A0A5K4F168_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F168, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 305 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	32.9	Very low	35.2	Very low	247 Å²	247	142.4 Å²	142.4	100%	1.217	73%	0.726	S	S	*	*				0	89.1	0	-70.3	176.3	175.5	0	0	108.3
2	M	35.1	Very low	34.7	Very low	185 Å²	185	143.8 Å²	143.8	91%	0.911	74%	0.737	S	S	*	*			trans	-122.4	96.3	174.2	-77.8	-178.8	149.6	0	0	106.2	S4	M2-S4 PolarHBondContact O-N 2.77Å
3	S	39.7	Very low	34.3	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	75%	0.747	S	S	*	*			trans	-70.7	112.2	167.8	-175.4	0	0	0	0	106.9	G5	S3-G5 PolarHBondContact O-N 3.45Å
4	S	42.1	Very low	34	Very low	89 Å²	89	143.4 Å²	143.4	62%	0.622	75%	0.749	S	S	*	*			trans	-70.1	59.7	176.2	-45.5	0	0	0	0	110.2	M2 V6	M2-S4 PolarHBondContact O-N 2.77Å; S4-V6 PolarHBondContact O-N 2.79Å
5	G	36.4	Very low	33.7	Very low	55 Å²	55	144.9 Å²	144.9	57%	0.567	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75.5	120.7	-176.7	0	0	0	0	0	111.6	S3 R7	S3-G5 PolarHBondContact O-N 3.45Å; G5-R7 PolarHBondContact O-N 2.88Å
6	V	39.4	Very low	33.3	Very low	42 Å²	42	143.4 Å²	143.4	26%	0.255	76%	0.762	S	S	.	*	P	Polyproline II helix	trans	-59.9	128	164.1	171.3	0	0	0	0	109	S4 Y8 F288	S4-V6 PolarHBondContact O-N 2.79Å; V6-Y8 HydrophobicContact CG1-CE1 4.35Å; V6-Y8 HydrophobicContact CG1-CE2 4.34Å; V6-F288 HydrophobicContact CG1-CB 3.42Å; V6-F288 VanDerWaalsContact CG1-CB 3.42Å; V6-F288 HydrophobicContact CG1-CG 4.47Å
7	R	34.6	Very low	33	Very low	210 Å²	210	141.8 Å²	141.8	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-94.8	127.9	172.7	-79.7	-172.3	-170.4	178.2	3	110.3	G5	G5-R7 PolarHBondContact O-N 2.88Å
8	Y	32.3	Very low	32.9	Very low	111 Å²	111	146.3 Å²	146.3	44%	0.435	77%	0.769	S	S	.	*	P	Polyproline II helix	trans	-91.5	146.2	172.3	-59.8	-82	0	0	0	110.1	V6 S176	V6-Y8 HydrophobicContact CG1-CE1 4.35Å; V6-Y8 HydrophobicContact CG1-CE2 4.34Å; Y8-S176 WeakPolarHBondContact OH-CB 3.42Å; Y8-S176 PolarHBondContact OH-OG 3.16Å
9	S	33.9	Very low	32.6	Very low	81 Å²	81	146.4 Å²	146.4	57%	0.566	78%	0.777	S	S	*	*			trans	-122.2	125.9	173.8	70.5	0	0	0	0	111.3
10	E	27.8	Very low	32.7	Very low	193 Å²	193	147.9 Å²	147.9	90%	0.902	78%	0.776	S	S	*	*			trans	-92.6	119.4	165.5	-66.4	176.2	166.9	0	0	108.3
11	R	32.9	Very low	32.6	Very low	232 Å²	232	148.8 Å²	148.8	88%	0.875	78%	0.782	S	S	*	*			trans	-152.4	142.3	162.5	-95.7	-165.6	-110.4	-156.4	-2.4	113.3
12	N	29.9	Very low	32.8	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	77%	0.766	S	S	*	*			trans	-75.3	144.6	176.3	-69.3	-30.5	0	0	0	113
13	D	28.7	Very low	32.8	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	76%	0.764	S	S	*	*			trans	-71.9	137.2	171.5	-85.7	-44.4	0	0	0	113.2
14	P	30.8	Very low	32.7	Very low	120 Å²	120	147.9 Å²	147.9	78%	0.779	77%	0.766	S	S	*	*			trans	-115.6	110.8	153.3	28.1	-11.5	0	0	0	110.3	C16	P14-C16 PolarHBondContact O-N 2.83Å
15	N	29.2	Very low	32.8	Very low	166 Å²	166	148.5 Å²	148.5	89%	0.888	77%	0.77	S	S	*	*			trans	-44.4	126.4	166.7	-83	-39.3	0	0	0	112.3
16	C	27.5	Very low	32.9	Very low	121 Å²	121	154.1 Å²	154.1	82%	0.818	78%	0.782	S	S	*	*			trans	-140.2	113.1	157.3	-166.3	0	0	0	0	110.6	P14	P14-C16 PolarHBondContact O-N 2.83Å
17	S	27.1	Very low	33.2	Very low	116 Å²	116	158 Å²	158	81%	0.811	81%	0.807	S	S	*	*			trans	-63.9	126	-177.3	-43.7	0	0	0	0	112.2
18	R	32.8	Very low	34	Very low	222 Å²	222	153.7 Å²	153.7	84%	0.838	80%	0.804	S	S	*	*			trans	-125.8	107.6	160.1	-79.4	-173.8	178.3	-178.8	-0.1	109.7	F20	R18-F20 PolarHBondContact O-N 2.81Å
19	T	27.3	Very low	35.2	Very low	149 Å²	149	155 Å²	155	91%	0.914	82%	0.824	S	S	*	*			trans	-60.6	104.4	169.1	17.7	0	0	0	0	110
20	F	33.5	Very low	36.6	Very low	175 Å²	175	158.6 Å²	158.6	77%	0.768	83%	0.825	S	S	*	*			trans	-100.8	122	167.2	-96.7	-90.4	0	0	0	109.5	R18 Q22	R18-F20 PolarHBondContact O-N 2.81Å; F20-Q22 PolarHBondContact O-N 2.68Å
21	N	31.7	Very low	38.6	Very low	168 Å²	168	153.1 Å²	153.1	90%	0.898	81%	0.807	S	S	*	*			trans	-52.1	104.7	173.3	-79.2	-36.8	0	0	0	111	K23	N21-K23 PolarHBondContact O-N 3.15Å
22	Q	36.8	Very low	41	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	79%	0.79	S	S	*	*			trans	-78	107.2	172.2	-77.9	178.8	-44.9	0	0	109.4	F20 V24	F20-Q22 PolarHBondContact O-N 2.68Å; Q22-V24 PolarHBondContact O-N 2.58Å
23	K	35.4	Very low	43.9	Very low	201 Å²	201	141 Å²	141	87%	0.874	76%	0.757	S	S	*	*			trans	-59.1	124.9	157.2	-89	-179.5	171.7	-179.2	0	107.8	N21 S25	N21-K23 PolarHBondContact O-N 3.15Å; K23-S25 PolarHBondContact O-N 3.44Å
24	V	37.3	Very low	47	Very low	147 Å²	147	138.2 Å²	138.2	89%	0.891	74%	0.738	S	S	*	*			trans	-65.6	94.3	173.4	-177.6	0	0	0	0	107.8	Q22	Q22-V24 PolarHBondContact O-N 2.58Å
25	S	42.7	Very low	50.1	Low	102 Å²	102	132.7 Å²	132.7	71%	0.713	70%	0.702	S	S	*	*			trans	-73.7	132.3	167.8	56	0	0	0	0	108.6	K23	K23-S25 PolarHBondContact O-N 3.44Å
26	E	38.8	Very low	53.3	Low	172 Å²	172	130 Å²	130	80%	0.804	68%	0.682	S	S	*	*			trans	-49	144.2	171.2	-67.3	179.1	172.1	0	0	111	V28	E26-V28 PolarHBondContact O-N 3.47Å
27	P	45.7	Very low	56.7	Low	123 Å²	123	124.2 Å²	124.2	80%	0.799	64%	0.644	S	S	*	*			trans	-67.1	97.5	-179.7	27.6	-31.7	0	0	0	108.3	T29	P27-T29 PolarHBondContact O-N 3.35Å
28	V	52.7	Low	60.1	Low	120 Å²	120	121.2 Å²	121.2	73%	0.727	62%	0.616	S	S	*	*			trans	-55.2	111.1	167.7	-177.7	0	0	0	0	106.2	E26 R30	E26-V28 PolarHBondContact O-N 3.47Å; V28-R30 VanDerWaalsContact C-N 3.31Å; V28-R30 PolarHBondContact O-N 2.9Å
29	T	55.7	Low	63.2	Low	139 Å²	139	111.3 Å²	111.3	85%	0.853	58%	0.58	S	S	*	*			trans	-60	97.1	172.3	21.9	0	0	0	0	107.3	P27	P27-T29 PolarHBondContact O-N 3.35Å
30	R	63.4	Low	66.5	Low	156 Å²	156	104.5 Å²	104.5	59%	0.589	54%	0.539	S	S	*	.			trans	-67.9	135.4	179.1	-65.7	-179.6	-173.2	-163.6	-6.1	108	V28 D32 N227	V28-R30 VanDerWaalsContact C-N 3.31Å; V28-R30 PolarHBondContact O-N 2.9Å; R30-D32 PolarHBondContact O-N 2.66Å; R30-N227 PolarHBondContact NH1-OD1 3.12Å; R30-N227 PolarHBondContact NH2-OD1 3.24Å
31	P	71.1	Confident	69.4	Low	79 Å²	79	98.1 Å²	98.1	51%	0.513	51%	0.511	S	S	.	.			trans	-55.4	133.5	173.2	-21.2	31.1	0	0	0	110.2	Y33	P31-Y33 HydrophobicContact CB-CE1 3.93Å; P31-Y33 HydrophobicContact CB-CE2 4.08Å
32	D	83.2	Confident	72.4	Confident	98 Å²	98	92.2 Å²	92.2	52%	0.524	49%	0.491	S	S	.	.			trans	-84.8	111.5	171.5	-165	11.3	0	0	0	108.4	R30 H34	R30-D32 PolarHBondContact O-N 2.66Å; D32-H34 PolarHBondContact O-CD2 3.13Å; D32-H34 IonicContact OD2-CE1 3.54Å; D32-H34 IonicContact OD2-NE2 3.44Å; D32-H34 PolarHBondContact OD2-NE2 3.24Å
33	Y	90.7	Very high	75.1	Confident	39 Å²	39	84.7 Å²	84.7	15%	0.153	46%	0.459	C	S	.	.			trans	-93.5	127.4	-177.2	-60.7	-71.6	0	0	0	110.2	P31 H49 L94 I220 I228	P31-Y33 HydrophobicContact CB-CE1 3.93Å; P31-Y33 HydrophobicContact CB-CE2 4.08Å; Y33-H49 WeakPolarHBondContact O-CA 3.23Å; Y33-H49 VanDerWaalsContact O-CB 3.23Å; Y33-H49 WeakPolarHBondContact O-CB 3.39Å; Y33-L94 HydrophobicContact CD1-CD2 3.45Å; Y33-L94 VanDerWaalsContact CD1-CD2 3.45Å; Y33-L94 HydrophobicContact CE1-CD2 3.4Å; Y33-L94 VanDerWaalsContact CE1-CD2 3.4Å; Y33-L94 HydrophobicContact CG-CD2 4.48Å; Y33-I220 HydrophobicContact CD1-CG2 4.11Å; Y33-I220 HydrophobicContact CD2-CD1 4.19Å; Y33-I220 HydrophobicContact CD2-CG2 4.13Å; Y33-I220 HydrophobicContact CE1-CG2 3.66Å; Y33-I220 HydrophobicContact CE2-CG2 3.66Å; Y33-I220 HydrophobicContact CG-CD1 4.26Å; Y33-I220 HydrophobicContact CG-CG2 4.33Å; Y33-I228 HydrophobicContact CD2-CD1 4.2Å; Y33-I228 HydrophobicContact CE2-CD1 4.31Å; Y33-I228 HydrophobicContact CE2-CG2 4.04Å
34	H	93.6	Very high	78	Confident	104 Å²	104	80.3 Å²	80.3	48%	0.481	45%	0.451	S	S	.	.			trans	-114.8	126.4	178	-60.1	-90	0	0	0	110.3	D32 I47 H49	D32-H34 PolarHBondContact O-CD2 3.13Å; D32-H34 IonicContact OD2-CE1 3.54Å; D32-H34 IonicContact OD2-NE2 3.44Å; D32-H34 PolarHBondContact OD2-NE2 3.24Å; H34-I47 HydrophobicContact CB-CG2 4.05Å; H34-H49 AromaticContact CE1-CG 3.85Å; H34-H49 WeakPolarHBondContact ND1-CB 3.41Å; H34-H49 AromaticContact ND1-CD2 3.94Å; H34-H49 AromaticContact ND1-CG 3.64Å
35	F	95.7	Very high	80.9	Confident	3 Å²	3	76.8 Å²	76.8	1%	0.013	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.1	177.2	-61.6	-86.7	0	0	0	110.1	I48 F51 I92 G93 L98 I220	F35-I48 PolarHBondContact N-O 3.43Å; F35-I48 PolarHBondContact O-N 2.88Å; F35-F51 AromaticContact CD2-CE1 3.97Å; F35-F51 HydrophobicContact CD2-CE1 3.97Å; F35-F51 AromaticContact CD2-CZ 3.45Å; F35-F51 HydrophobicContact CD2-CZ 3.45Å; F35-F51 VanDerWaalsContact CD2-CZ 3.45Å; F35-F51 HydrophobicContact CE2-CE1 4.44Å; F35-F51 HydrophobicContact CE2-CE2 4.36Å; F35-F51 AromaticContact CE2-CZ 3.63Å; F35-F51 HydrophobicContact CE2-CZ 3.63Å; F35-F51 HydrophobicContact CG-CZ 4.48Å; F35-I92 HydrophobicContact CD1-CG2 3.83Å; F35-I92 HydrophobicContact CE1-CB 4.23Å; F35-I92 HydrophobicContact CE1-CG2 3.48Å; F35-I92 VanDerWaalsContact CE1-CG2 3.48Å; F35-I92 HydrophobicContact CZ-CB 4.32Å; F35-I92 HydrophobicContact CZ-CG2 4.02Å; F35-G93 WeakPolarHBondContact CE1-O 3.47Å; F35-L98 HydrophobicContact CB-CD1 4.01Å; F35-L98 HydrophobicContact CB-CG 4.31Å; F35-L98 HydrophobicContact CG-CD1 4.4Å; F35-I220 HydrophobicContact CE2-CD1 3.64Å; F35-I220 HydrophobicContact CZ-CD1 3.45Å; F35-I220 VanDerWaalsContact CZ-CD1 3.45Å; F35-I220 HydrophobicContact CZ-CG1 3.91Å
36	F	97.3	Very high	83.6	Confident	110 Å²	110	72.3 Å²	72.3	48%	0.482	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.3	169.8	-64.4	-64.1	0	0	0	109.8	T45 G46 I47 F97 L98	F36-T45 HydrophobicContact CB-CG2 3.88Å; F36-T45 HydrophobicContact CD1-CG2 3.82Å; F36-T45 HydrophobicContact CG-CG2 4.2Å; F36-G46 WeakPolarHBondContact CA-O 3.47Å; F36-I47 HydrophobicContact CD1-CG1 3.9Å; F36-I47 HydrophobicContact CE1-CD1 4.02Å; F36-I47 HydrophobicContact CE1-CG1 3.83Å; F36-F97 HydrophobicContact CB-CD2 3.58Å; F36-F97 HydrophobicContact CB-CE1 4.48Å; F36-F97 HydrophobicContact CB-CE2 3.46Å; F36-F97 VanDerWaalsContact CB-CE2 3.46Å; F36-F97 HydrophobicContact CB-CG 4.17Å; F36-F97 HydrophobicContact CB-CZ 3.95Å; F36-F97 HydrophobicContact CG-CD2 4.48Å; F36-F97 HydrophobicContact CG-CE2 4.3Å; F36-L98 PolarHBondContact O-N 2.65Å
37	C	98.3	Very high	86.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149	179.7	-170.5	0	0	0	0	112.1	T45 G46 I48 F65 L98	C37-T45 CarbonylContact O-C 3.51Å; C37-T45 WeakPolarHBondContact O-CA 3.36Å; C37-G46 PolarHBondContact N-O 3.08Å; C37-G46 PolarHBondContact O-N 2.82Å; C37-I48 HydrophobicContact CB-CD1 4.09Å; C37-I48 HydrophobicContact CB-CG1 3.39Å; C37-F65 HydrophobicContact CB-CE2 4.31Å; C37-F65 WeakPolarHBondContact O-CZ 3.2Å; C37-L98 CarbonylContact C-O 3.55Å; C37-L98 WeakPolarHBondContact CA-O 3.49Å; C37-L98 HydrophobicContact CB-CB 4.22Å; C37-L98 PolarHBondContact SG-O 2.98Å; C37-L98 VanDerWaalsContact SG-O 3.4Å
38	Q	98.2	Very high	88.8	Confident	52 Å²	52	62.8 Å²	62.8	24%	0.243	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.3	166.5	-75.8	177	-7.2	0	0	109.8	S43 T45 F97 L98 F99 A100	Q38-S43 WeakPolarHBondContact CA-OG 3.42Å; Q38-T45 PolarHBondContact NE2-OG1 2.86Å; Q38-F97 HydrophobicContact CB-CE1 4.03Å; Q38-F97 HydrophobicContact CG-CE1 3.75Å; Q38-F97 HydrophobicContact CG-CZ 3.8Å; Q38-L98 PolarHBondContact N-O 3.1Å; Q38-F99 HydrophobicContact CB-CD1 3.99Å; Q38-F99 HydrophobicContact CB-CE1 4.05Å; Q38-F99 CarbonylContact O-C 3.56Å; Q38-F99 VanDerWaalsContact O-CA 3.29Å; Q38-F99 WeakPolarHBondContact O-CA 3.47Å; Q38-A100 PolarHBondContact O-N 3.46Å
39	L	98	Very high	90.8	Very high	15 Å²	15	61 Å²	61	8%	0.079	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.5	161	-56.2	-178.5	0	0	0	108.5	H41 G42 S43 F65 I67 A100 I102	L39-H41 PolarHBondContact O-N 2.98Å; L39-G42 WeakPolarHBondContact O-CA 3.17Å; L39-G42 PolarHBondContact O-N 2.88Å; L39-S43 PolarHBondContact N-OG 2.83Å; L39-F65 HydrophobicContact CD1-CB 4.22Å; L39-F65 HydrophobicContact CD1-CD1 4.49Å; L39-F65 HydrophobicContact CD1-CG 4.3Å; L39-F65 HydrophobicContact CD2-CB 4.15Å; L39-F65 HydrophobicContact CD2-CD2 3.67Å; L39-F65 HydrophobicContact CD2-CE2 4.23Å; L39-F65 HydrophobicContact CD2-CG 3.86Å; L39-F65 HydrophobicContact CG-CB 4.34Å; L39-F65 HydrophobicContact CG-CD1 4.15Å; L39-F65 HydrophobicContact CG-CD2 4.14Å; L39-F65 HydrophobicContact CG-CG 3.94Å; L39-I67 HydrophobicContact CD2-CD1 4.08Å; L39-A100 HydrophobicContact CD2-CB 4.19Å; L39-I102 HydrophobicContact CD2-CG2 4.25Å
40	A	96.7	Very high	92.6	Very high	6 Å²	6	56.8 Å²	56.8	5%	0.05	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	-175.7	0	0	0	0	0	112.9	G42 F99 A100 H101 C197	A40-G42 VanDerWaalsContact C-N 3.32Å; A40-F99 HydrophobicContact CB-CB 4.27Å; A40-A100 WeakPolarHBondContact CB-O 3.4Å; A40-A100 PolarHBondContact N-O 2.79Å; A40-H101 HydrophobicContact CB-CB 4.48Å; A40-H101 WeakPolarHBondContact CB-CE1 3.4Å; A40-H101 WeakPolarHBondContact CB-ND1 3.33Å; A40-C197 PolarHBondContact O-SG 3.27Å
41	H	94.8	Very high	94	Very high	40 Å²	40	49.8 Å²	49.8	19%	0.185	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.4	175.2	70.4	-95.8	0	0	0	113.7	L39 I102 E195 C197	L39-H41 PolarHBondContact O-N 2.98Å; H41-I102 WeakPolarHBondContact CE1-CD1 3.29Å; H41-E195 HydrophobicContact CB-CB 4.17Å; H41-E195 HydrophobicContact CB-CG 3.86Å; H41-E195 IonicContact CE1-OE2 2.81Å; H41-E195 IonicContact CG-OE2 2.81Å; H41-E195 IonicContact ND1-OE2 2.97Å; H41-E195 IonicContact NE2-OE2 3.77Å; H41-C197 WeakPolarHBondContact CA-SG 3.14Å; H41-C197 PolarHBondContact O-SG 3.49Å
42	G	93.5	Very high	94.9	Very high	45 Å²	45	47.8 Å²	47.8	46%	0.464	27%	0.274	S	S	.	.			trans	121.9	124.7	175.9	0	0	0	0	0	113.1	L39 A40	L39-G42 WeakPolarHBondContact O-CA 3.17Å; L39-G42 PolarHBondContact O-N 2.88Å; A40-G42 VanDerWaalsContact C-N 3.32Å
43	S	95.1	Very high	95.3	Very high	28 Å²	28	45.1 Å²	45.1	20%	0.196	26%	0.262	C	S	.	.			trans	-160.2	168.6	170.4	70.7	0	0	0	0	110.2	Q38 L39 F65	Q38-S43 WeakPolarHBondContact CA-OG 3.42Å; L39-S43 PolarHBondContact N-OG 2.83Å; S43-F65 WeakPolarHBondContact OG-CE1 3.45Å
44	P	96.5	Very high	95.3	Very high	109 Å²	109	44.5 Å²	44.5	71%	0.708	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-56.1	159.6	157.7	-22.6	34.8	0	0	0	111.7	G46 F65	P44-G46 PolarHBondContact O-N 2.8Å; P44-F65 WeakPolarHBondContact O-CE1 3.34Å
45	T	98.1	Very high	95.2	Very high	72 Å²	72	46.3 Å²	46.3	44%	0.442	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-77.3	119.7	173.7	-56	0	0	0	0	110.4	F36 C37 Q38 F97	F36-T45 HydrophobicContact CB-CG2 3.88Å; F36-T45 HydrophobicContact CD1-CG2 3.82Å; F36-T45 HydrophobicContact CG-CG2 4.2Å; C37-T45 CarbonylContact O-C 3.51Å; C37-T45 WeakPolarHBondContact O-CA 3.36Å; Q38-T45 PolarHBondContact NE2-OG1 2.86Å; T45-F97 HydrophobicContact CG2-CE2 3.97Å; T45-F97 HydrophobicContact CG2-CZ 3.65Å
46	G	97.8	Very high	95.1	Very high	9 Å²	9	50 Å²	50	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	163.4	168	0	0	0	0	0	112.4	F36 C37 P44 C64	F36-G46 WeakPolarHBondContact CA-O 3.47Å; C37-G46 PolarHBondContact N-O 3.08Å; C37-G46 PolarHBondContact O-N 2.82Å; P44-G46 PolarHBondContact O-N 2.8Å; G46-C64 VanDerWaalsContact CA-SG 3.55Å
47	I	97.4	Very high	95	Very high	92 Å²	92	44.8 Å²	44.8	47%	0.472	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.2	172.3	-56.3	176.4	0	0	0	107.5	H34 F36	H34-I47 HydrophobicContact CB-CG2 4.05Å; F36-I47 HydrophobicContact CD1-CG1 3.9Å; F36-I47 HydrophobicContact CE1-CD1 4.02Å; F36-I47 HydrophobicContact CE1-CG1 3.83Å
48	I	96.9	Very high	94.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.6	-176	-46.7	-57.9	0	0	0	108.4	F35 C37 F51 L57 K60 I61 C64	F35-I48 PolarHBondContact N-O 3.43Å; F35-I48 PolarHBondContact O-N 2.88Å; C37-I48 HydrophobicContact CB-CD1 4.09Å; C37-I48 HydrophobicContact CB-CG1 3.39Å; I48-F51 HydrophobicContact CB-CE1 4.34Å; I48-F51 HydrophobicContact CG2-CD1 3.89Å; I48-F51 HydrophobicContact CG2-CE1 3.69Å; I48-L57 HydrophobicContact CG2-CD1 3.85Å; I48-K60 HydrophobicContact CG2-CB 3.6Å; I48-I61 HydrophobicContact CD1-CG1 4.07Å; I48-I61 HydrophobicContact CG1-CG1 3.99Å; I48-I61 HydrophobicContact CG2-CG1 4.16Å; I48-C64 HydrophobicContact CD1-CB 3.5Å
49	H	95.4	Very high	94.8	Very high	83 Å²	83	45.1 Å²	45.1	38%	0.384	26%	0.264	S	S	.	.			trans	-153.3	174	-178.4	64.2	102.2	0	0	0	110.5	Y33 H34	Y33-H49 WeakPolarHBondContact O-CA 3.23Å; Y33-H49 VanDerWaalsContact O-CB 3.23Å; Y33-H49 WeakPolarHBondContact O-CB 3.39Å; H34-H49 AromaticContact CE1-CG 3.85Å; H34-H49 WeakPolarHBondContact ND1-CB 3.41Å; H34-H49 AromaticContact ND1-CD2 3.94Å; H34-H49 AromaticContact ND1-CG 3.64Å
50	G	92.6	Very high	94.8	Very high	50 Å²	50	47.8 Å²	47.8	52%	0.515	28%	0.275	S	S	.	.	S	Bend	trans	68.7	37.8	176.2	0	0	0	0	0	115
51	F	93.1	Very high	94.8	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.044	27%	0.272	C	S	.	.			trans	-127.6	149.5	174.6	59.4	-93.4	0	0	0	111.1	F35 I48 Q56 L57 K60 I92 F222	F35-F51 AromaticContact CD2-CE1 3.97Å; F35-F51 HydrophobicContact CD2-CE1 3.97Å; F35-F51 AromaticContact CD2-CZ 3.45Å; F35-F51 HydrophobicContact CD2-CZ 3.45Å; F35-F51 VanDerWaalsContact CD2-CZ 3.45Å; F35-F51 HydrophobicContact CE2-CE1 4.44Å; F35-F51 HydrophobicContact CE2-CE2 4.36Å; F35-F51 AromaticContact CE2-CZ 3.63Å; F35-F51 HydrophobicContact CE2-CZ 3.63Å; F35-F51 HydrophobicContact CG-CZ 4.48Å; I48-F51 HydrophobicContact CB-CE1 4.34Å; I48-F51 HydrophobicContact CG2-CD1 3.89Å; I48-F51 HydrophobicContact CG2-CE1 3.69Å; F51-Q56 HydrophobicContact CB-CB 3.67Å; F51-L57 HydrophobicContact CD1-CD1 4.07Å; F51-L57 HydrophobicContact CD2-CB 3.9Å; F51-L57 HydrophobicContact CD2-CD1 4.28Å; F51-L57 HydrophobicContact CE1-CD1 3.71Å; F51-L57 HydrophobicContact CE2-CB 4.28Å; F51-L57 HydrophobicContact CE2-CD1 3.97Å; F51-L57 HydrophobicContact CG-CB 4.08Å; F51-L57 HydrophobicContact CG-CD1 4.34Å; F51-L57 HydrophobicContact CZ-CD1 3.64Å; F51-K60 HydrophobicContact CB-CG 4.33Å; F51-I92 HydrophobicContact CE2-CD1 4.27Å; F51-F222 AromaticContact CD2-CE1 3.84Å; F51-F222 HydrophobicContact CD2-CE1 3.84Å; F51-F222 AromaticContact CD2-CZ 3.92Å; F51-F222 HydrophobicContact CD2-CZ 3.92Å; F51-F222 AromaticContact CE2-CE1 3.72Å; F51-F222 HydrophobicContact CE2-CE1 3.72Å; F51-F222 AromaticContact CE2-CZ 3.56Å; F51-F222 HydrophobicContact CE2-CZ 3.56Å
52	T	91	Very high	95	Very high	36 Å²	36	45.9 Å²	45.9	22%	0.221	27%	0.266	C	S	.	.	S	Bend	trans	-127.7	-0.1	176.8	69.8	0	0	0	0	113.7	Q56 F222 G226 I228	T52-Q56 PolarHBondContact OG1-OE1 3.36Å; T52-F222 VanDerWaalsContact O-CD1 3.3Å; T52-F222 WeakPolarHBondContact O-CD1 3.5Å; T52-G226 WeakPolarHBondContact CB-O 3.31Å; T52-G226 PolarHBondContact OG1-O 2.79Å; T52-G226 VanDerWaalsContact OG1-O 3.08Å; T52-I228 HydrophobicContact CG2-CD1 4Å; T52-I228 HydrophobicContact CG2-CG1 4.18Å
53	T	90.4	Very high	95.2	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.258	27%	0.269	S	S	.	.	S	Bend	trans	-138.3	158.2	177.3	63.2	0	0	0	0	110.4	R55 Q56 L57	T53-R55 PolarHBondContact O-N 3.21Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact O-N 3.14Å; T53-Q56 WeakPolarHBondContact OG1-CB 3.36Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.24Å; T53-Q56 PolarHBondContact OG1-N 2.95Å; T53-L57 PolarHBondContact O-N 2.76Å
