; Y210-S249 PolarHBondContact O-N 3.25Å; Y210-T251 HydrophobicContact CE2-CG2 3.89Å; Y210-I288 HydrophobicContact CD1-CB 3.61Å; Y210-I288 HydrophobicContact CD1-CD1 4.01Å; Y210-I288 HydrophobicContact CD1-CG1 4.37Å; Y210-I288 HydrophobicContact CD1-CG2 3.66Å; Y210-I288 HydrophobicContact CE1-CB 3.89Å; Y210-I288 HydrophobicContact CE1-CD1 3.37Å; Y210-I288 HydrophobicContact CE1-CG1 4.19Å; Y210-I288 HydrophobicContact CE1-CG2 3.84Å; Y210-I288 HydrophobicContact CG-CB 4.47Å
211	C	98	Very high	90.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	176.2	-172.6	64.7	0	0	0	0	114	V213 C243 I288 I290 Y294	C211-V213 PolarHBondContact O-N 3.3Å; C211-C243 HydrophobicContact CB-CB 3.41Å; C211-C243 VanDerWaalsContact CB-CB 3.41Å; C211-C243 WeakPolarHBondContact CB-SG 3.37Å; C211-C243 WeakPolarHBondContact SG-CA 3.33Å; C211-C243 WeakPolarHBondContact SG-CB 3.33Å; C211-C243 CovalentContact SG-SG 2.02Å; C211-C243 PolarHBondContact SG-SG 3.19Å; C211-I288 PolarHBondContact N-O 3.37Å; C211-I290 VanDerWaalsContact N-CG1 3.26Å; C211-I290 WeakPolarHBondContact O-CG1 3.39Å; C211-I290 PolarHBondContact O-N 3.2Å; C211-Y294 WeakPolarHBondContact CA-OH 3.26Å
212	F	97.7	Very high	91.6	Very high	48 Å²	48	65.2 Å²	65.2	21%	0.211	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	104.3	159.2	-171.3	-75.5	0	0	0	109	R214 C243 S244 N291 Y294 L296	F212-R214 HydrophobicContact CD1-CG 4Å; F212-R214 HydrophobicContact CE1-CG 4.06Å; F212-C243 CarbonylContact O-C 3.14Å; F212-C243 WeakPolarHBondContact O-CA 3.15Å; F212-S244 PolarHBondContact O-N 3.4Å; F212-N291 WeakPolarHBondContact CA-OD1 3.36Å; F212-N291 WeakPolarHBondContact CD1-ND2 3.49Å; F212-N291 HydrophobicContact CD2-CB 3.59Å; F212-N291 WeakPolarHBondContact CE1-ND2 3.42Å; F212-N291 HydrophobicContact CE2-CB 3.79Å; F212-N291 WeakPolarHBondContact CE2-ND2 3.43Å; F212-N291 HydrophobicContact CG-CB 4.2Å; F212-N291 WeakPolarHBondContact CZ-ND2 3.4Å; F212-Y294 HydrophobicContact CB-CD1 3.79Å; F212-Y294 HydrophobicContact CB-CD2 4.02Å; F212-Y294 HydrophobicContact CB-CE1 3.97Å; F212-Y294 HydrophobicContact CB-CE2 4.22Å; F212-Y294 HydrophobicContact CB-CG 3.81Å; F212-Y294 HydrophobicContact CD2-CG 4.17Å; F212-Y294 HydrophobicContact CG-CG 4.49Å; F212-L296 HydrophobicContact CD1-CD1 4Å; F212-L296 HydrophobicContact CD2-CD1 3.88Å; F212-L296 HydrophobicContact CD2-CG 4.43Å; F212-L296 HydrophobicContact CE1-CD1 4.14Å; F212-L296 HydrophobicContact CE2-CD1 4Å; F212-L296 HydrophobicContact CG-CD1 3.88Å; F212-L296 HydrophobicContact CZ-CD1 4.13Å
213	V	98.4	Very high	92.3	Very high	13 Å²	13	66.7 Å²	66.7	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.3	-179.9	178.1	0	0	0	0	109.8	C211 R215 F242 R287 K289 N291	C211-V213 PolarHBondContact O-N 3.3Å; V213-R215 HydrophobicContact CG1-CG 4.21Å; V213-F242 CarbonylContact C-O 3.55Å; V213-F242 WeakPolarHBondContact CA-O 3.45Å; V213-R287 HydrophobicContact CG2-CB 4.07Å; V213-K289 HydrophobicContact CB-CG 4.38Å; V213-K289 HydrophobicContact CG2-CB 4.16Å; V213-K289 HydrophobicContact CG2-CG 4.49Å; V213-N291 PolarHBondContact N-OD1 2.87Å; V213-N291 PolarHBondContact O-ND2 3.17Å
214	R	98.2	Very high	93.6	Very high	85 Å²	85	67.2 Å²	67.2	32%	0.321	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.6	170.3	-65.2	-175.6	178.3	-79.9	-0.2	109.9	F212 R241 F242	F212-R214 HydrophobicContact CD1-CG 4Å; F212-R214 HydrophobicContact CE1-CG 4.06Å; R214-R241 WeakPolarHBondContact O-CA 3.18Å; R214-F242 HydrophobicContact CB-CD1 3.85Å; R214-F242 HydrophobicContact CB-CE1 3.49Å; R214-F242 VanDerWaalsContact CB-CE1 3.49Å; R214-F242 HydrophobicContact CB-CE2 4.4Å; R214-F242 HydrophobicContact CB-CG 4.48Å; R214-F242 HydrophobicContact CB-CZ 3.8Å; R214-F242 VanDerWaalsContact CD-CZ 3.43Å; R214-F242 HydrophobicContact CG-CE1 4.38Å; R214-F242 HydrophobicContact CG-CZ 4.2Å; R214-F242 PolarHBondContact N-O 3.24Å; R214-F242 PolarHBondContact O-N 3.17Å
215	R	97.6	Very high	95	Very high	186 Å²	186	67.1 Å²	67.1	70%	0.702	33%	0.332	S	S	*	.			trans	-139.3	145.9	177.1	-62.7	-176.6	-179.3	-172.9	-1.3	108.4	V213 T217 R241	V213-R215 HydrophobicContact CG1-CG 4.21Å; R215-T217 PolarHBondContact O-N 3.11Å; R215-R241 HydrophobicContact CG-CB 4.21Å
216	G	96.9	Very high	96.2	Very high	57 Å²	57	70.4 Å²	70.4	59%	0.588	34%	0.337	S	S	*	.	S	Bend	trans	66.7	20	175.5	0	0	0	0	0	114.3	R218	G216-R218 PolarHBondContact O-N 2.85Å
217	T	98	Very high	96.7	Very high	45 Å²	45	74.2 Å²	74.2	28%	0.276	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71.5	119	177.4	-57.7	0	0	0	0	109.2	R215 V238 F239 F242	R215-T217 PolarHBondContact O-N 3.11Å; T217-V238 WeakPolarHBondContact O-CA 3.3Å; T217-F239 HydrophobicContact CG2-CD2 4.25Å; T217-F239 PolarHBondContact O-N 2.94Å; T217-F242 HydrophobicContact CG2-CE1 4.31Å; T217-F242 HydrophobicContact CG2-CZ 4.27Å
218	R	98	Very high	96.7	Very high	209 Å²	209	73.1 Å²	73.1	79%	0.789	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-66.9	142.6	174.5	-72.5	-174.6	170.1	110.1	-1	110.3	G216 T237 V238	G216-R218 PolarHBondContact O-N 2.85Å; R218-T237 WeakPolarHBondContact CA-O 3.14Å; R218-V238 HydrophobicContact CG-CG2 4.43Å
219	V	98.1	Very high	96.8	Very high	12 Å²	12	73.1 Å²	73.1	7%	0.073	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-72.5	130.3	174.5	-176.9	0	0	0	0	108.1	R221 V229 F234 E236 T237 F239	V219-R221 VanDerWaalsContact CG1-CZ 3.49Å; V219-V229 HydrophobicContact CG1-CB 3.84Å; V219-V229 HydrophobicContact CG1-CG1 4.39Å; V219-V229 HydrophobicContact CG1-CG2 4.49Å; V219-F234 HydrophobicContact CG1-CD1 4.39Å; V219-F234 HydrophobicContact CG2-CD1 3.57Å; V219-F234 HydrophobicContact CG2-CE1 3.61Å; V219-E236 WeakPolarHBondContact CG2-O 3.49Å; V219-T237 PolarHBondContact N-O 3.37Å; V219-F239 HydrophobicContact CB-CE1 4.39Å; V219-F239 HydrophobicContact CB-CE2 4.31Å; V219-F239 HydrophobicContact CB-CZ 4.1Å; V219-F239 HydrophobicContact CG1-CE1 4.1Å; V219-F239 HydrophobicContact CG1-CE2 4.38Å; V219-F239 HydrophobicContact CG1-CZ 3.76Å; V219-F239 HydrophobicContact CG2-CD1 3.76Å; V219-F239 HydrophobicContact CG2-CD2 4.15Å; V219-F239 HydrophobicContact CG2-CE1 3.64Å; V219-F239 HydrophobicContact CG2-CE2 4.04Å; V219-F239 HydrophobicContact CG2-CG 4.03Å; V219-F239 HydrophobicContact CG2-CZ 3.79Å
220	E	97.5	Very high	96.7	Very high	74 Å²	74	73.6 Å²	73.6	35%	0.346	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-77.4	126.8	177.6	-176.8	51.8	-99.5	0	0	110.1	G222 D225 W227 V229	E220-G222 PolarHBondContact OE1-N 2.95Å; E220-D225 HydrophobicContact CG-CB 3.45Å; E220-D225 VanDerWaalsContact CG-CB 3.45Å; E220-W227 HydrophobicContact CB-CB 4.34Å; E220-V229 PolarHBondContact O-N 3.17Å
221	R	97.2	Very high	96.7	Very high	53 Å²	53	79.9 Å²	79.9	20%	0.2	37%	0.367	C	S	.	.			trans	-119.9	-4.7	-173.3	-59.5	-57.3	-171.2	175.6	3.9	112.9	V219 E223 Y228 V229 P230 F234 E236	V219-R221 VanDerWaalsContact CG1-CZ 3.49Å; R221-E223 PolarHBondContact O-N 3.19Å; R221-Y228 VanDerWaalsContact C-CD2 3.47Å; R221-Y228 WeakPolarHBondContact O-CD2 3.44Å; R221-Y228 VanDerWaalsContact O-CE2 3.22Å; R221-Y228 WeakPolarHBondContact O-CE2 3.44Å; R221-V229 WeakPolarHBondContact CD-O 3.44Å; R221-V229 PolarHBondContact NH1-O 3.23Å; R221-P230 PolarHBondContact NH1-O 3.11Å; R221-F234 VanDerWaalsContact CZ-O 3.29Å; R221-F234 PolarHBondContact NH1-O 3.22Å; R221-F234 PolarHBondContact NH2-O 3.44Å; R221-E236 PolarHBondContact NH2-O 3.13Å
222	G	97	Very high	96.5	Very high	34 Å²	34	86.9 Å²	86.9	35%	0.351	40%	0.4	S	S	.	.			trans	-75.1	118.4	171.1	0	0	0	0	0	110.5	E220 E224 D225 Y228	E220-G222 PolarHBondContact OE1-N 2.95Å; G222-E224 PolarHBondContact O-N 3.47Å; G222-E224 VanDerWaalsContact O-N 3.13Å; G222-D225 WeakPolarHBondContact O-CB 3.33Å; G222-D225 PolarHBondContact O-N 3.44Å; G222-Y228 WeakPolarHBondContact O-CB 3.37Å
223	E	94.1	Very high	96.4	Very high	148 Å²	148	86.7 Å²	86.7	69%	0.692	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.9	-176.9	-62.8	-171.4	175.1	0	0	114.1	R221 D225 Y228	R221-E223 PolarHBondContact O-N 3.19Å; E223-D225 VanDerWaalsContact C-N 3.34Å; E223-Y228 HydrophobicContact CB-CE1 4.44Å; E223-Y228 HydrophobicContact CG-CD1 4.47Å; E223-Y228 HydrophobicContact CG-CE1 3.93Å; E223-Y228 HydrophobicContact CG-CE2 4.02Å
224	E	94	Very high	96.3	Very high	191 Å²	191	86.1 Å²	86.1	89%	0.893	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12	178.4	-60.9	-60.9	157.8	0	0	113.5	G222	G222-E224 PolarHBondContact O-N 3.47Å; G222-E224 VanDerWaalsContact O-N 3.13Å
225	D	94.6	Very high	96.2	Very high	48 Å²	48	86.5 Å²	86.5	26%	0.257	40%	0.404	S	S	.	.	S	Bend	trans	-81.6	136	177.1	-164.7	-70.4	0	0	0	110.2	E220 G222 E223 W227 Y228	E220-D225 HydrophobicContact CG-CB 3.45Å; E220-D225 VanDerWaalsContact CG-CB 3.45Å; G222-D225 WeakPolarHBondContact O-CB 3.33Å; G222-D225 PolarHBondContact O-N 3.44Å; E223-D225 VanDerWaalsContact C-N 3.34Å; D225-W227 PolarHBondContact O-N 3.2Å; D225-W227 WeakPolarHBondContact OD1-CB 3.43Å; D225-W227 PolarHBondContact OD1-N 3.22Å; D225-Y228 WeakPolarHBondContact O-CB 3.32Å; D225-Y228 PolarHBondContact O-N 3.18Å
226	K	93.4	Very high	96.2	Very high	143 Å²	143	82.7 Å²	82.7	62%	0.622	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.8	179.3	68.4	-179.3	-174.7	176.7	0	114	W269	K226-W269 VanDerWaalsContact O-CH2 3.31Å; K226-W269 WeakPolarHBondContact O-CH2 3.44Å
227	W	94.4	Very high	96.2	Very high	131 Å²	131	84.3 Å²	84.3	50%	0.496	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	12.5	176.9	-56.7	-59.8	0	0	0	113	E220 D225 V229	E220-W227 HydrophobicContact CB-CB 4.34Å; D225-W227 PolarHBondContact O-N 3.2Å; D225-W227 WeakPolarHBondContact OD1-CB 3.43Å; D225-W227 PolarHBondContact OD1-N 3.22Å; W227-V229 PolarHBondContact O-N 3.4Å
228	Y	96.7	Very high	96.2	Very high	57 Å²	57	84.6 Å²	84.6	22%	0.224	39%	0.394	C	S	.	.			trans	-50.9	131	177.5	174.7	-123.5	0	0	0	112.5	R221 G222 E223 D225 P230 W269	R221-Y228 VanDerWaalsContact C-CD2 3.47Å; R221-Y228 WeakPolarHBondContact O-CD2 3.44Å; R221-Y228 VanDerWaalsContact O-CE2 3.22Å; R221-Y228 WeakPolarHBondContact O-CE2 3.44Å; G222-Y228 WeakPolarHBondContact O-CB 3.37Å; E223-Y228 HydrophobicContact CB-CE1 4.44Å; E223-Y228 HydrophobicContact CG-CD1 4.47Å; E223-Y228 HydrophobicContact CG-CE1 3.93Å; E223-Y228 HydrophobicContact CG-CE2 4.02Å; D225-Y228 WeakPolarHBondContact O-CB 3.32Å; D225-Y228 PolarHBondContact O-N 3.18Å; Y228-P230 HydrophobicContact CE1-CB 4.15Å; Y228-W269 WeakPolarHBondContact O-CZ2 3.44Å
229	V	97.3	Very high	96.2	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.36	C	S	.	.			trans	-128.5	123.2	170.1	-178.4	0	0	0	0	108.5	V219 E220 R221 W227 E233 F234 F239 L268 L270	V219-V229 HydrophobicContact CG1-CB 3.84Å; V219-V229 HydrophobicContact CG1-CG1 4.39Å; V219-V229 HydrophobicContact CG1-CG2 4.49Å; E220-V229 PolarHBondContact O-N 3.17Å; R221-V229 WeakPolarHBondContact CD-O 3.44Å; R221-V229 PolarHBondContact NH1-O 3.23Å; W227-V229 PolarHBondContact O-N 3.4Å; V229-E233 HydrophobicContact CG1-CB 3.98Å; V229-F234 HydrophobicContact CG1-CB 3.62Å; V229-F239 HydrophobicContact CG2-CZ 4.12Å; V229-L268 HydrophobicContact CG1-CD1 3.71Å; V229-L268 HydrophobicContact CG2-CD1 4.21Å; V229-L270 HydrophobicContact CG2-CD1 3.57Å; V229-L270 HydrophobicContact CG2-CG 4.3Å