54	V	90.6	Very high	95.3	Very high	27 Å²	27	50.5 Å²	50.5	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-36	174.9	-177.3	0	0	0	0	111.7	L57 H58 N125 F222	V54-L57 WeakPolarHBondContact O-CB 3.41Å; V54-L57 PolarHBondContact O-N 3.15Å; V54-H58 PolarHBondContact O-N 2.81Å; V54-N125 WeakPolarHBondContact CG1-O 3.26Å; V54-F222 HydrophobicContact CG2-CD2 3.63Å; V54-F222 HydrophobicContact CG2-CE2 3.97Å
55	R	92	Very high	95.4	Very high	142 Å²	142	47 Å²	47	54%	0.536	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-48.4	175.4	-175.6	71.1	69.6	174.3	1.8	111.5	T53 L57 H58 T59 C127	T53-R55 PolarHBondContact O-N 3.21Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-H58 PolarHBondContact O-N 2.6Å; R55-T59 PolarHBondContact O-N 3.2Å; R55-T59 PolarHBondContact O-OG1 3.2Å; R55-C127 PolarHBondContact NH1-O 3.33Å; R55-C127 PolarHBondContact NH2-O 3.17Å; R55-C127 VanDerWaalsContact NH2-O 3.13Å
56	Q	94	Very high	95.4	Very high	81 Å²	81	50.9 Å²	50.9	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-36.4	177.4	-73.1	171.1	-7.4	0	0	111.8	F51 T52 T53 H58 T59 K60	F51-Q56 HydrophobicContact CB-CB 3.67Å; T52-Q56 PolarHBondContact OG1-OE1 3.36Å; T53-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 VanDerWaalsContact O-N 3.14Å; T53-Q56 WeakPolarHBondContact OG1-CB 3.36Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.24Å; T53-Q56 PolarHBondContact OG1-N 2.95Å; Q56-H58 PolarHBondContact O-N 2.95Å; Q56-T59 PolarHBondContact O-N 3.05Å; Q56-K60 WeakPolarHBondContact O-CB 3.24Å; Q56-K60 VanDerWaalsContact O-CG 3.3Å; Q56-K60 WeakPolarHBondContact O-CG 3.39Å; Q56-K60 PolarHBondContact O-N 3.34Å
57	L	94.5	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-51.2	172.3	170.6	67.6	0	0	0	110.7	I48 F51 T53 V54 R55 T59 K60 I61 L88 I92 L98	I48-L57 HydrophobicContact CG2-CD1 3.85Å; F51-L57 HydrophobicContact CD1-CD1 4.07Å; F51-L57 HydrophobicContact CD2-CB 3.9Å; F51-L57 HydrophobicContact CD2-CD1 4.28Å; F51-L57 HydrophobicContact CE1-CD1 3.71Å; F51-L57 HydrophobicContact CE2-CB 4.28Å; F51-L57 HydrophobicContact CE2-CD1 3.97Å; F51-L57 HydrophobicContact CG-CB 4.08Å; F51-L57 HydrophobicContact CG-CD1 4.34Å; F51-L57 HydrophobicContact CZ-CD1 3.64Å; T53-L57 PolarHBondContact O-N 2.76Å; V54-L57 WeakPolarHBondContact O-CB 3.41Å; V54-L57 PolarHBondContact O-N 3.15Å; R55-L57 VanDerWaalsContact C-N 3.33Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 2.84Å; L57-K60 PolarHBondContact O-N 2.81Å; L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.26Å; L57-I61 HydrophobicContact CG-CD1 3.94Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.01Å; L57-L88 HydrophobicContact CD2-CD2 3.39Å; L57-I92 HydrophobicContact CD2-CD1 3.93Å; L57-L98 HydrophobicContact CD1-CD1 4Å; L57-L98 HydrophobicContact CD2-CD1 4.49Å
58	H	95.4	Very high	95.2	Very high	9 Å²	9	52.4 Å²	52.4	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-40.3	177.4	-73.2	-172.3	0	0	0	112	V54 R55 Q56 K60 I61 S62 I72	V54-H58 PolarHBondContact O-N 2.81Å; R55-H58 PolarHBondContact O-N 2.6Å; Q56-H58 PolarHBondContact O-N 2.95Å; H58-K60 PolarHBondContact O-N 2.89Å; H58-I61 PolarHBondContact O-N 3.33Å; H58-S62 VanDerWaalsContact O-CB 3.3Å; H58-S62 WeakPolarHBondContact O-CB 2.72Å; H58-S62 PolarHBondContact O-N 3.49Å; H58-S62 PolarHBondContact O-OG 3.09Å; H58-I72 HydrophobicContact CB-CD1 4.05Å; H58-I72 WeakPolarHBondContact O-CD1 3.38Å
59	T	96.5	Very high	94.9	Very high	49 Å²	49	55.2 Å²	55.2	30%	0.301	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-46.6	173.2	-60.7	0	0	0	0	111.3	R55 Q56 L57 I61 S62 E63	R55-T59 PolarHBondContact O-N 3.2Å; R55-T59 PolarHBondContact O-OG1 3.2Å; Q56-T59 PolarHBondContact O-N 3.05Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 2.84Å; T59-I61 PolarHBondContact O-N 2.91Å; T59-S62 WeakPolarHBondContact CA-OG 3.47Å; T59-S62 WeakPolarHBondContact O-CB 3.48Å; T59-S62 PolarHBondContact O-N 3.4Å; T59-S62 VanDerWaalsContact O-N 3.1Å; T59-S62 PolarHBondContact O-OG 2.86Å; T59-E63 HydrophobicContact CG2-CG 4.46Å; T59-E63 WeakPolarHBondContact CG2-OE1 3.34Å; T59-E63 WeakPolarHBondContact O-CG 3.39Å; T59-E63 PolarHBondContact O-N 3.13Å
60	K	97.8	Very high	94.7	Very high	71 Å²	71	54.1 Å²	54.1	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-38.4	-179.9	-69.6	-71.6	165.4	-152.6	0	113	I48 F51 Q56 L57 H58 S62 E63 C64	I48-K60 HydrophobicContact CG2-CB 3.6Å; F51-K60 HydrophobicContact CB-CG 4.33Å; Q56-K60 WeakPolarHBondContact O-CB 3.24Å; Q56-K60 VanDerWaalsContact O-CG 3.3Å; Q56-K60 WeakPolarHBondContact O-CG 3.39Å; Q56-K60 PolarHBondContact O-N 3.34Å; L57-K60 PolarHBondContact O-N 2.81Å; H58-K60 PolarHBondContact O-N 2.89Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-E63 WeakPolarHBondContact CD-OE2 3.29Å; K60-E63 IonicContact NZ-OE1 3.84Å; K60-E63 IonicContact NZ-OE2 2.91Å; K60-E63 PolarHBondContact NZ-OE2 3.32Å; K60-C64 VanDerWaalsContact O-CB 3.29Å; K60-C64 WeakPolarHBondContact O-CB 3.23Å; K60-C64 PolarHBondContact O-N 3.23Å
61	I	98.1	Very high	94.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-45	170.3	-68.4	169	0	0	0	110.1	I48 L57 H58 T59 E63 C64 F65 I72 A100	I48-I61 HydrophobicContact CD1-CG1 4.07Å; I48-I61 HydrophobicContact CG1-CG1 3.99Å; I48-I61 HydrophobicContact CG2-CG1 4.16Å; L57-I61 HydrophobicContact CD1-CD1 3.92Å; L57-I61 HydrophobicContact CD1-CG1 4.26Å; L57-I61 HydrophobicContact CG-CD1 3.94Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.01Å; H58-I61 PolarHBondContact O-N 3.33Å; T59-I61 PolarHBondContact O-N 2.91Å; I61-E63 PolarHBondContact O-N 3.47Å; I61-C64 PolarHBondContact O-N 3.02Å; I61-F65 HydrophobicContact CG2-CD2 3.84Å; I61-F65 HydrophobicContact CG2-CE2 4.11Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.38Å; I61-F65 PolarHBondContact O-N 3.49Å; I61-F65 VanDerWaalsContact O-N 3.13Å; I61-I72 HydrophobicContact CB-CD1 3.83Å; I61-I72 HydrophobicContact CG2-CD1 3.61Å; I61-I72 HydrophobicContact CG2-CG1 4.48Å; I61-A100 HydrophobicContact CD1-CB 4.48Å; I61-A100 HydrophobicContact CG2-CB 3.72Å
62	S	97.6	Very high	95	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-40.1	-177.8	77.5	0	0	0	0	112.8	H58 T59 K60 F65 D66 I67	H58-S62 VanDerWaalsContact O-CB 3.3Å; H58-S62 WeakPolarHBondContact O-CB 2.72Å; H58-S62 PolarHBondContact O-N 3.49Å; H58-S62 PolarHBondContact O-OG 3.09Å; T59-S62 WeakPolarHBondContact CA-OG 3.47Å; T59-S62 WeakPolarHBondContact O-CB 3.48Å; T59-S62 PolarHBondContact O-N 3.4Å; T59-S62 VanDerWaalsContact O-N 3.1Å; T59-S62 PolarHBondContact O-OG 2.86Å; K60-S62 VanDerWaalsContact C-N 3.32Å; S62-F65 PolarHBondContact O-N 2.82Å; S62-D66 WeakPolarHBondContact O-CA 3.37Å; S62-D66 PolarHBondContact O-N 2.88Å; S62-I67 VanDerWaalsContact CB-O 3.28Å; S62-I67 WeakPolarHBondContact CB-O 3.41Å; S62-I67 PolarHBondContact O-N 3.1Å
63	E	98.3	Very high	95.3	Very high	114 Å²	114	53 Å²	53	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-44.2	172.5	-71.8	169.4	-175.1	0	0	111	T59 K60 I61 F65 D66	T59-E63 HydrophobicContact CG2-CG 4.46Å; T59-E63 WeakPolarHBondContact CG2-OE1 3.34Å; T59-E63 WeakPolarHBondContact O-CG 3.39Å; T59-E63 PolarHBondContact O-N 3.13Å; K60-E63 WeakPolarHBondContact CD-OE2 3.29Å; K60-E63 IonicContact NZ-OE1 3.84Å; K60-E63 IonicContact NZ-OE2 2.91Å; K60-E63 PolarHBondContact NZ-OE2 3.32Å; I61-E63 PolarHBondContact O-N 3.47Å; E63-F65 VanDerWaalsContact C-N 3.27Å; E63-F65 PolarHBondContact O-N 3Å; E63-D66 PolarHBondContact O-N 2.8Å
64	C	98.4	Very high	95.7	Very high	55 Å²	55	51 Å²	51	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-30.7	-177.9	-173.7	0	0	0	0	113.5	G46 I48 K60 I61	G46-C64 VanDerWaalsContact CA-SG 3.55Å; I48-C64 HydrophobicContact CD1-CB 3.5Å; K60-C64 VanDerWaalsContact O-CB 3.29Å; K60-C64 WeakPolarHBondContact O-CB 3.23Å; K60-C64 PolarHBondContact O-N 3.23Å; I61-C64 PolarHBondContact O-N 3.02Å
65	F	98.2	Very high	96	Very high	35 Å²	35	49.8 Å²	49.8	15%	0.154	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	8.5	-176.5	-63.6	-64.9	0	0	0	113.9	C37 L39 S43 P44 I61 S62 E63 I67	C37-F65 HydrophobicContact CB-CE2 4.31Å; C37-F65 WeakPolarHBondContact O-CZ 3.2Å; L39-F65 HydrophobicContact CD1-CB 4.22Å; L39-F65 HydrophobicContact CD1-CD1 4.49Å; L39-F65 HydrophobicContact CD1-CG 4.3Å; L39-F65 HydrophobicContact CD2-CB 4.15Å; L39-F65 HydrophobicContact CD2-CD2 3.67Å; L39-F65 HydrophobicContact CD2-CE2 4.23Å; L39-F65 HydrophobicContact CD2-CG 3.86Å; L39-F65 HydrophobicContact CG-CB 4.34Å; L39-F65 HydrophobicContact CG-CD1 4.15Å; L39-F65 HydrophobicContact CG-CD2 4.14Å; L39-F65 HydrophobicContact CG-CG 3.94Å; S43-F65 WeakPolarHBondContact OG-CE1 3.45Å; P44-F65 WeakPolarHBondContact O-CE1 3.34Å; I61-F65 HydrophobicContact CG2-CD2 3.84Å; I61-F65 HydrophobicContact CG2-CE2 4.11Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.38Å; I61-F65 PolarHBondContact O-N 3.49Å; I61-F65 VanDerWaalsContact O-N 3.13Å; S62-F65 PolarHBondContact O-N 2.82Å; E63-F65 VanDerWaalsContact C-N 3.27Å; E63-F65 PolarHBondContact O-N 3Å; F65-I67 VanDerWaalsContact C-N 3.3Å; F65-I67 HydrophobicContact CB-CG1 4.35Å; F65-I67 PolarHBondContact O-N 2.66Å
66	D	97.5	Very high	96.1	Very high	155 Å²	155	43 Å²	43	83%	0.829	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	47.7	-178.2	-164.3	30	0	0	0	113.1	S62 E63	S62-D66 WeakPolarHBondContact O-CA 3.37Å; S62-D66 PolarHBondContact O-N 2.88Å; E63-D66 PolarHBondContact O-N 2.8Å
67	I	97.1	Very high	96.2	Very high	41 Å²	41	42.4 Å²	42.4	21%	0.21	22%	0.224	C	C	.	.			trans	-119.8	159.5	176.5	60.5	172.5	0	0	0	110.5	L39 S62 F65 I72 I102	L39-I67 HydrophobicContact CD2-CD1 4.08Å; S62-I67 VanDerWaalsContact CB-O 3.28Å; S62-I67 WeakPolarHBondContact CB-O 3.41Å; S62-I67 PolarHBondContact O-N 3.1Å; F65-I67 VanDerWaalsContact C-N 3.3Å; F65-I67 HydrophobicContact CB-CG1 4.35Å; F65-I67 PolarHBondContact O-N 2.66Å; I67-I72 HydrophobicContact CD1-CD1 4.46Å; I67-I72 HydrophobicContact CD1-CG1 4.01Å; I67-I102 HydrophobicContact CD1-CG2 3.77Å
68	N	94.3	Very high	96.2	Very high	92 Å²	92	45.1 Å²	45.1	49%	0.492	24%	0.239	S	C	.	.			trans	-72.3	135.1	172.8	-173.2	-67.8	0	0	0	110.3	S70 Q71	N68-S70 PolarHBondContact O-N 2.86Å; N68-S70 VanDerWaalsContact O-N 3.08Å; N68-S70 VanDerWaalsContact OD1-CB 3.26Å; N68-S70 WeakPolarHBondContact OD1-CB 3.47Å; N68-S70 PolarHBondContact OD1-N 2.9Å; N68-S70 PolarHBondContact OD1-OG 2.73Å; N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 VanDerWaalsContact O-CB 3.24Å; N68-Q71 WeakPolarHBondContact O-CB 3.34Å; N68-Q71 WeakPolarHBondContact O-CG 3.3Å; N68-Q71 PolarHBondContact O-N 3.4Å
69	P	91.1	Very high	96.1	Very high	61 Å²	61	45.8 Å²	45.8	40%	0.396	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.7	-179	21.9	-33.9	0	0	0	113.6	Q71 I72	P69-Q71 PolarHBondContact O-N 2.85Å; P69-I72 PolarHBondContact O-N 2.8Å
70	S	91.2	Very high	95.9	Very high	60 Å²	60	48 Å²	48	42%	0.42	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-71.6	-8.9	175.2	71.7	0	0	0	0	114.4	N68 K103	N68-S70 PolarHBondContact O-N 2.86Å; N68-S70 VanDerWaalsContact O-N 3.08Å; N68-S70 VanDerWaalsContact OD1-CB 3.26Å; N68-S70 WeakPolarHBondContact OD1-CB 3.47Å; N68-S70 PolarHBondContact OD1-N 2.9Å; N68-S70 PolarHBondContact OD1-OG 2.73Å; S70-K103 VanDerWaalsContact O-CE 3.24Å; S70-K103 WeakPolarHBondContact O-CE 3.14Å; S70-K103 PolarHBondContact O-NZ 2.99Å
71	Q	95.4	Very high	95.8	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-78.9	-26.7	172.7	-62.5	-58.5	-44.4	0	0	111.8	N68 P69 M73 I102 K103	N68-Q71 HydrophobicContact CB-CG 4.13Å; N68-Q71 VanDerWaalsContact O-CB 3.24Å; N68-Q71 WeakPolarHBondContact O-CB 3.34Å; N68-Q71 WeakPolarHBondContact O-CG 3.3Å; N68-Q71 PolarHBondContact O-N 3.4Å; P69-Q71 PolarHBondContact O-N 2.85Å; Q71-M73 PolarHBondContact O-N 2.85Å; Q71-I102 HydrophobicContact CB-CB 4.38Å; Q71-I102 CarbonylContact O-C 3.53Å; Q71-I102 WeakPolarHBondContact O-CA 3.43Å; Q71-I102 WeakPolarHBondContact O-CB 3.33Å; Q71-K103 PolarHBondContact O-N 2.96Å
72	I	96.6	Very high	95.5	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.5	-180	-59.1	170.9	0	0	0	109	H58 I61 I67 P69 I102	H58-I72 HydrophobicContact CB-CD1 4.05Å; H58-I72 WeakPolarHBondContact O-CD1 3.38Å; I61-I72 HydrophobicContact CB-CD1 3.83Å; I61-I72 HydrophobicContact CG2-CD1 3.61Å; I61-I72 HydrophobicContact CG2-CG1 4.48Å; I67-I72 HydrophobicContact CD1-CD1 4.46Å; I67-I72 HydrophobicContact CD1-CG1 4.01Å; P69-I72 PolarHBondContact O-N 2.8Å; I72-I102 HydrophobicContact CG1-CG2 4.41Å
73	M	97.2	Very high	95.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-53.5	175.9	-62.3	172.9	69.2	0	0	109.9	Q71 H101 K103 N125 G155 Q157 I192 P194	Q71-M73 PolarHBondContact O-N 2.85Å; M73-H101 WeakPolarHBondContact CB-O 3.47Å; M73-H101 PolarHBondContact N-O 3.44Å; M73-K103 HydrophobicContact CG-CB 4.43Å; M73-K103 HydrophobicContact CG-CG 3.62Å; M73-K103 VanDerWaalsContact SD-CA 3.57Å; M73-K103 HydrophobicContact SD-CB 4.44Å; M73-K103 HydrophobicContact SD-CG 4.09Å; M73-N125 WeakPolarHBondContact O-CB 3.24Å; M73-N125 PolarHBondContact O-ND2 2.97Å; M73-G155 WeakPolarHBondContact CE-O 3.39Å; M73-Q157 HydrophobicContact CE-CB 3.51Å; M73-I192 WeakPolarHBondContact CE-O 3.46Å; M73-P194 HydrophobicContact CE-CB 4.48Å; M73-P194 VanDerWaalsContact SD-CA 3.52Å; M73-P194 HydrophobicContact SD-CB 3.96Å
74	F	97	Very high	95.2	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	174	178.8	54.8	-88.7	0	0	0	110.1	T76 L82 M84 L87 H101 I131 G155 P194	F74-T76 HydrophobicContact CD2-CG2 4.27Å; F74-T76 HydrophobicContact CE2-CG2 4.08Å; F74-L82 HydrophobicContact CE2-CD1 4.15Å; F74-L82 HydrophobicContact CZ-CD1 3.6Å; F74-M84 HydrophobicContact CD2-CE 4.37Å; F74-M84 HydrophobicContact CE2-CE 3.52Å; F74-M84 HydrophobicContact CZ-CE 3.66Å; F74-M84 HydrophobicContact CZ-SD 4.47Å; F74-L87 HydrophobicContact CB-CD1 3.56Å; F74-L87 HydrophobicContact CD2-CD1 3.51Å; F74-L87 HydrophobicContact CE2-CD1 4.43Å; F74-L87 HydrophobicContact CG-CD1 3.66Å; F74-H101 HydrophobicContact CD1-CB 4.42Å; F74-H101 HydrophobicContact CD2-CB 4.01Å; F74-H101 AromaticContact CD2-CD2 3.76Å; F74-H101 AromaticContact CD2-CG 3.97Å; F74-H101 HydrophobicContact CE1-CB 4.05Å; F74-H101 HydrophobicContact CE2-CB 3.59Å; F74-H101 AromaticContact CE2-CD2 3.32Å; F74-H101 WeakPolarHBondContact CE2-CD2 3.32Å; F74-H101 AromaticContact CE2-CG 3.29Å; F74-H101 AromaticContact CE2-ND1 3.84Å; F74-H101 AromaticContact CE2-NE2 3.87Å; F74-H101 HydrophobicContact CG-CB 4.38Å; F74-H101 HydrophobicContact CZ-CB 3.6Å; F74-H101 AromaticContact CZ-CG 3.61Å; F74-H101 AromaticContact CZ-ND1 3.94Å; F74-H101 PolarHBondContact N-O 2.82Å; F74-H101 PolarHBondContact O-N 3.19Å; F74-I131 HydrophobicContact CB-CD1 3.7Å; F74-I131 HydrophobicContact CD1-CD1 3.43Å; F74-I131 VanDerWaalsContact CD1-CD1 3.43Å; F74-I131 HydrophobicContact CD1-CG1 4.03Å; F74-I131 HydrophobicContact CD1-CG2 4.39Å; F74-I131 HydrophobicContact CE1-CD1 4.41Å; F74-I131 HydrophobicContact CE1-CG2 4.36Å; F74-I131 HydrophobicContact CG-CD1 3.88Å; F74-G155 WeakPolarHBondContact CE1-O 3.26Å; F74-P194 HydrophobicContact CE1-CB 4.49Å; F74-P194 HydrophobicContact CZ-CB 4.33Å; F74-P194 HydrophobicContact CZ-CG 4.35Å
75	C	97	Very high	94.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	151.4	171	-60.2	0	0	0	0	110.8	L88 F99	C75-L88 HydrophobicContact CB-CB 3.8Å; C75-L88 HydrophobicContact CB-CD2 3.75Å; C75-L88 HydrophobicContact CB-CG 4.44Å; C75-L88 WeakPolarHBondContact O-CB 3.27Å; C75-L88 PolarHBondContact O-N 3.08Å; C75-F99 CarbonylContact C-O 3.54Å; C75-F99 WeakPolarHBondContact CA-O 3.43Å
76	T	96	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.7	166.2	49.5	0	0	0	0	110.4	F74 T79 D83 K86 F99 H101	F74-T76 HydrophobicContact CD2-CG2 4.27Å; F74-T76 HydrophobicContact CE2-CG2 4.08Å; T76-T79 PolarHBondContact OG1-O 2.55Å; T76-D83 WeakPolarHBondContact CG2-O 3.35Å; T76-K86 CarbonylContact C-O 3.45Å; T76-K86 VanDerWaalsContact CA-O 3.3Å; T76-K86 WeakPolarHBondContact CA-O 3.45Å; T76-F99 PolarHBondContact N-O 3.5Å; T76-F99 PolarHBondContact O-N 3.31Å; T76-H101 WeakPolarHBondContact CG2-NE2 3.17Å; T76-H101 PolarHBondContact OG1-NE2 3.25Å
77	R	94.2	Very high	94.4	Very high	68 Å²	68	49.8 Å²	49.8	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133	177.4	-63.8	172.1	-72.8	167.7	1.2	110.7	T79 K86 L88 D96 L98	R77-T79 PolarHBondContact O-N 2.99Å; R77-K86 PolarHBondContact N-O 2.8Å; R77-L88 HydrophobicContact CG-CB 4.48Å; R77-L88 HydrophobicContact CG-CD1 3.65Å; R77-D96 WeakPolarHBondContact CD-OD2 3.41Å; R77-L98 HydrophobicContact CG-CD2 4.32Å
78	N	95	Very high	94.2	Very high	56 Å²	56	48.5 Å²	48.5	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	60.1	11	169.7	-54.3	-41.1	0	0	0	115.8	D96 F97 I213	N78-D96 PolarHBondContact ND2-OD1 2.87Å; N78-D96 WeakPolarHBondContact OD1-CA 3.46Å; N78-F97 PolarHBondContact N-O 2.85Å; N78-F97 PolarHBondContact OD1-N 3.4Å; N78-I213 PolarHBondContact ND2-O 2.99Å
79	T	94.3	Very high	93.7	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.141	23%	0.231	C	C	.	.			trans	-153.6	136	176	-175.8	0	0	0	0	111.2	T76 R77 K81 D83 K86 F99	T76-T79 PolarHBondContact OG1-O 2.55Å; R77-T79 PolarHBondContact O-N 2.99Å; T79-K81 VanDerWaalsContact C-N 3.26Å; T79-K81 WeakPolarHBondContact OG1-CB 3.16Å; T79-K81 PolarHBondContact OG1-N 2.85Å; T79-K81 VanDerWaalsContact OG1-N 3.1Å; T79-D83 HydrophobicContact CG2-CB 4.05Å; T79-K86 HydrophobicContact CG2-CB 3.99Å; T79-K86 HydrophobicContact CG2-CG 3.93Å; T79-F99 WeakPolarHBondContact O-CB 3.22Å; T79-F99 WeakPolarHBondContact O-CD2 3.29Å; T79-F99 WeakPolarHBondContact O-CG 3.17Å
80	H	92.7	Very high	93.3	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.44	22%	0.216	S	C	.	.	S	Bend	trans	-77.2	-16.4	168.5	65	-84.1	0	0	0	112	F99 H101	H80-F99 HydrophobicContact CB-CD1 3.48Å; H80-F99 VanDerWaalsContact CB-CD1 3.48Å; H80-F99 HydrophobicContact CB-CE1 3.71Å; H80-F99 HydrophobicContact CB-CG 4.09Å; H80-F99 HydrophobicContact CB-CZ 4.49Å; H80-H101 PolarHBondContact O-CE1 2.88Å
81	K	94.1	Very high	93.2	Very high	140 Å²	140	42 Å²	42	61%	0.609	20%	0.202	S	C	*	.	S	Bend	trans	-64.1	149.2	179.7	-61.2	-177.8	178.1	-179.4	0	109.6	T79 D83	T79-K81 VanDerWaalsContact C-N 3.26Å; T79-K81 WeakPolarHBondContact OG1-CB 3.16Å; T79-K81 PolarHBondContact OG1-N 2.85Å; T79-K81 VanDerWaalsContact OG1-N 3.1Å; K81-D83 VanDerWaalsContact C-N 3.29Å; K81-D83 PolarHBondContact O-N 2.79Å
82	L	92.4	Very high	93	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.346	19%	0.186	S	C	.	.			trans	-69.4	89.8	171.5	-170.3	66.1	0	0	0	109.6	F74 M84 P154 P194	F74-L82 HydrophobicContact CE2-CD1 4.15Å; F74-L82 HydrophobicContact CZ-CD1 3.6Å; L82-M84 HydrophobicContact CD1-CE 3.44Å; L82-M84 VanDerWaalsContact CD1-CE 3.44Å; L82-M84 HydrophobicContact CG-CE 4.01Å; L82-P154 WeakPolarHBondContact CD2-O 3.27Å; L82-P194 HydrophobicContact CD1-CG 3.68Å; L82-P194 HydrophobicContact CD2-CG 4.18Å
83	D	94.2	Very high	92.7	Very high	52 Å²	52	38.7 Å²	38.7	28%	0.278	19%	0.187	S	C	.	.			trans	-128.1	102.5	-177.9	-175.8	-16	0	0	0	109	T76 T79 K81 D85 K86	T76-D83 WeakPolarHBondContact CG2-O 3.35Å; T79-D83 HydrophobicContact CG2-CB 4.05Å; K81-D83 VanDerWaalsContact C-N 3.29Å; K81-D83 PolarHBondContact O-N 2.79Å; D83-D85 PolarHBondContact O-N 3.22Å; D83-D85 WeakPolarHBondContact OD1-CB 3.34Å; D83-D85 PolarHBondContact OD1-N 2.83Å; D83-K86 HydrophobicContact CB-CB 4.23Å; D83-K86 HydrophobicContact CB-CG 4.14Å; D83-K86 PolarHBondContact O-N 2.9Å; D83-K86 VanDerWaalsContact O-N 3.09Å; D83-K86 PolarHBondContact OD1-N 2.84Å; D83-K86 WeakPolarHBondContact OD2-CG 3.22Å
84	M	94.5	Very high	92.3	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.059	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-72.2	-13.8	-176.6	-64	-59	94.2	0	0	113.4	F74 L82 K86 L87 I131 K133 P154	F74-M84 HydrophobicContact CD2-CE 4.37Å; F74-M84 HydrophobicContact CE2-CE 3.52Å; F74-M84 HydrophobicContact CZ-CE 3.66Å; F74-M84 HydrophobicContact CZ-SD 4.47Å; L82-M84 HydrophobicContact CD1-CE 3.44Å; L82-M84 VanDerWaalsContact CD1-CE 3.44Å; L82-M84 HydrophobicContact CG-CE 4.01Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-L87 WeakPolarHBondContact O-CB 3.29Å; M84-I131 HydrophobicContact SD-CG2 4.37Å; M84-K133 HydrophobicContact CB-CG 3.97Å; M84-K133 WeakPolarHBondContact CB-O 3.4Å; M84-K133 WeakPolarHBondContact CG-O 3.47Å; M84-K133 WeakPolarHBondContact O-CE 3.46Å; M84-P154 HydrophobicContact CG-CB 3.91Å
85	D	92.2	Very high	91.9	Very high	98 Å²	98	46.1 Å²	46.1	52%	0.524	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-80	-18.7	171.9	-63.2	-33.6	0	0	0	111.2	D83 R134	D83-D85 PolarHBondContact O-N 3.22Å; D83-D85 WeakPolarHBondContact OD1-CB 3.34Å; D83-D85 PolarHBondContact OD1-N 2.83Å; D85-R134 IonicContact OD1-CZ 2.79Å; D85-R134 IonicContact OD1-NE 3.85Å; D85-R134 IonicContact OD1-NH2 2.6Å; D85-R134 PolarHBondContact OD1-NH2 2.87Å
86	K	93	Very high	91.7	Very high	98 Å²	98	46.6 Å²	46.6	43%	0.426	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-94.9	7.1	173.1	-59.9	-60.8	-179.7	-172.3	0	113.7	T76 R77 T79 D83 M84 L88	T76-K86 CarbonylContact C-O 3.45Å; T76-K86 VanDerWaalsContact CA-O 3.3Å; T76-K86 WeakPolarHBondContact CA-O 3.45Å; R77-K86 PolarHBondContact N-O 2.8Å; T79-K86 HydrophobicContact CG2-CB 3.99Å; T79-K86 HydrophobicContact CG2-CG 3.93Å; D83-K86 HydrophobicContact CB-CB 4.23Å; D83-K86 HydrophobicContact CB-CG 4.14Å; D83-K86 PolarHBondContact O-N 2.9Å; D83-K86 VanDerWaalsContact O-N 3.09Å; D83-K86 PolarHBondContact OD1-N 2.84Å; D83-K86 WeakPolarHBondContact OD2-CG 3.22Å; M84-K86 VanDerWaalsContact C-N 3.29Å; K86-L88 PolarHBondContact O-N 2.82Å
87	L	93.8	Very high	91.7	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.052	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-50.5	129.3	175.9	-170.6	68.7	0	0	0	110.5	F74 M84 T123	F74-L87 HydrophobicContact CB-CD1 3.56Å; F74-L87 HydrophobicContact CD2-CD1 3.51Å; F74-L87 HydrophobicContact CE2-CD1 4.43Å; F74-L87 HydrophobicContact CG-CD1 3.66Å; M84-L87 WeakPolarHBondContact O-CB 3.29Å; L87-T123 HydrophobicContact CD2-CG2 3.5Å
88	L	91.5	Very high	91.8	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.226	C	C	.	.			trans	-74.2	124	171.4	-171.3	71.3	0	0	0	108.3	L57 C75 R77 K86 I92 L98	L57-L88 HydrophobicContact CD2-CD2 3.39Å; C75-L88 HydrophobicContact CB-CB 3.8Å; C75-L88 HydrophobicContact CB-CD2 3.75Å; C75-L88 HydrophobicContact CB-CG 4.44Å; C75-L88 WeakPolarHBondContact O-CB 3.27Å; C75-L88 PolarHBondContact O-N 3.08Å; R77-L88 HydrophobicContact CG-CB 4.48Å; R77-L88 HydrophobicContact CG-CD1 3.65Å; K86-L88 PolarHBondContact O-N 2.82Å; L88-I92 HydrophobicContact CD1-CB 4.29Å; L88-I92 HydrophobicContact CD1-CD1 3.99Å; L88-I92 HydrophobicContact CD1-CG1 3.76Å; L88-I92 HydrophobicContact CD1-CG2 4.17Å; L88-I92 HydrophobicContact CD2-CD1 3.98Å; L88-I92 HydrophobicContact CG-CD1 4.44Å; L88-L98 HydrophobicContact CD1-CD2 4.04Å; L88-L98 HydrophobicContact CD2-CD1 4.43Å; L88-L98 HydrophobicContact CD2-CD2 4.21Å
89	T	83.4	Confident	92	Very high	32 Å²	32	43.6 Å²	43.6	20%	0.196	22%	0.215	C	C	.	.			trans	-104.6	-126.6	175.5	59.7	0	0	0	0	109.4	N257	T89-N257 HydrophobicContact CG2-CB 4.27Å
90	Y	83.8	Confident	92.1	Very high	17 Å²	17	42.5 Å²	42.5	7%	0.067	21%	0.209	C	C	.	.	S	Bend	trans	-98.4	3.6	179.3	63.1	-77.9	0	0	0	112.6	R221 F222 N257 E258 F261	Y90-R221 HydrophobicContact CD2-CG 3.5Å; Y90-R221 VanDerWaalsContact CD2-CG 3.5Å; Y90-R221 HydrophobicContact CE2-CG 3.63Å; Y90-F222 VanDerWaalsContact O-CD2 3.26Å; Y90-F222 WeakPolarHBondContact O-CD2 3.43Å; Y90-F222 PolarHBondContact O-N 2.83Å; Y90-N257 HydrophobicContact CD1-CB 4.37Å; Y90-N257 HydrophobicContact CE1-CB 3.57Å; Y90-N257 PolarHBondContact OH-O 3.45Å; Y90-E258 HydrophobicContact CD1-CB 3.59Å; Y90-E258 HydrophobicContact CD1-CG 4.25Å; Y90-E258 HydrophobicContact CD2-CG 4.39Å; Y90-E258 HydrophobicContact CE1-CB 3.84Å; Y90-E258 HydrophobicContact CG-CB 4.03Å; Y90-E258 HydrophobicContact CG-CG 4.2Å; Y90-F261 WeakPolarHBondContact OH-CB 3.15Å
91	E	89.2	Confident	92.4	Very high	28 Å²	28	38.2 Å²	38.2	13%	0.131	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134	-177.2	-172.9	171.7	153.9	0	0	110.7	T219 I220 R221	E91-T219 VanDerWaalsContact CD-OG1 3.3Å; E91-T219 HydrophobicContact CG-CG2 4.08Å; E91-T219 WeakPolarHBondContact OE1-CB 3.32Å; E91-T219 VanDerWaalsContact OE1-CG2 3.29Å; E91-T219 WeakPolarHBondContact OE1-CG2 3.29Å; E91-T219 PolarHBondContact OE1-OG1 2.85Å; E91-I220 CarbonylContact C-O 3.53Å; E91-I220 VanDerWaalsContact CA-O 3.29Å; E91-I220 WeakPolarHBondContact CA-O 3.46Å; E91-R221 IonicContact OE1-NH2 3.63Å; E91-R221 IonicContact OE2-CZ 3.71Å; E91-R221 IonicContact OE2-NE 3.06Å; E91-R221 PolarHBondContact OE2-NE 2.87Å; E91-R221 VanDerWaalsContact OE2-NE 3.12Å; E91-R221 IonicContact OE2-NH2 3.59Å; E91-R221 PolarHBondContact OE2-NH2 3.1Å
92	I	90.5	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.1	-176.5	-40.4	-159.6	0	0	0	109.3	F35 F51 L57 L88 D96 L98 T219 I220 F222	F35-I92 HydrophobicContact CD1-CG2 3.83Å; F35-I92 HydrophobicContact CE1-CB 4.23Å; F35-I92 HydrophobicContact CE1-CG2 3.48Å; F35-I92 VanDerWaalsContact CE1-CG2 3.48Å; F35-I92 HydrophobicContact CZ-CB 4.32Å; F35-I92 HydrophobicContact CZ-CG2 4.02Å; F51-I92 HydrophobicContact CE2-CD1 4.27Å; L57-I92 HydrophobicContact CD2-CD1 3.93Å; L88-I92 HydrophobicContact CD1-CB 4.29Å; L88-I92 HydrophobicContact CD1-CD1 3.99Å; L88-I92 HydrophobicContact CD1-CG1 3.76Å; L88-I92 HydrophobicContact CD1-CG2 4.17Å; L88-I92 HydrophobicContact CD2-CD1 3.98Å; L88-I92 HydrophobicContact CG-CD1 4.44Å; I92-D96 HydrophobicContact CG2-CB 4.15Å; I92-L98 HydrophobicContact CD1-CD1 4.39Å; I92-L98 HydrophobicContact CG2-CD2 4.03Å; I92-T219 CarbonylContact O-C 3.53Å; I92-T219 WeakPolarHBondContact O-CA 3.24Å; I92-T219 WeakPolarHBondContact O-CB 3.28Å; I92-I220 HydrophobicContact CB-CG1 3.98Å; I92-I220 HydrophobicContact CG1-CG1 4.5Å; I92-I220 PolarHBondContact N-O 3.42Å; I92-I220 PolarHBondContact O-N 3.48Å; I92-F222 HydrophobicContact CD1-CE2 3.84Å; I92-F222 HydrophobicContact CD1-CZ 3.49Å; I92-F222 VanDerWaalsContact CD1-CZ 3.49Å; I92-F222 HydrophobicContact CG1-CE2 3.91Å; I92-F222 HydrophobicContact CG1-CZ 3.77Å
93	G	91	Very high	92.8	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.6	171.1	0	0	0	0	0	110.5	F35 N95 D96	F35-G93 WeakPolarHBondContact CE1-O 3.47Å; G93-N95 PolarHBondContact O-N 2.66Å; G93-D96 WeakPolarHBondContact CA-OD2 3.49Å; G93-D96 PolarHBondContact N-OD2 2.85Å; G93-D96 VanDerWaalsContact O-CB 3.27Å; G93-D96 WeakPolarHBondContact O-CB 3.3Å; G93-D96 PolarHBondContact O-N 3.48Å
94	L	88.4	Confident	92.9	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.236	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-22	-175.3	-70.6	-175.4	0	0	0	115.1	Y33 R218 I220 E230	Y33-L94 HydrophobicContact CD1-CD2 3.45Å; Y33-L94 VanDerWaalsContact CD1-CD2 3.45Å; Y33-L94 HydrophobicContact CE1-CD2 3.4Å; Y33-L94 VanDerWaalsContact CE1-CD2 3.4Å; Y33-L94 HydrophobicContact CG-CD2 4.48Å; L94-R218 HydrophobicContact CD1-CB 3.74Å; L94-R218 HydrophobicContact CG-CB 4.28Å; L94-R218 PolarHBondContact N-O 3.39Å; L94-R218 VanDerWaalsContact N-O 3.15Å; L94-I220 HydrophobicContact CD2-CG2 3.57Å; L94-E230 WeakPolarHBondContact CD1-OE1 3.17Å
95	N	88.2	Confident	92.8	Very high	112 Å²	112	35 Å²	35	60%	0.599	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	15.2	179.6	-61.8	-44.3	0	0	0	112.5	G93	G93-N95 PolarHBondContact O-N 2.66Å
96	D	93.6	Very high	93.1	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.053	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.5	137.5	179.4	-75.6	-17.8	0	0	0	110.9	R77 N78 I92 G93 L98	R77-D96 WeakPolarHBondContact CD-OD2 3.41Å; N78-D96 PolarHBondContact ND2-OD1 2.87Å; N78-D96 WeakPolarHBondContact OD1-CA 3.46Å; I92-D96 HydrophobicContact CG2-CB 4.15Å; G93-D96 WeakPolarHBondContact CA-OD2 3.49Å; G93-D96 PolarHBondContact N-OD2 2.85Å; G93-D96 VanDerWaalsContact O-CB 3.27Å; G93-D96 WeakPolarHBondContact O-CB 3.3Å; G93-D96 PolarHBondContact O-N 3.48Å; D96-L98 HydrophobicContact CB-CD2 4.29Å
97	F	95.9	Very high	93.2	Very high	42 Å²	42	29.5 Å²	29.5	18%	0.184	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-91.3	127.1	164.1	-159.4	-65.5	0	0	0	108.5	F36 Q38 T45 N78 F99	F36-F97 HydrophobicContact CB-CD2 3.58Å; F36-F97 HydrophobicContact CB-CE1 4.48Å; F36-F97 HydrophobicContact CB-CE2 3.46Å; F36-F97 VanDerWaalsContact CB-CE2 3.46Å; F36-F97 HydrophobicContact CB-CG 4.17Å; F36-F97 HydrophobicContact CB-CZ 3.95Å; F36-F97 HydrophobicContact CG-CD2 4.48Å; F36-F97 HydrophobicContact CG-CE2 4.3Å; Q38-F97 HydrophobicContact CB-CE1 4.03Å; Q38-F97 HydrophobicContact CG-CE1 3.75Å; Q38-F97 HydrophobicContact CG-CZ 3.8Å; T45-F97 HydrophobicContact CG2-CE2 3.97Å; T45-F97 HydrophobicContact CG2-CZ 3.65Å; N78-F97 PolarHBondContact N-O 2.85Å; N78-F97 PolarHBondContact OD1-N 3.4Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 AromaticContact CD1-CD2 3.97Å; F97-F99 HydrophobicContact CD1-CD2 3.97Å; F97-F99 HydrophobicContact CD1-CE1 4.12Å; F97-F99 AromaticContact CD1-CE2 3.39Å; F97-F99 HydrophobicContact CD1-CE2 3.39Å; F97-F99 AromaticContact CD1-CZ 3.48Å; F97-F99 HydrophobicContact CD1-CZ 3.48Å; F97-F99 VanDerWaalsContact CD1-CZ 3.48Å; F97-F99 AromaticContact CE1-CE1 3.95Å; F97-F99 HydrophobicContact CE1-CE1 3.95Å; F97-F99 HydrophobicContact CE1-CE2 4.07Å; F97-F99 AromaticContact CE1-CZ 3.7Å; F97-F99 HydrophobicContact CE1-CZ 3.7Å; F97-F99 HydrophobicContact CG-CE2 4.06Å; F97-F99 HydrophobicContact CG-CZ 4.25Å
98	L	96.8	Very high	93.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.7	-176.9	-55.7	-176.8	0	0	0	111.5	F35 F36 C37 Q38 L57 R77 L88 I92 D96	F35-L98 HydrophobicContact CB-CD1 4.01Å; F35-L98 HydrophobicContact CB-CG 4.31Å; F35-L98 HydrophobicContact CG-CD1 4.4Å; F36-L98 PolarHBondContact O-N 2.65Å; C37-L98 CarbonylContact C-O 3.55Å; C37-L98 WeakPolarHBondContact CA-O 3.49Å; C37-L98 HydrophobicContact CB-CB 4.22Å; C37-L98 PolarHBondContact SG-O 2.98Å; C37-L98 VanDerWaalsContact SG-O 3.4Å; Q38-L98 PolarHBondContact N-O 3.1Å; L57-L98 HydrophobicContact CD1-CD1 4Å; L57-L98 HydrophobicContact CD2-CD1 4.49Å; R77-L98 HydrophobicContact CG-CD2 4.32Å; L88-L98 HydrophobicContact CD1-CD2 4.04Å; L88-L98 HydrophobicContact CD2-CD1 4.43Å; L88-L98 HydrophobicContact CD2-CD2 4.21Å; I92-L98 HydrophobicContact CD1-CD1 4.39Å; I92-L98 HydrophobicContact CG2-CD2 4.03Å; D96-L98 HydrophobicContact CB-CD2 4.29Å
99	F	97.5	Very high	93.6	Very high	19 Å²	19	35.1 Å²	35.1	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.9	173.3	-67	-91.2	0	0	0	109.6	Q38 A40 C75 T76 T79 H80 F97 H101	Q38-F99 HydrophobicContact CB-CD1 3.99Å; Q38-F99 HydrophobicContact CB-CE1 4.05Å; Q38-F99 CarbonylContact O-C 3.56Å; Q38-F99 VanDerWaalsContact O-CA 3.29Å; Q38-F99 WeakPolarHBondContact O-CA 3.47Å; A40-F99 HydrophobicContact CB-CB 4.27Å; C75-F99 CarbonylContact C-O 3.54Å; C75-F99 WeakPolarHBondContact CA-O 3.43Å; T76-F99 PolarHBondContact N-O 3.5Å; T76-F99 PolarHBondContact O-N 3.31Å; T79-F99 WeakPolarHBondContact O-CB 3.22Å; T79-F99 WeakPolarHBondContact O-CD2 3.29Å; T79-F99 WeakPolarHBondContact O-CG 3.17Å; H80-F99 HydrophobicContact CB-CD1 3.48Å; H80-F99 VanDerWaalsContact CB-CD1 3.48Å; H80-F99 HydrophobicContact CB-CE1 3.71Å; H80-F99 HydrophobicContact CB-CG 4.09Å; H80-F99 HydrophobicContact CB-CZ 4.49Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 AromaticContact CD1-CD2 3.97Å; F97-F99 HydrophobicContact CD1-CD2 3.97Å; F97-F99 HydrophobicContact CD1-CE1 4.12Å; F97-F99 AromaticContact CD1-CE2 3.39Å; F97-F99 HydrophobicContact CD1-CE2 3.39Å; F97-F99 AromaticContact CD1-CZ 3.48Å; F97-F99 HydrophobicContact CD1-CZ 3.48Å; F97-F99 VanDerWaalsContact CD1-CZ 3.48Å; F97-F99 AromaticContact CE1-CE1 3.95Å; F97-F99 HydrophobicContact CE1-CE1 3.95Å; F97-F99 HydrophobicContact CE1-CE2 4.07Å; F97-F99 AromaticContact CE1-CZ 3.7Å; F97-F99 HydrophobicContact CE1-CZ 3.7Å; F97-F99 HydrophobicContact CG-CE2 4.06Å; F97-F99 HydrophobicContact CG-CZ 4.25Å; F99-H101 PolarHBondContact O-CD2 3.15Å
100	A	98	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.1	-179.6	0	0	0	0	0	110.6	Q38 L39 A40 I61	Q38-A100 PolarHBondContact O-N 3.46Å; L39-A100 HydrophobicContact CD2-CB 4.19Å; A40-A100 WeakPolarHBondContact CB-O 3.4Å; A40-A100 PolarHBondContact N-O 2.79Å; I61-A100 HydrophobicContact CD1-CB 4.48Å; I61-A100 HydrophobicContact CG2-CB 3.72Å
101	H	97.9	Very high	95	Very high	5 Å²	5	41 Å²	41	2%	0.023	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.4	174.5	-65.8	-103.6	0	0	0	108.6	A40 M73 F74 T76 H80 F99 P194	A40-H101 HydrophobicContact CB-CB 4.48Å; A40-H101 WeakPolarHBondContact CB-CE1 3.4Å; A40-H101 WeakPolarHBondContact CB-ND1 3.33Å; M73-H101 WeakPolarHBondContact CB-O 3.47Å; M73-H101 PolarHBondContact N-O 3.44Å; F74-H101 HydrophobicContact CD1-CB 4.42Å; F74-H101 HydrophobicContact CD2-CB 4.01Å; F74-H101 AromaticContact CD2-CD2 3.76Å; F74-H101 AromaticContact CD2-CG 3.97Å; F74-H101 HydrophobicContact CE1-CB 4.05Å; F74-H101 HydrophobicContact CE2-CB 3.59Å; F74-H101 AromaticContact CE2-CD2 3.32Å; F74-H101 WeakPolarHBondContact CE2-CD2 3.32Å; F74-H101 AromaticContact CE2-CG 3.29Å; F74-H101 AromaticContact CE2-ND1 3.84Å; F74-H101 AromaticContact CE2-NE2 3.87Å; F74-H101 HydrophobicContact CG-CB 4.38Å; F74-H101 HydrophobicContact CZ-CB 3.6Å; F74-H101 AromaticContact CZ-CG 3.61Å; F74-H101 AromaticContact CZ-ND1 3.94Å; F74-H101 PolarHBondContact N-O 2.82Å; F74-H101 PolarHBondContact O-N 3.19Å; T76-H101 WeakPolarHBondContact CG2-NE2 3.17Å; T76-H101 PolarHBondContact OG1-NE2 3.25Å; H80-H101 PolarHBondContact O-CE1 2.88Å; F99-H101 PolarHBondContact O-CD2 3.15Å; H101-P194 HydrophobicContact CB-CB 4.07Å
102	I	97.6	Very high	95.4	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.072	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	160.6	-179.7	69.8	165.7	0	0	0	111.8	L39 H41 I67 Q71 I72 G104 P194 E195	L39-I102 HydrophobicContact CD2-CG2 4.25Å; H41-I102 WeakPolarHBondContact CE1-CD1 3.29Å; I67-I102 HydrophobicContact CD1-CG2 3.77Å; Q71-I102 HydrophobicContact CB-CB 4.38Å; Q71-I102 CarbonylContact O-C 3.53Å; Q71-I102 WeakPolarHBondContact O-CA 3.43Å; Q71-I102 WeakPolarHBondContact O-CB 3.33Å; I72-I102 HydrophobicContact CG1-CG2 4.41Å; I102-G104 PolarHBondContact O-N 3Å; I102-P194 CarbonylContact O-C 3.57Å; I102-P194 VanDerWaalsContact O-CA 3.32Å; I102-P194 WeakPolarHBondContact O-CA 3.34Å; I102-E195 VanDerWaalsContact CD1-OE2 3.29Å; I102-E195 WeakPolarHBondContact CD1-OE2 3.23Å; I102-E195 HydrophobicContact CG1-CB 4.1Å; I102-E195 WeakPolarHBondContact CG1-OE2 3.24Å; I102-E195 PolarHBondContact O-N 3.11Å
103	K	97.6	Very high	95.7	Very high	34 Å²	34	47 Å²	47	15%	0.148	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	121.9	177.6	-72.5	177	175	164.6	0	111	S70 Q71 M73 I192	S70-K103 VanDerWaalsContact O-CE 3.24Å; S70-K103 WeakPolarHBondContact O-CE 3.14Å; S70-K103 PolarHBondContact O-NZ 2.99Å; Q71-K103 PolarHBondContact O-N 2.96Å; M73-K103 HydrophobicContact CG-CB 4.43Å; M73-K103 HydrophobicContact CG-CG 3.62Å; M73-K103 VanDerWaalsContact SD-CA 3.57Å; M73-K103 HydrophobicContact SD-CB 4.44Å; M73-K103 HydrophobicContact SD-CG 4.09Å; K103-I192 HydrophobicContact CB-CG2 3.88Å; K103-I192 HydrophobicContact CD-CD1 4.13Å; K103-I192 HydrophobicContact CG-CG2 3.97Å
104	G	96.3	Very high	95.9	Very high	27 Å²	27	51.2 Å²	51.2	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-122.2	169.3	0	0	0	0	0	110.6	I102 P106 S193	I102-G104 PolarHBondContact O-N 3Å; G104-P106 WeakPolarHBondContact O-CD 3.45Å; G104-S193 CarbonylContact C-O 3.53Å; G104-S193 VanDerWaalsContact CA-O 3.26Å; G104-S193 WeakPolarHBondContact CA-O 3.21Å; G104-S193 PolarHBondContact N-O 3.44Å
105	Q	93.4	Very high	96.2	Very high	129 Å²	129	52.7 Å²	52.7	60%	0.603	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.3	-168.5	-171.6	176.5	6	0	0	112.9	S193	Q105-S193 PolarHBondContact O-N 3.46Å
106	P	97.2	Very high	96.3	Very high	65 Å²	65	52.1 Å²	52.1	42%	0.422	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	149.1	169.2	31.9	-34	0	0	0	111.6	G104 L191 I192	G104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-L191 CarbonylContact C-O 3.59Å; P106-L191 WeakPolarHBondContact CA-O 3.3Å; P106-I192 HydrophobicContact CB-CG1 4.37Å
107	K	96.1	Very high	96.3	Very high	15 Å²	15	57.7 Å²	57.7	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.9	-177.5	-58.7	174.9	-174.8	168	0	109.9	F151 D156 R190 L191 S193	K107-F151 HydrophobicContact CB-CD1 4.15Å; K107-F151 HydrophobicContact CB-CE1 3.54Å; K107-F151 HydrophobicContact CB-CZ 4.02Å; K107-F151 HydrophobicContact CD-CD1 3.91Å; K107-F151 HydrophobicContact CD-CD2 4.23Å; K107-F151 HydrophobicContact CD-CE1 3.78Å; K107-F151 HydrophobicContact CD-CE2 4.08Å; K107-F151 HydrophobicContact CD-CG 4.14Å; K107-F151 HydrophobicContact CD-CZ 3.85Å; K107-F151 WeakPolarHBondContact CD-O 3.42Å; K107-F151 HydrophobicContact CG-CD1 4.29Å; K107-F151 HydrophobicContact CG-CE1 3.66Å; K107-F151 HydrophobicContact CG-CE2 4.27Å; K107-F151 HydrophobicContact CG-CZ 3.63Å; K107-F151 PolarHBondContact NZ-O 2.56Å; K107-D156 IonicContact NZ-OD1 2.8Å; K107-D156 IonicContact NZ-OD2 3.87Å; K107-R190 CarbonylContact O-C 3.48Å; K107-R190 WeakPolarHBondContact O-CA 3.36Å; K107-L191 HydrophobicContact CB-CB 4.33Å; K107-L191 PolarHBondContact N-O 3.09Å; K107-L191 PolarHBondContact O-N 3.33Å; K107-S193 WeakPolarHBondContact CE-OG 3.43Å; K107-S193 PolarHBondContact NZ-OG 3.29Å
108	E	97.2	Very high	96.3	Very high	112 Å²	112	56.3 Å²	56.3	52%	0.523	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.7	171.3	-74.8	-177.1	-169	0	0	110.2	L189 R190	E108-L189 WeakPolarHBondContact CA-O 3.41Å; E108-R190 HydrophobicContact CG-CB 3.89Å; E108-R190 HydrophobicContact CG-CG 3.73Å; E108-R190 VanDerWaalsContact OE1-CD 3.29Å; E108-R190 WeakPolarHBondContact OE1-CD 3.27Å; E108-R190 IonicContact OE1-CZ 3.97Å; E108-R190 IonicContact OE1-NE 2.63Å; E108-R190 IonicContact OE1-NH1 3.68Å; E108-R190 PolarHBondContact OE1-NH1 3.37Å