230	P	96.4	Very high	96.2	Very high	10 Å²	10	76 Å²	76	7%	0.065	37%	0.365	C	S	.	.			trans	-76.1	161.1	176.1	34.4	-38.3	0	0	0	111.7	R221 Y228 E232 E233 F234	R221-P230 PolarHBondContact NH1-O 3.11Å; Y228-P230 HydrophobicContact CE1-CB 4.15Å; P230-E232 WeakPolarHBondContact CB-OE2 3.44Å; P230-E232 PolarHBondContact O-N 3.1Å; P230-E233 HydrophobicContact CG-CB 4.06Å; P230-E233 HydrophobicContact CG-CG 3.75Å; P230-E233 PolarHBondContact O-N 3.17Å; P230-F234 PolarHBondContact O-N 3.48Å; P230-F234 VanDerWaalsContact O-N 3.15Å
231	Y	96.2	Very high	96.2	Very high	133 Å²	133	76.2 Å²	76.2	52%	0.522	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.9	-176.5	-79.8	-78.6	0	0	0	112.8	E233 F234 N235	Y231-E233 VanDerWaalsContact C-N 3.28Å; Y231-E233 PolarHBondContact O-N 3.29Å; Y231-F234 WeakPolarHBondContact CA-O 3.49Å; Y231-F234 CarbonylContact O-C 3.58Å; Y231-F234 VanDerWaalsContact O-C 3.26Å; Y231-F234 PolarHBondContact O-N 2.84Å; Y231-N235 WeakPolarHBondContact O-CA 3.46Å; Y231-N235 PolarHBondContact O-N 3.36Å
232	E	95.2	Very high	96.3	Very high	148 Å²	148	74 Å²	74	69%	0.692	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.8	178.3	-62.5	70.4	-152.6	0	0	111.9	R56 P230	R56-E232 WeakPolarHBondContact CB-O 3.13Å; R56-E232 WeakPolarHBondContact CD-O 3.49Å; P230-E232 WeakPolarHBondContact CB-OE2 3.44Å; P230-E232 PolarHBondContact O-N 3.1Å
233	E	94.9	Very high	96.4	Very high	44 Å²	44	72.4 Å²	72.4	21%	0.206	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-34.4	178.3	-69.8	178.6	-157.5	0	0	111.9	R28 R56 V229 P230 Y231 L268	R28-E233 IonicContact CZ-OE1 3.64Å; R28-E233 IonicContact NE-OE1 3.91Å; R28-E233 IonicContact NH2-OE1 3.34Å; R28-E233 PolarHBondContact NH2-OE1 3.33Å; R56-E233 WeakPolarHBondContact CD-O 3.44Å; R56-E233 PolarHBondContact NE-O 2.9Å; R56-E233 VanDerWaalsContact NE-O 3.1Å; V229-E233 HydrophobicContact CG1-CB 3.98Å; P230-E233 HydrophobicContact CG-CB 4.06Å; P230-E233 HydrophobicContact CG-CG 3.75Å; P230-E233 PolarHBondContact O-N 3.17Å; Y231-E233 VanDerWaalsContact C-N 3.28Å; Y231-E233 PolarHBondContact O-N 3.29Å; E233-L268 HydrophobicContact CB-CD1 4.48Å
234	F	97.1	Very high	96.5	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	31%	0.307	C	S	.	.			trans	-149	114.7	175.5	-165.8	-97.5	0	0	0	109.9	V219 R221 V229 P230 Y231 E236 F239 L268 L278	V219-F234 HydrophobicContact CG1-CD1 4.39Å; V219-F234 HydrophobicContact CG2-CD1 3.57Å; V219-F234 HydrophobicContact CG2-CE1 3.61Å; R221-F234 VanDerWaalsContact CZ-O 3.29Å; R221-F234 PolarHBondContact NH1-O 3.22Å; R221-F234 PolarHBondContact NH2-O 3.44Å; V229-F234 HydrophobicContact CG1-CB 3.62Å; P230-F234 PolarHBondContact O-N 3.48Å; P230-F234 VanDerWaalsContact O-N 3.15Å; Y231-F234 WeakPolarHBondContact CA-O 3.49Å; Y231-F234 CarbonylContact O-C 3.58Å; Y231-F234 VanDerWaalsContact O-C 3.26Å; Y231-F234 PolarHBondContact O-N 2.84Å; F234-E236 HydrophobicContact CD1-CB 4.27Å; F234-E236 WeakPolarHBondContact CD1-O 3.39Å; F234-E236 HydrophobicContact CE1-CB 3.58Å; F234-E236 HydrophobicContact CZ-CB 4Å; F234-F239 AromaticContact CD1-CD1 3.98Å; F234-F239 HydrophobicContact CD1-CD1 3.98Å; F234-F239 AromaticContact CD1-CE1 3.84Å; F234-F239 HydrophobicContact CD1-CE1 3.84Å; F234-F239 HydrophobicContact CD2-CE1 4.43Å; F234-F239 AromaticContact CE1-CD1 3.63Å; F234-F239 HydrophobicContact CE1-CD1 3.63Å; F234-F239 AromaticContact CE1-CE1 3.99Å; F234-F239 HydrophobicContact CE1-CE1 3.99Å; F234-F239 HydrophobicContact CE2-CD1 4.25Å; F234-F239 HydrophobicContact CG-CD1 4.4Å; F234-F239 HydrophobicContact CG-CE1 4.06Å; F234-F239 AromaticContact CZ-CD1 3.81Å; F234-F239 HydrophobicContact CZ-CD1 3.81Å; F234-F239 HydrophobicContact CZ-CE1 4.41Å; F234-L268 HydrophobicContact CB-CD1 4.34Å; F234-L268 HydrophobicContact CD2-CD2 4.4Å; F234-L278 HydrophobicContact CE2-CD1 4.35Å; F234-L278 HydrophobicContact CE2-CD2 4.1Å
235	N	95.3	Very high	96.6	Very high	92 Å²	92	57 Å²	57	49%	0.492	27%	0.269	S	S	.	.			trans	-90.5	-14.3	-170.2	69.9	-15.3	0	0	0	114.7	R56 Y231	R56-N235 PolarHBondContact NH1-ND2 2.83Å; R56-N235 PolarHBondContact NH1-OD1 3.21Å; R56-N235 PolarHBondContact NH2-OD1 3.44Å; Y231-N235 WeakPolarHBondContact O-CA 3.46Å; Y231-N235 PolarHBondContact O-N 3.36Å
236	E	96.7	Very high	96.7	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.5	26%	0.26	S	S	.	.	S	Bend	trans	-81.8	160.9	177.4	-61.7	172.8	-113.2	0	0	111.2	V219 R221 F234	V219-E236 WeakPolarHBondContact CG2-O 3.49Å; R221-E236 PolarHBondContact NH2-O 3.13Å; F234-E236 HydrophobicContact CD1-CB 4.27Å; F234-E236 WeakPolarHBondContact CD1-O 3.39Å; F234-E236 HydrophobicContact CE1-CB 3.58Å; F234-E236 HydrophobicContact CZ-CB 4Å
237	T	97.6	Very high	96.9	Very high	91 Å²	91	48.4 Å²	48.4	56%	0.558	23%	0.23	S	C	*	.	S	Bend	trans	-89.7	-13	-179.8	55.1	0	0	0	0	113.5	R218 V219	R218-T237 WeakPolarHBondContact CA-O 3.14Å; V219-T237 PolarHBondContact N-O 3.37Å
238	V	98.3	Very high	97.1	Very high	50 Å²	50	42.2 Å²	42.2	30%	0.303	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-135.2	133.5	-175.4	176.6	0	0	0	0	109.2	T217 R218	T217-V238 WeakPolarHBondContact O-CA 3.3Å; R218-V238 HydrophobicContact CG-CG2 4.43Å
239	F	98.5	Very high	97.2	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.066	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-72	149.8	175.1	-68.1	-53.7	0	0	0	111.9	T217 V219 V229 F234 F242 L268 L270 V273	T217-F239 HydrophobicContact CG2-CD2 4.25Å; T217-F239 PolarHBondContact O-N 2.94Å; V219-F239 HydrophobicContact CB-CE1 4.39Å; V219-F239 HydrophobicContact CB-CE2 4.31Å; V219-F239 HydrophobicContact CB-CZ 4.1Å; V219-F239 HydrophobicContact CG1-CE1 4.1Å; V219-F239 HydrophobicContact CG1-CE2 4.38Å; V219-F239 HydrophobicContact CG1-CZ 3.76Å; V219-F239 HydrophobicContact CG2-CD1 3.76Å; V219-F239 HydrophobicContact CG2-CD2 4.15Å; V219-F239 HydrophobicContact CG2-CE1 3.64Å; V219-F239 HydrophobicContact CG2-CE2 4.04Å; V219-F239 HydrophobicContact CG2-CG 4.03Å; V219-F239 HydrophobicContact CG2-CZ 3.79Å; V229-F239 HydrophobicContact CG2-CZ 4.12Å; F234-F239 AromaticContact CD1-CD1 3.98Å; F234-F239 HydrophobicContact CD1-CD1 3.98Å; F234-F239 AromaticContact CD1-CE1 3.84Å; F234-F239 HydrophobicContact CD1-CE1 3.84Å; F234-F239 HydrophobicContact CD2-CE1 4.43Å; F234-F239 AromaticContact CE1-CD1 3.63Å; F234-F239 HydrophobicContact CE1-CD1 3.63Å; F234-F239 AromaticContact CE1-CE1 3.99Å; F234-F239 HydrophobicContact CE1-CE1 3.99Å; F234-F239 HydrophobicContact CE2-CD1 4.25Å; F234-F239 HydrophobicContact CG-CD1 4.4Å; F234-F239 HydrophobicContact CG-CE1 4.06Å; F234-F239 AromaticContact CZ-CD1 3.81Å; F234-F239 HydrophobicContact CZ-CD1 3.81Å; F234-F239 HydrophobicContact CZ-CE1 4.41Å; F239-F242 HydrophobicContact CB-CD1 4.43Å; F239-F242 HydrophobicContact CB-CE1 4.28Å; F239-L268 HydrophobicContact CE1-CD2 3.96Å; F239-L270 HydrophobicContact CE1-CD1 4.36Å; F239-L270 HydrophobicContact CE2-CD1 4.06Å; F239-L270 HydrophobicContact CZ-CD1 3.57Å; F239-V273 HydrophobicContact CB-CG1 4.14Å; F239-V273 HydrophobicContact CD1-CB 4.49Å; F239-V273 HydrophobicContact CD1-CG1 3.5Å; F239-V273 VanDerWaalsContact CD1-CG1 3.5Å; F239-V273 HydrophobicContact CD1-CG2 4.26Å; F239-V273 HydrophobicContact CD2-CG2 3.98Å; F239-V273 HydrophobicContact CE1-CG1 3.97Å; F239-V273 HydrophobicContact CE1-CG2 4.45Å; F239-V273 HydrophobicContact CE2-CG2 4.18Å; F239-V273 HydrophobicContact CG-CG1 3.86Å; F239-V273 HydrophobicContact CG-CG2 4.01Å; F239-V273 HydrophobicContact CZ-CG2 4.41Å
240	P	97.9	Very high	97.2	Very high	27 Å²	27	39.5 Å²	39.5	18%	0.175	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-63.9	169.1	172.1	30.5	-37.9	0	0	0	111.4	F242 L278	P240-F242 VanDerWaalsContact O-CD1 3.27Å; P240-F242 WeakPolarHBondContact O-CD1 3.4Å; P240-F242 PolarHBondContact O-N 3.4Å; P240-L278 HydrophobicContact CG-CD2 3.81Å; P240-L278 HydrophobicContact CG-CG 4.36Å
241	R	98.1	Very high	97.3	Very high	77 Å²	77	39.1 Å²	39.1	29%	0.291	19%	0.194	S	C	.	.	S	Bend	trans	-57.8	124.1	174.7	74	-179	176.6	149.6	-2.1	110.2	R214 R215 E286 R287	R214-R241 WeakPolarHBondContact O-CA 3.18Å; R215-R241 HydrophobicContact CG-CB 4.21Å; R241-E286 IonicContact CZ-OE1 2.68Å; R241-E286 IonicContact CZ-OE2 3.97Å; R241-E286 IonicContact NH1-OE1 3.2Å; R241-E286 IonicContact NH1-OE2 2.7Å; R241-E286 PolarHBondContact NH1-OE2 3.25Å; R241-E286 IonicContact NH2-OE1 3.44Å; R241-E286 PolarHBondContact NH2-OE1 2.85Å; R241-E286 IonicContact NH2-OE2 3.82Å; R241-E286 PolarHBondContact NH2-OE2 3.2Å; R241-R287 VanDerWaalsContact NH2-NH1 3.11Å; R241-R287 PolarHBondContact O-NE 3.17Å; R241-R287 PolarHBondContact O-NH2 2.77Å
242	F	98.6	Very high	97.3	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	171.2	-176	74.2	-72.5	0	0	0	111.2	V213 R214 T217 F239 P240 D272 V273	V213-F242 CarbonylContact C-O 3.55Å; V213-F242 WeakPolarHBondContact CA-O 3.45Å; R214-F242 HydrophobicContact CB-CD1 3.85Å; R214-F242 HydrophobicContact CB-CE1 3.49Å; R214-F242 VanDerWaalsContact CB-CE1 3.49Å; R214-F242 HydrophobicContact CB-CE2 4.4Å; R214-F242 HydrophobicContact CB-CG 4.48Å; R214-F242 HydrophobicContact CB-CZ 3.8Å; R214-F242 VanDerWaalsContact CD-CZ 3.43Å; R214-F242 HydrophobicContact CG-CE1 4.38Å; R214-F242 HydrophobicContact CG-CZ 4.2Å; R214-F242 PolarHBondContact N-O 3.24Å; R214-F242 PolarHBondContact O-N 3.17Å; T217-F242 HydrophobicContact CG2-CE1 4.31Å; T217-F242 HydrophobicContact CG2-CZ 4.27Å; F239-F242 HydrophobicContact CB-CD1 4.43Å; F239-F242 HydrophobicContact CB-CE1 4.28Å; P240-F242 VanDerWaalsContact O-CD1 3.27Å; P240-F242 WeakPolarHBondContact O-CD1 3.4Å; P240-F242 PolarHBondContact O-N 3.4Å; F242-D272 HydrophobicContact CD2-CB 4.23Å; F242-D272 HydrophobicContact CE2-CB 4.48Å; F242-V273 HydrophobicContact CD1-CG2 4.48Å; F242-V273 HydrophobicContact CD2-CB 4.47Å; F242-V273 HydrophobicContact CD2-CG2 3.78Å; F242-V273 HydrophobicContact CE1-CG2 4.41Å; F242-V273 HydrophobicContact CE2-CG2 3.72Å; F242-V273 HydrophobicContact CG-CG2 4.18Å; F242-V273 HydrophobicContact CZ-CG2 4.04Å
243	C	98.6	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	151.3	175.8	-66.2	0	0	0	0	111.4	C211 F212 Y248 D272 T276	C211-C243 HydrophobicContact CB-CB 3.41Å; C211-C243 VanDerWaalsContact CB-CB 3.41Å; C211-C243 WeakPolarHBondContact CB-SG 3.37Å; C211-C243 WeakPolarHBondContact SG-CA 3.33Å; C211-C243 WeakPolarHBondContact SG-CB 3.33Å; C211-C243 CovalentContact SG-SG 2.02Å; C211-C243 PolarHBondContact SG-SG 3.19Å; F212-C243 CarbonylContact O-C 3.14Å; F212-C243 WeakPolarHBondContact O-CA 3.15Å; C243-Y248 HydrophobicContact CB-CD1 4.35Å; C243-D272 WeakPolarHBondContact O-CB 3.5Å; C243-T276 HydrophobicContact CB-CG2 3.95Å; C243-T276 WeakPolarHBondContact CB-OG1 3.39Å; C243-T276 PolarHBondContact N-OG1 3.34Å