109	I	96.5	Very high	96.3	Very high	28 Å²	28	57.1 Å²	57.1	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.4	179.1	-173.6	162.7	0	0	0	110.4	I111 C148 I152 L189	I109-I111 HydrophobicContact CG1-CG1 4.13Å; I109-I111 HydrophobicContact CG2-CD1 3.96Å; I109-I111 HydrophobicContact CG2-CG1 4.14Å; I109-C148 HydrophobicContact CD1-CB 3.64Å; I109-I152 HydrophobicContact CD1-CD1 4.33Å; I109-I152 HydrophobicContact CG2-CD1 4.03Å; I109-I152 HydrophobicContact CG2-CG1 4.34Å; I109-L189 HydrophobicContact CG2-CB 4.01Å; I109-L189 PolarHBondContact N-O 2.79Å; I109-L189 PolarHBondContact O-N 3.25Å
110	K	97.8	Very high	96.3	Very high	167 Å²	167	56.7 Å²	56.7	73%	0.726	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.6	172	-70.7	-177.4	179.6	178.4	0	109.3	V186 F187 C188	K110-V186 HydrophobicContact CB-CG1 4.06Å; K110-F187 WeakPolarHBondContact CA-O 3.47Å; K110-C188 HydrophobicContact CG-CB 4.4Å
111	I	97.7	Very high	96.3	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.5	-175.1	-58.1	172	0	0	0	108	I109 F140 M141 V144 I152 V186 F187 L189	I109-I111 HydrophobicContact CG1-CG1 4.13Å; I109-I111 HydrophobicContact CG2-CD1 3.96Å; I109-I111 HydrophobicContact CG2-CG1 4.14Å; I111-F140 HydrophobicContact CG2-CE1 4.15Å; I111-F140 HydrophobicContact CG2-CZ 3.59Å; I111-M141 HydrophobicContact CD1-CE 3.78Å; I111-M141 HydrophobicContact CD1-SD 4.23Å; I111-V144 HydrophobicContact CD1-CG1 4.03Å; I111-V144 HydrophobicContact CG1-CG1 4.04Å; I111-V144 HydrophobicContact CG2-CG1 4.34Å; I111-V144 HydrophobicContact CG2-CG2 4.22Å; I111-I152 HydrophobicContact CD1-CD1 3.97Å; I111-V186 CarbonylContact O-C 3.57Å; I111-V186 VanDerWaalsContact O-CA 3.31Å; I111-V186 WeakPolarHBondContact O-CA 3.33Å; I111-F187 HydrophobicContact CB-CD1 4.46Å; I111-F187 HydrophobicContact CB-CE1 3.83Å; I111-F187 HydrophobicContact CB-CE2 4.01Å; I111-F187 HydrophobicContact CB-CZ 3.56Å; I111-F187 HydrophobicContact CD1-CE2 3.99Å; I111-F187 HydrophobicContact CD1-CZ 3.97Å; I111-F187 HydrophobicContact CG1-CE2 4.46Å; I111-F187 HydrophobicContact CG1-CZ 4.34Å; I111-F187 HydrophobicContact CG2-CE1 3.8Å; I111-F187 HydrophobicContact CG2-CZ 3.64Å; I111-F187 PolarHBondContact N-O 2.89Å; I111-F187 WeakPolarHBondContact O-CD1 3.29Å; I111-F187 PolarHBondContact O-N 3.31Å; I111-L189 HydrophobicContact CD1-CB 4.17Å; I111-L189 HydrophobicContact CD1-CD2 3.98Å
112	R	97.7	Very high	96.3	Very high	150 Å²	150	56.8 Å²	56.8	57%	0.566	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.9	167.5	-172.4	174.1	-60.5	-83.6	2.6	108.7	T114 F140 T184 D185 V186	R112-T114 HydrophobicContact CG-CG2 4.44Å; R112-T114 PolarHBondContact O-N 3.18Å; R112-F140 VanDerWaalsContact O-CZ 3.26Å; R112-F140 WeakPolarHBondContact O-CZ 3.12Å; R112-T184 WeakPolarHBondContact CG-O 3.3Å; R112-T184 PolarHBondContact NH1-O 3.03Å; R112-D185 CarbonylContact C-O 3.57Å; R112-D185 WeakPolarHBondContact CA-O 3.26Å; R112-V186 HydrophobicContact CB-CG2 4.08Å; R112-V186 HydrophobicContact CG-CG2 4.2Å; R112-V186 VanDerWaalsContact CZ-CG2 3.46Å
113	K	97.5	Very high	96.3	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.013	29%	0.289	C	S	.	.			trans	-68.4	121.7	175.2	-175	176.6	175.2	175.9	0	109.2	N115 F118 L178 Q179 I181 T184 D185 F187	K113-N115 WeakPolarHBondContact CE-O 3.29Å; K113-N115 WeakPolarHBondContact CG-O 3.36Å; K113-F118 HydrophobicContact CD-CE2 3.91Å; K113-F118 HydrophobicContact CD-CZ 3.97Å; K113-F118 HydrophobicContact CG-CE2 4.35Å; K113-F118 HydrophobicContact CG-CZ 4.23Å; K113-L178 PolarHBondContact NZ-O 3.38Å; K113-Q179 PolarHBondContact NZ-O 3.47Å; K113-I181 HydrophobicContact CB-CG2 4.36Å; K113-I181 HydrophobicContact CD-CB 4.13Å; K113-I181 HydrophobicContact CD-CG2 4.06Å; K113-I181 WeakPolarHBondContact CD-O 3.19Å; K113-I181 WeakPolarHBondContact CE-O 3.47Å; K113-I181 PolarHBondContact NZ-O 3.12Å; K113-T184 WeakPolarHBondContact O-CA 3.33Å; K113-T184 PolarHBondContact O-N 3.49Å; K113-D185 PolarHBondContact N-O 3.14Å; K113-F187 HydrophobicContact CB-CE1 4.18Å
114	T	95.8	Very high	96.1	Very high	93 Å²	93	55.6 Å²	55.6	57%	0.571	29%	0.286	S	S	*	.			trans	-121.2	-2.9	178.3	63.5	0	0	0	0	113.4	R112 F140	R112-T114 HydrophobicContact CG-CG2 4.44Å; R112-T114 PolarHBondContact O-N 3.18Å; T114-F140 WeakPolarHBondContact OG1-CD2 3.31Å; T114-F140 VanDerWaalsContact OG1-CE2 3.28Å; T114-F140 WeakPolarHBondContact OG1-CE2 3.16Å
115	N	94.7	Very high	95.8	Very high	76 Å²	76	55 Å²	55	41%	0.406	28%	0.276	S	S	.	.			trans	-144.1	150.6	-179.5	-161.9	-30.3	0	0	0	109.3	K113 L117 F140	K113-N115 WeakPolarHBondContact CE-O 3.29Å; K113-N115 WeakPolarHBondContact CG-O 3.36Å; N115-L117 PolarHBondContact OD1-N 3.29Å; N115-F140 HydrophobicContact CB-CB 4.02Å; N115-F140 HydrophobicContact CB-CG 4.25Å
116	D	89.9	Confident	95.5	Very high	100 Å²	100	51 Å²	51	54%	0.535	27%	0.27	S	S	.	.	S	Bend	trans	-69.4	-40.9	173.9	-72.9	-37.7	0	0	0	111.7	I183	D116-I183 WeakPolarHBondContact OD1-CD1 3.29Å
117	L	92.9	Very high	95.1	Very high	126 Å²	126	48.6 Å²	48.6	66%	0.66	25%	0.254	S	S	*	.			trans	-89.9	115.9	178.8	-61.9	179.9	0	0	0	110.1	N115	N115-L117 PolarHBondContact OD1-N 3.29Å
118	F	96.1	Very high	94.8	Very high	14 Å²	14	48.1 Å²	48.1	6%	0.061	25%	0.253	C	S	.	.			trans	-71	-37.4	177.5	-80.6	-112.9	0	0	0	112.1	K113 L120 F140 M141 L178 F187	K113-F118 HydrophobicContact CD-CE2 3.91Å; K113-F118 HydrophobicContact CD-CZ 3.97Å; K113-F118 HydrophobicContact CG-CE2 4.35Å; K113-F118 HydrophobicContact CG-CZ 4.23Å; F118-L120 VanDerWaalsContact C-N 3.35Å; F118-L120 HydrophobicContact CB-CG 4.32Å; F118-F140 HydrophobicContact CD1-CD1 4.17Å; F118-F140 HydrophobicContact CD1-CE1 4.14Å; F118-F140 HydrophobicContact CE1-CE1 4.13Å; F118-F140 HydrophobicContact CG-CD1 4.32Å; F118-M141 HydrophobicContact CB-CG 3.89Å; F118-M141 HydrophobicContact CD1-CG 3.75Å; F118-M141 HydrophobicContact CD1-SD 3.84Å; F118-M141 HydrophobicContact CE1-SD 4.4Å; F118-M141 HydrophobicContact CG-CG 4.27Å; F118-M141 VanDerWaalsContact O-CB 3.29Å; F118-M141 WeakPolarHBondContact O-CB 3.44Å; F118-M141 VanDerWaalsContact O-CG 3.24Å; F118-M141 WeakPolarHBondContact O-CG 3.17Å; F118-M141 PolarHBondContact O-N 2.63Å; F118-L178 HydrophobicContact CD1-CD2 4.35Å; F118-L178 HydrophobicContact CD2-CB 4.39Å; F118-L178 HydrophobicContact CE1-CB 4.21Å; F118-L178 HydrophobicContact CE1-CD2 3.72Å; F118-L178 HydrophobicContact CE1-CG 4.42Å; F118-L178 HydrophobicContact CE2-CB 4.04Å; F118-L178 WeakPolarHBondContact CE2-O 3.36Å; F118-L178 HydrophobicContact CZ-CB 3.95Å; F118-L178 HydrophobicContact CZ-CD2 4.05Å; F118-L178 WeakPolarHBondContact CZ-O 3.39Å; F118-F187 HydrophobicContact CE1-CE1 4.03Å; F118-F187 HydrophobicContact CE1-CE2 4.43Å; F118-F187 AromaticContact CE1-CZ 3.59Å; F118-F187 HydrophobicContact CE1-CZ 3.59Å; F118-F187 HydrophobicContact CZ-CE1 4.18Å; F118-F187 HydrophobicContact CZ-CZ 4.17Å
119	G	96.4	Very high	94.7	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	23%	0.232	C	C	.	.			trans	72.4	29.3	-170.5	0	0	0	0	0	113.2	I135 K136	G119-I135 CarbonylContact O-C 3.58Å; G119-I135 WeakPolarHBondContact O-CA 3.35Å; G119-K136 PolarHBondContact O-N 2.9Å
120	L	98.2	Very high	94.8	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.7	165.6	-61.7	175.7	0	0	0	108.7	F118 L122 I132 I135 M141 L178	F118-L120 VanDerWaalsContact C-N 3.35Å; F118-L120 HydrophobicContact CB-CG 4.32Å; L120-L122 HydrophobicContact CB-CD2 4.08Å; L120-L122 HydrophobicContact CB-CG 4.49Å; L120-L122 HydrophobicContact CD1-CD2 4.41Å; L120-I132 HydrophobicContact CD2-CD1 4.43Å; L120-I132 HydrophobicContact CD2-CG2 4.01Å; L120-I135 HydrophobicContact CD2-CB 4.47Å; L120-I135 HydrophobicContact CD2-CD1 4.33Å; L120-I135 HydrophobicContact CD2-CG1 3.81Å; L120-I135 HydrophobicContact CD2-CG2 4.31Å; L120-M141 HydrophobicContact CD1-CE 4.3Å; L120-M141 HydrophobicContact CD1-CG 4.01Å; L120-M141 HydrophobicContact CD2-CB 3.63Å; L120-M141 HydrophobicContact CD2-CG 3.99Å; L120-M141 HydrophobicContact CG-CB 3.92Å; L120-M141 HydrophobicContact CG-CG 3.74Å; L120-L178 HydrophobicContact CD1-CD1 4.31Å
121	T	98	Very high	94.8	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.7	163.6	-53.4	0	0	0	0	107.4	K133 R134 D249 E255	T121-K133 HydrophobicContact CG2-CB 4.29Å; T121-K133 WeakPolarHBondContact O-CA 3.4Å; T121-K133 WeakPolarHBondContact O-CB 3.38Å; T121-K133 PolarHBondContact O-N 2.77Å; T121-R134 PolarHBondContact N-O 3.29Å; T121-R134 PolarHBondContact O-N 3.22Å; T121-D249 WeakPolarHBondContact CA-OD1 3.45Å; T121-D249 WeakPolarHBondContact CB-OD1 3.39Å; T121-D249 HydrophobicContact CG2-CB 4.43Å; T121-D249 WeakPolarHBondContact CG2-OD1 3.48Å; T121-D249 PolarHBondContact OG1-OD1 3.19Å; T121-D249 PolarHBondContact OG1-OD2 2.89Å; T121-E255 HydrophobicContact CG2-CB 4.14Å; T121-E255 HydrophobicContact CG2-CG 3.57Å
122	L	98.1	Very high	94.8	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	150.4	178.6	-57	-174.9	0	0	0	111.5	L120 V130 I132 I158 H171 V174 A175 L178 G253 F254 E255	L120-L122 HydrophobicContact CB-CD2 4.08Å; L120-L122 HydrophobicContact CB-CG 4.49Å; L120-L122 HydrophobicContact CD1-CD2 4.41Å; L122-V130 HydrophobicContact CB-CG1 4.31Å; L122-V130 HydrophobicContact CD1-CG1 4.41Å; L122-I132 HydrophobicContact CD2-CG1 4.1Å; L122-I158 HydrophobicContact CD1-CD1 4.19Å; L122-I158 HydrophobicContact CD2-CD1 3.6Å; L122-H171 HydrophobicContact CB-CB 4.09Å; L122-V174 HydrophobicContact CD1-CB 3.91Å; L122-V174 HydrophobicContact CD1-CG1 3.56Å; L122-A175 HydrophobicContact CD1-CB 4.17Å; L122-L178 HydrophobicContact CD1-CD1 4.13Å; L122-G253 PolarHBondContact N-O 2.84Å; L122-F254 HydrophobicContact CB-CB 4.29Å; L122-F254 CarbonylContact O-C 3.56Å; L122-F254 WeakPolarHBondContact O-CA 3.38Å; L122-F254 VanDerWaalsContact O-CB 3.24Å; L122-F254 WeakPolarHBondContact O-CB 3.23Å; L122-E255 PolarHBondContact O-N 2.96Å
123	T	96.1	Very high	94.8	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	171.3	169.4	-162.1	0	0	0	0	109.1	L87 V130 I131 K133 E255	L87-T123 HydrophobicContact CD2-CG2 3.5Å; T123-V130 CarbonylContact O-C 3.51Å; T123-V130 WeakPolarHBondContact O-CA 3.32Å; T123-I131 HydrophobicContact CG2-CB 4.48Å; T123-I131 PolarHBondContact N-O 2.72Å; T123-I131 PolarHBondContact O-N 3.36Å; T123-K133 HydrophobicContact CG2-CB 3.92Å; T123-K133 HydrophobicContact CG2-CD 4.31Å; T123-K133 HydrophobicContact CG2-CG 4.29Å; T123-E255 WeakPolarHBondContact CB-O 3.29Å; T123-E255 PolarHBondContact OG1-O 3.08Å
124	D	94.1	Very high	94.8	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.8	172.8	75	77.4	0	0	0	112.3	G126 I129 V130 R170 H171	D124-G126 VanDerWaalsContact C-N 3.28Å; D124-G126 PolarHBondContact O-N 3.41Å; D124-G126 WeakPolarHBondContact OD1-CA 3.26Å; D124-G126 PolarHBondContact OD1-N 2.94Å; D124-I129 VanDerWaalsContact CA-O 3.23Å; D124-I129 WeakPolarHBondContact CA-O 3.35Å; D124-I129 VanDerWaalsContact CB-O 3.26Å; D124-I129 WeakPolarHBondContact CB-O 3.44Å; D124-V130 HydrophobicContact CB-CG2 4.11Å; D124-R170 IonicContact OD1-CZ 3.36Å; D124-R170 IonicContact OD1-NE 3.37Å; D124-R170 PolarHBondContact OD1-NE 3.12Å; D124-R170 IonicContact OD1-NH2 3.13Å; D124-R170 PolarHBondContact OD1-NH2 2.78Å; D124-R170 WeakPolarHBondContact OD2-CA 3.42Å; D124-R170 IonicContact OD2-CZ 3.88Å; D124-R170 IonicContact OD2-NE 3.12Å; D124-R170 PolarHBondContact OD2-NE 2.82Å; D124-R170 IonicContact OD2-NH2 3.68Å; D124-R170 PolarHBondContact OD2-NH2 3.28Å; D124-R170 VanDerWaalsContact OD2-NH2 3.11Å; D124-H171 HydrophobicContact CB-CB 4.31Å; D124-H171 IonicContact OD2-CE1 2.8Å; D124-H171 PolarHBondContact OD2-CE1 3.11Å; D124-H171 IonicContact OD2-CG 2.59Å; D124-H171 PolarHBondContact OD2-N 2.84Å; D124-H171 IonicContact OD2-ND1 3.1Å; D124-H171 PolarHBondContact OD2-ND1 3.31Å
125	N	90	Very high	94.9	Very high	15 Å²	15	29 Å²	29	8%	0.08	16%	0.162	C	C	.	.			trans	-87.1	13.5	-175.2	72.6	-11.8	0	0	0	114.1	V54 M73 C127 G128 I129 I131	V54-N125 WeakPolarHBondContact CG1-O 3.26Å; M73-N125 WeakPolarHBondContact O-CB 3.24Å; M73-N125 PolarHBondContact O-ND2 2.97Å; N125-C127 PolarHBondContact O-N 3.16Å; N125-C127 VanDerWaalsContact OD1-CA 3.28Å; N125-C127 WeakPolarHBondContact OD1-CA 3.46Å; N125-C127 WeakPolarHBondContact OD1-CB 3.38Å; N125-C127 PolarHBondContact OD1-N 2.93Å; N125-G128 PolarHBondContact OD1-N 2.82Å; N125-I129 PolarHBondContact N-O 3.21Å; N125-I129 VanDerWaalsContact N-O 3.13Å; N125-I129 WeakPolarHBondContact ND2-CB 3.49Å; N125-I129 PolarHBondContact OD1-N 2.95Å; N125-I129 PolarHBondContact OD1-O 2.93Å; N125-I131 HydrophobicContact CB-CD1 4.46Å
126	G	86.7	Confident	95.1	Very high	45 Å²	45	31.4 Å²	31.4	46%	0.464	17%	0.169	S	C	.	.	S	Bend	trans	66.5	-4.6	-173.1	0	0	0	0	0	114.6	D124	D124-G126 VanDerWaalsContact C-N 3.28Å; D124-G126 PolarHBondContact O-N 3.41Å; D124-G126 WeakPolarHBondContact OD1-CA 3.26Å; D124-G126 PolarHBondContact OD1-N 2.94Å
127	C	89.6	Confident	95.4	Very high	13 Å²	13	31.9 Å²	31.9	9%	0.088	18%	0.178	C	C	.	.	S	Bend	trans	-112.3	8.8	-176.6	-66.5	0	0	0	0	113.1	R55 N125	R55-C127 PolarHBondContact NH1-O 3.33Å; R55-C127 PolarHBondContact NH2-O 3.17Å; R55-C127 VanDerWaalsContact NH2-O 3.13Å; N125-C127 PolarHBondContact O-N 3.16Å; N125-C127 VanDerWaalsContact OD1-CA 3.28Å; N125-C127 WeakPolarHBondContact OD1-CA 3.46Å; N125-C127 WeakPolarHBondContact OD1-CB 3.38Å; N125-C127 PolarHBondContact OD1-N 2.93Å
128	G	90.2	Very high	95.6	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	17%	0.17	C	C	.	.	S	Bend	trans	90.2	21.9	176.8	0	0	0	0	0	114.7	N125 G168	N125-G128 PolarHBondContact OD1-N 2.82Å; G128-G168 PolarHBondContact O-N 2.84Å
129	I	95.4	Very high	95.6	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.077	17%	0.172	C	C	.	.			trans	-112.9	115.3	172	-55.8	-64	0	0	0	108.5	D124 N125 I131 Q157	D124-I129 VanDerWaalsContact CA-O 3.23Å; D124-I129 WeakPolarHBondContact CA-O 3.35Å; D124-I129 VanDerWaalsContact CB-O 3.26Å; D124-I129 WeakPolarHBondContact CB-O 3.44Å; N125-I129 PolarHBondContact N-O 3.21Å; N125-I129 VanDerWaalsContact N-O 3.13Å; N125-I129 WeakPolarHBondContact ND2-CB 3.49Å; N125-I129 PolarHBondContact OD1-N 2.95Å; N125-I129 PolarHBondContact OD1-O 2.93Å; I129-I131 HydrophobicContact CG2-CD1 4.48Å; I129-I131 HydrophobicContact CG2-CG1 4.11Å; I129-Q157 HydrophobicContact CG2-CB 4.02Å; I129-Q157 HydrophobicContact CG2-CG 3.69Å
130	V	97.7	Very high	95.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.8	176.8	-178.7	0	0	0	0	109.6	L122 T123 D124 Q157 I158 R169 H171 V174	L122-V130 HydrophobicContact CB-CG1 4.31Å; L122-V130 HydrophobicContact CD1-CG1 4.41Å; T123-V130 CarbonylContact O-C 3.51Å; T123-V130 WeakPolarHBondContact O-CA 3.32Å; D124-V130 HydrophobicContact CB-CG2 4.11Å; V130-Q157 CarbonylContact O-C 3.14Å; V130-Q157 VanDerWaalsContact O-CA 3.29Å; V130-Q157 WeakPolarHBondContact O-CA 3.44Å; V130-I158 PolarHBondContact O-N 3.03Å; V130-R169 WeakPolarHBondContact CG2-O 3.48Å; V130-H171 HydrophobicContact CG1-CB 4.03Å; V130-V174 HydrophobicContact CB-CG2 3.95Å; V130-V174 HydrophobicContact CG1-CB 4.1Å; V130-V174 HydrophobicContact CG1-CG1 4.42Å; V130-V174 HydrophobicContact CG1-CG2 3.86Å; V130-V174 HydrophobicContact CG2-CG2 3.73Å
131	I	97.6	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.8	-171.2	-59	147.2	0	0	0	109.3	F74 M84 T123 N125 I129 K133 D156	F74-I131 HydrophobicContact CB-CD1 3.7Å; F74-I131 HydrophobicContact CD1-CD1 3.43Å; F74-I131 VanDerWaalsContact CD1-CD1 3.43Å; F74-I131 HydrophobicContact CD1-CG1 4.03Å; F74-I131 HydrophobicContact CD1-CG2 4.39Å; F74-I131 HydrophobicContact CE1-CD1 4.41Å; F74-I131 HydrophobicContact CE1-CG2 4.36Å; F74-I131 HydrophobicContact CG-CD1 3.88Å; M84-I131 HydrophobicContact SD-CG2 4.37Å; T123-I131 HydrophobicContact CG2-CB 4.48Å; T123-I131 PolarHBondContact N-O 2.72Å; T123-I131 PolarHBondContact O-N 3.36Å; N125-I131 HydrophobicContact CB-CD1 4.46Å; I129-I131 HydrophobicContact CG2-CD1 4.48Å; I129-I131 HydrophobicContact CG2-CG1 4.11Å; I131-K133 PolarHBondContact O-N 3.27Å; I131-D156 WeakPolarHBondContact CA-O 3.28Å
132	I	98.5	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	105.8	167.4	-60.5	176	0	0	0	107.5	L120 L122 I135 I152 P154 G155 D156 I158 L191	L120-I132 HydrophobicContact CD2-CD1 4.43Å; L120-I132 HydrophobicContact CD2-CG2 4.01Å; L122-I132 HydrophobicContact CD2-CG1 4.1Å; I132-I135 HydrophobicContact CG2-CD1 4.33Å; I132-I135 HydrophobicContact CG2-CG1 3.79Å; I132-I152 HydrophobicContact CD1-CG2 3.68Å; I132-P154 CarbonylContact O-C 3.57Å; I132-P154 VanDerWaalsContact O-CA 3.27Å; I132-P154 WeakPolarHBondContact O-CA 3.29Å; I132-G155 PolarHBondContact O-N 2.88Å; I132-D156 HydrophobicContact CD1-CB 4.34Å; I132-D156 PolarHBondContact N-O 2.91Å; I132-I158 HydrophobicContact CD1-CD1 4.46Å; I132-I158 HydrophobicContact CD1-CG1 4.33Å; I132-I158 HydrophobicContact CG1-CD1 3.98Å; I132-I158 HydrophobicContact CG1-CG1 4.02Å; I132-L191 HydrophobicContact CD1-CD2 4.16Å
133	K	97.9	Very high	95.6	Very high	16 Å²	16	35.3 Å²	35.3	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-44	177.5	-167.3	-176.9	179.9	175.1	0	111.2	M84 T121 T123 I131 E255	M84-K133 HydrophobicContact CB-CG 3.97Å; M84-K133 WeakPolarHBondContact CB-O 3.4Å; M84-K133 WeakPolarHBondContact CG-O 3.47Å; M84-K133 WeakPolarHBondContact O-CE 3.46Å; T121-K133 HydrophobicContact CG2-CB 4.29Å; T121-K133 WeakPolarHBondContact O-CA 3.4Å; T121-K133 WeakPolarHBondContact O-CB 3.38Å; T121-K133 PolarHBondContact O-N 2.77Å; T123-K133 HydrophobicContact CG2-CB 3.92Å; T123-K133 HydrophobicContact CG2-CD 4.31Å; T123-K133 HydrophobicContact CG2-CG 4.29Å; I131-K133 PolarHBondContact O-N 3.27Å; K133-E255 HydrophobicContact CD-CB 4.48Å; K133-E255 WeakPolarHBondContact CE-OE2 3.44Å; K133-E255 IonicContact NZ-OE2 3.92Å; K133-E255 PolarHBondContact NZ-OE2 2.85Å
134	R	97.8	Very high	95.7	Very high	102 Å²	102	36.2 Å²	36.2	39%	0.385	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.9	-178.8	-58.5	178	175.7	161.7	-9.3	111.2	D85 T121 E255	D85-R134 IonicContact OD1-CZ 2.79Å; D85-R134 IonicContact OD1-NE 3.85Å; D85-R134 IonicContact OD1-NH2 2.6Å; D85-R134 PolarHBondContact OD1-NH2 2.87Å; T121-R134 PolarHBondContact N-O 3.29Å; T121-R134 PolarHBondContact O-N 3.22Å; R134-E255 IonicContact CZ-OE1 3.37Å; R134-E255 IonicContact NH1-OE1 2.78Å; R134-E255 PolarHBondContact NH1-OE1 2.62Å
135	I	98.2	Very high	95.8	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.128	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.3	168.2	-51.7	-178	0	0	0	106.6	G119 L120 I132 P137 M141 D142 I152 P154	G119-I135 CarbonylContact O-C 3.58Å; G119-I135 WeakPolarHBondContact O-CA 3.35Å; L120-I135 HydrophobicContact CD2-CB 4.47Å; L120-I135 HydrophobicContact CD2-CD1 4.33Å; L120-I135 HydrophobicContact CD2-CG1 3.81Å; L120-I135 HydrophobicContact CD2-CG2 4.31Å; I132-I135 HydrophobicContact CG2-CD1 4.33Å; I132-I135 HydrophobicContact CG2-CG1 3.79Å; I135-P137 WeakPolarHBondContact O-CD 3.36Å; I135-M141 HydrophobicContact CG2-CB 4.25Å; I135-D142 HydrophobicContact CG2-CB 3.88Å; I135-I152 HydrophobicContact CD1-CG2 4.1Å; I135-I152 WeakPolarHBondContact CD1-O 3.31Å; I135-P154 HydrophobicContact CG1-CG 4.45Å
136	K	97.4	Very high	96.2	Very high	126 Å²	126	40.7 Å²	40.7	55%	0.548	22%	0.222	S	C	.	.			trans	-66.3	123.7	-176.6	-178.4	172.6	-175.7	168.9	0	109.9	G119 G138 S139 D142	G119-K136 PolarHBondContact O-N 2.9Å; K136-G138 PolarHBondContact O-N 3.4Å; K136-S139 WeakPolarHBondContact O-CB 3.37Å; K136-S139 PolarHBondContact O-N 3.27Å; K136-S139 VanDerWaalsContact O-N 3.12Å; K136-S139 PolarHBondContact O-OG 2.76Å; K136-D142 WeakPolarHBondContact O-CB 3.45Å
137	P	96.9	Very high	96.7	Very high	110 Å²	110	42.9 Å²	42.9	71%	0.714	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	137.4	178.5	-27.3	35.5	0	0	0	112.6	I135 S139	I135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-S139 PolarHBondContact O-N 2.78Å
138	G	96.3	Very high	96.9	Very high	48 Å²	48	44.3 Å²	44.3	50%	0.495	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	-3.1	-179	0	0	0	0	0	115.2	K136 D142 K143	K136-G138 PolarHBondContact O-N 3.4Å; G138-D142 PolarHBondContact N-OD2 2.78Å; G138-K143 VanDerWaalsContact O-CE 3.32Å; G138-K143 WeakPolarHBondContact O-CE 3.28Å
139	S	96.9	Very high	97.1	Very high	17 Å²	17	47 Å²	47	12%	0.119	27%	0.274	C	S	.	.	S	Bend	trans	-72.1	175.5	178	71.8	0	0	0	0	113.4	K136 P137 D142 K143	K136-S139 WeakPolarHBondContact O-CB 3.37Å; K136-S139 PolarHBondContact O-N 3.27Å; K136-S139 VanDerWaalsContact O-N 3.12Å; K136-S139 PolarHBondContact O-OG 2.76Å; P137-S139 PolarHBondContact O-N 2.78Å; S139-D142 PolarHBondContact O-N 2.99Å; S139-D142 PolarHBondContact OG-N 3.25Å; S139-K143 WeakPolarHBondContact O-CG 3.36Å; S139-K143 PolarHBondContact O-N 2.95Å; S139-K143 VanDerWaalsContact O-N 3.15Å
140	F	97.1	Very high	97	Very high	18 Å²	18	50.2 Å²	50.2	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-51.9	175.6	169.3	-124.5	0	0	0	111.7	I111 R112 T114 N115 F118 D142 K143 V144	I111-F140 HydrophobicContact CG2-CE1 4.15Å; I111-F140 HydrophobicContact CG2-CZ 3.59Å; R112-F140 VanDerWaalsContact O-CZ 3.26Å; R112-F140 WeakPolarHBondContact O-CZ 3.12Å; T114-F140 WeakPolarHBondContact OG1-CD2 3.31Å; T114-F140 VanDerWaalsContact OG1-CE2 3.28Å; T114-F140 WeakPolarHBondContact OG1-CE2 3.16Å; N115-F140 HydrophobicContact CB-CB 4.02Å; N115-F140 HydrophobicContact CB-CG 4.25Å; F118-F140 HydrophobicContact CD1-CD1 4.17Å; F118-F140 HydrophobicContact CD1-CE1 4.14Å; F118-F140 HydrophobicContact CE1-CE1 4.13Å; F118-F140 HydrophobicContact CG-CD1 4.32Å; F140-D142 PolarHBondContact O-N 2.75Å; F140-K143 PolarHBondContact O-N 3.44Å; F140-V144 HydrophobicContact CD2-CG2 4.04Å; F140-V144 HydrophobicContact CE2-CG2 3.6Å; F140-V144 HydrophobicContact CZ-CG2 3.91Å; F140-V144 WeakPolarHBondContact O-CG2 3.5Å; F140-V144 PolarHBondContact O-N 3.45Å
141	M	97.7	Very high	96.7	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-74.4	-25.2	-176.8	-69.5	-61.2	-58.7	0	0	113.5	I111 F118 L120 I135 V144 S145 I152 L189	I111-M141 HydrophobicContact CD1-CE 3.78Å; I111-M141 HydrophobicContact CD1-SD 4.23Å; F118-M141 HydrophobicContact CB-CG 3.89Å; F118-M141 HydrophobicContact CD1-CG 3.75Å; F118-M141 HydrophobicContact CD1-SD 3.84Å; F118-M141 HydrophobicContact CE1-SD 4.4Å; F118-M141 HydrophobicContact CG-CG 4.27Å; F118-M141 VanDerWaalsContact O-CB 3.29Å; F118-M141 WeakPolarHBondContact O-CB 3.44Å; F118-M141 VanDerWaalsContact O-CG 3.24Å; F118-M141 WeakPolarHBondContact O-CG 3.17Å; F118-M141 PolarHBondContact O-N 2.63Å; L120-M141 HydrophobicContact CD1-CE 4.3Å; L120-M141 HydrophobicContact CD1-CG 4.01Å; L120-M141 HydrophobicContact CD2-CB 3.63Å; L120-M141 HydrophobicContact CD2-CG 3.99Å; L120-M141 HydrophobicContact CG-CB 3.92Å; L120-M141 HydrophobicContact CG-CG 3.74Å; I135-M141 HydrophobicContact CG2-CB 4.25Å; M141-V144 HydrophobicContact CE-CG1 4.5Å; M141-V144 PolarHBondContact O-N 3.17Å; M141-V144 HydrophobicContact SD-CB 4.43Å; M141-V144 HydrophobicContact SD-CG2 4.46Å; M141-S145 VanDerWaalsContact O-CB 3.29Å; M141-S145 WeakPolarHBondContact O-CB 3.37Å; M141-S145 PolarHBondContact O-N 3.02Å; M141-I152 HydrophobicContact CE-CD1 3.57Å; M141-I152 HydrophobicContact CE-CG2 4.39Å; M141-L189 HydrophobicContact CE-CD2 4.36Å
142	D	98.1	Very high	96.7	Very high	22 Å²	22	53.9 Å²	53.9	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-45.2	169	177.3	58.6	0	0	0	111.3	I135 K136 G138 S139 F140 S145 K146	I135-D142 HydrophobicContact CG2-CB 3.88Å; K136-D142 WeakPolarHBondContact O-CB 3.45Å; G138-D142 PolarHBondContact N-OD2 2.78Å; S139-D142 PolarHBondContact O-N 2.99Å; S139-D142 PolarHBondContact OG-N 3.25Å; F140-D142 PolarHBondContact O-N 2.75Å; D142-S145 PolarHBondContact O-N 3.26Å; D142-K146 VanDerWaalsContact CG-NZ 3.28Å; D142-K146 WeakPolarHBondContact O-CG 3.44Å; D142-K146 PolarHBondContact O-N 2.95Å; D142-K146 WeakPolarHBondContact OD1-CE 3.09Å; D142-K146 IonicContact OD1-NZ 3.12Å; D142-K146 PolarHBondContact OD1-NZ 3.03Å; D142-K146 IonicContact OD2-NZ 3.96Å; D142-K146 PolarHBondContact OD2-NZ 2.59Å
143	K	97.9	Very high	96.6	Very high	139 Å²	139	56.4 Å²	56.4	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-65	-42.2	176.7	-67.5	172.9	-174.1	176.9	0	111.9	G138 S139 F140 A147	G138-K143 VanDerWaalsContact O-CE 3.32Å; G138-K143 WeakPolarHBondContact O-CE 3.28Å; S139-K143 WeakPolarHBondContact O-CG 3.36Å; S139-K143 PolarHBondContact O-N 2.95Å; S139-K143 VanDerWaalsContact O-N 3.15Å; F140-K143 PolarHBondContact O-N 3.44Å; K143-A147 VanDerWaalsContact O-CB 3.24Å; K143-A147 WeakPolarHBondContact O-CB 3.01Å; K143-A147 PolarHBondContact O-N 3.1Å
144	V	97.3	Very high	96.6	Very high	27 Å²	27	58.1 Å²	58.1	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-46.4	175.7	172.8	0	0	0	0	110.5	I111 F140 M141 A147 C148 I152	I111-V144 HydrophobicContact CD1-CG1 4.03Å; I111-V144 HydrophobicContact CG1-CG1 4.04Å; I111-V144 HydrophobicContact CG2-CG1 4.34Å; I111-V144 HydrophobicContact CG2-CG2 4.22Å; F140-V144 HydrophobicContact CD2-CG2 4.04Å; F140-V144 HydrophobicContact CE2-CG2 3.6Å; F140-V144 HydrophobicContact CZ-CG2 3.91Å; F140-V144 WeakPolarHBondContact O-CG2 3.5Å; F140-V144 PolarHBondContact O-N 3.45Å; M141-V144 HydrophobicContact CE-CG1 4.5Å; M141-V144 PolarHBondContact O-N 3.17Å; M141-V144 HydrophobicContact SD-CB 4.43Å; M141-V144 HydrophobicContact SD-CG2 4.46Å; V144-A147 PolarHBondContact O-N 2.56Å; V144-C148 PolarHBondContact O-N 2.79Å; V144-C148 VanDerWaalsContact O-N 3.12Å; V144-C148 PolarHBondContact O-SG 3.31Å; V144-I152 HydrophobicContact CG1-CD1 3.95Å
145	S	97.4	Very high	96.5	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-59.1	-51	179	-176.1	0	0	0	0	111.8	M141 D142 A147 C148 G149 D150 I152	M141-S145 VanDerWaalsContact O-CB 3.29Å; M141-S145 WeakPolarHBondContact O-CB 3.37Å; M141-S145 PolarHBondContact O-N 3.02Å; D142-S145 PolarHBondContact O-N 3.26Å; S145-A147 VanDerWaalsContact C-N 3.33Å; S145-A147 PolarHBondContact O-N 3.3Å; S145-C148 CarbonylContact O-C 3.53Å; S145-C148 PolarHBondContact O-N 2.93Å; S145-C148 VanDerWaalsContact O-N 3.14Å; S145-C148 PolarHBondContact O-SG 2.83Å; S145-G149 PolarHBondContact O-N 3.33Å; S145-D150 VanDerWaalsContact O-CA 3.28Å; S145-D150 WeakPolarHBondContact O-CA 3.08Å; S145-D150 PolarHBondContact O-N 2.77Å; S145-D150 WeakPolarHBondContact OG-CA 3.18Å; S145-I152 WeakPolarHBondContact CB-O 3.41Å; S145-I152 PolarHBondContact OG-O 3.47Å
146	K	97.8	Very high	96.6	Very high	118 Å²	118	52.1 Å²	52.1	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-42.4	177.2	-73.3	168.8	178.3	161.5	0	112.4	D142 C148 G149	D142-K146 VanDerWaalsContact CG-NZ 3.28Å; D142-K146 WeakPolarHBondContact O-CG 3.44Å; D142-K146 PolarHBondContact O-N 2.95Å; D142-K146 WeakPolarHBondContact OD1-CE 3.09Å; D142-K146 IonicContact OD1-NZ 3.12Å; D142-K146 PolarHBondContact OD1-NZ 3.03Å; D142-K146 IonicContact OD2-NZ 3.96Å; D142-K146 PolarHBondContact OD2-NZ 2.59Å; K146-C148 PolarHBondContact O-N 3.3Å; K146-G149 PolarHBondContact O-N 2.88Å; K146-G149 VanDerWaalsContact O-N 3.08Å
147	A	96.4	Very high	96.6	Very high	91 Å²	91	46.1 Å²	46.1	75%	0.752	28%	0.281	S	S	*	.	H	α-helix	trans	-64.8	-25.5	179.7	0	0	0	0	0	113.3	K143 V144 S145	K143-A147 VanDerWaalsContact O-CB 3.24Å; K143-A147 WeakPolarHBondContact O-CB 3.01Å; K143-A147 PolarHBondContact O-N 3.1Å; V144-A147 PolarHBondContact O-N 2.56Å; S145-A147 VanDerWaalsContact C-N 3.33Å; S145-A147 PolarHBondContact O-N 3.3Å
148	C	94.4	Very high	96.7	Very high	43 Å²	43	40.9 Å²	40.9	29%	0.291	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	16.6	174.2	66.5	0	0	0	0	113.9	I109 V144 S145 K146 F151	I109-C148 HydrophobicContact CD1-CB 3.64Å; V144-C148 PolarHBondContact O-N 2.79Å; V144-C148 VanDerWaalsContact O-N 3.12Å; V144-C148 PolarHBondContact O-SG 3.31Å; S145-C148 CarbonylContact O-C 3.53Å; S145-C148 PolarHBondContact O-N 2.93Å; S145-C148 VanDerWaalsContact O-N 3.14Å; S145-C148 PolarHBondContact O-SG 2.83Å; K146-C148 PolarHBondContact O-N 3.3Å; C148-F151 HydrophobicContact CB-CB 4.13Å; C148-F151 WeakPolarHBondContact SG-CB 3.46Å
149	G	94.8	Very high	96.8	Very high	62 Å²	62	39.8 Å²	39.8	64%	0.639	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	41.2	178.4	0	0	0	0	0	113	S145 K146 F151	S145-G149 PolarHBondContact O-N 3.33Å; K146-G149 PolarHBondContact O-N 2.88Å; K146-G149 VanDerWaalsContact O-N 3.08Å; G149-F151 PolarHBondContact O-N 2.72Å
150	D	93.1	Very high	96.8	Very high	83 Å²	83	42.8 Å²	42.8	44%	0.444	24%	0.24	S	C	.	.	S	Bend	trans	56.7	36.1	-176.5	-59.5	-44.9	0	0	0	112.7	S145 I152 Q153	S145-D150 VanDerWaalsContact O-CA 3.28Å; S145-D150 WeakPolarHBondContact O-CA 3.08Å; S145-D150 PolarHBondContact O-N 2.77Å; S145-D150 WeakPolarHBondContact OG-CA 3.18Å; D150-I152 PolarHBondContact O-N 2.85Å; D150-Q153 VanDerWaalsContact O-CD 3.29Å; D150-Q153 WeakPolarHBondContact O-CG 3.35Å; D150-Q153 PolarHBondContact O-NE2 2.87Å
151	F	91.1	Very high	96.9	Very high	76 Å²	76	41.9 Å²	41.9	33%	0.333	24%	0.236	S	C	.	.			trans	-69.8	-22.6	-177.6	-150.4	-127.7	0	0	0	113	K107 C148 G149	K107-F151 HydrophobicContact CB-CD1 4.15Å; K107-F151 HydrophobicContact CB-CE1 3.54Å; K107-F151 HydrophobicContact CB-CZ 4.02Å; K107-F151 HydrophobicContact CD-CD1 3.91Å; K107-F151 HydrophobicContact CD-CD2 4.23Å; K107-F151 HydrophobicContact CD-CE1 3.78Å; K107-F151 HydrophobicContact CD-CE2 4.08Å; K107-F151 HydrophobicContact CD-CG 4.14Å; K107-F151 HydrophobicContact CD-CZ 3.85Å; K107-F151 WeakPolarHBondContact CD-O 3.42Å; K107-F151 HydrophobicContact CG-CD1 4.29Å; K107-F151 HydrophobicContact CG-CE1 3.66Å; K107-F151 HydrophobicContact CG-CE2 4.27Å; K107-F151 HydrophobicContact CG-CZ 3.63Å; K107-F151 PolarHBondContact NZ-O 2.56Å; C148-F151 HydrophobicContact CB-CB 4.13Å; C148-F151 WeakPolarHBondContact SG-CB 3.46Å; G149-F151 PolarHBondContact O-N 2.72Å
152	I	97.1	Very high	96.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.252	C	S	.	.	S	Bend	trans	-106.8	116.1	178.1	-53.6	176.1	0	0	0	108.4	I109 I111 I132 I135 M141 V144 S145 D150 L189 L191	I109-I152 HydrophobicContact CD1-CD1 4.33Å; I109-I152 HydrophobicContact CG2-CD1 4.03Å; I109-I152 HydrophobicContact CG2-CG1 4.34Å; I111-I152 HydrophobicContact CD1-CD1 3.97Å; I132-I152 HydrophobicContact CD1-CG2 3.68Å; I135-I152 HydrophobicContact CD1-CG2 4.1Å; I135-I152 WeakPolarHBondContact CD1-O 3.31Å; M141-I152 HydrophobicContact CE-CD1 3.57Å; M141-I152 HydrophobicContact CE-CG2 4.39Å; V144-I152 HydrophobicContact CG1-CD1 3.95Å; S145-I152 WeakPolarHBondContact CB-O 3.41Å; S145-I152 PolarHBondContact OG-O 3.47Å; D150-I152 PolarHBondContact O-N 2.85Å; I152-L189 HydrophobicContact CD1-CD2 4.49Å; I152-L191 HydrophobicContact CB-CD1 4.2Å; I152-L191 HydrophobicContact CG1-CD1 3.92Å; I152-L191 HydrophobicContact CG2-CD1 3.87Å
153	Q	96.5	Very high	96.7	Very high	54 Å²	54	51.7 Å²	51.7	25%	0.252	29%	0.289	S	S	.	.			trans	-132	155.9	-172	-59.7	-176.2	-6.3	0	0	112.1	D150 G155 D156	D150-Q153 VanDerWaalsContact O-CD 3.29Å; D150-Q153 WeakPolarHBondContact O-CG 3.35Å; D150-Q153 PolarHBondContact O-NE2 2.87Å; Q153-G155 PolarHBondContact O-N 2.6Å; Q153-D156 PolarHBondContact N-OD2 3Å; Q153-D156 VanDerWaalsContact O-CB 3.31Å; Q153-D156 WeakPolarHBondContact O-CB 3.23Å; Q153-D156 PolarHBondContact O-N 3.46Å; Q153-D156 VanDerWaalsContact O-N 3.13Å
154	P	97.7	Very high	96.7	Very high	52 Å²	52	48.8 Å²	48.8	34%	0.338	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	138.4	161.3	-27.5	36.8	0	0	0	111.4	L82 M84 I132 I135	L82-P154 WeakPolarHBondContact CD2-O 3.27Å; M84-P154 HydrophobicContact CG-CB 3.91Å; I132-P154 CarbonylContact O-C 3.57Å; I132-P154 VanDerWaalsContact O-CA 3.27Å; I132-P154 WeakPolarHBondContact O-CA 3.29Å; I135-P154 HydrophobicContact CG1-CG 4.45Å
155	G	97.4	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-15.7	-174.2	0	0	0	0	0	114.9	M73 F74 I132 Q153 Q157	M73-G155 WeakPolarHBondContact CE-O 3.39Å; F74-G155 WeakPolarHBondContact CE1-O 3.26Å; I132-G155 PolarHBondContact O-N 2.88Å; Q153-G155 PolarHBondContact O-N 2.6Å; G155-Q157 PolarHBondContact O-N 3.13Å
156	D	98.3	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.			trans	-66	130.2	174.6	-74.1	-20.6	0	0	0	110.5	K107 I131 I132 Q153 L191 S193	K107-D156 IonicContact NZ-OD1 2.8Å; K107-D156 IonicContact NZ-OD2 3.87Å; I131-D156 WeakPolarHBondContact CA-O 3.28Å; I132-D156 HydrophobicContact CD1-CB 4.34Å; I132-D156 PolarHBondContact N-O 2.91Å; Q153-D156 PolarHBondContact N-OD2 3Å; Q153-D156 VanDerWaalsContact O-CB 3.31Å; Q153-D156 WeakPolarHBondContact O-CB 3.23Å; Q153-D156 PolarHBondContact O-N 3.46Å; Q153-D156 VanDerWaalsContact O-N 3.13Å; D156-L191 HydrophobicContact CB-CB 4.32Å; D156-L191 HydrophobicContact CB-CD1 4.31Å; D156-L191 HydrophobicContact CB-CD2 4.47Å; D156-S193 VanDerWaalsContact OD1-CA 3.29Å; D156-S193 WeakPolarHBondContact OD1-CA 3.1Å; D156-S193 WeakPolarHBondContact OD1-CB 3.2Å; D156-S193 PolarHBondContact OD1-OG 3.49Å
157	Q	98.2	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	138	167.3	164.7	-178	-9.9	0	0	109.5	M73 I129 V130 G155 N167 L191 I192	M73-Q157 HydrophobicContact CE-CB 3.51Å; I129-Q157 HydrophobicContact CG2-CB 4.02Å; I129-Q157 HydrophobicContact CG2-CG 3.69Å; V130-Q157 CarbonylContact O-C 3.14Å; V130-Q157 VanDerWaalsContact O-CA 3.29Å; V130-Q157 WeakPolarHBondContact O-CA 3.44Å; G155-Q157 PolarHBondContact O-N 3.13Å; Q157-N167 PolarHBondContact NE2-OD1 2.76Å; Q157-L191 CarbonylContact O-C 3.51Å; Q157-L191 WeakPolarHBondContact O-CA 3.45Å; Q157-L191 WeakPolarHBondContact O-CD2 3.37Å; Q157-I192 HydrophobicContact CB-CB 4.34Å; Q157-I192 PolarHBondContact N-O 3.46Å; Q157-I192 PolarHBondContact O-N 2.98Å
158	I	98.5	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.5	162.9	-60.4	175.1	0	0	0	108.4	L122 V130 I132 I161 V174 L189 L191	L122-I158 HydrophobicContact CD1-CD1 4.19Å; L122-I158 HydrophobicContact CD2-CD1 3.6Å; V130-I158 PolarHBondContact O-N 3.03Å; I132-I158 HydrophobicContact CD1-CD1 4.46Å; I132-I158 HydrophobicContact CD1-CG1 4.33Å; I132-I158 HydrophobicContact CG1-CD1 3.98Å; I132-I158 HydrophobicContact CG1-CG1 4.02Å; I158-I161 HydrophobicContact CG2-CD1 4.29Å; I158-I161 HydrophobicContact CG2-CG1 4.05Å; I158-V174 HydrophobicContact CB-CG1 4.45Å; I158-V174 HydrophobicContact CD1-CG1 3.81Å; I158-V174 HydrophobicContact CG2-CG1 4.01Å; I158-L189 HydrophobicContact CG1-CD1 4.47Å; I158-L189 HydrophobicContact CG2-CD1 3.9Å; I158-L191 HydrophobicContact CB-CD2 4.37Å; I158-L191 HydrophobicContact CG1-CD2 3.73Å
159	E	98.2	Very high	96.4	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.117	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-47.2	179.9	-169.6	-176.3	-130.5	0	0	111.8	F166 N167 R190 I192	E159-F166 PolarHBondContact O-N 2.8Å; E159-N167 WeakPolarHBondContact CG-ND2 3.4Å; E159-N167 PolarHBondContact OE1-ND2 3.22Å; E159-R190 HydrophobicContact CB-CG 4.5Å; E159-R190 PolarHBondContact N-O 3.33Å; E159-R190 WeakPolarHBondContact OE2-CD 3.34Å; E159-R190 IonicContact OE2-CZ 2.75Å; E159-R190 IonicContact OE2-NE 3.05Å; E159-R190 PolarHBondContact OE2-NE 3.22Å; E159-R190 IonicContact OE2-NH2 3.64Å; E159-I192 HydrophobicContact CB-CD1 4.2Å; E159-I192 HydrophobicContact CB-CG1 4.34Å; E159-I192 HydrophobicContact CG-CD1 4.29Å
160	K	98.6	Very high	96.3	Very high	80 Å²	80	50.8 Å²	50.8	35%	0.348	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	-178.7	-49	-173.6	-179.4	174.6	0	112	I164 R190	K160-I164 WeakPolarHBondContact CA-O 3.48Å; K160-I164 WeakPolarHBondContact CB-O 3.42Å; K160-R190 HydrophobicContact CB-CB 3.9Å; K160-R190 HydrophobicContact CG-CB 4.42Å; K160-R190 PolarHBondContact N-O 2.96Å; K160-R190 PolarHBondContact O-N 3.03Å
161	I	98.6	Very high	96.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	164	-50.1	169.4	0	0	0	107.2	I158 N163 I164 F166 V174 Y177 L178 I181 F187 C188 L189	I158-I161 HydrophobicContact CG2-CD1 4.29Å; I158-I161 HydrophobicContact CG2-CG1 4.05Å; I161-N163 PolarHBondContact O-N 3.03Å; I161-I164 PolarHBondContact N-O 3.22Å; I161-I164 PolarHBondContact O-N 2.81Å; I161-F166 HydrophobicContact CB-CD2 4.49Å; I161-F166 HydrophobicContact CB-CE2 3.89Å; I161-F166 HydrophobicContact CD1-CD2 4.26Å; I161-F166 HydrophobicContact CD1-CE2 3.76Å; I161-F166 HydrophobicContact CD1-CZ 4.28Å; I161-F166 HydrophobicContact CG1-CD2 4.11Å; I161-F166 HydrophobicContact CG1-CE2 3.8Å; I161-V174 HydrophobicContact CD1-CG1 4.01Å; I161-Y177 HydrophobicContact CB-CD1 4.05Å; I161-Y177 HydrophobicContact CB-CE1 3.76Å; I161-Y177 HydrophobicContact CD1-CD1 3.76Å; I161-Y177 HydrophobicContact CD1-CE1 4.36Å; I161-Y177 HydrophobicContact CG1-CD1 4.5Å; I161-Y177 HydrophobicContact CG2-CD1 4.09Å; I161-Y177 HydrophobicContact CG2-CE1 3.61Å; I161-L178 HydrophobicContact CD1-CD2 3.56Å; I161-L178 HydrophobicContact CD1-CG 3.81Å; I161-I181 HydrophobicContact CG2-CD1 4.17Å; I161-F187 HydrophobicContact CG2-CB 4.26Å; I161-F187 HydrophobicContact CG2-CD2 3.77Å; I161-F187 HydrophobicContact CG2-CG 4.36Å; I161-C188 CarbonylContact C-O 3.46Å; I161-C188 VanDerWaalsContact CA-O 3.32Å; I161-C188 WeakPolarHBondContact CA-O 3.29Å; I161-L189 HydrophobicContact CG1-CD1 3.86Å
162	N	97.1	Very high	96.5	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-122.7	-165.5	-59.6	-40	0	0	0	110.2	F187 C188	N162-F187 WeakPolarHBondContact OD1-CA 3.49Å; N162-F187 WeakPolarHBondContact OD1-CB 3.42Å; N162-C188 PolarHBondContact N-O 3.41Å; N162-C188 PolarHBondContact OD1-N 2.88Å
163	N	94.7	Very high	96.4	Very high	167 Å²	167	45.6 Å²	45.6	89%	0.893	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	7.7	178.9	-64.9	-23.9	0	0	0	113	I161	I161-N163 PolarHBondContact O-N 3.03Å
164	I	97.7	Very high	96.4	Very high	78 Å²	78	43 Å²	43	40%	0.4	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120	-177.4	-60.3	178.3	0	0	0	109.4	K160 I161 F166 Y177	K160-I164 WeakPolarHBondContact CA-O 3.48Å; K160-I164 WeakPolarHBondContact CB-O 3.42Å; I161-I164 PolarHBondContact N-O 3.22Å; I161-I164 PolarHBondContact O-N 2.81Å; I164-F166 HydrophobicContact CB-CE2 4.2Å; I164-F166 HydrophobicContact CG2-CD2 4.37Å; I164-F166 HydrophobicContact CG2-CE2 3.82Å; I164-F166 HydrophobicContact CG2-CZ 3.97Å; I164-Y177 HydrophobicContact CD1-CD2 4.46Å; I164-Y177 HydrophobicContact CD1-CE2 3.51Å