244	S	97.5	Very high	97.5	Very high	8 Å²	8	28 Å²	28	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.1	169.2	-168.1	0	0	0	0	111.2	F212 S246	F212-S244 PolarHBondContact O-N 3.4Å; S244-S246 PolarHBondContact O-N 3.02Å; S244-S246 PolarHBondContact OG-OG 3.31Å
245	G	96	Very high	97.5	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	-28.4	178.1	0	0	0	0	0	115.4	K180 S247 D272	K180-G245 PolarHBondContact NZ-O 3.21Å; G245-S247 VanDerWaalsContact C-N 3.34Å; G245-S247 PolarHBondContact O-N 3Å; G245-D272 PolarHBondContact N-OD2 2.83Å; G245-D272 VanDerWaalsContact N-OD2 3.14Å
246	S	96.1	Very high	97.6	Very high	11 Å²	11	28.5 Å²	28.5	8%	0.077	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	-46.2	-178.7	49.7	0	0	0	0	114	D182 V185 S244 L296	D182-S246 PolarHBondContact N-O 3.46Å; D182-S246 WeakPolarHBondContact OD2-CA 3.42Å; V185-S246 WeakPolarHBondContact CG2-O 3.24Å; S244-S246 PolarHBondContact O-N 3.02Å; S244-S246 PolarHBondContact OG-OG 3.31Å; S246-L296 VanDerWaalsContact OG-CD2 3.27Å; S246-L296 WeakPolarHBondContact OG-CD2 3.44Å
247	S	98.3	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	152	169.7	69.3	0	0	0	0	112.6	K180 G245 Y294 F310	K180-S247 CarbonylContact O-C 3.51Å; K180-S247 WeakPolarHBondContact O-CA 3.42Å; K180-S247 VanDerWaalsContact O-CB 3.28Å; K180-S247 WeakPolarHBondContact O-CB 3.46Å; G245-S247 VanDerWaalsContact C-N 3.34Å; G245-S247 PolarHBondContact O-N 3Å; S247-Y294 PolarHBondContact O-OH 2.83Å; S247-Y294 WeakPolarHBondContact OG-CE1 3.48Å; S247-Y294 PolarHBondContact OG-OH 2.89Å; S247-F310 WeakPolarHBondContact OG-CD1 3.45Å; S247-F310 WeakPolarHBondContact OG-CG 3.33Å
248	Y	98.6	Very high	97.8	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	153.5	168.4	51.4	-99.8	0	0	0	110.6	W164 K180 F209 C243 T276	W164-Y248 HydrophobicContact CH2-CE2 4.23Å; W164-Y248 HydrophobicContact CZ2-CE2 4.12Å; W164-Y248 WeakPolarHBondContact CZ2-OH 3.48Å; K180-Y248 HydrophobicContact CB-CD1 4.44Å; K180-Y248 HydrophobicContact CB-CD2 3.8Å; K180-Y248 HydrophobicContact CB-CE1 4.14Å; K180-Y248 HydrophobicContact CB-CE2 3.42Å; K180-Y248 VanDerWaalsContact CB-CE2 3.42Å; K180-Y248 HydrophobicContact CB-CG 4.3Å; K180-Y248 HydrophobicContact CD-CD1 4.22Å; K180-Y248 HydrophobicContact CD-CE1 3.64Å; K180-Y248 HydrophobicContact CD-CE2 4.5Å; K180-Y248 HydrophobicContact CG-CE1 4Å; K180-Y248 HydrophobicContact CG-CE2 3.96Å; K180-Y248 PolarHBondContact N-O 2.97Å; K180-Y248 PolarHBondContact O-N 3.4Å; F209-Y248 AromaticContact CD1-CD2 3.79Å; F209-Y248 HydrophobicContact CD1-CD2 3.79Å; F209-Y248 HydrophobicContact CD1-CE2 4.38Å; F209-Y248 HydrophobicContact CD1-CG 4.34Å; F209-Y248 AromaticContact CE1-CD2 3.79Å; F209-Y248 HydrophobicContact CE1-CD2 3.79Å; F209-Y248 AromaticContact CE1-CE2 3.9Å; F209-Y248 HydrophobicContact CE1-CE2 3.9Å; C243-Y248 HydrophobicContact CB-CD1 4.35Å; Y248-T276 HydrophobicContact CD1-CG2 3.99Å; Y248-T276 HydrophobicContact CD2-CG2 4.41Å; Y248-T276 HydrophobicContact CE1-CG2 3.86Å; Y248-T276 HydrophobicContact CE2-CG2 4.3Å; Y248-T276 HydrophobicContact CG-CG2 4.25Å
249	S	98.1	Very high	97.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.7	171.4	-48.2	0	0	0	0	110.2	I178 L179 F196 F209 Y210	I178-S249 CarbonylContact O-C 3.48Å; I178-S249 VanDerWaalsContact O-CA 3.26Å; I178-S249 WeakPolarHBondContact O-CA 3.4Å; L179-S249 WeakPolarHBondContact CD1-OG 3.5Å; F196-S249 VanDerWaalsContact CZ-OG 3.25Å; F196-S249 WeakPolarHBondContact CZ-OG 3.45Å; F209-S249 CarbonylContact C-O 3.53Å; F209-S249 WeakPolarHBondContact CA-O 3.46Å; Y210-S249 PolarHBondContact N-O 2.95Å; Y210-S249 PolarHBondContact O-N 3.25Å
250	L	97.8	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134	-179.2	177.7	62.9	0	0	0	109.4	W164 L165 Y177 I178 F209 A254 V255 L258	W164-L250 HydrophobicContact CH2-CD2 4.43Å; L165-L250 HydrophobicContact CD2-CD2 3.65Å; Y177-L250 CarbonylContact C-O 3.36Å; Y177-L250 WeakPolarHBondContact CA-O 3.14Å; I178-L250 HydrophobicContact CB-CB 4.36Å; I178-L250 PolarHBondContact N-O 3.03Å; I178-L250 PolarHBondContact O-N 3.33Å; F209-L250 HydrophobicContact CD1-CB 4.13Å; F209-L250 HydrophobicContact CD1-CD1 3.81Å; F209-L250 HydrophobicContact CD2-CD1 4.26Å; F209-L250 HydrophobicContact CE1-CB 4.08Å; F209-L250 HydrophobicContact CE1-CD1 3.61Å; F209-L250 HydrophobicContact CE1-CD2 4.19Å; F209-L250 HydrophobicContact CE1-CG 4.18Å; F209-L250 HydrophobicContact CE2-CD1 4.06Å; F209-L250 HydrophobicContact CG-CD1 4.14Å; F209-L250 HydrophobicContact CZ-CD1 3.74Å; F209-L250 HydrophobicContact CZ-CD2 4.43Å; L250-A254 HydrophobicContact CD1-CB 3.45Å; L250-A254 VanDerWaalsContact CD1-CB 3.45Å; L250-A254 HydrophobicContact CG-CB 4.28Å; L250-V255 HydrophobicContact CD2-CG2 3.81Å; L250-V255 HydrophobicContact CG-CG2 4.45Å; L250-L258 HydrophobicContact CD1-CD1 3.97Å; L250-L258 HydrophobicContact CD2-CD1 3.78Å
251	T	97.2	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135	170.3	55.5	0	0	0	0	110.5	Y177 P206 A208 Y210 P253 A254	Y177-T251 HydrophobicContact CD1-CG2 4.17Å; Y177-T251 HydrophobicContact CE1-CG2 3.93Å; P206-T251 WeakPolarHBondContact O-CG2 3.27Å; P206-T251 PolarHBondContact O-OG1 3.04Å; P206-T251 VanDerWaalsContact O-OG1 3.08Å; A208-T251 PolarHBondContact N-OG1 2.95Å; A208-T251 PolarHBondContact O-N 3.09Å; A208-T251 PolarHBondContact O-OG1 2.83Å; Y210-T251 HydrophobicContact CE2-CG2 3.89Å; T251-P253 VanDerWaalsContact C-CD 3.45Å; T251-P253 VanDerWaalsContact C-N 3.32Å; T251-A254 WeakPolarHBondContact O-CB 3.49Å; T251-A254 PolarHBondContact O-N 2.82Å
252	M	96.4	Very high	97.8	Very high	24 Å²	24	17.9 Å²	17.9	12%	0.118	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-53.9	-38.5	-177.8	-162.1	64.4	-162.4	0	0	114.7	A168 A175 K176 I178 A254 V255	A168-M252 HydrophobicContact CB-CE 4.41Å; A168-M252 WeakPolarHBondContact O-CE 3.45Å; A175-M252 WeakPolarHBondContact O-CB 3.13Å; A175-M252 VanDerWaalsContact O-CG 3.26Å; A175-M252 WeakPolarHBondContact O-CG 3.49Å; K176-M252 PolarHBondContact O-N 3.49Å; K176-M252 VanDerWaalsContact O-N 3.07Å; I178-M252 HydrophobicContact CD1-SD 3.81Å; I178-M252 HydrophobicContact CG1-SD 3.96Å; M252-A254 PolarHBondContact O-N 2.84Å; M252-V255 HydrophobicContact CE-CB 4.41Å; M252-V255 HydrophobicContact CE-CG2 4.14Å; M252-V255 WeakPolarHBondContact O-CB 3.43Å; M252-V255 WeakPolarHBondContact O-CG2 3.33Å; M252-V255 PolarHBondContact O-N 3.24Å; M252-V255 HydrophobicContact SD-CG2 3.88Å
253	P	96	Very high	97.7	Very high	69 Å²	69	23.3 Å²	23.3	45%	0.448	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-61.6	-13.8	175.2	-27.1	37.5	0	0	0	115.9	K207 T251 P257	K207-P253 HydrophobicContact CG-CB 4.45Å; T251-P253 VanDerWaalsContact C-CD 3.45Å; T251-P253 VanDerWaalsContact C-N 3.32Å; P253-P257 WeakPolarHBondContact O-CD 3.26Å
254	A	97.8	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-86.1	-13.3	176.7	0	0	0	0	0	113.3	K207 L250 T251 M252 P257 L258 V285	K207-A254 HydrophobicContact CB-CB 3.87Å; K207-A254 HydrophobicContact CG-CB 4.34Å; L250-A254 HydrophobicContact CD1-CB 3.45Å; L250-A254 VanDerWaalsContact CD1-CB 3.45Å; L250-A254 HydrophobicContact CG-CB 4.28Å; T251-A254 WeakPolarHBondContact O-CB 3.49Å; T251-A254 PolarHBondContact O-N 2.82Å; M252-A254 PolarHBondContact O-N 2.84Å; A254-P257 WeakPolarHBondContact O-CD 3.47Å; A254-L258 WeakPolarHBondContact O-CD1 3.47Å; A254-L258 VanDerWaalsContact O-CG 3.24Å; A254-L258 WeakPolarHBondContact O-CG 3.43Å; A254-L258 PolarHBondContact O-N 3Å; A254-V285 HydrophobicContact CB-CG1 3.98Å; A254-V285 HydrophobicContact CB-CG2 4.05Å
255	V	98.4	Very high	97.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-52	-174.5	176.1	0	0	0	0	111.9	L165 A169 I178 L250 M252 L258 L259	L165-V255 HydrophobicContact CB-CG1 4.3Å; L165-V255 HydrophobicContact CD2-CB 4.42Å; L165-V255 HydrophobicContact CD2-CG1 3.94Å; L165-V255 HydrophobicContact CD2-CG2 4.15Å; L165-V255 WeakPolarHBondContact O-CG1 3.39Å; A169-V255 HydrophobicContact CB-CG1 3.88Å; I178-V255 HydrophobicContact CD1-CG2 3.56Å; L250-V255 HydrophobicContact CD2-CG2 3.81Å; L250-V255 HydrophobicContact CG-CG2 4.45Å; M252-V255 HydrophobicContact CE-CB 4.41Å; M252-V255 HydrophobicContact CE-CG2 4.14Å; M252-V255 WeakPolarHBondContact O-CB 3.43Å; M252-V255 WeakPolarHBondContact O-CG2 3.33Å; M252-V255 PolarHBondContact O-N 3.24Å; M252-V255 HydrophobicContact SD-CG2 3.88Å; V255-L258 WeakPolarHBondContact O-CB 3.45Å; V255-L258 PolarHBondContact O-N 3.45Å; V255-L259 HydrophobicContact CG1-CD1 4.01Å; V255-L259 WeakPolarHBondContact O-CG 3.39Å; V255-L259 PolarHBondContact O-N 3.43Å
256	Q	98	Very high	97.8	Very high	100 Å²	100	30 Å²	30	47%	0.467	16%	0.16	S	C	.	.	H	α-helix	trans	-62.7	-46.1	-178.2	-172.2	63.7	48.2	0	0	112.3	L258 L259 D260	Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.36Å; Q256-L259 PolarHBondContact O-N 3.04Å; Q256-L259 VanDerWaalsContact O-N 3.11Å; Q256-D260 PolarHBondContact NE2-OD1 2.84Å; Q256-D260 VanDerWaalsContact O-CG 3.23Å; Q256-D260 PolarHBondContact O-N 3.35Å
257	P	98.4	Very high	97.9	Very high	30 Å²	30	30.6 Å²	30.6	20%	0.195	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-34.8	174	-30.1	39.3	0	0	0	114.6	K207 P253 A254 S261 A283	K207-P257 HydrophobicContact CD-CB 4.36Å; K207-P257 HydrophobicContact CD-CG 3.75Å; P253-P257 WeakPolarHBondContact O-CD 3.26Å; A254-P257 WeakPolarHBondContact O-CD 3.47Å; P257-S261 WeakPolarHBondContact O-CB 3.11Å; P257-S261 PolarHBondContact O-N 3.3Å; P257-S261 PolarHBondContact O-OG 3.39Å; P257-A283 HydrophobicContact CB-CB 3.89Å; P257-A283 WeakPolarHBondContact O-CB 3.32Å
258	L	98.8	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-45.9	174.1	-71.8	166.4	0	0	0	111.4	L165 F209 L250 A254 V255 Q256 D260 S261 V262 L279 A280 A283 V285	L165-L258 HydrophobicContact CD2-CD1 4.47Å; F209-L258 HydrophobicContact CE2-CD1 4Å; F209-L258 HydrophobicContact CE2-CD2 4.2Å; F209-L258 HydrophobicContact CZ-CD1 3.57Å; F209-L258 HydrophobicContact CZ-CD2 4.33Å; L250-L258 HydrophobicContact CD1-CD1 3.97Å; L250-L258 HydrophobicContact CD2-CD1 3.78Å; A254-L258 WeakPolarHBondContact O-CD1 3.47Å; A254-L258 VanDerWaalsContact O-CG 3.24Å; A254-L258 WeakPolarHBondContact O-CG 3.43Å; A254-L258 PolarHBondContact O-N 3Å; V255-L258 WeakPolarHBondContact O-CB 3.45Å; V255-L258 PolarHBondContact O-N 3.45Å; Q256-L258 VanDerWaalsContact C-N 3.27Å; Q256-L258 PolarHBondContact O-N 3.36Å; L258-D260 VanDerWaalsContact C-N 3.34Å; L258-D260 PolarHBondContact O-N 3.48Å; L258-S261 WeakPolarHBondContact O-CB 3.19Å; L258-S261 PolarHBondContact O-N 2.8Å; L258-S261 VanDerWaalsContact O-N 3.15Å; L258-V262 PolarHBondContact O-N 2.78Å; L258-L279 HydrophobicContact CD2-CB 3.75Å; L258-A280 HydrophobicContact CD2-CB 4.4Å; L258-A283 HydrophobicContact CD2-CB 4.18Å; L258-V285 HydrophobicContact CD2-CG2 4.29Å; L258-V285 HydrophobicContact CG-CG2 4.29Å
259	L	98.5	Very high	97.8	Very high	25 Å²	25	31.2 Å²	31.2	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-44.1	176.4	-71.3	171.1	0	0	0	111.5	I162 L165 N166 A169 V255 Q256 S261 V262	I162-L259 HydrophobicContact CG2-CD2 4.27Å; L165-L259 HydrophobicContact CB-CD2 3.8Å; L165-L259 HydrophobicContact CB-CG 4.22Å; N166-L259 HydrophobicContact CB-CD2 4.29Å; A169-L259 HydrophobicContact CB-CD1 4.18Å; V255-L259 HydrophobicContact CG1-CD1 4.01Å; V255-L259 WeakPolarHBondContact O-CG 3.39Å; V255-L259 PolarHBondContact O-N 3.43Å; Q256-L259 PolarHBondContact O-N 3.04Å; Q256-L259 VanDerWaalsContact O-N 3.11Å; L259-S261 PolarHBondContact O-N 3.37Å; L259-V262 WeakPolarHBondContact O-CB 3.19Å; L259-V262 WeakPolarHBondContact O-CG2 3.33Å; L259-V262 PolarHBondContact O-N 2.72Å
260	D	98.2	Very high	97.8	Very high	76 Å²	76	32 Å²	32	41%	0.406	17%	0.168	S	C	.	.	H	α-helix	trans	-62.8	-27.8	177.6	-65.5	-25	0	0	0	112.5	Q256 L258	Q256-D260 PolarHBondContact NE2-OD1 2.84Å; Q256-D260 VanDerWaalsContact O-CG 3.23Å; Q256-D260 PolarHBondContact O-N 3.35Å; L258-D260 VanDerWaalsContact C-N 3.34Å; L258-D260 PolarHBondContact O-N 3.48Å
261	S	98.6	Very high	97.8	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-79.3	-16.3	180	-63.5	0	0	0	0	113.9	P257 L258 L259 K263 L264 T265 A283	P257-S261 WeakPolarHBondContact O-CB 3.11Å; P257-S261 PolarHBondContact O-N 3.3Å; P257-S261 PolarHBondContact O-OG 3.39Å; L258-S261 WeakPolarHBondContact O-CB 3.19Å; L258-S261 PolarHBondContact O-N 2.8Å; L258-S261 VanDerWaalsContact O-N 3.15Å; L259-S261 PolarHBondContact O-N 3.37Å; S261-K263 VanDerWaalsContact C-N 3.32Å; S261-K263 PolarHBondContact O-N 3.29Å; S261-L264 PolarHBondContact O-N 2.93Å; S261-L264 VanDerWaalsContact O-N 3.08Å; S261-T265 WeakPolarHBondContact O-CB 3.49Å; S261-T265 PolarHBondContact O-N 3.17Å; S261-T265 VanDerWaalsContact O-N 3.15Å; S261-T265 PolarHBondContact O-OG1 3.08Å; S261-A283 WeakPolarHBondContact OG-CB 3.36Å; S261-A283 PolarHBondContact OG-N 3.32Å
262	V	98.4	Very high	97.9	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-42.8	-178.5	174.8	0	0	0	0	111.6	V51 L53 I162 L258 L259 L264 L279	V51-V262 HydrophobicContact CG1-CG1 4.29Å; L53-V262 HydrophobicContact CD2-CG1 3.94Å; I162-V262 HydrophobicContact CD1-CG1 4.04Å; I162-V262 HydrophobicContact CD1-CG2 4.38Å; I162-V262 HydrophobicContact CG1-CG2 4.11Å; I162-V262 HydrophobicContact CG2-CG2 4.43Å; L258-V262 PolarHBondContact O-N 2.78Å; L259-V262 WeakPolarHBondContact O-CB 3.19Å; L259-V262 WeakPolarHBondContact O-CG2 3.33Å; L259-V262 PolarHBondContact O-N 2.72Å; V262-L264 PolarHBondContact O-N 3.28Å; V262-L279 HydrophobicContact CG2-CD1 3.78Å; V262-L279 HydrophobicContact CG2-CD2 4.36Å
263	K	97	Very high	98	Very high	121 Å²	121	32.6 Å²	32.6	53%	0.526	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.5	179.9	71	-171.9	176.2	-174.8	0	114.1	K52 S261	K52-K263 HydrophobicContact CB-CB 4.31Å; K52-K263 HydrophobicContact CG-CB 4.47Å; K52-K263 WeakPolarHBondContact O-CA 3.42Å; S261-K263 VanDerWaalsContact C-N 3.32Å; S261-K263 PolarHBondContact O-N 3.29Å
264	L	97.7	Very high	98.1	Very high	108 Å²	108	29.3 Å²	29.3	57%	0.565	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-10	-174.2	-57.3	179	0	0	0	112.5	S261 V262 T282	S261-L264 PolarHBondContact O-N 2.93Å; S261-L264 VanDerWaalsContact O-N 3.08Å; V262-L264 PolarHBondContact O-N 3.28Å; L264-T282 HydrophobicContact CB-CG2 4.13Å; L264-T282 HydrophobicContact CD1-CG2 4.42Å
265	T	98.3	Very high	98.1	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	-121.1	126.7	-169.7	-51.2	0	0	0	0	109.3	S261 F267 Y274 L278 L279 T282	S261-T265 WeakPolarHBondContact O-CB 3.49Å; S261-T265 PolarHBondContact O-N 3.17Å; S261-T265 VanDerWaalsContact O-N 3.15Å; S261-T265 PolarHBondContact O-OG1 3.08Å; T265-F267 PolarHBondContact O-N 2.81Å; T265-Y274 HydrophobicContact CG2-CE2 4.16Å; T265-L278 HydrophobicContact CG2-CB 3.68Å; T265-L279 HydrophobicContact CG2-CD2 4.01Å; T265-T282 WeakPolarHBondContact OG1-CB 3.22Å; T265-T282 PolarHBondContact OG1-OG1 2.97Å
266	P	97.9	Very high	98.2	Very high	45 Å²	45	29.2 Å²	29.2	29%	0.292	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-55.4	128.5	175.2	-26.6	35.1	0	0	0	111.9	L54 R56 Y274	L54-P266 HydrophobicContact CD2-CG 4.34Å; L54-P266 CarbonylContact O-C 3.57Å; L54-P266 VanDerWaalsContact O-CA 3.32Å; L54-P266 WeakPolarHBondContact O-CA 3.42Å; R56-P266 HydrophobicContact CG-CB 3.59Å; R56-P266 HydrophobicContact CG-CG 4.23Å; P266-Y274 WeakPolarHBondContact O-CE2 3.41Å
267	F	98	Very high	98.2	Very high	23 Å²	23	24.4 Å²	24.4	10%	0.101	13%	0.127	C	C	.	.			trans	-63.5	138.2	-176.7	-179.5	-103.2	0	0	0	111	L53 L54 Y55 L159 T265 W269 Y274	L53-F267 HydrophobicContact CD1-CD2 4.35Å; L53-F267 HydrophobicContact CD1-CE2 4.48Å; L53-F267 HydrophobicContact CD2-CD2 3.86Å; L53-F267 HydrophobicContact CD2-CE2 4.31Å; L54-F267 WeakPolarHBondContact O-CB 3.41Å; L54-F267 PolarHBondContact O-N 2.87Å; Y55-F267 HydrophobicContact CE1-CB 4.46Å; Y55-F267 HydrophobicContact CE1-CD1 4.01Å; L159-F267 HydrophobicContact CD2-CE2 3.67Å; L159-F267 HydrophobicContact CD2-CZ 3.82Å; L159-F267 HydrophobicContact CG-CE2 4.43Å; L159-F267 HydrophobicContact CG-CZ 4.2Å; T265-F267 PolarHBondContact O-N 2.81Å; F267-W269 HydrophobicContact CE1-CB 4.31Å; F267-Y274 HydrophobicContact CD2-CE1 4.05Å; F267-Y274 HydrophobicContact CE2-CE1 4.43Å
268	L	98.1	Very high	98.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.125	C	C	.	.			trans	-135.9	137.9	170.4	179.2	66.5	0	0	0	107.4	S158 V229 E233 F234 F239 L270 V273 Y274 L278	S158-L268 WeakPolarHBondContact CB-O 3.45Å; S158-L268 PolarHBondContact OG-O 3.19Å; V229-L268 HydrophobicContact CG1-CD1 3.71Å; V229-L268 HydrophobicContact CG2-CD1 4.21Å; E233-L268 HydrophobicContact CB-CD1 4.48Å; F234-L268 HydrophobicContact CB-CD1 4.34Å; F234-L268 HydrophobicContact CD2-CD2 4.4Å; F239-L268 HydrophobicContact CE1-CD2 3.96Å; L268-L270 HydrophobicContact CD2-CB 4.32Å; L268-L270 HydrophobicContact CG-CB 4.28Å; L268-V273 HydrophobicContact CD2-CB 3.92Å; L268-V273 HydrophobicContact CD2-CG1 3.55Å; L268-Y274 HydrophobicContact CB-CD2 4.07Å; L268-Y274 HydrophobicContact CB-CG 4.42Å; L268-Y274 WeakPolarHBondContact O-CB 3.45Å; L268-L278 HydrophobicContact CB-CD1 4.1Å; L268-L278 HydrophobicContact CD2-CD1 4.1Å
269	W	96.8	Very high	98.2	Very high	12 Å²	12	24.3 Å²	24.3	5%	0.045	13%	0.125	C	C	.	.	S	Bend	trans	-75.4	-27.3	-172.5	66.7	-95.6	0	0	0	113.8	H155 S158 K226 Y228 F267 D271	H155-W269 AromaticContact CD2-CD1 3.95Å; H155-W269 AromaticContact CD2-CD2 3.59Å; H155-W269 AromaticContact CD2-CE2 3.67Å; H155-W269 AromaticContact CD2-CG 3.8Å; H155-W269 AromaticContact CD2-NE1 3.88Å; H155-W269 AromaticContact NE2-CE2 3.87Å; H155-W269 AromaticContact NE2-CZ2 3.98Å; H155-W269 WeakPolarHBondContact O-CB 3.21Å; S158-W269 WeakPolarHBondContact CB-O 3.18Å; S158-W269 PolarHBondContact N-O 3.24Å; S158-W269 VanDerWaalsContact OG-C 3.23Å; S158-W269 PolarHBondContact OG-O 3.18Å; K226-W269 VanDerWaalsContact O-CH2 3.31Å; K226-W269 WeakPolarHBondContact O-CH2 3.44Å; Y228-W269 WeakPolarHBondContact O-CZ2 3.44Å; F267-W269 HydrophobicContact CE1-CB 4.31Å; W269-D271 PolarHBondContact O-N 3.36Å; W269-D271 VanDerWaalsContact O-N 3.08Å
270	L	98	Very high	98.2	Very high	15 Å²	15	23.1 Å²	23.1	8%	0.079	12%	0.119	C	C	.	.			trans	-63.3	103.1	173.7	-66.4	171.4	0	0	0	110.4	V229 F239 L268 D272 V273 Y274	V229-L270 HydrophobicContact CG2-CD1 3.57Å; V229-L270 HydrophobicContact CG2-CG 4.3Å; F239-L270 HydrophobicContact CE1-CD1 4.36Å; F239-L270 HydrophobicContact CE2-CD1 4.06Å; F239-L270 HydrophobicContact CZ-CD1 3.57Å; L268-L270 HydrophobicContact CD2-CB 4.32Å; L268-L270 HydrophobicContact CG-CB 4.28Å; L270-D272 VanDerWaalsContact C-N 3.32Å; L270-D272 PolarHBondContact O-N 3.45Å; L270-V273 HydrophobicContact CB-CB 4.14Å; L270-V273 HydrophobicContact CB-CG2 4.22Å; L270-V273 HydrophobicContact CD1-CG2 4.25Å; L270-V273 PolarHBondContact O-N 3.16Å; L270-Y274 WeakPolarHBondContact O-CB 3.31Å; L270-Y274 PolarHBondContact O-N 2.81Å
271	D	97.9	Very high	98.2	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-37.8	-172.2	72.5	-49.8	0	0	0	113.1	H89 L157 S158 A161 K180 W269 I275	H89-D271 IonicContact CE1-OD2 3.43Å; L157-D271 HydrophobicContact CB-CB 3.86Å; S158-D271 WeakPolarHBondContact OG-CA 3.22Å; S158-D271 PolarHBondContact OG-N 3.38Å; A161-D271 HydrophobicContact CB-CB 4.19Å; K180-D271 WeakPolarHBondContact CE-OD2 3.43Å; K180-D271 IonicContact NZ-OD2 2.78Å; K180-D271 PolarHBondContact NZ-OD2 2.93Å; W269-D271 PolarHBondContact O-N 3.36Å; W269-D271 VanDerWaalsContact O-N 3.08Å; D271-I275 HydrophobicContact CB-CG1 4.47Å; D271-I275 WeakPolarHBondContact O-CB 3.31Å; D271-I275 WeakPolarHBondContact O-CG1 3.33Å; D271-I275 PolarHBondContact O-N 3.32Å
272	D	98	Very high	98.2	Very high	27 Å²	27	26 Å²	26	14%	0.144	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-47.6	-180	65	-12.4	0	0	0	111.5	F242 C243 G245 L270 T276	F242-D272 HydrophobicContact CD2-CB 4.23Å; F242-D272 HydrophobicContact CE2-CB 4.48Å; C243-D272 WeakPolarHBondContact O-CB 3.5Å; G245-D272 PolarHBondContact N-OD2 2.83Å; G245-D272 VanDerWaalsContact N-OD2 3.14Å; L270-D272 VanDerWaalsContact C-N 3.32Å; L270-D272 PolarHBondContact O-N 3.45Å; D272-T276 WeakPolarHBondContact O-CB 3.38Å; D272-T276 PolarHBondContact O-N 3.46Å; D272-T276 VanDerWaalsContact O-N 3.12Å; D272-T276 PolarHBondContact O-OG1 3.3Å
273	V	98.6	Very high	98.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-46	174.4	-179.2	0	0	0	0	111.5	F239 F242 L268 L270 G277 L278	F239-V273 HydrophobicContact CB-CG1 4.14Å; F239-V273 HydrophobicContact CD1-CB 4.49Å; F239-V273 HydrophobicContact CD1-CG1 3.5Å; F239-V273 VanDerWaalsContact CD1-CG1 3.5Å; F239-V273 HydrophobicContact CD1-CG2 4.26Å; F239-V273 HydrophobicContact CD2-CG2 3.98Å; F239-V273 HydrophobicContact CE1-CG1 3.97Å; F239-V273 HydrophobicContact CE1-CG2 4.45Å; F239-V273 HydrophobicContact CE2-CG2 4.18Å; F239-V273 HydrophobicContact CG-CG1 3.86Å; F239-V273 HydrophobicContact CG-CG2 4.01Å; F239-V273 HydrophobicContact CZ-CG2 4.41Å; F242-V273 HydrophobicContact CD1-CG2 4.48Å; F242-V273 HydrophobicContact CD2-CB 4.47Å; F242-V273 HydrophobicContact CD2-CG2 3.78Å; F242-V273 HydrophobicContact CE1-CG2 4.41Å; F242-V273 HydrophobicContact CE2-CG2 3.72Å; F242-V273 HydrophobicContact CG-CG2 4.18Å; F242-V273 HydrophobicContact CZ-CG2 4.04Å; L268-V273 HydrophobicContact CD2-CB 3.92Å; L268-V273 HydrophobicContact CD2-CG1 3.55Å; L270-V273 HydrophobicContact CB-CB 4.14Å; L270-V273 HydrophobicContact CB-CG2 4.22Å; L270-V273 HydrophobicContact CD1-CG2 4.25Å; L270-V273 PolarHBondContact O-N 3.16Å; V273-G277 CarbonylContact O-C 3.57Å; V273-G277 WeakPolarHBondContact O-CA 3.5Å; V273-G277 PolarHBondContact O-N 3.06Å; V273-L278 PolarHBondContact O-N 3.37Å