165	S	97.6	Very high	96.3	Very high	55 Å²	55	40.9 Å²	40.9	39%	0.385	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	134.1	172	175.3	0	0	0	0	111.1	N167	S165-N167 PolarHBondContact OG-N 3.49Å
166	F	96.9	Very high	96.1	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.048	23%	0.227	C	C	.	.			trans	-106.7	3.3	174.3	-73.3	-85.8	0	0	0	113.5	E159 I161 I164 G168 R169 V174 Y177	E159-F166 PolarHBondContact O-N 2.8Å; I161-F166 HydrophobicContact CB-CD2 4.49Å; I161-F166 HydrophobicContact CB-CE2 3.89Å; I161-F166 HydrophobicContact CD1-CD2 4.26Å; I161-F166 HydrophobicContact CD1-CE2 3.76Å; I161-F166 HydrophobicContact CD1-CZ 4.28Å; I161-F166 HydrophobicContact CG1-CD2 4.11Å; I161-F166 HydrophobicContact CG1-CE2 3.8Å; I164-F166 HydrophobicContact CB-CE2 4.2Å; I164-F166 HydrophobicContact CG2-CD2 4.37Å; I164-F166 HydrophobicContact CG2-CE2 3.82Å; I164-F166 HydrophobicContact CG2-CZ 3.97Å; F166-G168 PolarHBondContact O-N 3.13Å; F166-R169 HydrophobicContact CB-CB 4.38Å; F166-R169 HydrophobicContact CB-CG 4.46Å; F166-R169 HydrophobicContact CD1-CB 4.05Å; F166-R169 HydrophobicContact CD1-CG 4Å; F166-R169 VanDerWaalsContact O-CB 3.27Å; F166-R169 WeakPolarHBondContact O-CB 3.35Å; F166-R169 PolarHBondContact O-N 3.02Å; F166-V174 HydrophobicContact CB-CG2 3.79Å; F166-V174 HydrophobicContact CD1-CB 4.33Å; F166-V174 HydrophobicContact CD1-CG2 3.36Å; F166-V174 HydrophobicContact CD2-CG2 4.44Å; F166-V174 HydrophobicContact CE1-CG2 4.01Å; F166-V174 HydrophobicContact CG-CG2 3.6Å; F166-Y177 HydrophobicContact CE1-CG 4.45Å; F166-Y177 HydrophobicContact CE2-CD1 4.15Å; F166-Y177 HydrophobicContact CE2-CG 4.36Å; F166-Y177 AromaticContact CZ-CD1 3.8Å; F166-Y177 HydrophobicContact CZ-CD1 3.8Å; F166-Y177 HydrophobicContact CZ-CD2 4.08Å; F166-Y177 HydrophobicContact CZ-CE1 4.49Å; F166-Y177 AromaticContact CZ-CG 3.56Å; F166-Y177 HydrophobicContact CZ-CG 3.56Å
167	N	94.8	Very high	96	Very high	60 Å²	60	45.2 Å²	45.2	32%	0.321	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	130.6	165	-72.4	-39.5	0	0	0	109.9	Q157 E159 S165 R169	Q157-N167 PolarHBondContact NE2-OD1 2.76Å; E159-N167 WeakPolarHBondContact CG-ND2 3.4Å; E159-N167 PolarHBondContact OE1-ND2 3.22Å; S165-N167 PolarHBondContact OG-N 3.49Å; N167-R169 VanDerWaalsContact C-N 3.28Å
168	G	92.9	Very high	95.9	Very high	64 Å²	64	45.6 Å²	45.6	66%	0.66	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.6	-175.7	0	0	0	0	0	114.6	G128 F166	G128-G168 PolarHBondContact O-N 2.84Å; F166-G168 PolarHBondContact O-N 3.13Å
169	R	94.2	Very high	95.6	Very high	133 Å²	133	50.1 Å²	50.1	50%	0.502	26%	0.261	S	S	.	.			trans	-97.3	161	176.2	-56.8	-65.7	-175	167.5	-1.6	111	V130 F166 N167 H173	V130-R169 WeakPolarHBondContact CG2-O 3.48Å; F166-R169 HydrophobicContact CB-CB 4.38Å; F166-R169 HydrophobicContact CB-CG 4.46Å; F166-R169 HydrophobicContact CD1-CB 4.05Å; F166-R169 HydrophobicContact CD1-CG 4Å; F166-R169 VanDerWaalsContact O-CB 3.27Å; F166-R169 WeakPolarHBondContact O-CB 3.35Å; F166-R169 PolarHBondContact O-N 3.02Å; N167-R169 VanDerWaalsContact C-N 3.28Å; R169-H173 HydrophobicContact CB-CB 4.19Å
170	R	93.8	Very high	95.5	Very high	65 Å²	65	52.6 Å²	52.6	25%	0.245	28%	0.281	C	S	.	.			trans	-90.6	159.5	174.6	-55	-59	-56	-71.3	-8.7	111.5	D124 Y172 H173 D256	D124-R170 IonicContact OD1-CZ 3.36Å; D124-R170 IonicContact OD1-NE 3.37Å; D124-R170 PolarHBondContact OD1-NE 3.12Å; D124-R170 IonicContact OD1-NH2 3.13Å; D124-R170 PolarHBondContact OD1-NH2 2.78Å; D124-R170 WeakPolarHBondContact OD2-CA 3.42Å; D124-R170 IonicContact OD2-CZ 3.88Å; D124-R170 IonicContact OD2-NE 3.12Å; D124-R170 PolarHBondContact OD2-NE 2.82Å; D124-R170 IonicContact OD2-NH2 3.68Å; D124-R170 PolarHBondContact OD2-NH2 3.28Å; D124-R170 VanDerWaalsContact OD2-NH2 3.11Å; R170-Y172 HydrophobicContact CB-CD1 3.67Å; R170-Y172 HydrophobicContact CB-CE1 3.24Å; R170-Y172 HydrophobicContact CB-CE2 4.18Å; R170-Y172 HydrophobicContact CB-CG 4.29Å; R170-Y172 HydrophobicContact CG-CE1 3.65Å; R170-Y172 WeakPolarHBondContact CG-OH 3.45Å; R170-Y172 PolarHBondContact O-N 2.96Å; R170-H173 PolarHBondContact N-ND1 3.13Å; R170-H173 WeakPolarHBondContact O-CB 3.22Å; R170-H173 PolarHBondContact O-N 2.93Å; R170-H173 VanDerWaalsContact O-N 3.08Å; R170-D256 IonicContact NH2-OD2 3.52Å; R170-D256 PolarHBondContact NH2-OD2 2.9Å; R170-D256 VanDerWaalsContact NH2-OD2 3.13Å
171	H	95.3	Very high	95.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-36.7	-178.3	56.1	-90	0	0	0	113.4	L122 D124 V130 H173 V174 A175 F254 D256	L122-H171 HydrophobicContact CB-CB 4.09Å; D124-H171 HydrophobicContact CB-CB 4.31Å; D124-H171 IonicContact OD2-CE1 2.8Å; D124-H171 PolarHBondContact OD2-CE1 3.11Å; D124-H171 IonicContact OD2-CG 2.59Å; D124-H171 PolarHBondContact OD2-N 2.84Å; D124-H171 IonicContact OD2-ND1 3.1Å; D124-H171 PolarHBondContact OD2-ND1 3.31Å; V130-H171 HydrophobicContact CG1-CB 4.03Å; H171-H173 VanDerWaalsContact C-N 3.29Å; H171-H173 PolarHBondContact O-N 3.4Å; H171-V174 PolarHBondContact O-N 2.78Å; H171-V174 VanDerWaalsContact O-N 3.15Å; H171-A175 PolarHBondContact O-N 3.35Å; H171-F254 HydrophobicContact CB-CB 4.41Å; H171-F254 WeakPolarHBondContact CD2-CB 3.37Å; H171-F254 AromaticContact CD2-CD1 3.84Å; H171-F254 AromaticContact CD2-CD2 3.23Å; H171-F254 WeakPolarHBondContact CD2-CD2 3.21Å; H171-F254 AromaticContact CD2-CE2 3.89Å; H171-F254 AromaticContact CD2-CG 3.21Å; H171-F254 WeakPolarHBondContact CD2-CG 3.44Å; H171-F254 AromaticContact NE2-CD2 3.29Å; H171-F254 VanDerWaalsContact NE2-CD2 3.29Å; H171-F254 WeakPolarHBondContact NE2-CD2 3.29Å; H171-F254 AromaticContact NE2-CE2 3.55Å; H171-F254 AromaticContact NE2-CG 3.79Å; H171-D256 IonicContact CE1-OD2 3.62Å; H171-D256 PolarHBondContact CE1-OD2 3.01Å; H171-D256 IonicContact NE2-OD2 3.98Å
172	Y	93.1	Very high	95.3	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-29	-178.7	56.5	-102.8	0	0	0	112.7	R170 S176 F254 D287 F288	R170-Y172 HydrophobicContact CB-CD1 3.67Å; R170-Y172 HydrophobicContact CB-CE1 3.24Å; R170-Y172 HydrophobicContact CB-CE2 4.18Å; R170-Y172 HydrophobicContact CB-CG 4.29Å; R170-Y172 HydrophobicContact CG-CE1 3.65Å; R170-Y172 WeakPolarHBondContact CG-OH 3.45Å; R170-Y172 PolarHBondContact O-N 2.96Å; Y172-S176 VanDerWaalsContact O-CB 3.28Å; Y172-S176 WeakPolarHBondContact O-CB 3.37Å; Y172-S176 PolarHBondContact O-N 2.91Å; Y172-F254 VanDerWaalsContact CB-CE1 3.49Å; Y172-D287 HydrophobicContact CE2-CB 4.3Å; Y172-D287 PolarHBondContact OH-OD2 3.39Å; Y172-F288 HydrophobicContact CD1-CD1 4.31Å; Y172-F288 AromaticContact CD1-CE1 3.72Å; Y172-F288 HydrophobicContact CD1-CE1 3.72Å; Y172-F288 AromaticContact CD2-CD1 3.75Å; Y172-F288 HydrophobicContact CD2-CD1 3.75Å; Y172-F288 AromaticContact CD2-CE1 3.97Å; Y172-F288 HydrophobicContact CD2-CE1 3.97Å; Y172-F288 HydrophobicContact CE1-CD1 4.46Å; Y172-F288 HydrophobicContact CE1-CE1 4.04Å; Y172-F288 AromaticContact CE2-CD1 3.91Å; Y172-F288 HydrophobicContact CE2-CD1 3.91Å; Y172-F288 HydrophobicContact CE2-CE1 4.27Å; Y172-F288 AromaticContact CG-CD1 3.97Å; Y172-F288 HydrophobicContact CG-CD1 3.97Å; Y172-F288 AromaticContact CG-CE1 3.69Å; Y172-F288 HydrophobicContact CG-CE1 3.69Å
173	H	94.6	Very high	95.3	Very high	32 Å²	32	53.4 Å²	53.4	15%	0.148	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-41.9	172.9	-65.3	111.3	0	0	0	111.4	R169 R170 H171 Y177 D287	R169-H173 HydrophobicContact CB-CB 4.19Å; R170-H173 PolarHBondContact N-ND1 3.13Å; R170-H173 WeakPolarHBondContact O-CB 3.22Å; R170-H173 PolarHBondContact O-N 2.93Å; R170-H173 VanDerWaalsContact O-N 3.08Å; H171-H173 VanDerWaalsContact C-N 3.29Å; H171-H173 PolarHBondContact O-N 3.4Å; H173-Y177 WeakPolarHBondContact O-CB 3.4Å; H173-Y177 PolarHBondContact O-N 3.06Å; H173-D287 IonicContact CE1-OD2 3.58Å
174	V	96.4	Very high	95.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-46.6	177	179.2	0	0	0	0	110.3	L122 V130 I158 I161 F166 H171 S176 Y177 L178	L122-V174 HydrophobicContact CD1-CB 3.91Å; L122-V174 HydrophobicContact CD1-CG1 3.56Å; V130-V174 HydrophobicContact CB-CG2 3.95Å; V130-V174 HydrophobicContact CG1-CB 4.1Å; V130-V174 HydrophobicContact CG1-CG1 4.42Å; V130-V174 HydrophobicContact CG1-CG2 3.86Å; V130-V174 HydrophobicContact CG2-CG2 3.73Å; I158-V174 HydrophobicContact CB-CG1 4.45Å; I158-V174 HydrophobicContact CD1-CG1 3.81Å; I158-V174 HydrophobicContact CG2-CG1 4.01Å; I161-V174 HydrophobicContact CD1-CG1 4.01Å; F166-V174 HydrophobicContact CB-CG2 3.79Å; F166-V174 HydrophobicContact CD1-CB 4.33Å; F166-V174 HydrophobicContact CD1-CG2 3.36Å; F166-V174 HydrophobicContact CD2-CG2 4.44Å; F166-V174 HydrophobicContact CE1-CG2 4.01Å; F166-V174 HydrophobicContact CG-CG2 3.6Å; H171-V174 PolarHBondContact O-N 2.78Å; H171-V174 VanDerWaalsContact O-N 3.15Å; V174-S176 PolarHBondContact O-N 3.02Å; V174-Y177 PolarHBondContact O-N 3Å; V174-L178 HydrophobicContact CG1-CD1 4.1Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 2.86Å
175	A	95.6	Very high	95.4	Very high	7 Å²	7	49.7 Å²	49.7	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-48	178.6	0	0	0	0	0	111.4	L122 H171 Y177 L178 Q179 L252 F254	L122-A175 HydrophobicContact CD1-CB 4.17Å; H171-A175 PolarHBondContact O-N 3.35Å; A175-Y177 VanDerWaalsContact C-N 3.33Å; A175-Y177 PolarHBondContact O-N 2.96Å; A175-L178 PolarHBondContact O-N 3.41Å; A175-Q179 WeakPolarHBondContact O-CG 3.49Å; A175-Q179 PolarHBondContact O-N 3.37Å; A175-L252 WeakPolarHBondContact CB-O 3.39Å; A175-F254 HydrophobicContact CB-CD1 4.11Å
176	S	93.1	Very high	95.4	Very high	35 Å²	35	50.3 Å²	50.3	25%	0.245	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-40	176.4	-178.9	0	0	0	0	112.4	Y8 Y172 V174 Q179 S180	Y8-S176 WeakPolarHBondContact OH-CB 3.42Å; Y8-S176 PolarHBondContact OH-OG 3.16Å; Y172-S176 VanDerWaalsContact O-CB 3.28Å; Y172-S176 WeakPolarHBondContact O-CB 3.37Å; Y172-S176 PolarHBondContact O-N 2.91Å; V174-S176 PolarHBondContact O-N 3.02Å; S176-Q179 PolarHBondContact O-N 3.46Å; S176-S180 PolarHBondContact O-N 2.96Å
177	Y	95.7	Very high	95.4	Very high	57 Å²	57	50 Å²	50	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-46.5	178.7	-174.3	-93.3	0	0	0	111.5	I161 I164 F166 H173 V174 A175 Q179 S180 I181	I161-Y177 HydrophobicContact CB-CD1 4.05Å; I161-Y177 HydrophobicContact CB-CE1 3.76Å; I161-Y177 HydrophobicContact CD1-CD1 3.76Å; I161-Y177 HydrophobicContact CD1-CE1 4.36Å; I161-Y177 HydrophobicContact CG1-CD1 4.5Å; I161-Y177 HydrophobicContact CG2-CD1 4.09Å; I161-Y177 HydrophobicContact CG2-CE1 3.61Å; I164-Y177 HydrophobicContact CD1-CD2 4.46Å; I164-Y177 HydrophobicContact CD1-CE2 3.51Å; F166-Y177 HydrophobicContact CE1-CG 4.45Å; F166-Y177 HydrophobicContact CE2-CD1 4.15Å; F166-Y177 HydrophobicContact CE2-CG 4.36Å; F166-Y177 AromaticContact CZ-CD1 3.8Å; F166-Y177 HydrophobicContact CZ-CD1 3.8Å; F166-Y177 HydrophobicContact CZ-CD2 4.08Å; F166-Y177 HydrophobicContact CZ-CE1 4.49Å; F166-Y177 AromaticContact CZ-CG 3.56Å; F166-Y177 HydrophobicContact CZ-CG 3.56Å; H173-Y177 WeakPolarHBondContact O-CB 3.4Å; H173-Y177 PolarHBondContact O-N 3.06Å; V174-Y177 PolarHBondContact O-N 3Å; A175-Y177 VanDerWaalsContact C-N 3.33Å; A175-Y177 PolarHBondContact O-N 2.96Å; Y177-Q179 VanDerWaalsContact C-N 3.28Å; Y177-Q179 PolarHBondContact O-N 2.91Å; Y177-S180 PolarHBondContact O-N 2.88Å; Y177-S180 PolarHBondContact O-OG 3.38Å; Y177-I181 HydrophobicContact CD1-CD1 4.31Å; Y177-I181 HydrophobicContact CE1-CD1 4.12Å; Y177-I181 HydrophobicContact CE1-CG1 4.26Å; Y177-I181 PolarHBondContact O-N 3.34Å
178	L	96.5	Very high	95.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-42.7	175.7	-71.8	171.7	0	0	0	111.8	K113 F118 L120 L122 I161 V174 A175 S180 I181 F187	K113-L178 PolarHBondContact NZ-O 3.38Å; F118-L178 HydrophobicContact CD1-CD2 4.35Å; F118-L178 HydrophobicContact CD2-CB 4.39Å; F118-L178 HydrophobicContact CE1-CB 4.21Å; F118-L178 HydrophobicContact CE1-CD2 3.72Å; F118-L178 HydrophobicContact CE1-CG 4.42Å; F118-L178 HydrophobicContact CE2-CB 4.04Å; F118-L178 WeakPolarHBondContact CE2-O 3.36Å; F118-L178 HydrophobicContact CZ-CB 3.95Å; F118-L178 HydrophobicContact CZ-CD2 4.05Å; F118-L178 WeakPolarHBondContact CZ-O 3.39Å; L120-L178 HydrophobicContact CD1-CD1 4.31Å; L122-L178 HydrophobicContact CD1-CD1 4.13Å; I161-L178 HydrophobicContact CD1-CD2 3.56Å; I161-L178 HydrophobicContact CD1-CG 3.81Å; V174-L178 HydrophobicContact CG1-CD1 4.1Å; V174-L178 HydrophobicContact CG1-CG 4.44Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 2.86Å; A175-L178 PolarHBondContact O-N 3.41Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 2.83Å; L178-I181 HydrophobicContact CD2-CD1 4.26Å; L178-I181 PolarHBondContact O-N 3.46Å; L178-F187 HydrophobicContact CD2-CE2 4.25Å
179	Q	93	Very high	95.9	Very high	95 Å²	95	45.5 Å²	45.5	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-38.8	175.6	-71.5	176	20.4	0	0	112.1	K113 A175 S176 Y177 I181 L252	K113-Q179 PolarHBondContact NZ-O 3.47Å; A175-Q179 WeakPolarHBondContact O-CG 3.49Å; A175-Q179 PolarHBondContact O-N 3.37Å; S176-Q179 PolarHBondContact O-N 3.46Å; Y177-Q179 VanDerWaalsContact C-N 3.28Å; Y177-Q179 PolarHBondContact O-N 2.91Å; Q179-I181 VanDerWaalsContact C-N 3.29Å; Q179-I181 PolarHBondContact O-N 3.07Å; Q179-L252 PolarHBondContact NE2-O 3.18Å
180	S	94.7	Very high	96.1	Very high	78 Å²	78	42.1 Å²	42.1	55%	0.545	23%	0.227	S	C	.	.	H	α-helix	trans	-71.2	-17.6	-179	72.5	0	0	0	0	115.2	S176 Y177 L178 P182	S176-S180 PolarHBondContact O-N 2.96Å; Y177-S180 PolarHBondContact O-N 2.88Å; Y177-S180 PolarHBondContact O-OG 3.38Å; L178-S180 VanDerWaalsContact C-N 3.32Å; L178-S180 PolarHBondContact O-N 2.83Å; S180-P182 WeakPolarHBondContact O-CD 3.4Å
181	I	97.1	Very high	96.3	Very high	13 Å²	13	39 Å²	39	7%	0.067	22%	0.215	C	C	.	.	S	Bend	trans	-62	127.3	176.7	-65.1	166.9	0	0	0	108.3	K113 I161 Y177 L178 Q179 D185 F187	K113-I181 HydrophobicContact CB-CG2 4.36Å; K113-I181 HydrophobicContact CD-CB 4.13Å; K113-I181 HydrophobicContact CD-CG2 4.06Å; K113-I181 WeakPolarHBondContact CD-O 3.19Å; K113-I181 WeakPolarHBondContact CE-O 3.47Å; K113-I181 PolarHBondContact NZ-O 3.12Å; I161-I181 HydrophobicContact CG2-CD1 4.17Å; Y177-I181 HydrophobicContact CD1-CD1 4.31Å; Y177-I181 HydrophobicContact CE1-CD1 4.12Å; Y177-I181 HydrophobicContact CE1-CG1 4.26Å; Y177-I181 PolarHBondContact O-N 3.34Å; L178-I181 HydrophobicContact CD2-CD1 4.26Å; L178-I181 PolarHBondContact O-N 3.46Å; Q179-I181 VanDerWaalsContact C-N 3.29Å; Q179-I181 PolarHBondContact O-N 3.07Å; I181-D185 HydrophobicContact CG2-CB 4.1Å; I181-F187 HydrophobicContact CD1-CB 4Å; I181-F187 HydrophobicContact CD1-CD1 3.89Å; I181-F187 HydrophobicContact CD1-CD2 4.19Å; I181-F187 HydrophobicContact CD1-CE1 4.45Å; I181-F187 HydrophobicContact CD1-CG 3.75Å; I181-F187 HydrophobicContact CG2-CD1 4.09Å
182	P	97.5	Very high	96.5	Very high	71 Å²	71	39.5 Å²	39.5	46%	0.461	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-59.5	145.4	176.2	-24.8	34.5	0	0	0	112.5	S180 D185	S180-P182 WeakPolarHBondContact O-CD 3.4Å; P182-D185 HydrophobicContact CB-CB 4.48Å; P182-D185 WeakPolarHBondContact CD-OD2 3.33Å; P182-D185 WeakPolarHBondContact CG-OD2 3.13Å; P182-D185 WeakPolarHBondContact O-CB 3.14Å; P182-D185 PolarHBondContact O-N 3.35Å
183	I	96.5	Very high	96.7	Very high	74 Å²	74	38.8 Å²	38.8	38%	0.379	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	146.7	167.2	-56.8	178.3	0	0	0	108	D116 D185	D116-I183 WeakPolarHBondContact OD1-CD1 3.29Å; I183-D185 PolarHBondContact O-N 3.45Å
184	T	95	Very high	96.8	Very high	92 Å²	92	37.5 Å²	37.5	56%	0.564	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-19.3	-175.8	77.1	0	0	0	0	115.8	R112 K113	R112-T184 WeakPolarHBondContact CG-O 3.3Å; R112-T184 PolarHBondContact NH1-O 3.03Å; K113-T184 WeakPolarHBondContact O-CA 3.33Å; K113-T184 PolarHBondContact O-N 3.49Å
185	D	98.1	Very high	96.7	Very high	76 Å²	76	41.4 Å²	41.4	41%	0.406	23%	0.228	S	C	.	.			trans	-66.4	151.3	175.6	-77.7	8.1	0	0	0	111.5	R112 K113 I181 P182 I183	R112-D185 CarbonylContact C-O 3.57Å; R112-D185 WeakPolarHBondContact CA-O 3.26Å; K113-D185 PolarHBondContact N-O 3.14Å; I181-D185 HydrophobicContact CG2-CB 4.1Å; P182-D185 HydrophobicContact CB-CB 4.48Å; P182-D185 WeakPolarHBondContact CD-OD2 3.33Å; P182-D185 WeakPolarHBondContact CG-OD2 3.13Å; P182-D185 WeakPolarHBondContact O-CB 3.14Å; P182-D185 PolarHBondContact O-N 3.35Å; I183-D185 PolarHBondContact O-N 3.45Å
186	V	98.3	Very high	96.4	Very high	68 Å²	68	45.9 Å²	45.9	41%	0.412	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.1	172.8	-178.8	0	0	0	0	108.5	K110 I111 R112	K110-V186 HydrophobicContact CB-CG1 4.06Å; I111-V186 CarbonylContact O-C 3.57Å; I111-V186 VanDerWaalsContact O-CA 3.31Å; I111-V186 WeakPolarHBondContact O-CA 3.33Å; R112-V186 HydrophobicContact CB-CG2 4.08Å; R112-V186 HydrophobicContact CG-CG2 4.2Å; R112-V186 VanDerWaalsContact CZ-CG2 3.46Å
187	F	98.2	Very high	95.7	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.1	172.9	65	-84.5	0	0	0	110.7	K110 I111 K113 F118 I161 N162 L178 I181 L189	K110-F187 WeakPolarHBondContact CA-O 3.47Å; I111-F187 HydrophobicContact CB-CD1 4.46Å; I111-F187 HydrophobicContact CB-CE1 3.83Å; I111-F187 HydrophobicContact CB-CE2 4.01Å; I111-F187 HydrophobicContact CB-CZ 3.56Å; I111-F187 HydrophobicContact CD1-CE2 3.99Å; I111-F187 HydrophobicContact CD1-CZ 3.97Å; I111-F187 HydrophobicContact CG1-CE2 4.46Å; I111-F187 HydrophobicContact CG1-CZ 4.34Å; I111-F187 HydrophobicContact CG2-CE1 3.8Å; I111-F187 HydrophobicContact CG2-CZ 3.64Å; I111-F187 PolarHBondContact N-O 2.89Å; I111-F187 WeakPolarHBondContact O-CD1 3.29Å; I111-F187 PolarHBondContact O-N 3.31Å; K113-F187 HydrophobicContact CB-CE1 4.18Å; F118-F187 HydrophobicContact CE1-CE1 4.03Å; F118-F187 HydrophobicContact CE1-CE2 4.43Å; F118-F187 AromaticContact CE1-CZ 3.59Å; F118-F187 HydrophobicContact CE1-CZ 3.59Å; F118-F187 HydrophobicContact CZ-CE1 4.18Å; F118-F187 HydrophobicContact CZ-CZ 4.17Å; I161-F187 HydrophobicContact CG2-CB 4.26Å; I161-F187 HydrophobicContact CG2-CD2 3.77Å; I161-F187 HydrophobicContact CG2-CG 4.36Å; N162-F187 WeakPolarHBondContact OD1-CA 3.49Å; N162-F187 WeakPolarHBondContact OD1-CB 3.42Å; L178-F187 HydrophobicContact CD2-CE2 4.25Å; I181-F187 HydrophobicContact CD1-CB 4Å; I181-F187 HydrophobicContact CD1-CD1 3.89Å; I181-F187 HydrophobicContact CD1-CD2 4.19Å; I181-F187 HydrophobicContact CD1-CE1 4.45Å; I181-F187 HydrophobicContact CD1-CG 3.75Å; I181-F187 HydrophobicContact CG2-CD1 4.09Å; F187-L189 HydrophobicContact CD2-CB 4.39Å; F187-L189 HydrophobicContact CE2-CB 4.12Å
188	C	98.3	Very high	94.2	Very high	28 Å²	28	48.7 Å²	48.7	19%	0.189	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.2	172.6	-168.4	0	0	0	0	109.4	K110 I161 N162	K110-C188 HydrophobicContact CG-CB 4.4Å; I161-C188 CarbonylContact C-O 3.46Å; I161-C188 VanDerWaalsContact CA-O 3.32Å; I161-C188 WeakPolarHBondContact CA-O 3.29Å; N162-C188 PolarHBondContact N-O 3.41Å; N162-C188 PolarHBondContact OD1-N 2.88Å