274	Y	98.7	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-67.9	-55.8	-175.6	-177.2	-116.7	0	0	0	111.5	I162 T265 P266 F267 L268 L270 L278 L279	I162-Y274 HydrophobicContact CD1-CE1 4.06Å; I162-Y274 HydrophobicContact CG1-CE1 4.46Å; T265-Y274 HydrophobicContact CG2-CE2 4.16Å; P266-Y274 WeakPolarHBondContact O-CE2 3.41Å; F267-Y274 HydrophobicContact CD2-CE1 4.05Å; F267-Y274 HydrophobicContact CE2-CE1 4.43Å; L268-Y274 HydrophobicContact CB-CD2 4.07Å; L268-Y274 HydrophobicContact CB-CG 4.42Å; L268-Y274 WeakPolarHBondContact O-CB 3.45Å; L270-Y274 WeakPolarHBondContact O-CB 3.31Å; L270-Y274 PolarHBondContact O-N 2.81Å; Y274-L278 HydrophobicContact CD2-CB 4.31Å; Y274-L278 HydrophobicContact CD2-CD1 4.08Å; Y274-L278 PolarHBondContact O-N 2.91Å; Y274-L279 HydrophobicContact CD1-CD1 4.19Å; Y274-L279 HydrophobicContact CD1-CG 4.31Å; Y274-L279 HydrophobicContact CE1-CD1 3.77Å; Y274-L279 HydrophobicContact CE1-CD2 4.2Å; Y274-L279 HydrophobicContact CE1-CG 4Å; Y274-L279 HydrophobicContact CE2-CD2 3.95Å; Y274-L279 HydrophobicContact CE2-CG 4.22Å; Y274-L279 WeakPolarHBondContact O-CG 3.41Å; Y274-L279 PolarHBondContact O-N 3.28Å
275	I	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-71.9	-45.5	-174.5	-54.7	-64.4	0	0	0	111.5	A161 I162 L165 F209 D271 L279 A280	A161-I275 HydrophobicContact CB-CD1 3.84Å; A161-I275 HydrophobicContact CB-CG1 3.6Å; I162-I275 HydrophobicContact CG1-CD1 4.11Å; L165-I275 HydrophobicContact CD1-CD1 4.36Å; L165-I275 HydrophobicContact CD1-CG2 4.07Å; F209-I275 HydrophobicContact CZ-CG2 4.19Å; D271-I275 HydrophobicContact CB-CG1 4.47Å; D271-I275 WeakPolarHBondContact O-CB 3.31Å; D271-I275 WeakPolarHBondContact O-CG1 3.33Å; D271-I275 PolarHBondContact O-N 3.32Å; I275-L279 HydrophobicContact CD1-CD1 3.69Å; I275-A280 PolarHBondContact O-N 3Å
276	T	98.8	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-99.3	-8.5	-170.5	81.7	0	0	0	0	113.7	F209 C243 Y248 D272 A280 R287	F209-T276 HydrophobicContact CD1-CG2 4.08Å; F209-T276 HydrophobicContact CE1-CG2 3.7Å; F209-T276 HydrophobicContact CE2-CG2 4.45Å; F209-T276 HydrophobicContact CZ-CG2 3.9Å; C243-T276 HydrophobicContact CB-CG2 3.95Å; C243-T276 WeakPolarHBondContact CB-OG1 3.39Å; C243-T276 PolarHBondContact N-OG1 3.34Å; Y248-T276 HydrophobicContact CD1-CG2 3.99Å; Y248-T276 HydrophobicContact CD2-CG2 4.41Å; Y248-T276 HydrophobicContact CE1-CG2 3.86Å; Y248-T276 HydrophobicContact CE2-CG2 4.3Å; Y248-T276 HydrophobicContact CG-CG2 4.25Å; D272-T276 WeakPolarHBondContact O-CB 3.38Å; D272-T276 PolarHBondContact O-N 3.46Å; D272-T276 VanDerWaalsContact O-N 3.12Å; D272-T276 PolarHBondContact O-OG1 3.3Å; T276-A280 VanDerWaalsContact O-CB 3.24Å; T276-A280 WeakPolarHBondContact O-CB 3.37Å; T276-R287 VanDerWaalsContact O-CD 3.31Å; T276-R287 WeakPolarHBondContact O-CD 3.38Å; T276-R287 PolarHBondContact O-NE 2.95Å
277	G	98.8	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-108.2	-73	174.1	0	0	0	0	0	111.8	V273 N281	V273-G277 CarbonylContact O-C 3.57Å; V273-G277 WeakPolarHBondContact O-CA 3.5Å; V273-G277 PolarHBondContact O-N 3.06Å; G277-N281 WeakPolarHBondContact O-CB 3.41Å; G277-N281 PolarHBondContact O-N 3.21Å; G277-N281 PolarHBondContact O-ND2 3.46Å
278	L	98.7	Very high	98.1	Very high	28 Å²	28	24 Å²	24	15%	0.147	13%	0.127	C	C	.	.	I	π-helix	trans	-68	-57.3	-171.8	-61.7	174.1	0	0	0	112.4	F234 P240 T265 L268 V273 Y274 A280 N281 T282	F234-L278 HydrophobicContact CE2-CD1 4.35Å; F234-L278 HydrophobicContact CE2-CD2 4.1Å; P240-L278 HydrophobicContact CG-CD2 3.81Å; P240-L278 HydrophobicContact CG-CG 4.36Å; T265-L278 HydrophobicContact CG2-CB 3.68Å; L268-L278 HydrophobicContact CB-CD1 4.1Å; L268-L278 HydrophobicContact CD2-CD1 4.1Å; V273-L278 PolarHBondContact O-N 3.37Å; Y274-L278 HydrophobicContact CD2-CB 4.31Å; Y274-L278 HydrophobicContact CD2-CD1 4.08Å; Y274-L278 PolarHBondContact O-N 2.91Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.39Å; L278-N281 WeakPolarHBondContact O-CB 3.22Å; L278-N281 PolarHBondContact O-N 2.9Å; L278-N281 VanDerWaalsContact O-N 3.13Å; L278-T282 PolarHBondContact O-N 3.13Å; L278-T282 VanDerWaalsContact O-N 3.1Å; L278-T282 PolarHBondContact O-OG1 3.24Å
279	L	98.8	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-38.8	176.3	-62.3	-170.6	0	0	0	111.4	L258 V262 T265 Y274 I275 N281 T282 A283	L258-L279 HydrophobicContact CD2-CB 3.75Å; V262-L279 HydrophobicContact CG2-CD1 3.78Å; V262-L279 HydrophobicContact CG2-CD2 4.36Å; T265-L279 HydrophobicContact CG2-CD2 4.01Å; Y274-L279 HydrophobicContact CD1-CD1 4.19Å; Y274-L279 HydrophobicContact CD1-CG 4.31Å; Y274-L279 HydrophobicContact CE1-CD1 3.77Å; Y274-L279 HydrophobicContact CE1-CD2 4.2Å; Y274-L279 HydrophobicContact CE1-CG 4Å; Y274-L279 HydrophobicContact CE2-CD2 3.95Å; Y274-L279 HydrophobicContact CE2-CG 4.22Å; Y274-L279 WeakPolarHBondContact O-CG 3.41Å; Y274-L279 PolarHBondContact O-N 3.28Å; I275-L279 HydrophobicContact CD1-CD1 3.69Å; L279-N281 VanDerWaalsContact C-N 3.3Å; L279-N281 PolarHBondContact O-N 3.47Å; L279-T282 PolarHBondContact O-N 2.97Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 3.11Å
280	A	98.7	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-34.5	177.4	0	0	0	0	0	112.9	F209 L258 I275 T276 L278 N284 V285	F209-A280 HydrophobicContact CD2-CB 4.33Å; F209-A280 HydrophobicContact CE2-CB 3.88Å; L258-A280 HydrophobicContact CD2-CB 4.4Å; I275-A280 PolarHBondContact O-N 3Å; T276-A280 VanDerWaalsContact O-CB 3.24Å; T276-A280 WeakPolarHBondContact O-CB 3.37Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.39Å; A280-N284 PolarHBondContact O-N 2.85Å; A280-V285 HydrophobicContact CB-CB 4.19Å; A280-V285 PolarHBondContact O-N 2.83Å
281	N	98.5	Very high	97.8	Very high	76 Å²	76	31.9 Å²	31.9	41%	0.406	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-52.3	172.1	-77.8	-17.4	0	0	0	111	G277 L278 L279 A283 N284 R287	G277-N281 WeakPolarHBondContact O-CB 3.41Å; G277-N281 PolarHBondContact O-N 3.21Å; G277-N281 PolarHBondContact O-ND2 3.46Å; L278-N281 WeakPolarHBondContact O-CB 3.22Å; L278-N281 PolarHBondContact O-N 2.9Å; L278-N281 VanDerWaalsContact O-N 3.13Å; L279-N281 VanDerWaalsContact C-N 3.3Å; L279-N281 PolarHBondContact O-N 3.47Å; N281-A283 VanDerWaalsContact C-N 3.28Å; N281-A283 PolarHBondContact O-N 3.03Å; N281-N284 PolarHBondContact O-N 2.95Å; N281-N284 VanDerWaalsContact O-N 3.17Å; N281-R287 PolarHBondContact OD1-NH1 3.43Å; N281-R287 PolarHBondContact OD1-NH2 2.76Å
282	T	98.6	Very high	97.5	Very high	67 Å²	67	35.8 Å²	35.8	41%	0.411	19%	0.191	S	C	.	.	H	α-helix	trans	-58.5	-40.1	179.5	-52.9	0	0	0	0	111.9	L264 T265 L278 L279 N284	L264-T282 HydrophobicContact CB-CG2 4.13Å; L264-T282 HydrophobicContact CD1-CG2 4.42Å; T265-T282 WeakPolarHBondContact OG1-CB 3.22Å; T265-T282 PolarHBondContact OG1-OG1 2.97Å; L278-T282 PolarHBondContact O-N 3.13Å; L278-T282 VanDerWaalsContact O-N 3.1Å; L278-T282 PolarHBondContact O-OG1 3.24Å; L279-T282 PolarHBondContact O-N 2.97Å; T282-N284 VanDerWaalsContact C-N 3.32Å; T282-N284 PolarHBondContact O-N 3.33Å
283	A	98.4	Very high	97.3	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.6	-177.9	0	0	0	0	0	114.7	K207 P257 L258 S261 L279 N281 V285	K207-A283 PolarHBondContact NZ-O 3.22Å; P257-A283 HydrophobicContact CB-CB 3.89Å; P257-A283 WeakPolarHBondContact O-CB 3.32Å; L258-A283 HydrophobicContact CD2-CB 4.18Å; S261-A283 WeakPolarHBondContact OG-CB 3.36Å; S261-A283 PolarHBondContact OG-N 3.32Å; L279-A283 WeakPolarHBondContact O-CB 3.42Å; L279-A283 PolarHBondContact O-N 3.11Å; N281-A283 VanDerWaalsContact C-N 3.28Å; N281-A283 PolarHBondContact O-N 3.03Å; A283-V285 HydrophobicContact CB-CG2 3.64Å; A283-V285 PolarHBondContact O-N 2.91Å
284	N	97.7	Very high	97	Very high	118 Å²	118	35.9 Å²	35.9	63%	0.631	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	53.3	-169.7	-166.7	28.3	0	0	0	112.3	A280 N281 T282	A280-N284 PolarHBondContact O-N 2.85Å; N281-N284 PolarHBondContact O-N 2.95Å; N281-N284 VanDerWaalsContact O-N 3.17Å; T282-N284 VanDerWaalsContact C-N 3.32Å; T282-N284 PolarHBondContact O-N 3.33Å
285	V	98.1	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.			trans	-103.1	125.2	177.6	178.7	0	0	0	0	109	K207 F209 A254 L258 A280 A283 R287	K207-V285 HydrophobicContact CB-CG2 4.22Å; F209-V285 HydrophobicContact CD2-CG1 3.59Å; F209-V285 HydrophobicContact CE2-CB 4.46Å; F209-V285 HydrophobicContact CE2-CG1 3.72Å; A254-V285 HydrophobicContact CB-CG1 3.98Å; A254-V285 HydrophobicContact CB-CG2 4.05Å; L258-V285 HydrophobicContact CD2-CG2 4.29Å; L258-V285 HydrophobicContact CG-CG2 4.29Å; A280-V285 HydrophobicContact CB-CB 4.19Å; A280-V285 PolarHBondContact O-N 2.83Å; A283-V285 HydrophobicContact CB-CG2 3.64Å; A283-V285 PolarHBondContact O-N 2.91Å; V285-R287 WeakPolarHBondContact O-CD 3.43Å; V285-R287 PolarHBondContact O-NH1 3Å
286	E	97	Very high	96.1	Very high	78 Å²	78	39.5 Å²	39.5	36%	0.364	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	154.3	-177.3	-82.8	-56.5	127.6	0	0	112.8	K207 A208 F209 R241	K207-E286 PolarHBondContact O-N 2.87Å; A208-E286 CarbonylContact C-O 3.51Å; A208-E286 WeakPolarHBondContact CA-O 3.31Å; A208-E286 HydrophobicContact CB-CB 4.26Å; F209-E286 PolarHBondContact N-O 3.07Å; R241-E286 IonicContact CZ-OE1 2.68Å; R241-E286 IonicContact CZ-OE2 3.97Å; R241-E286 IonicContact NH1-OE1 3.2Å; R241-E286 IonicContact NH1-OE2 2.7Å; R241-E286 PolarHBondContact NH1-OE2 3.25Å; R241-E286 IonicContact NH2-OE1 3.44Å; R241-E286 PolarHBondContact NH2-OE1 2.85Å; R241-E286 IonicContact NH2-OE2 3.82Å; R241-E286 PolarHBondContact NH2-OE2 3.2Å
287	R	97.5	Very high	95.2	Very high	11 Å²	11	46.1 Å²	46.1	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	95.4	175.2	-75.6	80.1	76.6	-168.7	16.2	108.5	F209 V213 R241 T276 N281 V285 K289	F209-R287 HydrophobicContact CB-CG 4.24Å; F209-R287 HydrophobicContact CD2-CG 4.32Å; V213-R287 HydrophobicContact CG2-CB 4.07Å; R241-R287 VanDerWaalsContact NH2-NH1 3.11Å; R241-R287 PolarHBondContact O-NE 3.17Å; R241-R287 PolarHBondContact O-NH2 2.77Å; T276-R287 VanDerWaalsContact O-CD 3.31Å; T276-R287 WeakPolarHBondContact O-CD 3.38Å; T276-R287 PolarHBondContact O-NE 2.95Å; N281-R287 PolarHBondContact OD1-NH1 3.43Å; N281-R287 PolarHBondContact OD1-NH2 2.76Å; V285-R287 WeakPolarHBondContact O-CD 3.43Å; V285-R287 PolarHBondContact O-NH1 3Å; R287-K289 PolarHBondContact O-N 3.13Å
288	I	95.9	Very high	93.5	Very high	52 Å²	52	47.4 Å²	47.4	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.3	-178.1	-61.2	172.9	0	0	0	108.6	A208 F209 Y210 C211 I290	A208-I288 HydrophobicContact CB-CD1 3.73Å; A208-I288 HydrophobicContact CB-CG1 4.21Å; F209-I288 PolarHBondContact O-N 3.31Å; Y210-I288 HydrophobicContact CD1-CB 3.61Å; Y210-I288 HydrophobicContact CD1-CD1 4.01Å; Y210-I288 HydrophobicContact CD1-CG1 4.37Å; Y210-I288 HydrophobicContact CD1-CG2 3.66Å; Y210-I288 HydrophobicContact CE1-CB 3.89Å; Y210-I288 HydrophobicContact CE1-CD1 3.37Å; Y210-I288 HydrophobicContact CE1-CG1 4.19Å; Y210-I288 HydrophobicContact CE1-CG2 3.84Å; Y210-I288 HydrophobicContact CG-CB 4.47Å; C211-I288 PolarHBondContact N-O 3.37Å; I288-I290 PolarHBondContact O-N 2.97Å
289	K	96.1	Very high	91.4	Very high	148 Å²	148	52.2 Å²	52.2	64%	0.643	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	118.7	-177.3	-169.3	-168.1	175.2	179.7	0	110.7	V213 R287 N291	V213-K289 HydrophobicContact CB-CG 4.38Å; V213-K289 HydrophobicContact CG2-CB 4.16Å; V213-K289 HydrophobicContact CG2-CG 4.49Å; R287-K289 PolarHBondContact O-N 3.13Å; K289-N291 HydrophobicContact CG-CB 4.34Å; K289-N291 WeakPolarHBondContact CG-OD1 3.27Å
290	I	94.8	Very high	89.1	Confident	18 Å²	18	53.6 Å²	53.6	9%	0.092	29%	0.292	C	S	.	.			trans	-127.5	33	169.1	52.8	161	0	0	0	111.1	F195 C211 I288 S292 I293 Y294	F195-I290 HydrophobicContact CE2-CG2 3.88Å; F195-I290 HydrophobicContact CZ-CD1 4.49Å; F195-I290 HydrophobicContact CZ-CG2 4.03Å; C211-I290 VanDerWaalsContact N-CG1 3.26Å; C211-I290 WeakPolarHBondContact O-CG1 3.39Å; C211-I290 PolarHBondContact O-N 3.2Å; I288-I290 PolarHBondContact O-N 2.97Å; I290-S292 PolarHBondContact O-N 3.11Å; I290-I293 HydrophobicContact CB-CD1 4.36Å; I290-I293 HydrophobicContact CB-CG1 4.26Å; I290-I293 HydrophobicContact CD1-CD1 3.8Å; I290-I293 HydrophobicContact CD1-CG1 4.18Å; I290-I293 WeakPolarHBondContact O-CG1 3.32Å; I290-I293 PolarHBondContact O-N 3.27Å; I290-I293 VanDerWaalsContact O-N 3.11Å; I290-Y294 HydrophobicContact CD1-CE2 3.91Å; I290-Y294 HydrophobicContact CG1-CE2 3.99Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å
291	N	94.7	Very high	86.8	Confident	27 Å²	27	60.8 Å²	60.8	14%	0.144	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27	-176.4	-62.2	38.5	0	0	0	113.8	F212 V213 K289 I293 Y294	F212-N291 WeakPolarHBondContact CA-OD1 3.36Å; F212-N291 WeakPolarHBondContact CD1-ND2 3.49Å; F212-N291 HydrophobicContact CD2-CB 3.59Å; F212-N291 WeakPolarHBondContact CE1-ND2 3.42Å; F212-N291 HydrophobicContact CE2-CB 3.79Å; F212-N291 WeakPolarHBondContact CE2-ND2 3.43Å; F212-N291 HydrophobicContact CG-CB 4.2Å; F212-N291 WeakPolarHBondContact CZ-ND2 3.4Å; V213-N291 PolarHBondContact N-OD1 2.87Å; V213-N291 PolarHBondContact O-ND2 3.17Å; K289-N291 HydrophobicContact CG-CB 4.34Å; K289-N291 WeakPolarHBondContact CG-OD1 3.27Å; N291-I293 PolarHBondContact O-N 3.07Å; N291-Y294 PolarHBondContact O-N 2.75Å
292	S	92.5	Very high	84.4	Confident	91 Å²	91	61 Å²	61	64%	0.636	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.8	-179	59.3	0	0	0	0	114.4	I290	I290-S292 PolarHBondContact O-N 3.11Å
293	I	92.7	Very high	82.3	Confident	19 Å²	19	59.9 Å²	59.9	10%	0.097	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-106	14.7	177.3	75.6	173.5	0	0	0	112.9	I290 N291 P307 V309 F310	I290-I293 HydrophobicContact CB-CD1 4.36Å; I290-I293 HydrophobicContact CB-CG1 4.26Å; I290-I293 HydrophobicContact CD1-CD1 3.8Å; I290-I293 HydrophobicContact CD1-CG1 4.18Å; I290-I293 WeakPolarHBondContact O-CG1 3.32Å; I290-I293 PolarHBondContact O-N 3.27Å; I290-I293 VanDerWaalsContact O-N 3.11Å; N291-I293 PolarHBondContact O-N 3.07Å; I293-P307 WeakPolarHBondContact CA-O 3.29Å; I293-P307 WeakPolarHBondContact CB-O 3.41Å; I293-P307 HydrophobicContact CG2-CB 4.5Å; I293-P307 WeakPolarHBondContact CG2-O 3.07Å; I293-V309 HydrophobicContact CB-CB 4.07Å; I293-V309 HydrophobicContact CB-CG2 4.04Å; I293-V309 HydrophobicContact CD1-CB 3.88Å; I293-V309 HydrophobicContact CD1-CG1 4.39Å; I293-V309 HydrophobicContact CD1-CG2 3.9Å; I293-V309 HydrophobicContact CG1-CB 4.12Å; I293-V309 HydrophobicContact CG1-CG2 4.38Å; I293-V309 PolarHBondContact O-N 2.8Å; I293-F310 HydrophobicContact CD1-CE2 4.22Å; I293-F310 HydrophobicContact CG1-CD2 4.34Å; I293-F310 PolarHBondContact O-N 3.25Å
294	Y	93.6	Very high	80	Confident	12 Å²	12	64.3 Å²	64.3	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.1	-179.8	-78.8	-108.1	0	0	0	111.2	C211 F212 S247 I290 N291 L296 F310	C211-Y294 WeakPolarHBondContact CA-OH 3.26Å; F212-Y294 HydrophobicContact CB-CD1 3.79Å; F212-Y294 HydrophobicContact CB-CD2 4.02Å; F212-Y294 HydrophobicContact CB-CE1 3.97Å; F212-Y294 HydrophobicContact CB-CE2 4.22Å; F212-Y294 HydrophobicContact CB-CG 3.81Å; F212-Y294 HydrophobicContact CD2-CG 4.17Å; F212-Y294 HydrophobicContact CG-CG 4.49Å; S247-Y294 PolarHBondContact O-OH 2.83Å; S247-Y294 WeakPolarHBondContact OG-CE1 3.48Å; S247-Y294 PolarHBondContact OG-OH 2.89Å; I290-Y294 HydrophobicContact CD1-CE2 3.91Å; I290-Y294 HydrophobicContact CG1-CE2 3.99Å; I290-Y294 WeakPolarHBondContact O-CD2 3.41Å; N291-Y294 PolarHBondContact O-N 2.75Å; Y294-L296 HydrophobicContact CD1-CD2 3.98Å; Y294-F310 CarbonylContact C-O 3.56Å; Y294-F310 WeakPolarHBondContact CA-O 3.4Å; Y294-F310 HydrophobicContact CD1-CB 3.72Å; Y294-F310 HydrophobicContact CD1-CD2 4.17Å; Y294-F310 HydrophobicContact CD1-CG 4.25Å; Y294-F310 AromaticContact CD2-CD2 3.89Å; Y294-F310 HydrophobicContact CD2-CD2 3.89Å; Y294-F310 HydrophobicContact CE1-CB 3.89Å; Y294-F310 AromaticContact CE1-CD2 3.8Å; Y294-F310 HydrophobicContact CE1-CD2 3.8Å; Y294-F310 AromaticContact CE1-CG 3.97Å; Y294-F310 HydrophobicContact CE1-CG 3.97Å; Y294-F310 AromaticContact CE2-CD2 3.45Å; Y294-F310 HydrophobicContact CE2-CD2 3.45Å; Y294-F310 VanDerWaalsContact CE2-CD2 3.45Å; Y294-F310 AromaticContact CE2-CE2 3.9Å; Y294-F310 HydrophobicContact CE2-CE2 3.9Å; Y294-F310 HydrophobicContact CE2-CG 4.4Å; Y294-F310 HydrophobicContact CG-CB 4.12Å; Y294-F310 HydrophobicContact CG-CD2 4.22Å; Y294-F310 AromaticContact CZ-CD2 3.4Å; Y294-F310 AromaticContact CZ-CE2 3.84Å
295	E	91.1	Very high	78	Confident	48 Å²	48	65.9 Å²	65.9	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	103.4	167.7	176.5	49.7	-115.6	0	0	108.6	N297 G298 I308 F310 V311 H312	E295-N297 PolarHBondContact OE1-N 3.15Å; E295-G298 PolarHBondContact OE1-N 3.08Å; E295-I308 HydrophobicContact CB-CG2 3.86Å; E295-F310 PolarHBondContact N-O 2.93Å; E295-V311 HydrophobicContact CB-CB 4.43Å; E295-V311 HydrophobicContact CB-CG1 4.14Å; E295-V311 HydrophobicContact CB-CG2 4.01Å; E295-V311 HydrophobicContact CG-CG1 4.06Å; E295-V311 WeakPolarHBondContact O-CA 3.35Å; E295-H312 PolarHBondContact O-N 2.81Å
296	L	87.7	Confident	76	Confident	29 Å²	29	69.7 Å²	69.7	15%	0.152	36%	0.363	C	S	.	.			trans	-97.3	-13.9	-172.9	-63.2	-176.2	0	0	0	113.8	F212 S246 Y294	F212-L296 HydrophobicContact CD1-CD1 4Å; F212-L296 HydrophobicContact CD2-CD1 3.88Å; F212-L296 HydrophobicContact CD2-CG 4.43Å; F212-L296 HydrophobicContact CE1-CD1 4.14Å; F212-L296 HydrophobicContact CE2-CD1 4Å; F212-L296 HydrophobicContact CG-CD1 3.88Å; F212-L296 HydrophobicContact CZ-CD1 4.13Å; S246-L296 VanDerWaalsContact OG-CD2 3.27Å; S246-L296 WeakPolarHBondContact OG-CD2 3.44Å; Y294-L296 HydrophobicContact CD1-CD2 3.98Å
297	N	79.1	Confident	74.8	Confident	139 Å²	139	69.6 Å²	69.6	74%	0.743	37%	0.369	S	S	*	.	S	Bend	trans	-94.8	-6.6	-175.1	-65.6	-22	0	0	0	112.5	E295 E299	E295-N297 PolarHBondContact OE1-N 3.15Å; N297-E299 PolarHBondContact O-N 3.37Å
298	G	63.9	Low	74.3	Confident	27 Å²	27	70.2 Å²	70.2	28%	0.278	37%	0.373	S	S	.	.			trans	66.7	4.7	172.2	0	0	0	0	0	114.9	E295 G300 H312	E295-G298 PolarHBondContact OE1-N 3.08Å; G298-G300 PolarHBondContact O-N 3.18Å; G298-G300 VanDerWaalsContact O-N 3.16Å; G298-H312 WeakPolarHBondContact CA-O 3.36Å
299	E	54.3	Low	74.2	Confident	129 Å²	129	68.1 Å²	68.1	60%	0.603	36%	0.362	S	S	*	.			trans	-70.9	-7.9	-177.8	-71	-158.2	172.3	0	0	113.3	N297 K301	N297-E299 PolarHBondContact O-N 3.37Å; E299-K301 HydrophobicContact CB-CD 4.42Å; E299-K301 HydrophobicContact CB-CG 4.41Å; E299-K301 PolarHBondContact O-N 3.41Å; E299-K301 WeakPolarHBondContact OE2-CE 3.46Å; E299-K301 IonicContact OE2-NZ 2.75Å; E299-K301 PolarHBondContact OE2-NZ 3.24Å
300	G	50.5	Low	74.1	Confident	28 Å²	28	61.1 Å²	61.1	29%	0.289	33%	0.332	S	S	.	.			trans	59.1	14.7	170.3	0	0	0	0	0	114.8	G298 V302 F303	G298-G300 PolarHBondContact O-N 3.18Å; G298-G300 VanDerWaalsContact O-N 3.16Å; G300-V302 PolarHBondContact O-N 3.15Å; G300-V302 VanDerWaalsContact O-N 3.1Å; G300-F303 WeakPolarHBondContact O-CD2 3.18Å
301	K	49.6	Very low	74	Confident	152 Å²	152	60.3 Å²	60.3	66%	0.661	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	101.8	177.8	-73.1	174.9	-178.5	159.2	0	106.8	E299	E299-K301 HydrophobicContact CB-CD 4.42Å; E299-K301 HydrophobicContact CB-CG 4.41Å; E299-K301 PolarHBondContact O-N 3.41Å; E299-K301 WeakPolarHBondContact OE2-CE 3.46Å; E299-K301 IonicContact OE2-NZ 2.75Å; E299-K301 PolarHBondContact OE2-NZ 3.24Å
302	V	49.5	Very low	73.8	Confident	81 Å²	81	61.5 Å²	61.5	49%	0.491	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	74.5	173.5	-159.4	0	0	0	0	114.8	G300 I306	G300-V302 PolarHBondContact O-N 3.15Å; G300-V302 VanDerWaalsContact O-N 3.1Å; V302-I306 HydrophobicContact CB-CD1 4.04Å; V302-I306 HydrophobicContact CG1-CD1 3.91Å; V302-I306 HydrophobicContact CG1-CG1 4.13Å
303	F	52.9	Low	73.6	Confident	43 Å²	43	58.2 Å²	58.2	19%	0.189	31%	0.308	C	S	.	.			trans	-77.2	-19.3	167.4	-80	-81	0	0	0	114.4	G300 V311 L323	G300-F303 WeakPolarHBondContact O-CD2 3.18Å; F303-V311 HydrophobicContact CD1-CG2 4.45Å; F303-V311 HydrophobicContact CE1-CB 4.26Å; F303-V311 HydrophobicContact CE1-CG1 4.01Å; F303-V311 HydrophobicContact CE1-CG2 3.61Å; F303-V311 HydrophobicContact CZ-CG1 3.94Å; F303-V311 HydrophobicContact CZ-CG2 4.38Å; F303-L323 HydrophobicContact CD1-CD1 3.36Å; F303-L323 HydrophobicContact CD1-CD2 4.29Å; F303-L323 HydrophobicContact CD1-CG 4.45Å; F303-L323 HydrophobicContact CD2-CD1 4.18Å; F303-L323 HydrophobicContact CE1-CD1 3.22Å; F303-L323 HydrophobicContact CE1-CD2 3.34Å; F303-L323 HydrophobicContact CE1-CG 3.91Å; F303-L323 HydrophobicContact CE2-CD1 4.06Å; F303-L323 HydrophobicContact CG-CD1 3.84Å; F303-L323 HydrophobicContact CZ-CD1 3.62Å; F303-L323 HydrophobicContact CZ-CD2 3.58Å; F303-L323 HydrophobicContact CZ-CG 4.21Å
304	F	51	Low	73.1	Confident	101 Å²	101	61 Å²	61	44%	0.443	33%	0.327	S	S	.	.	S	Bend	trans	-96.2	-26.9	-152.6	-59.1	-73.2	0	0	0	114.7	K326 L330	F304-K326 HydrophobicContact CE1-CB 4.28Å; F304-K326 HydrophobicContact CE1-CD 4.02Å; F304-K326 HydrophobicContact CE1-CG 4.32Å; F304-K326 HydrophobicContact CZ-CD 3.77Å; F304-L330 HydrophobicContact CD1-CD1 4.03Å; F304-L330 HydrophobicContact CD1-CD2 4.27Å; F304-L330 HydrophobicContact CD1-CG 4.43Å
305	D	54.8	Low	72.5	Confident	151 Å²	151	62.6 Å²	62.6	81%	0.807	35%	0.347	S	S	*	.	S	Bend	trans	-113.8	0.3	-178.6	-58.6	-44.6	0	0	0	113.9
306	I	57	Low	72.2	Confident	80 Å²	80	63.1 Å²	63.1	41%	0.41	36%	0.356	S	S	.	.	S	Bend	trans	-112.4	139.2	-172.1	-53.7	178.9	0	0	0	109	V302 I308	V302-I306 HydrophobicContact CB-CD1 4.04Å; V302-I306 HydrophobicContact CG1-CD1 3.91Å; V302-I306 HydrophobicContact CG1-CG1 4.13Å; I306-I308 HydrophobicContact CB-CD1 4.48Å; I306-I308 HydrophobicContact CB-CG1 3.97Å; I306-I308 HydrophobicContact CG2-CD1 3.6Å; I306-I308 HydrophobicContact CG2-CG1 3.62Å; I306-I308 PolarHBondContact O-N 3.48Å
307	P	72	Confident	72.4	Confident	75 Å²	75	64.3 Å²	64.3	49%	0.487	36%	0.362	S	S	.	.			trans	-71.1	45.8	176.9	33	-39.3	0	0	0	112.7	I293 V309	I293-P307 WeakPolarHBondContact CA-O 3.29Å; I293-P307 WeakPolarHBondContact CB-O 3.41Å; I293-P307 HydrophobicContact CG2-CB 4.5Å; I293-P307 WeakPolarHBondContact CG2-O 3.07Å; P307-V309 PolarHBondContact O-N 3.02Å
308	I	87.3	Confident	73.1	Confident	24 Å²	24	64 Å²	64	12%	0.123	36%	0.36	C	S	.	.			trans	-70.3	125.2	175.8	-57.8	-57.9	0	0	0	109	E295 I306 V311	E295-I308 HydrophobicContact CB-CG2 3.86Å; I306-I308 HydrophobicContact CB-CD1 4.48Å; I306-I308 HydrophobicContact CB-CG1 3.97Å; I306-I308 HydrophobicContact CG2-CD1 3.6Å; I306-I308 HydrophobicContact CG2-CG1 3.62Å; I306-I308 PolarHBondContact O-N 3.48Å; I308-V311 HydrophobicContact CG2-CG2 3.39Å