189	L	98.3	Very high	92.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.4	174.9	-175	63.9	0	0	0	108.9	E108 I109 I111 M141 I152 I158 I161 F187 L191	E108-L189 WeakPolarHBondContact CA-O 3.41Å; I109-L189 HydrophobicContact CG2-CB 4.01Å; I109-L189 PolarHBondContact N-O 2.79Å; I109-L189 PolarHBondContact O-N 3.25Å; I111-L189 HydrophobicContact CD1-CB 4.17Å; I111-L189 HydrophobicContact CD1-CD2 3.98Å; M141-L189 HydrophobicContact CE-CD2 4.36Å; I152-L189 HydrophobicContact CD1-CD2 4.49Å; I158-L189 HydrophobicContact CG1-CD1 4.47Å; I158-L189 HydrophobicContact CG2-CD1 3.9Å; I161-L189 HydrophobicContact CG1-CD1 3.86Å; F187-L189 HydrophobicContact CD2-CB 4.39Å; F187-L189 HydrophobicContact CE2-CB 4.12Å; L189-L191 HydrophobicContact CD1-CD2 4.15Å; L189-L191 HydrophobicContact CD2-CD1 4.18Å; L189-L191 HydrophobicContact CD2-CD2 3.93Å; L189-L191 HydrophobicContact CD2-CG 4.18Å; L189-L191 HydrophobicContact CG-CD1 4.5Å; L189-L191 HydrophobicContact CG-CD2 3.78Å; L189-L191 HydrophobicContact CG-CG 4Å
190	R	98.5	Very high	90.7	Very high	62 Å²	62	56.7 Å²	56.7	23%	0.234	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.5	173.7	-174.8	175.6	169.3	79.1	9.8	110	K107 E108 E159 K160	K107-R190 CarbonylContact O-C 3.48Å; K107-R190 WeakPolarHBondContact O-CA 3.36Å; E108-R190 HydrophobicContact CG-CB 3.89Å; E108-R190 HydrophobicContact CG-CG 3.73Å; E108-R190 VanDerWaalsContact OE1-CD 3.29Å; E108-R190 WeakPolarHBondContact OE1-CD 3.27Å; E108-R190 IonicContact OE1-CZ 3.97Å; E108-R190 IonicContact OE1-NE 2.63Å; E108-R190 IonicContact OE1-NH1 3.68Å; E108-R190 PolarHBondContact OE1-NH1 3.37Å; E159-R190 HydrophobicContact CB-CG 4.5Å; E159-R190 PolarHBondContact N-O 3.33Å; E159-R190 WeakPolarHBondContact OE2-CD 3.34Å; E159-R190 IonicContact OE2-CZ 2.75Å; E159-R190 IonicContact OE2-NE 3.05Å; E159-R190 PolarHBondContact OE2-NE 3.22Å; E159-R190 IonicContact OE2-NH2 3.64Å; K160-R190 HydrophobicContact CB-CB 3.9Å; K160-R190 HydrophobicContact CG-CB 4.42Å; K160-R190 PolarHBondContact N-O 2.96Å; K160-R190 PolarHBondContact O-N 3.03Å
191	L	98.6	Very high	88.5	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.5	-179.1	-57	175	0	0	0	111.2	P106 K107 I132 I152 D156 Q157 I158 L189	P106-L191 CarbonylContact C-O 3.59Å; P106-L191 WeakPolarHBondContact CA-O 3.3Å; K107-L191 HydrophobicContact CB-CB 4.33Å; K107-L191 PolarHBondContact N-O 3.09Å; K107-L191 PolarHBondContact O-N 3.33Å; I132-L191 HydrophobicContact CD1-CD2 4.16Å; I152-L191 HydrophobicContact CB-CD1 4.2Å; I152-L191 HydrophobicContact CG1-CD1 3.92Å; I152-L191 HydrophobicContact CG2-CD1 3.87Å; D156-L191 HydrophobicContact CB-CB 4.32Å; D156-L191 HydrophobicContact CB-CD1 4.31Å; D156-L191 HydrophobicContact CB-CD2 4.47Å; Q157-L191 CarbonylContact O-C 3.51Å; Q157-L191 WeakPolarHBondContact O-CA 3.45Å; Q157-L191 WeakPolarHBondContact O-CD2 3.37Å; I158-L191 HydrophobicContact CB-CD2 4.37Å; I158-L191 HydrophobicContact CG1-CD2 3.73Å; L189-L191 HydrophobicContact CD1-CD2 4.15Å; L189-L191 HydrophobicContact CD2-CD1 4.18Å; L189-L191 HydrophobicContact CD2-CD2 3.93Å; L189-L191 HydrophobicContact CD2-CG 4.18Å; L189-L191 HydrophobicContact CG-CD1 4.5Å; L189-L191 HydrophobicContact CG-CD2 3.78Å; L189-L191 HydrophobicContact CG-CG 4Å
192	I	98.4	Very high	86.1	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.051	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.3	166.3	-56	175.9	0	0	0	107.3	M73 K103 P106 Q157 E159	M73-I192 WeakPolarHBondContact CE-O 3.46Å; K103-I192 HydrophobicContact CB-CG2 3.88Å; K103-I192 HydrophobicContact CD-CD1 4.13Å; K103-I192 HydrophobicContact CG-CG2 3.97Å; P106-I192 HydrophobicContact CB-CG1 4.37Å; Q157-I192 HydrophobicContact CB-CB 4.34Å; Q157-I192 PolarHBondContact N-O 3.46Å; Q157-I192 PolarHBondContact O-N 2.98Å; E159-I192 HydrophobicContact CB-CD1 4.2Å; E159-I192 HydrophobicContact CB-CG1 4.34Å; E159-I192 HydrophobicContact CG-CD1 4.29Å
193	S	97.3	Very high	83.6	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.028	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	151	173.3	-71.1	0	0	0	0	111.4	G104 Q105 K107 D156	G104-S193 CarbonylContact C-O 3.53Å; G104-S193 VanDerWaalsContact CA-O 3.26Å; G104-S193 WeakPolarHBondContact CA-O 3.21Å; G104-S193 PolarHBondContact N-O 3.44Å; Q105-S193 PolarHBondContact O-N 3.46Å; K107-S193 WeakPolarHBondContact CE-OG 3.43Å; K107-S193 PolarHBondContact NZ-OG 3.29Å; D156-S193 VanDerWaalsContact OD1-CA 3.29Å; D156-S193 WeakPolarHBondContact OD1-CA 3.1Å; D156-S193 WeakPolarHBondContact OD1-CB 3.2Å; D156-S193 PolarHBondContact OD1-OG 3.49Å
194	P	97.1	Very high	81.1	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.032	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	145.4	167.4	28	-32.1	0	0	0	110.2	M73 F74 L82 H101 I102	M73-P194 HydrophobicContact CE-CB 4.48Å; M73-P194 VanDerWaalsContact SD-CA 3.52Å; M73-P194 HydrophobicContact SD-CB 3.96Å; F74-P194 HydrophobicContact CE1-CB 4.49Å; F74-P194 HydrophobicContact CZ-CB 4.33Å; F74-P194 HydrophobicContact CZ-CG 4.35Å; L82-P194 HydrophobicContact CD1-CG 3.68Å; L82-P194 HydrophobicContact CD2-CG 4.18Å; H101-P194 HydrophobicContact CB-CB 4.07Å; I102-P194 CarbonylContact O-C 3.57Å; I102-P194 VanDerWaalsContact O-CA 3.32Å; I102-P194 WeakPolarHBondContact O-CA 3.34Å
195	E	95.8	Very high	78.7	Confident	81 Å²	81	75.7 Å²	75.7	38%	0.379	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.8	172.7	-170.3	167.2	-168.8	0	0	110.5	H41 I102	H41-E195 HydrophobicContact CB-CB 4.17Å; H41-E195 HydrophobicContact CB-CG 3.86Å; H41-E195 IonicContact CE1-OE2 2.81Å; H41-E195 IonicContact CG-OE2 2.81Å; H41-E195 IonicContact ND1-OE2 2.97Å; H41-E195 IonicContact NE2-OE2 3.77Å; I102-E195 VanDerWaalsContact CD1-OE2 3.29Å; I102-E195 WeakPolarHBondContact CD1-OE2 3.23Å; I102-E195 HydrophobicContact CG1-CB 4.1Å; I102-E195 WeakPolarHBondContact CG1-OE2 3.24Å; I102-E195 PolarHBondContact O-N 3.11Å
196	R	87.6	Confident	76.1	Confident	102 Å²	102	75.8 Å²	75.8	39%	0.385	38%	0.382	S	S	.	.			trans	-117.4	136.2	-175.7	-62.2	-175.1	172.4	132.5	-1.8	109.6	P198 Y200	R196-P198 WeakPolarHBondContact O-CD 3.48Å; R196-Y200 HydrophobicContact CB-CD1 3.89Å; R196-Y200 HydrophobicContact CB-CE1 3.75Å
197	C	78.6	Confident	73.4	Confident	31 Å²	31	82.1 Å²	82.1	21%	0.209	40%	0.404	C	S	.	.			trans	-56.7	124.4	170.2	-52.7	0	0	0	0	109.2	A40 H41 M199 Y200	A40-C197 PolarHBondContact O-SG 3.27Å; H41-C197 WeakPolarHBondContact CA-SG 3.14Å; H41-C197 PolarHBondContact O-SG 3.49Å; C197-M199 PolarHBondContact O-N 2.77Å; C197-Y200 WeakPolarHBondContact O-CD1 3.49Å; C197-Y200 VanDerWaalsContact O-CE1 3.24Å; C197-Y200 WeakPolarHBondContact O-CE1 3.21Å; C197-Y200 PolarHBondContact O-N 2.8Å; C197-Y200 VanDerWaalsContact O-N 3.09Å
198	P	64.9	Low	70.8	Confident	120 Å²	120	88.2 Å²	88.2	78%	0.779	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-53.1	-26.1	173.9	-26.5	34.4	0	0	0	113.5	R196 Y200	R196-P198 WeakPolarHBondContact O-CD 3.48Å; P198-Y200 VanDerWaalsContact C-N 3.3Å; P198-Y200 PolarHBondContact O-N 3.3Å
199	M	64.3	Low	68.1	Low	134 Å²	134	95.2 Å²	95.2	66%	0.66	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-80.2	5.6	-176.9	-150.7	146	-84.3	0	0	115.2	C197 M201 I202	C197-M199 PolarHBondContact O-N 2.77Å; M199-M201 PolarHBondContact O-N 3.45Å; M199-M201 VanDerWaalsContact O-N 3.1Å; M199-I202 HydrophobicContact CE-CD1 4.17Å; M199-I202 HydrophobicContact CG-CB 4.21Å; M199-I202 HydrophobicContact CG-CD1 4.02Å; M199-I202 HydrophobicContact CG-CG1 4.23Å; M199-I202 PolarHBondContact O-N 2.79Å; M199-I202 VanDerWaalsContact O-N 3.08Å; M199-I202 HydrophobicContact SD-CD1 4.37Å
200	Y	52.2	Low	65.5	Low	135 Å²	135	101.9 Å²	101.9	53%	0.529	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-58.1	-22	171.5	58.9	-108.5	0	0	0	112.9	R196 C197 P198 I202	R196-Y200 HydrophobicContact CB-CD1 3.89Å; R196-Y200 HydrophobicContact CB-CE1 3.75Å; C197-Y200 WeakPolarHBondContact O-CD1 3.49Å; C197-Y200 VanDerWaalsContact O-CE1 3.24Å; C197-Y200 WeakPolarHBondContact O-CE1 3.21Å; C197-Y200 PolarHBondContact O-N 2.8Å; C197-Y200 VanDerWaalsContact O-N 3.09Å; P198-Y200 VanDerWaalsContact C-N 3.3Å; P198-Y200 PolarHBondContact O-N 3.3Å; Y200-I202 VanDerWaalsContact C-N 3.35Å
201	M	48.6	Very low	62.9	Low	147 Å²	147	104.4 Å²	104.4	72%	0.724	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-76	-20.3	178.3	-70.1	-56.6	-170.1	0	0	113.9	M199 N203	M199-M201 PolarHBondContact O-N 3.45Å; M199-M201 VanDerWaalsContact O-N 3.1Å; M201-N203 PolarHBondContact O-N 2.97Å
202	I	46.5	Very low	60.3	Low	111 Å²	111	112.3 Å²	112.3	57%	0.569	56%	0.555	S	S	*	*	S	Bend	trans	-89.1	93.7	169.8	-53.2	-178.4	0	0	0	105.5	M199 Y200 S204	M199-I202 HydrophobicContact CE-CD1 4.17Å; M199-I202 HydrophobicContact CG-CB 4.21Å; M199-I202 HydrophobicContact CG-CD1 4.02Å; M199-I202 HydrophobicContact CG-CG1 4.23Å; M199-I202 PolarHBondContact O-N 2.79Å; M199-I202 VanDerWaalsContact O-N 3.08Å; M199-I202 HydrophobicContact SD-CD1 4.37Å; Y200-I202 VanDerWaalsContact C-N 3.35Å; I202-S204 PolarHBondContact O-N 2.66Å
203	N	44.4	Very low	57.8	Low	145 Å²	145	116 Å²	116	78%	0.775	57%	0.574	S	S	*	*			trans	-54.9	84.8	161.4	-79.8	-43.1	0	0	0	107.7	M201 R205	M201-N203 PolarHBondContact O-N 2.97Å; N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 3.36Å
204	S	44.2	Very low	55.6	Low	86 Å²	86	116.9 Å²	116.9	60%	0.601	58%	0.583	S	S	*	*			trans	-60.4	108.7	166.7	178.4	0	0	0	0	104.4	I202 S206	I202-S204 PolarHBondContact O-N 2.66Å; S204-S206 PolarHBondContact O-N 3.08Å; S204-S206 PolarHBondContact OG-N 3.29Å
205	R	43.8	Very low	53.4	Low	239 Å²	239	121 Å²	121	90%	0.902	61%	0.612	S	S	*	*			trans	-65.1	31.9	168.5	-69.7	179.1	-176.5	168.9	1.6	111.1	N203 K207	N203-R205 VanDerWaalsContact C-N 3.33Å; N203-R205 PolarHBondContact O-N 3.36Å; R205-K207 PolarHBondContact O-N 3.31Å
206	S	44	Very low	51.6	Low	77 Å²	77	117.5 Å²	117.5	54%	0.538	60%	0.598	S	S	.	*			trans	-61.5	92.2	151.2	-92.2	0	0	0	0	106.5	S204 N208	S204-S206 PolarHBondContact O-N 3.08Å; S204-S206 PolarHBondContact OG-N 3.29Å; S206-N208 PolarHBondContact O-N 3.34Å
207	K	40.7	Very low	50.7	Low	202 Å²	202	119.5 Å²	119.5	88%	0.878	61%	0.61	S	S	*	*			trans	-43.7	74.3	134.6	-68.6	175.9	176.3	175.3	0	107.1	R205 K209	R205-K207 PolarHBondContact O-N 3.31Å; K207-K209 PolarHBondContact O-N 3.11Å
208	N	43.7	Very low	51.1	Low	131 Å²	131	124.8 Å²	124.8	70%	0.701	63%	0.625	S	S	*	*			trans	-64.3	101	159.9	-85	-7.4	0	0	0	101.9	S206 N210	S206-N208 PolarHBondContact O-N 3.34Å; N208-N210 PolarHBondContact O-N 3.14Å; N208-N210 VanDerWaalsContact O-N 3.15Å
209	K	43.3	Very low	52.3	Low	175 Å²	175	119.3 Å²	119.3	76%	0.761	59%	0.589	S	S	*	*			trans	-26.7	125	148.6	-81.3	173.6	171.3	174.3	0	105	K207 N211	K207-K209 PolarHBondContact O-N 3.11Å; K209-N211 PolarHBondContact O-N 3.23Å
210	N	43.7	Very low	53.6	Low	141 Å²	141	113 Å²	113	75%	0.754	56%	0.558	S	S	*	*			trans	-57.4	75.1	157.8	-65.1	-29.4	0	0	0	105.4	N208 H212	N208-N210 PolarHBondContact O-N 3.14Å; N208-N210 VanDerWaalsContact O-N 3.15Å; N210-H212 PolarHBondContact O-CD2 3.29Å; N210-H212 PolarHBondContact O-N 3.12Å
211	N	42.8	Very low	55.4	Low	115 Å²	115	107.3 Å²	107.3	62%	0.615	54%	0.536	S	S	*	.			trans	-59	106.8	155.3	-99.3	13	0	0	0	100.1	K209 I213	K209-N211 PolarHBondContact O-N 3.23Å; N211-I213 HydrophobicContact CB-CD1 3.84Å; N211-I213 HydrophobicContact CB-CG1 4.03Å; N211-I213 PolarHBondContact O-N 3.46Å
212	H	43.8	Very low	57.3	Low	167 Å²	167	101 Å²	101	77%	0.773	50%	0.504	S	S	*	.			trans	-60.4	53.2	167	-72.3	-86.7	0	0	0	109.1	N210 G214	N210-H212 PolarHBondContact O-CD2 3.29Å; N210-H212 PolarHBondContact O-N 3.12Å; H212-G214 PolarHBondContact O-N 2.93Å; H212-G214 VanDerWaalsContact O-N 3.13Å
213	I	46.3	Very low	59.1	Low	89 Å²	89	99.4 Å²	99.4	46%	0.456	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	109.1	168	-81.9	162	0	0	0	104.1	N78 N211	N78-I213 PolarHBondContact ND2-O 2.99Å; N211-I213 HydrophobicContact CB-CD1 3.84Å; N211-I213 HydrophobicContact CB-CG1 4.03Å; N211-I213 PolarHBondContact O-N 3.46Å
214	G	51.1	Low	60.7	Low	22 Å²	22	99.6 Å²	99.6	23%	0.227	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	58.3	171.6	0	0	0	0	0	115.3	H212 G216	H212-G214 PolarHBondContact O-N 2.93Å; H212-G214 VanDerWaalsContact O-N 3.13Å; G214-G216 PolarHBondContact O-N 3.37Å
215	S	51.6	Low	62.5	Low	90 Å²	90	100.2 Å²	100.2	63%	0.629	49%	0.486	S	S	*	.			trans	-76	23.3	144.1	87.9	0	0	0	0	110.7	K217	S215-K217 PolarHBondContact O-N 2.86Å
216	G	56.9	Low	64.3	Low	9 Å²	9	89.8 Å²	89.8	9%	0.093	45%	0.453	C	S	.	.			trans	-42.6	102.8	-162.2	0	0	0	0	0	108.8	G214 R218 I233	G214-G216 PolarHBondContact O-N 3.37Å; G216-R218 PolarHBondContact O-N 3.28Å; G216-I233 WeakPolarHBondContact O-CD1 3.18Å
217	K	70.3	Confident	66.3	Low	144 Å²	144	88.5 Å²	88.5	63%	0.626	44%	0.44	S	S	*	.	S	Bend	trans	-58.3	-22.9	-177.4	-69.3	-171.5	175.9	-171.1	0	109.9	S215 E232 I233	S215-K217 PolarHBondContact O-N 2.86Å; K217-E232 HydrophobicContact CB-CG 4.44Å; K217-E232 CarbonylContact O-C 3.54Å; K217-E232 WeakPolarHBondContact O-CA 3.35Å; K217-E232 WeakPolarHBondContact O-CG 3.43Å; K217-I233 PolarHBondContact O-N 2.88Å
218	R	86.3	Confident	68.5	Low	142 Å²	142	81.1 Å²	81.1	54%	0.536	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.1	175.2	-60.1	174	76.7	166.5	-1.2	110.3	L94 G216 E230 N231	L94-R218 HydrophobicContact CD1-CB 3.74Å; L94-R218 HydrophobicContact CG-CB 4.28Å; L94-R218 PolarHBondContact N-O 3.39Å; L94-R218 VanDerWaalsContact N-O 3.15Å; G216-R218 PolarHBondContact O-N 3.28Å; R218-E230 IonicContact CZ-OE1 3.03Å; R218-E230 IonicContact CZ-OE2 3.67Å; R218-E230 IonicContact NE-OE1 3.52Å; R218-E230 PolarHBondContact NE-OE1 2.81Å; R218-E230 IonicContact NH2-OE1 3.31Å; R218-E230 PolarHBondContact NH2-OE1 3.16Å; R218-E230 IonicContact NH2-OE2 2.76Å; R218-E230 PolarHBondContact NH2-OE2 2.69Å; R218-N231 CarbonylContact C-O 3.49Å; R218-N231 VanDerWaalsContact CA-O 3.24Å; R218-N231 WeakPolarHBondContact CA-O 3.27Å
219	T	90.1	Very high	70.7	Confident	4 Å²	4	78.7 Å²	78.7	3%	0.025	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.3	176.5	57.8	0	0	0	0	109.4	E91 I92 E230 N231 I233	E91-T219 VanDerWaalsContact CD-OG1 3.3Å; E91-T219 HydrophobicContact CG-CG2 4.08Å; E91-T219 WeakPolarHBondContact OE1-CB 3.32Å; E91-T219 VanDerWaalsContact OE1-CG2 3.29Å; E91-T219 WeakPolarHBondContact OE1-CG2 3.29Å; E91-T219 PolarHBondContact OE1-OG1 2.85Å; I92-T219 CarbonylContact O-C 3.53Å; I92-T219 WeakPolarHBondContact O-CA 3.24Å; I92-T219 WeakPolarHBondContact O-CB 3.28Å; T219-E230 CarbonylContact O-C 3.53Å; T219-E230 WeakPolarHBondContact O-CA 3.49Å; T219-N231 PolarHBondContact N-O 3.15Å; T219-N231 PolarHBondContact O-N 3.48Å; T219-I233 HydrophobicContact CG2-CD1 3.81Å; T219-I233 HydrophobicContact CG2-CG1 3.66Å
220	I	91	Very high	72.9	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.9	165.4	54.4	162.1	0	0	0	109	Y33 F35 E91 I92 L94 F222 I228	Y33-I220 HydrophobicContact CD1-CG2 4.11Å; Y33-I220 HydrophobicContact CD2-CD1 4.19Å; Y33-I220 HydrophobicContact CD2-CG2 4.13Å; Y33-I220 HydrophobicContact CE1-CG2 3.66Å; Y33-I220 HydrophobicContact CE2-CG2 3.66Å; Y33-I220 HydrophobicContact CG-CD1 4.26Å; Y33-I220 HydrophobicContact CG-CG2 4.33Å; F35-I220 HydrophobicContact CE2-CD1 3.64Å; F35-I220 HydrophobicContact CZ-CD1 3.45Å; F35-I220 VanDerWaalsContact CZ-CD1 3.45Å; F35-I220 HydrophobicContact CZ-CG1 3.91Å; E91-I220 CarbonylContact C-O 3.53Å; E91-I220 VanDerWaalsContact CA-O 3.29Å; E91-I220 WeakPolarHBondContact CA-O 3.46Å; I92-I220 HydrophobicContact CB-CG1 3.98Å; I92-I220 HydrophobicContact CG1-CG1 4.5Å; I92-I220 PolarHBondContact N-O 3.42Å; I92-I220 PolarHBondContact O-N 3.48Å; L94-I220 HydrophobicContact CD2-CG2 3.57Å; I220-F222 HydrophobicContact CD1-CE1 4.15Å; I220-I228 HydrophobicContact CB-CG2 3.59Å; I220-I228 HydrophobicContact CD1-CG2 4.47Å; I220-I228 HydrophobicContact CG2-CG2 3.78Å
221	R	89.8	Confident	74.9	Confident	17 Å²	17	68 Å²	68	6%	0.064	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.6	176.7	-172.3	178.8	-71.6	146	-2.9	109.5	Y90 E91 I228 E229 F261	Y90-R221 HydrophobicContact CD2-CG 3.5Å; Y90-R221 VanDerWaalsContact CD2-CG 3.5Å; Y90-R221 HydrophobicContact CE2-CG 3.63Å; E91-R221 IonicContact OE1-NH2 3.63Å; E91-R221 IonicContact OE2-CZ 3.71Å; E91-R221 IonicContact OE2-NE 3.06Å; E91-R221 PolarHBondContact OE2-NE 2.87Å; E91-R221 VanDerWaalsContact OE2-NE 3.12Å; E91-R221 IonicContact OE2-NH2 3.59Å; E91-R221 PolarHBondContact OE2-NH2 3.1Å; R221-I228 WeakPolarHBondContact O-CA 3.28Å; R221-E229 PolarHBondContact N-O 2.93Å; R221-E229 PolarHBondContact O-N 2.93Å; R221-F261 VanDerWaalsContact CZ-CZ 3.5Å
222	F	88.8	Confident	77	Confident	13 Å²	13	68.6 Å²	68.6	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.7	171.9	-48.6	-54.1	0	0	0	109.6	F51 T52 V54 Y90 I92 I220 I228	F51-F222 AromaticContact CD2-CE1 3.84Å; F51-F222 HydrophobicContact CD2-CE1 3.84Å; F51-F222 AromaticContact CD2-CZ 3.92Å; F51-F222 HydrophobicContact CD2-CZ 3.92Å; F51-F222 AromaticContact CE2-CE1 3.72Å; F51-F222 HydrophobicContact CE2-CE1 3.72Å; F51-F222 AromaticContact CE2-CZ 3.56Å; F51-F222 HydrophobicContact CE2-CZ 3.56Å; T52-F222 VanDerWaalsContact O-CD1 3.3Å; T52-F222 WeakPolarHBondContact O-CD1 3.5Å; V54-F222 HydrophobicContact CG2-CD2 3.63Å; V54-F222 HydrophobicContact CG2-CE2 3.97Å; Y90-F222 VanDerWaalsContact O-CD2 3.26Å; Y90-F222 WeakPolarHBondContact O-CD2 3.43Å; Y90-F222 PolarHBondContact O-N 2.83Å; I92-F222 HydrophobicContact CD1-CE2 3.84Å; I92-F222 HydrophobicContact CD1-CZ 3.49Å; I92-F222 VanDerWaalsContact CD1-CZ 3.49Å; I92-F222 HydrophobicContact CG1-CE2 3.91Å; I92-F222 HydrophobicContact CG1-CZ 3.77Å; I220-F222 HydrophobicContact CD1-CE1 4.15Å; F222-I228 HydrophobicContact CD1-CG1 4.35Å
223	K	85.4	Confident	78.6	Confident	78 Å²	78	63.6 Å²	63.6	34%	0.339	32%	0.32	S	S	.	.			trans	-99.9	157.7	174.9	-63.5	-166.6	-66.2	-169.4	0	110.8	D225 G226 N227 E229	K223-D225 WeakPolarHBondContact CB-OD1 3.31Å; K223-D225 PolarHBondContact O-N 3.3Å; K223-G226 PolarHBondContact O-N 2.88Å; K223-N227 WeakPolarHBondContact CB-O 3.25Å; K223-N227 PolarHBondContact N-O 3.45Å; K223-E229 HydrophobicContact CD-CB 4.07Å; K223-E229 HydrophobicContact CG-CB 4.39Å
224	Q	78.3	Confident	80.4	Confident	150 Å²	150	62.5 Å²	62.5	70%	0.701	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.2	-179.5	-65.5	-177.9	-7	0	0	113.2	G226 E258	Q224-G226 PolarHBondContact O-N 2.84Å; Q224-E258 PolarHBondContact NE2-OE1 3.48Å; Q224-E258 VanDerWaalsContact NE2-OE1 3.07Å
225	D	80.3	Confident	82	Confident	99 Å²	99	67.6 Å²	67.6	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.5	174.5	67.4	-7.1	0	0	0	113.4	K223 N227	K223-D225 WeakPolarHBondContact CB-OD1 3.31Å; K223-D225 PolarHBondContact O-N 3.3Å; D225-N227 VanDerWaalsContact C-N 3.26Å; D225-N227 VanDerWaalsContact CG-ND2 3.28Å; D225-N227 PolarHBondContact O-N 3.45Å; D225-N227 VanDerWaalsContact OD1-CB 3.29Å; D225-N227 WeakPolarHBondContact OD1-CB 3.33Å; D225-N227 PolarHBondContact OD1-N 3.33Å; D225-N227 PolarHBondContact OD2-ND2 2.63Å