309	V	92.4	Very high	74.3	Confident	8 Å²	8	69.7 Å²	69.7	5%	0.048	38%	0.378	C	S	.	.			trans	-109.7	-37.6	-179.6	172.6	0	0	0	0	111.5	V187 N188 I192 I293 P307	V187-V309 CarbonylContact C-O 3.54Å; V187-V309 WeakPolarHBondContact CA-O 3.15Å; N188-V309 PolarHBondContact N-O 2.78Å; I192-V309 HydrophobicContact CB-CG1 3.65Å; I192-V309 HydrophobicContact CD1-CG1 4.27Å; I192-V309 HydrophobicContact CG1-CG1 4.38Å; I293-V309 HydrophobicContact CB-CB 4.07Å; I293-V309 HydrophobicContact CB-CG2 4.04Å; I293-V309 HydrophobicContact CD1-CB 3.88Å; I293-V309 HydrophobicContact CD1-CG1 4.39Å; I293-V309 HydrophobicContact CD1-CG2 3.9Å; I293-V309 HydrophobicContact CG1-CB 4.12Å; I293-V309 HydrophobicContact CG1-CG2 4.38Å; I293-V309 PolarHBondContact O-N 2.8Å; P307-V309 PolarHBondContact O-N 3.02Å
310	F	94.4	Very high	76.1	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	-177.3	-59.4	-72.9	0	0	0	110.5	L179 V185 H186 V187 I192 S247 I293 Y294 E295	L179-F310 HydrophobicContact CD1-CE1 3.83Å; L179-F310 HydrophobicContact CD1-CZ 3.74Å; V185-F310 HydrophobicContact CG1-CB 4.34Å; V185-F310 HydrophobicContact CG1-CD1 4.33Å; H186-F310 WeakPolarHBondContact O-CA 3.37Å; V187-F310 HydrophobicContact CG1-CD1 4.33Å; V187-F310 HydrophobicContact CG1-CE1 3.95Å; V187-F310 HydrophobicContact CG2-CD1 4.11Å; V187-F310 HydrophobicContact CG2-CE1 4.17Å; I192-F310 HydrophobicContact CD1-CE2 4Å; I192-F310 HydrophobicContact CD1-CZ 3.64Å; I192-F310 HydrophobicContact CG1-CZ 4.01Å; S247-F310 WeakPolarHBondContact OG-CD1 3.45Å; S247-F310 WeakPolarHBondContact OG-CG 3.33Å; I293-F310 HydrophobicContact CD1-CE2 4.22Å; I293-F310 HydrophobicContact CG1-CD2 4.34Å; I293-F310 PolarHBondContact O-N 3.25Å; Y294-F310 CarbonylContact C-O 3.56Å; Y294-F310 WeakPolarHBondContact CA-O 3.4Å; Y294-F310 HydrophobicContact CD1-CB 3.72Å; Y294-F310 HydrophobicContact CD1-CD2 4.17Å; Y294-F310 HydrophobicContact CD1-CG 4.25Å; Y294-F310 AromaticContact CD2-CD2 3.89Å; Y294-F310 HydrophobicContact CD2-CD2 3.89Å; Y294-F310 HydrophobicContact CE1-CB 3.89Å; Y294-F310 AromaticContact CE1-CD2 3.8Å; Y294-F310 HydrophobicContact CE1-CD2 3.8Å; Y294-F310 AromaticContact CE1-CG 3.97Å; Y294-F310 HydrophobicContact CE1-CG 3.97Å; Y294-F310 AromaticContact CE2-CD2 3.45Å; Y294-F310 HydrophobicContact CE2-CD2 3.45Å; Y294-F310 VanDerWaalsContact CE2-CD2 3.45Å; Y294-F310 AromaticContact CE2-CE2 3.9Å; Y294-F310 HydrophobicContact CE2-CE2 3.9Å; Y294-F310 HydrophobicContact CE2-CG 4.4Å; Y294-F310 HydrophobicContact CG-CB 4.12Å; Y294-F310 HydrophobicContact CG-CD2 4.22Å; Y294-F310 AromaticContact CZ-CD2 3.4Å; Y294-F310 AromaticContact CZ-CE2 3.84Å; E295-F310 PolarHBondContact N-O 2.93Å
311	V	92.5	Very high	78.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.6	177.8	-172.8	0	0	0	0	110.1	V185 H186 E295 F303 I308 L313 L323	V185-V311 WeakPolarHBondContact CA-O 3.34Å; H186-V311 HydrophobicContact CB-CB 4.33Å; H186-V311 PolarHBondContact N-O 3.07Å; H186-V311 PolarHBondContact O-N 3.19Å; E295-V311 HydrophobicContact CB-CB 4.43Å; E295-V311 HydrophobicContact CB-CG1 4.14Å; E295-V311 HydrophobicContact CB-CG2 4.01Å; E295-V311 HydrophobicContact CG-CG1 4.06Å; E295-V311 WeakPolarHBondContact O-CA 3.35Å; F303-V311 HydrophobicContact CD1-CG2 4.45Å; F303-V311 HydrophobicContact CE1-CB 4.26Å; F303-V311 HydrophobicContact CE1-CG1 4.01Å; F303-V311 HydrophobicContact CE1-CG2 3.61Å; F303-V311 HydrophobicContact CZ-CG1 3.94Å; F303-V311 HydrophobicContact CZ-CG2 4.38Å; I308-V311 HydrophobicContact CG2-CG2 3.39Å; V311-L313 HydrophobicContact CB-CG 4.43Å; V311-L313 HydrophobicContact CG1-CD1 4.34Å; V311-L313 HydrophobicContact CG1-CD2 3.93Å; V311-L313 HydrophobicContact CG1-CG 3.8Å; V311-L313 PolarHBondContact O-N 3.49Å; V311-L323 HydrophobicContact CB-CD2 4.39Å
312	H	91.4	Very high	80.1	Confident	52 Å²	52	63.4 Å²	63.4	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.4	172.7	-173.2	-133.5	0	0	0	109.6	D184 E295 G298	D184-H312 VanDerWaalsContact CG-NE2 3.31Å; D184-H312 IonicContact OD1-CD2 2.82Å; D184-H312 PolarHBondContact OD1-CD2 3.37Å; D184-H312 IonicContact OD1-NE2 3.85Å; D184-H312 PolarHBondContact OD1-NE2 2.69Å; D184-H312 IonicContact OD2-CD2 2.67Å; D184-H312 IonicContact OD2-CE1 3.46Å; D184-H312 IonicContact OD2-NE2 3.15Å; D184-H312 PolarHBondContact OD2-NE2 2.95Å; E295-H312 PolarHBondContact O-N 2.81Å; G298-H312 WeakPolarHBondContact CA-O 3.36Å
313	L	88.5	Confident	82	Confident	21 Å²	21	60 Å²	60	11%	0.11	33%	0.326	C	S	.	.			trans	-131.9	74.5	-176.6	-71.9	-179.5	0	0	0	110.4	D184 H186 V311 G315 R320 L323	D184-L313 CarbonylContact O-C 3.53Å; D184-L313 WeakPolarHBondContact O-CA 3.34Å; D184-L313 PolarHBondContact O-N 3.15Å; H186-L313 HydrophobicContact CB-CD1 4.02Å; V311-L313 HydrophobicContact CB-CG 4.43Å; V311-L313 HydrophobicContact CG1-CD1 4.34Å; V311-L313 HydrophobicContact CG1-CD2 3.93Å; V311-L313 HydrophobicContact CG1-CG 3.8Å; V311-L313 PolarHBondContact O-N 3.49Å; L313-G315 PolarHBondContact O-N 2.69Å; L313-R320 HydrophobicContact CB-CG 4.05Å; L313-R320 HydrophobicContact CD1-CG 4.14Å; L313-R320 VanDerWaalsContact O-CZ 3.24Å; L313-R320 PolarHBondContact O-NE 3.41Å; L313-R320 PolarHBondContact O-NH2 2.96Å; L313-L323 HydrophobicContact CD1-CB 4.49Å; L313-L323 HydrophobicContact CD1-CD2 3.49Å; L313-L323 VanDerWaalsContact CD1-CD2 3.49Å
314	P	82.5	Confident	84	Confident	79 Å²	79	58.5 Å²	58.5	51%	0.513	32%	0.319	S	S	.	.			trans	-64.9	-15.1	-179.2	27.3	-34.8	0	0	0	113.2
315	G	79.3	Confident	85.9	Confident	45 Å²	45	58.1 Å²	58.1	46%	0.464	32%	0.317	S	S	.	.	S	Bend	trans	-72.9	-154.3	-179	0	0	0	0	0	116	L313	L313-G315 PolarHBondContact O-N 2.69Å
316	S	86.4	Confident	87.6	Confident	59 Å²	59	55.2 Å²	55.2	41%	0.413	30%	0.297	S	S	.	.			trans	-69.2	148.6	-168.4	74.4	0	0	0	0	114.5	N318 K319 R320	S316-N318 PolarHBondContact O-N 3.1Å; S316-K319 PolarHBondContact O-N 2.7Å; S316-K319 VanDerWaalsContact O-N 3.1Å; S316-K319 PolarHBondContact OG-N 3.05Å; S316-R320 PolarHBondContact O-N 3.15Å
317	L	92.2	Very high	89.2	Confident	54 Å²	54	51.9 Å²	51.9	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-33.6	173.5	-64.7	176	0	0	0	112.4	K96 R97 L100 R320 Y321	K96-L317 HydrophobicContact CB-CD1 3.63Å; K96-L317 HydrophobicContact CD-CD1 4.39Å; R97-L317 HydrophobicContact CG-CD2 3.89Å; L100-L317 HydrophobicContact CD2-CB 4.11Å; L100-L317 HydrophobicContact CD2-CD2 3.73Å; L317-R320 PolarHBondContact O-N 2.79Å; L317-Y321 PolarHBondContact O-N 2.83Å
318	N	92.7	Very high	90.1	Very high	131 Å²	131	50.2 Å²	50.2	70%	0.701	27%	0.268	S	S	*	.	H	α-helix	trans	-63.4	-41.9	177.6	-67.9	-6.2	0	0	0	111.8	S316 R320 Y321 A322	S316-N318 PolarHBondContact O-N 3.1Å; N318-R320 VanDerWaalsContact C-N 3.32Å; N318-R320 PolarHBondContact O-N 3.42Å; N318-Y321 PolarHBondContact O-N 3Å; N318-A322 WeakPolarHBondContact O-CB 3.39Å; N318-A322 PolarHBondContact O-N 3.15Å
319	K	89.8	Confident	90.2	Very high	147 Å²	147	54.4 Å²	54.4	64%	0.639	29%	0.287	S	S	*	.	H	α-helix	trans	-63	-40.9	176	-74.3	-176	177	-173.9	0	111.3	S316 A322 L323	S316-K319 PolarHBondContact O-N 2.7Å; S316-K319 VanDerWaalsContact O-N 3.1Å; S316-K319 PolarHBondContact OG-N 3.05Å; K319-A322 PolarHBondContact O-N 3.26Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 PolarHBondContact O-N 3.34Å
320	R	91.5	Very high	89.8	Confident	15 Å²	15	56.5 Å²	56.5	6%	0.057	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-44.6	176.7	-61.7	-179.6	-168.7	-177.2	0.9	111.9	L100 D183 D184 L313 S316 L317 N318 L323 W324	L100-R320 HydrophobicContact CD2-CB 3.77Å; D183-R320 PolarHBondContact O-NH1 2.82Å; D184-R320 VanDerWaalsContact CA-CZ 3.49Å; D184-R320 VanDerWaalsContact CA-NH2 3.27Å; L313-R320 HydrophobicContact CB-CG 4.05Å; L313-R320 HydrophobicContact CD1-CG 4.14Å; L313-R320 VanDerWaalsContact O-CZ 3.24Å; L313-R320 PolarHBondContact O-NE 3.41Å; L313-R320 PolarHBondContact O-NH2 2.96Å; S316-R320 PolarHBondContact O-N 3.15Å; L317-R320 PolarHBondContact O-N 2.79Å; N318-R320 VanDerWaalsContact C-N 3.32Å; N318-R320 PolarHBondContact O-N 3.42Å; R320-L323 PolarHBondContact O-N 2.95Å; R320-W324 PolarHBondContact O-N 3.15Å
321	Y	93.6	Very high	89.4	Confident	113 Å²	113	56.5 Å²	56.5	44%	0.443	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-43.1	176.3	-173.2	-105.9	0	0	0	112.1	L100 T104 L317 N318 L323 W324 K325	L100-Y321 HydrophobicContact CD1-CD2 3.77Å; L100-Y321 HydrophobicContact CD1-CG 4.32Å; T104-Y321 HydrophobicContact CG2-CD2 3.89Å; T104-Y321 HydrophobicContact CG2-CE2 4.37Å; L317-Y321 PolarHBondContact O-N 2.83Å; N318-Y321 PolarHBondContact O-N 3Å; Y321-L323 VanDerWaalsContact C-N 3.31Å; Y321-L323 PolarHBondContact O-N 3.08Å; Y321-W324 WeakPolarHBondContact O-CB 3.4Å; Y321-W324 PolarHBondContact O-N 3.29Å; Y321-W324 VanDerWaalsContact O-N 3.15Å; Y321-K325 HydrophobicContact CD1-CG 4.26Å; Y321-K325 HydrophobicContact CE1-CD 4.18Å; Y321-K325 HydrophobicContact CE1-CG 3.89Å; Y321-K325 WeakPolarHBondContact O-CG 3.35Å; Y321-K325 PolarHBondContact O-N 3.3Å
322	A	91.1	Very high	89.1	Confident	49 Å²	49	64.2 Å²	64.2	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-40.2	175.9	0	0	0	0	0	111.9	N318 K319 K325 K326	N318-A322 WeakPolarHBondContact O-CB 3.39Å; N318-A322 PolarHBondContact O-N 3.15Å; K319-A322 PolarHBondContact O-N 3.26Å; A322-K325 PolarHBondContact O-N 3.1Å; A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 2.72Å; A322-K326 VanDerWaalsContact O-N 3.12Å
323	L	89.8	Confident	88.7	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-38.9	174.3	178.4	58.8	0	0	0	112.2	H186 F303 V311 L313 K319 R320 Y321 K326 T327	H186-L323 HydrophobicContact CB-CD2 3.81Å; H186-L323 VanDerWaalsContact CD2-CD2 3.43Å; H186-L323 WeakPolarHBondContact CD2-CD2 3.32Å; H186-L323 VanDerWaalsContact CG-CD2 3.41Å; F303-L323 HydrophobicContact CD1-CD1 3.36Å; F303-L323 HydrophobicContact CD1-CD2 4.29Å; F303-L323 HydrophobicContact CD1-CG 4.45Å; F303-L323 HydrophobicContact CD2-CD1 4.18Å; F303-L323 HydrophobicContact CE1-CD1 3.22Å; F303-L323 HydrophobicContact CE1-CD2 3.34Å; F303-L323 HydrophobicContact CE1-CG 3.91Å; F303-L323 HydrophobicContact CE2-CD1 4.06Å; F303-L323 HydrophobicContact CG-CD1 3.84Å; F303-L323 HydrophobicContact CZ-CD1 3.62Å; F303-L323 HydrophobicContact CZ-CD2 3.58Å; F303-L323 HydrophobicContact CZ-CG 4.21Å; V311-L323 HydrophobicContact CB-CD2 4.39Å; L313-L323 HydrophobicContact CD1-CB 4.49Å; L313-L323 HydrophobicContact CD1-CD2 3.49Å; L313-L323 VanDerWaalsContact CD1-CD2 3.49Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 PolarHBondContact O-N 3.34Å; R320-L323 PolarHBondContact O-N 2.95Å; Y321-L323 VanDerWaalsContact C-N 3.31Å; Y321-L323 PolarHBondContact O-N 3.08Å; L323-K326 PolarHBondContact O-N 3.28Å; L323-T327 PolarHBondContact O-N 3.18Å; L323-T327 PolarHBondContact O-OG1 2.96Å
324	W	93	Very high	88.3	Confident	11 Å²	11	71.9 Å²	71.9	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-42.8	173.6	178.9	-110.8	0	0	0	112.6	T104 W105 F110 H186 F190 R320 Y321 K326 T327 L328	T104-W324 VanDerWaalsContact C-CE2 3.48Å; T104-W324 VanDerWaalsContact CB-CG 3.47Å; T104-W324 HydrophobicContact CG2-CB 3.84Å; T104-W324 VanDerWaalsContact CG2-CD1 3.47Å; T104-W324 HydrophobicContact CG2-CD2 4.38Å; T104-W324 HydrophobicContact CG2-CG 3.6Å; T104-W324 VanDerWaalsContact O-CZ2 3.31Å; T104-W324 WeakPolarHBondContact O-CZ2 3.45Å; W105-W324 HydrophobicContact CB-CE3 3.93Å; W105-W324 HydrophobicContact CB-CH2 4.23Å; W105-W324 HydrophobicContact CB-CZ3 3.65Å; F110-W324 AromaticContact CE2-CH2 3.58Å; F110-W324 HydrophobicContact CE2-CH2 3.58Å; F110-W324 AromaticContact CE2-CZ2 3.68Å; F110-W324 HydrophobicContact CE2-CZ2 3.68Å; F110-W324 AromaticContact CZ-CH2 3.48Å; F110-W324 HydrophobicContact CZ-CH2 3.48Å; F110-W324 VanDerWaalsContact CZ-CH2 3.48Å; F110-W324 AromaticContact CZ-CZ2 3.55Å; F110-W324 HydrophobicContact CZ-CZ2 3.55Å; H186-W324 AromaticContact CE1-CE3 3.85Å; F190-W324 HydrophobicContact CE2-CH2 4.07Å; F190-W324 HydrophobicContact CZ-CH2 4.47Å; R320-W324 PolarHBondContact O-N 3.15Å; Y321-W324 WeakPolarHBondContact O-CB 3.4Å; Y321-W324 PolarHBondContact O-N 3.29Å; Y321-W324 VanDerWaalsContact O-N 3.15Å; W324-K326 VanDerWaalsContact C-N 3.32Å; W324-K326 PolarHBondContact O-N 2.79Å; W324-T327 HydrophobicContact CE3-CG2 4.18Å; W324-T327 HydrophobicContact CZ3-CG2 3.98Å; W324-T327 WeakPolarHBondContact O-CA 3.11Å; W324-T327 WeakPolarHBondContact O-CB 3.33Å; W324-T327 PolarHBondContact O-N 2.99Å; W324-T327 VanDerWaalsContact O-N 3.08Å; W324-L328 HydrophobicContact CD2-CG 4.47Å; W324-L328 HydrophobicContact CH2-CD2 4.3Å; W324-L328 HydrophobicContact CZ2-CD2 3.68Å; W324-L328 HydrophobicContact CZ2-CG 4.1Å; W324-L328 PolarHBondContact O-N 2.8Å
325	K	92.8	Very high	88.2	Confident	93 Å²	93	71.9 Å²	71.9	40%	0.404	37%	0.371	S	S	.	.	H	α-helix	trans	-57.2	-45.4	174.8	-72.5	-67.7	-57.7	-171.5	0	111.9	Y321 A322 T327 L328 E329	Y321-K325 HydrophobicContact CD1-CG 4.26Å; Y321-K325 HydrophobicContact CE1-CD 4.18Å; Y321-K325 HydrophobicContact CE1-CG 3.89Å; Y321-K325 WeakPolarHBondContact O-CG 3.35Å; Y321-K325 PolarHBondContact O-N 3.3Å; A322-K325 PolarHBondContact O-N 3.1Å; K325-T327 VanDerWaalsContact C-N 3.33Å; K325-T327 PolarHBondContact O-N 2.88Å; K325-L328 WeakPolarHBondContact O-CB 3.45Å; K325-L328 PolarHBondContact O-N 3.18Å; K325-E329 PolarHBondContact O-N 3.48Å
326	K	89.2	Confident	88.4	Confident	89 Å²	89	71.5 Å²	71.5	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-39.5	173.8	-71.3	173.8	168.7	-172.1	0	112.6	F304 A322 L323 W324 L328 E329 L330	F304-K326 HydrophobicContact CE1-CB 4.28Å; F304-K326 HydrophobicContact CE1-CD 4.02Å; F304-K326 HydrophobicContact CE1-CG 4.32Å; F304-K326 HydrophobicContact CZ-CD 3.77Å; A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 2.72Å; A322-K326 VanDerWaalsContact O-N 3.12Å; L323-K326 PolarHBondContact O-N 3.28Å; W324-K326 VanDerWaalsContact C-N 3.32Å; W324-K326 PolarHBondContact O-N 2.79Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 2.83Å; K326-E329 PolarHBondContact O-N 3.43Å; K326-L330 WeakPolarHBondContact O-CG 3.43Å; K326-L330 PolarHBondContact O-N 2.92Å
327	T	90.5	Very high	87.6	Confident	10 Å²	10	72.5 Å²	72.5	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-39.5	175.2	-55.9	0	0	0	0	111.3	H186 N188 F190 L323 W324 K325 C331	H186-T327 PolarHBondContact CE1-OG1 3.2Å; H186-T327 PolarHBondContact NE2-OG1 3.32Å; H186-T327 VanDerWaalsContact NE2-OG1 3.16Å; N188-T327 HydrophobicContact CB-CG2 4.26Å; F190-T327 HydrophobicContact CD2-CG2 4.09Å; F190-T327 HydrophobicContact CE2-CG2 4.28Å; L323-T327 PolarHBondContact O-N 3.18Å; L323-T327 PolarHBondContact O-OG1 2.96Å; W324-T327 HydrophobicContact CE3-CG2 4.18Å; W324-T327 HydrophobicContact CZ3-CG2 3.98Å; W324-T327 WeakPolarHBondContact O-CA 3.11Å; W324-T327 WeakPolarHBondContact O-CB 3.33Å; W324-T327 PolarHBondContact O-N 2.99Å; W324-T327 VanDerWaalsContact O-N 3.08Å; K325-T327 VanDerWaalsContact C-N 3.33Å; K325-T327 PolarHBondContact O-N 2.88Å; T327-C331 VanDerWaalsContact O-CB 3.28Å; T327-C331 WeakPolarHBondContact O-CB 3.38Å; T327-C331 PolarHBondContact O-N 3.49Å
328	L	91.4	Very high	86.4	Confident	41 Å²	41	78 Å²	78	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-68.6	-38.3	175.2	-68.7	175.8	0	0	0	112.7	F190 W324 K325 K326 C331 K332	F190-L328 HydrophobicContact CE2-CD2 4.06Å; F190-L328 HydrophobicContact CZ-CD2 4Å; W324-L328 HydrophobicContact CD2-CG 4.47Å; W324-L328 HydrophobicContact CH2-CD2 4.3Å; W324-L328 HydrophobicContact CZ2-CD2 3.68Å; W324-L328 HydrophobicContact CZ2-CG 4.1Å; W324-L328 PolarHBondContact O-N 2.8Å; K325-L328 WeakPolarHBondContact O-CB 3.45Å; K325-L328 PolarHBondContact O-N 3.18Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 2.83Å; L328-C331 WeakPolarHBondContact O-CB 3.48Å; L328-C331 PolarHBondContact O-N 3.07Å; L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 2.87Å; L328-K332 VanDerWaalsContact O-N 3.1Å
329	E	89.1	Confident	86.1	Confident	112 Å²	112	75.3 Å²	75.3	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-47.5	175.9	-73.2	164	-171.8	0	0	111.3	K325 K326 C331 K332 T333	K325-E329 PolarHBondContact O-N 3.48Å; K326-E329 PolarHBondContact O-N 3.43Å; E329-C331 VanDerWaalsContact C-N 3.3Å; E329-C331 PolarHBondContact O-N 3.08Å; E329-K332 WeakPolarHBondContact O-CB 3.46Å; E329-K332 PolarHBondContact O-N 2.87Å; E329-T333 PolarHBondContact O-N 2.04Å
330	L	84.4	Confident	85.9	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-38.4	174.1	-70.7	171.2	0	0	0	112.4	F304 K326 K332 T333 M334	F304-L330 HydrophobicContact CD1-CD1 4.03Å; F304-L330 HydrophobicContact CD1-CD2 4.27Å; F304-L330 HydrophobicContact CD1-CG 4.43Å; K326-L330 WeakPolarHBondContact O-CG 3.43Å; K326-L330 PolarHBondContact O-N 2.92Å; L330-K332 VanDerWaalsContact C-N 3.28Å; L330-K332 PolarHBondContact O-N 3.2Å; L330-T333 WeakPolarHBondContact CA-OG1 3.37Å; L330-T333 PolarHBondContact O-N 2.82Å; L330-T333 PolarHBondContact O-OG1 2.59Å; L330-M334 WeakPolarHBondContact O-CB 3.02Å; L330-M334 WeakPolarHBondContact O-CG 3.5Å; L330-M334 PolarHBondContact O-N 3.11Å
331	C	86.3	Confident	85.6	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-38.8	176.3	173.4	0	0	0	0	112.3	F190 T327 L328 E329 D335 C336 Y337	F190-C331 HydrophobicContact CD1-CB 4.49Å; F190-C331 VanDerWaalsContact CD1-SG 3.55Å; F190-C331 HydrophobicContact CD2-CB 3.67Å; F190-C331 HydrophobicContact CE1-CB 4.42Å; F190-C331 WeakPolarHBondContact CE1-SG 3.34Å; F190-C331 HydrophobicContact CE2-CB 3.56Å; F190-C331 HydrophobicContact CG-CB 4.16Å; F190-C331 HydrophobicContact CZ-CB 3.97Å; F190-C331 WeakPolarHBondContact CZ-SG 3.37Å; T327-C331 VanDerWaalsContact O-CB 3.28Å; T327-C331 WeakPolarHBondContact O-CB 3.38Å; T327-C331 PolarHBondContact O-N 3.49Å; L328-C331 WeakPolarHBondContact O-CB 3.48Å; L328-C331 PolarHBondContact O-N 3.07Å; E329-C331 VanDerWaalsContact C-N 3.3Å; E329-C331 PolarHBondContact O-N 3.08Å; C331-D335 WeakPolarHBondContact O-CA 3.02Å; C331-D335 PolarHBondContact O-N 3.47Å; C331-C336 HydrophobicContact CB-CB 4.32Å; C331-C336 PolarHBondContact O-N 3.24Å; C331-C336 VanDerWaalsContact SG-CB 3.55Å; C331-Y337 VanDerWaalsContact SG-CD2 3.57Å; C331-Y337 VanDerWaalsContact SG-CE2 3.5Å
332	K	85.9	Confident	85.1	Confident	163 Å²	163	72.4 Å²	72.4	71%	0.709	37%	0.369	S	S	*	.	H	α-helix	trans	-67.5	-40.1	176.7	-71	175.2	178.7	-172.5	0	112.3	L328 E329 L330	L328-K332 WeakPolarHBondContact O-CG 3.46Å; L328-K332 PolarHBondContact O-N 2.87Å; L328-K332 VanDerWaalsContact O-N 3.1Å; E329-K332 WeakPolarHBondContact O-CB 3.46Å; E329-K332 PolarHBondContact O-N 2.87Å; L330-K332 VanDerWaalsContact C-N 3.28Å; L330-K332 PolarHBondContact O-N 3.2Å
333	T	82.5	Confident	84.7	Confident	114 Å²	114	73.9 Å²	73.9	70%	0.699	37%	0.366	S	S	*	.	H	α-helix	trans	-71.5	-33.1	179.6	57.1	0	0	0	0	112.4	E329 L330	E329-T333 PolarHBondContact O-N 2.04Å; L330-T333 WeakPolarHBondContact CA-OG1 3.37Å; L330-T333 PolarHBondContact O-N 2.82Å; L330-T333 PolarHBondContact O-OG1 2.59Å
334	M	80.9	Confident	84.4	Confident	120 Å²	120	78.1 Å²	78.1	59%	0.591	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	1.4	179.6	-63.5	-174.3	73.1	0	0	114.2	L330 C336	L330-M334 WeakPolarHBondContact O-CB 3.02Å; L330-M334 WeakPolarHBondContact O-CG 3.5Å; L330-M334 PolarHBondContact O-N 3.11Å; M334-C336 VanDerWaalsContact C-N 3.29Å; M334-C336 PolarHBondContact O-N 3.12Å
335	D	80.9	Confident	83.8	Confident	80 Å²	80	82.9 Å²	82.9	43%	0.428	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	45.3	-173.3	-164.4	21.2	0	0	0	113.9	C331 Y337 N338	C331-D335 WeakPolarHBondContact O-CA 3.02Å; C331-D335 PolarHBondContact O-N 3.47Å; D335-Y337 PolarHBondContact O-N 3.38Å; D335-N338 VanDerWaalsContact CG-ND2 3.26Å; D335-N338 PolarHBondContact O-N 3.45Å; D335-N338 PolarHBondContact OD1-ND2 3.35Å; D335-N338 WeakPolarHBondContact OD2-CB 2.99Å; D335-N338 PolarHBondContact OD2-ND2 3.2Å
336	C	81.8	Confident	83.1	Confident	37 Å²	37	82.1 Å²	82.1	25%	0.25	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.2	-174.5	-52.3	0	0	0	0	114.4	F190 C331 M334	F190-C336 HydrophobicContact CB-CB 3.7Å; F190-C336 HydrophobicContact CD1-CB 3.93Å; F190-C336 HydrophobicContact CG-CB 3.9Å; C331-C336 HydrophobicContact CB-CB 4.32Å; C331-C336 PolarHBondContact O-N 3.24Å; C331-C336 VanDerWaalsContact SG-CB 3.55Å; M334-C336 VanDerWaalsContact C-N 3.29Å; M334-C336 PolarHBondContact O-N 3.12Å
337	Y	71.2	Confident	82.5	Confident	80 Å²	80	81.5 Å²	81.5	31%	0.314	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-24.6	178.7	-85.1	-50.1	0	0	0	111.8	F110 K113 F114 F190 C331 D335	F110-Y337 HydrophobicContact CE1-CE1 4.39Å; K113-Y337 HydrophobicContact CD-CD1 3.41Å; K113-Y337 VanDerWaalsContact CD-CD1 3.41Å; K113-Y337 HydrophobicContact CD-CE1 3.9Å; K113-Y337 HydrophobicContact CD-CG 4.48Å; K113-Y337 WeakPolarHBondContact CE-O 3.47Å; K113-Y337 VanDerWaalsContact NZ-C 3.33Å; K113-Y337 VanDerWaalsContact NZ-CA 3.29Å; K113-Y337 PolarHBondContact NZ-O 3.04Å; F114-Y337 HydrophobicContact CZ-CD1 4.41Å; F190-Y337 AromaticContact CE1-CD1 3.89Å; F190-Y337 HydrophobicContact CE1-CD1 3.89Å; F190-Y337 AromaticContact CE1-CE1 3.46Å; F190-Y337 HydrophobicContact CE1-CE1 3.46Å; F190-Y337 VanDerWaalsContact CE1-CE1 3.46Å; F190-Y337 HydrophobicContact CE1-CE2 4.24Å; F190-Y337 AromaticContact CE1-CZ 3.63Å; F190-Y337 HydrophobicContact CZ-CE1 4.04Å; F190-Y337 HydrophobicContact CZ-CE2 4.32Å; F190-Y337 AromaticContact CZ-CZ 3.74Å; C331-Y337 VanDerWaalsContact SG-CD2 3.57Å; C331-Y337 VanDerWaalsContact SG-CE2 3.5Å; D335-Y337 PolarHBondContact O-N 3.38Å
338	N	65.9	Low	81.8	Confident	168 Å²	168	88 Å²	88	90%	0.898	45%	0.446	S	S	*	.			trans	-103.9	0	173	-58.7	-35.8	0	0	0	109.8	D335	D335-N338 VanDerWaalsContact CG-ND2 3.26Å; D335-N338 PolarHBondContact O-N 3.45Å; D335-N338 PolarHBondContact OD1-ND2 3.35Å; D335-N338 WeakPolarHBondContact OD2-CB 2.99Å; D335-N338 PolarHBondContact OD2-ND2 3.2Å

Retrieved 338 of 338 residues in 2367 ms (Link to these results)

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