226	G	82.1	Confident	83.6	Confident	19 Å²	19	67.2 Å²	67.2	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	77.7	7.1	-177.9	0	0	0	0	0	114.2	T52 K223 Q224	T52-G226 WeakPolarHBondContact CB-O 3.31Å; T52-G226 PolarHBondContact OG1-O 2.79Å; T52-G226 VanDerWaalsContact OG1-O 3.08Å; K223-G226 PolarHBondContact O-N 2.88Å; Q224-G226 PolarHBondContact O-N 2.84Å
227	N	86.8	Confident	85.1	Confident	51 Å²	51	68.4 Å²	68.4	27%	0.273	34%	0.337	S	S	.	.			trans	-84.6	154.1	170.4	-67.2	-45.8	0	0	0	111.1	R30 K223 D225	R30-N227 PolarHBondContact NH1-OD1 3.12Å; R30-N227 PolarHBondContact NH2-OD1 3.24Å; K223-N227 WeakPolarHBondContact CB-O 3.25Å; K223-N227 PolarHBondContact N-O 3.45Å; D225-N227 VanDerWaalsContact C-N 3.26Å; D225-N227 VanDerWaalsContact CG-ND2 3.28Å; D225-N227 PolarHBondContact O-N 3.45Å; D225-N227 VanDerWaalsContact OD1-CB 3.29Å; D225-N227 WeakPolarHBondContact OD1-CB 3.33Å; D225-N227 PolarHBondContact OD1-N 3.33Å; D225-N227 PolarHBondContact OD2-ND2 2.63Å
228	I	86.7	Confident	86.1	Confident	46 Å²	46	64.8 Å²	64.8	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.5	172.5	-58.2	177.2	0	0	0	107.7	Y33 T52 I220 R221 F222	Y33-I228 HydrophobicContact CD2-CD1 4.2Å; Y33-I228 HydrophobicContact CE2-CD1 4.31Å; Y33-I228 HydrophobicContact CE2-CG2 4.04Å; T52-I228 HydrophobicContact CG2-CD1 4Å; T52-I228 HydrophobicContact CG2-CG1 4.18Å; I220-I228 HydrophobicContact CB-CG2 3.59Å; I220-I228 HydrophobicContact CD1-CG2 4.47Å; I220-I228 HydrophobicContact CG2-CG2 3.78Å; R221-I228 WeakPolarHBondContact O-CA 3.28Å; F222-I228 HydrophobicContact CD1-CG1 4.35Å
229	E	89.3	Confident	86.3	Confident	80 Å²	80	61.9 Å²	61.9	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.9	171.3	-174.8	176.8	-153.4	0	0	109.2	R221 K223 N231	R221-E229 PolarHBondContact N-O 2.93Å; R221-E229 PolarHBondContact O-N 2.93Å; K223-E229 HydrophobicContact CD-CB 4.07Å; K223-E229 HydrophobicContact CG-CB 4.39Å; E229-N231 PolarHBondContact O-ND2 3.36Å; E229-N231 VanDerWaalsContact O-ND2 3.11Å
230	E	88.7	Confident	86.5	Confident	63 Å²	63	61.9 Å²	61.9	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.5	170.2	-165.5	179.7	-178.8	0	0	109.3	L94 R218 T219	L94-E230 WeakPolarHBondContact CD1-OE1 3.17Å; R218-E230 IonicContact CZ-OE1 3.03Å; R218-E230 IonicContact CZ-OE2 3.67Å; R218-E230 IonicContact NE-OE1 3.52Å; R218-E230 PolarHBondContact NE-OE1 2.81Å; R218-E230 IonicContact NH2-OE1 3.31Å; R218-E230 PolarHBondContact NH2-OE1 3.16Å; R218-E230 IonicContact NH2-OE2 2.76Å; R218-E230 PolarHBondContact NH2-OE2 2.69Å; T219-E230 CarbonylContact O-C 3.53Å; T219-E230 WeakPolarHBondContact O-CA 3.49Å
231	N	86.5	Confident	86.6	Confident	29 Å²	29	62.7 Å²	62.7	16%	0.155	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.7	-177.1	-68.5	-82.5	0	0	0	110.1	R218 T219 E229	R218-N231 CarbonylContact C-O 3.49Å; R218-N231 VanDerWaalsContact CA-O 3.24Å; R218-N231 WeakPolarHBondContact CA-O 3.27Å; T219-N231 PolarHBondContact N-O 3.15Å; T219-N231 PolarHBondContact O-N 3.48Å; E229-N231 PolarHBondContact O-ND2 3.36Å; E229-N231 VanDerWaalsContact O-ND2 3.11Å
232	E	86.4	Confident	86.8	Confident	128 Å²	128	67.1 Å²	67.1	60%	0.598	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.5	159.4	-166.7	171.1	-172.6	0	0	108.8	K217 V234	K217-E232 HydrophobicContact CB-CG 4.44Å; K217-E232 CarbonylContact O-C 3.54Å; K217-E232 WeakPolarHBondContact O-CA 3.35Å; K217-E232 WeakPolarHBondContact O-CG 3.43Å; E232-V234 PolarHBondContact O-N 3Å
233	I	78.9	Confident	87.2	Confident	61 Å²	61	69.9 Å²	69.9	31%	0.313	35%	0.352	S	S	.	.			trans	-64.7	119.1	174.9	-65.4	174.7	0	0	0	108.6	G216 K217 T219 I238	G216-I233 WeakPolarHBondContact O-CD1 3.18Å; K217-I233 PolarHBondContact O-N 2.88Å; T219-I233 HydrophobicContact CG2-CD1 3.81Å; T219-I233 HydrophobicContact CG2-CG1 3.66Å; I233-I238 HydrophobicContact CG2-CD1 3.3Å; I233-I238 HydrophobicContact CG2-CG1 4.28Å
234	V	82.1	Confident	87.7	Confident	66 Å²	66	66.1 Å²	66.1	40%	0.4	34%	0.336	S	S	.	.			trans	-108.7	113.8	175.6	-177.8	0	0	0	0	109	E232 V236 E237 I238	E232-V234 PolarHBondContact O-N 3Å; V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CG1-CB 4.44Å; V234-V236 PolarHBondContact O-N 2.61Å; V234-E237 HydrophobicContact CB-CB 4.3Å; V234-E237 HydrophobicContact CB-CG 3.78Å; V234-E237 HydrophobicContact CG1-CG 3.88Å; V234-E237 WeakPolarHBondContact O-CB 3.44Å; V234-E237 PolarHBondContact O-N 3.05Å; V234-I238 PolarHBondContact O-N 3.11Å
235	D	84.9	Confident	88.6	Confident	129 Å²	129	59.2 Å²	59.2	69%	0.69	30%	0.304	S	S	*	.	H	α-helix	trans	-56.8	-38.8	-173.8	-67.2	-33.1	0	0	0	113.2	E237 I238 E239	D235-E237 VanDerWaalsContact C-N 3.25Å; D235-E237 PolarHBondContact O-N 3.13Å; D235-I238 WeakPolarHBondContact O-CB 3.23Å; D235-I238 PolarHBondContact O-N 3.08Å; D235-I238 VanDerWaalsContact O-N 3.16Å; D235-E239 PolarHBondContact O-N 3.19Å
236	V	86.5	Confident	89.4	Confident	83 Å²	83	60.6 Å²	60.6	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-33.4	177.9	-177.3	0	0	0	0	111.6	V234 G240	V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CG1-CB 4.44Å; V234-V236 PolarHBondContact O-N 2.61Å; V236-G240 PolarHBondContact O-N 3.25Å
237	E	89	Confident	90	Very high	33 Å²	33	60.8 Å²	60.8	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-72.3	-40.7	175.6	-56.4	-167.4	162.9	0	0	111.1	V234 D235 E239 G240 I241 Y264 K265	V234-E237 HydrophobicContact CB-CB 4.3Å; V234-E237 HydrophobicContact CB-CG 3.78Å; V234-E237 HydrophobicContact CG1-CG 3.88Å; V234-E237 WeakPolarHBondContact O-CB 3.44Å; V234-E237 PolarHBondContact O-N 3.05Å; D235-E237 VanDerWaalsContact C-N 3.25Å; D235-E237 PolarHBondContact O-N 3.13Å; E237-E239 VanDerWaalsContact C-N 3.34Å; E237-E239 PolarHBondContact O-N 3.49Å; E237-G240 PolarHBondContact O-N 2.94Å; E237-I241 WeakPolarHBondContact O-CD1 3.48Å; E237-I241 WeakPolarHBondContact O-CG1 3.27Å; E237-I241 PolarHBondContact O-N 3.36Å; E237-Y264 HydrophobicContact CB-CE1 4.07Å; E237-Y264 HydrophobicContact CG-CE1 3.76Å; E237-K265 VanDerWaalsContact CD-NZ 3.34Å; E237-K265 IonicContact OE1-NZ 3.52Å; E237-K265 PolarHBondContact OE1-NZ 2.92Å; E237-K265 IonicContact OE2-NZ 3.53Å
238	I	89.5	Confident	90.4	Very high	68 Å²	68	58.4 Å²	58.4	35%	0.349	29%	0.291	S	S	.	.	H	α-helix	trans	-57.8	-49.3	174.5	-67.9	176.9	0	0	0	110.3	I233 V234 D235 G240 I241 Q242	I233-I238 HydrophobicContact CG2-CD1 3.3Å; I233-I238 HydrophobicContact CG2-CG1 4.28Å; V234-I238 PolarHBondContact O-N 3.11Å; D235-I238 WeakPolarHBondContact O-CB 3.23Å; D235-I238 PolarHBondContact O-N 3.08Å; D235-I238 VanDerWaalsContact O-N 3.16Å; I238-G240 VanDerWaalsContact C-N 3.33Å; I238-G240 PolarHBondContact O-N 3.38Å; I238-I241 PolarHBondContact O-N 2.8Å; I238-Q242 HydrophobicContact CG2-CG 4.45Å; I238-Q242 VanDerWaalsContact O-CG 3.31Å; I238-Q242 WeakPolarHBondContact O-CG 3.42Å; I238-Q242 PolarHBondContact O-N 3.1Å
239	E	91.6	Very high	90.9	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-42.7	178.8	-172.1	-174.5	-169	0	0	111.3	D235 E237 Q242 R243	D235-E239 PolarHBondContact O-N 3.19Å; E237-E239 VanDerWaalsContact C-N 3.34Å; E237-E239 PolarHBondContact O-N 3.49Å; E239-Q242 PolarHBondContact O-N 3.44Å; E239-R243 WeakPolarHBondContact O-CG 3.49Å; E239-R243 PolarHBondContact O-N 3.24Å; E239-R243 IonicContact OE1-CZ 2.66Å; E239-R243 IonicContact OE1-NH1 2.61Å; E239-R243 PolarHBondContact OE1-NH1 2.81Å; E239-R243 VanDerWaalsContact OE1-NH1 3.1Å; E239-R243 IonicContact OE1-NH2 3.55Å; E239-R243 PolarHBondContact OE1-NH2 3.12Å; E239-R243 IonicContact OE2-NH1 3.11Å
240	G	93.3	Very high	91.1	Very high	4 Å²	4	58.6 Å²	58.6	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-44.4	175.5	0	0	0	0	0	113.5	V236 E237 I238 R243 I244	V236-G240 PolarHBondContact O-N 3.25Å; E237-G240 PolarHBondContact O-N 2.94Å; I238-G240 VanDerWaalsContact C-N 3.33Å; I238-G240 PolarHBondContact O-N 3.38Å; G240-R243 PolarHBondContact O-N 3.28Å; G240-I244 WeakPolarHBondContact O-CG1 3.43Å; G240-I244 PolarHBondContact O-N 3.28Å; G240-I244 VanDerWaalsContact O-N 3.12Å
241	I	93.8	Very high	91.3	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-46.1	175.5	-67.5	162.8	0	0	0	110.5	E237 I238 I244 N245 N257 A260 F261	E237-I241 WeakPolarHBondContact O-CD1 3.48Å; E237-I241 WeakPolarHBondContact O-CG1 3.27Å; E237-I241 PolarHBondContact O-N 3.36Å; I238-I241 PolarHBondContact O-N 2.8Å; I241-I244 PolarHBondContact O-N 3.14Å; I241-N245 WeakPolarHBondContact O-CB 3.24Å; I241-N245 PolarHBondContact O-N 3.13Å; I241-N245 PolarHBondContact O-ND2 3.36Å; I241-N257 HydrophobicContact CG2-CB 4.41Å; I241-A260 HydrophobicContact CG2-CB 3.93Å; I241-F261 HydrophobicContact CD1-CB 4.01Å; I241-F261 HydrophobicContact CD1-CD2 3.82Å; I241-F261 HydrophobicContact CD1-CG 4.38Å; I241-F261 HydrophobicContact CG1-CB 3.97Å; I241-F261 HydrophobicContact CG1-CD2 4.21Å
242	Q	94.9	Very high	91.6	Very high	110 Å²	110	59.3 Å²	59.3	51%	0.514	30%	0.296	S	S	.	.	H	α-helix	trans	-59.4	-48.6	179.7	-74.8	173.3	-4.4	0	0	111.4	I238 E239 I244 N245 E246	I238-Q242 HydrophobicContact CG2-CG 4.45Å; I238-Q242 VanDerWaalsContact O-CG 3.31Å; I238-Q242 WeakPolarHBondContact O-CG 3.42Å; I238-Q242 PolarHBondContact O-N 3.1Å; E239-Q242 PolarHBondContact O-N 3.44Å; Q242-I244 VanDerWaalsContact C-N 3.34Å; Q242-I244 PolarHBondContact O-N 3.44Å; Q242-N245 WeakPolarHBondContact O-CB 3.4Å; Q242-N245 PolarHBondContact O-N 2.67Å; Q242-N245 VanDerWaalsContact O-N 3.16Å; Q242-E246 WeakPolarHBondContact O-CG 3.21Å; Q242-E246 PolarHBondContact O-N 2.87Å
243	R	96.4	Very high	91.9	Very high	70 Å²	70	54 Å²	54	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-37.5	178.6	-71.5	178.9	172.1	134.2	1.8	113.5	E239 G240 E246 I247 T301	E239-R243 WeakPolarHBondContact O-CG 3.49Å; E239-R243 PolarHBondContact O-N 3.24Å; E239-R243 IonicContact OE1-CZ 2.66Å; E239-R243 IonicContact OE1-NH1 2.61Å; E239-R243 PolarHBondContact OE1-NH1 2.81Å; E239-R243 VanDerWaalsContact OE1-NH1 3.1Å; E239-R243 IonicContact OE1-NH2 3.55Å; E239-R243 PolarHBondContact OE1-NH2 3.12Å; E239-R243 IonicContact OE2-NH1 3.11Å; G240-R243 PolarHBondContact O-N 3.28Å; R243-E246 PolarHBondContact O-N 2.9Å; R243-I247 PolarHBondContact O-N 3.3Å; R243-T301 HydrophobicContact CB-CG2 3.53Å; R243-T301 HydrophobicContact CG-CG2 4.27Å
244	I	96.5	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-42.8	175.2	-70.9	163.4	0	0	0	110.4	G240 I241 Q242 E246 I247 L248 A260 I263 Y264 F298 V302	G240-I244 WeakPolarHBondContact O-CG1 3.43Å; G240-I244 PolarHBondContact O-N 3.28Å; G240-I244 VanDerWaalsContact O-N 3.12Å; I241-I244 PolarHBondContact O-N 3.14Å; Q242-I244 VanDerWaalsContact C-N 3.34Å; Q242-I244 PolarHBondContact O-N 3.44Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.5Å; I244-I247 WeakPolarHBondContact O-CB 3.39Å; I244-I247 PolarHBondContact O-N 3.43Å; I244-I247 VanDerWaalsContact O-N 3.14Å; I244-L248 HydrophobicContact CG2-CD1 4Å; I244-L248 HydrophobicContact CG2-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CG 3.25Å; I244-L248 PolarHBondContact O-N 3.22Å; I244-A260 HydrophobicContact CB-CB 4.07Å; I244-A260 VanDerWaalsContact CD1-O 3.27Å; I244-A260 WeakPolarHBondContact CD1-O 3.48Å; I244-A260 HydrophobicContact CG2-CB 3.72Å; I244-I263 HydrophobicContact CD1-CB 4.11Å; I244-I263 HydrophobicContact CD1-CG2 3.82Å; I244-I263 HydrophobicContact CG1-CG2 4.33Å; I244-I263 HydrophobicContact CG2-CB 4.25Å; I244-I263 HydrophobicContact CG2-CD1 4.09Å; I244-I263 HydrophobicContact CG2-CG2 4.18Å; I244-Y264 HydrophobicContact CD1-CD2 4.48Å; I244-F298 HydrophobicContact CB-CD1 4.47Å; I244-F298 HydrophobicContact CG1-CD1 4.29Å; I244-F298 HydrophobicContact CG2-CD1 3.92Å; I244-F298 HydrophobicContact CG2-CE1 3.89Å; I244-V302 HydrophobicContact CD1-CG2 3.94Å; I244-V302 HydrophobicContact CG1-CG2 4.27Å
245	N	96	Very high	93.3	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-35.5	175.8	-88.7	-39.7	0	0	0	112.7	I241 Q242 I247 L248 D249 E255 D256 N257	I241-N245 WeakPolarHBondContact O-CB 3.24Å; I241-N245 PolarHBondContact O-N 3.13Å; I241-N245 PolarHBondContact O-ND2 3.36Å; Q242-N245 WeakPolarHBondContact O-CB 3.4Å; Q242-N245 PolarHBondContact O-N 2.67Å; Q242-N245 VanDerWaalsContact O-N 3.16Å; N245-I247 VanDerWaalsContact C-N 3.27Å; N245-I247 PolarHBondContact O-N 2.83Å; N245-L248 PolarHBondContact O-N 2.91Å; N245-D249 VanDerWaalsContact O-CB 3.32Å; N245-D249 WeakPolarHBondContact O-CB 3.39Å; N245-D249 PolarHBondContact O-N 3.18Å; N245-E255 HydrophobicContact CB-CB 4.43Å; N245-E255 HydrophobicContact CB-CG 3.99Å; N245-E255 WeakPolarHBondContact OD1-CA 3.24Å; N245-D256 PolarHBondContact OD1-N 3.42Å; N245-D256 PolarHBondContact OD1-O 3.12Å; N245-N257 PolarHBondContact ND2-OD1 3.41Å
246	E	96.6	Very high	93.8	Very high	127 Å²	127	43.4 Å²	43.4	59%	0.593	22%	0.218	S	C	*	.	H	α-helix	trans	-58.5	-40.5	172.6	-72.5	170.1	-176.3	0	0	111.7	Q242 R243 I244 D250	Q242-E246 WeakPolarHBondContact O-CG 3.21Å; Q242-E246 PolarHBondContact O-N 2.87Å; R243-E246 PolarHBondContact O-N 2.9Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.5Å; E246-D250 VanDerWaalsContact O-CB 3.28Å; E246-D250 WeakPolarHBondContact O-CB 3.32Å; E246-D250 PolarHBondContact O-N 2.88Å
247	I	96.3	Very high	94	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-43.1	176.3	-62.4	165.1	0	0	0	111	R243 I244 N245 D249 K251 L294 Q297 F298 T301	R243-I247 PolarHBondContact O-N 3.3Å; I244-I247 WeakPolarHBondContact O-CB 3.39Å; I244-I247 PolarHBondContact O-N 3.43Å; I244-I247 VanDerWaalsContact O-N 3.14Å; N245-I247 VanDerWaalsContact C-N 3.27Å; N245-I247 PolarHBondContact O-N 2.83Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.98Å; I247-K251 HydrophobicContact CG2-CG 4.21Å; I247-K251 VanDerWaalsContact O-CB 3.26Å; I247-K251 WeakPolarHBondContact O-CB 3.24Å; I247-K251 VanDerWaalsContact O-CG 3.24Å; I247-K251 WeakPolarHBondContact O-CG 3.29Å; I247-K251 PolarHBondContact O-N 3.42Å; I247-L294 HydrophobicContact CG2-CD2 4.19Å; I247-Q297 HydrophobicContact CD1-CB 4.41Å; I247-F298 HydrophobicContact CB-CD1 4.21Å; I247-F298 HydrophobicContact CB-CE1 3.69Å; I247-F298 HydrophobicContact CD1-CD1 3.93Å; I247-F298 HydrophobicContact CD1-CE1 4.3Å; I247-F298 HydrophobicContact CG2-CD1 4.02Å; I247-F298 HydrophobicContact CG2-CE1 3.42Å; I247-F298 VanDerWaalsContact CG2-CE1 3.42Å; I247-F298 HydrophobicContact CG2-CZ 4.01Å; I247-T301 HydrophobicContact CD1-CG2 4.08Å; I247-T301 VanDerWaalsContact CD1-OG1 3.31Å; I247-T301 WeakPolarHBondContact CD1-OG1 3.39Å
248	L	95.3	Very high	94.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-42.6	177	-68.6	171	0	0	0	111.1	I244 N245 L252 G253 F254 L259 A260 F298	I244-L248 HydrophobicContact CG2-CD1 4Å; I244-L248 HydrophobicContact CG2-CG 4.31Å; I244-L248 WeakPolarHBondContact O-CG 3.25Å; I244-L248 PolarHBondContact O-N 3.22Å; N245-L248 PolarHBondContact O-N 2.91Å; L248-L252 HydrophobicContact CD2-CD1 3.95Å; L248-L252 CarbonylContact O-C 3.6Å; L248-L252 VanDerWaalsContact O-CA 3.3Å; L248-L252 WeakPolarHBondContact O-CA 3.42Å; L248-L252 VanDerWaalsContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.32Å; L248-L252 PolarHBondContact O-N 3.37Å; L248-G253 PolarHBondContact O-N 2.87Å; L248-F254 CarbonylContact C-O 3.57Å; L248-F254 HydrophobicContact CB-CD2 4.39Å; L248-F254 HydrophobicContact CB-CE2 4.29Å; L248-F254 VanDerWaalsContact CB-O 3.27Å; L248-F254 WeakPolarHBondContact CB-O 3.28Å; L248-F254 HydrophobicContact CD1-CE2 4.4Å; L248-F254 HydrophobicContact CD2-CE2 4.02Å; L248-F254 HydrophobicContact CD2-CZ 4.33Å; L248-F254 HydrophobicContact CG-CE2 4.48Å; L248-L259 HydrophobicContact CD1-CD2 3.87Å; L248-L259 HydrophobicContact CD1-CG 4.16Å; L248-L259 HydrophobicContact CD2-CD2 4.18Å; L248-A260 HydrophobicContact CD1-CB 4.38Å; L248-F298 HydrophobicContact CD2-CE1 4.18Å; L248-F298 HydrophobicContact CD2-CZ 3.6Å; L248-F298 HydrophobicContact CG-CE1 4.17Å; L248-F298 HydrophobicContact CG-CZ 4.1Å
249	D	95.7	Very high	94.1	Very high	45 Å²	45	39.6 Å²	39.6	24%	0.241	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-50.9	178.3	-175.5	45.6	0	0	0	111.1	T121 N245 I247 K251 G253 F254 E255	T121-D249 WeakPolarHBondContact CA-OD1 3.45Å; T121-D249 WeakPolarHBondContact CB-OD1 3.39Å; T121-D249 HydrophobicContact CG2-CB 4.43Å; T121-D249 WeakPolarHBondContact CG2-OD1 3.48Å; T121-D249 PolarHBondContact OG1-OD1 3.19Å; T121-D249 PolarHBondContact OG1-OD2 2.89Å; N245-D249 VanDerWaalsContact O-CB 3.32Å; N245-D249 WeakPolarHBondContact O-CB 3.39Å; N245-D249 PolarHBondContact O-N 3.18Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.98Å; D249-K251 VanDerWaalsContact C-N 3.29Å; D249-K251 PolarHBondContact O-N 2.97Å; D249-G253 VanDerWaalsContact O-CA 3.23Å; D249-G253 WeakPolarHBondContact O-CA 3.39Å; D249-G253 PolarHBondContact O-N 3.07Å; D249-F254 WeakPolarHBondContact CA-O 3.3Å; D249-F254 PolarHBondContact N-O 3.18Å; D249-F254 VanDerWaalsContact N-O 3.1Å; D249-E255 HydrophobicContact CB-CG 4.15Å
250	D	93.9	Very high	94.2	Very high	85 Å²	85	35.7 Å²	35.7	46%	0.455	18%	0.176	S	C	.	.	H	α-helix	trans	-62.3	-35.9	-178.1	-176.1	67.9	0	0	0	112.7	E246	E246-D250 VanDerWaalsContact O-CB 3.28Å; E246-D250 WeakPolarHBondContact O-CB 3.32Å; E246-D250 PolarHBondContact O-N 2.88Å
251	K	92.1	Very high	94.1	Very high	85 Å²	85	36.9 Å²	36.9	37%	0.37	18%	0.18	S	C	.	.	H	α-helix	trans	-99.3	-31.4	-171.9	-57.1	-61	-175.7	-145.1	0	113.9	I247 D249 L294	I247-K251 HydrophobicContact CG2-CG 4.21Å; I247-K251 VanDerWaalsContact O-CB 3.26Å; I247-K251 WeakPolarHBondContact O-CB 3.24Å; I247-K251 VanDerWaalsContact O-CG 3.24Å; I247-K251 WeakPolarHBondContact O-CG 3.29Å; I247-K251 PolarHBondContact O-N 3.42Å; D249-K251 VanDerWaalsContact C-N 3.29Å; D249-K251 PolarHBondContact O-N 2.97Å; K251-L294 HydrophobicContact CB-CD1 4.33Å; K251-L294 HydrophobicContact CB-CD2 3.75Å; K251-L294 HydrophobicContact CD-CD2 4.33Å; K251-L294 HydrophobicContact CG-CD2 3.55Å
252	L	92.9	Very high	94	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.115	19%	0.188	C	C	.	.	H	α-helix	trans	-123.1	-10.8	-173	-52.5	176.6	0	0	0	113.2	A175 Q179 L248 F254 L290 L294	A175-L252 WeakPolarHBondContact CB-O 3.39Å; Q179-L252 PolarHBondContact NE2-O 3.18Å; L248-L252 HydrophobicContact CD2-CD1 3.95Å; L248-L252 CarbonylContact O-C 3.6Å; L248-L252 VanDerWaalsContact O-CA 3.3Å; L248-L252 WeakPolarHBondContact O-CA 3.42Å; L248-L252 VanDerWaalsContact O-CB 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.32Å; L248-L252 PolarHBondContact O-N 3.37Å; L252-F254 HydrophobicContact CB-CD1 3.63Å; L252-F254 HydrophobicContact CB-CE1 3.3Å; L252-F254 HydrophobicContact CB-CZ 3.94Å; L252-F254 HydrophobicContact CD1-CE1 3.71Å; L252-F254 HydrophobicContact CD1-CE2 4.47Å; L252-F254 HydrophobicContact CD1-CZ 3.53Å; L252-F254 HydrophobicContact CG-CE1 4.12Å; L252-F254 HydrophobicContact CG-CZ 4.39Å; L252-L290 HydrophobicContact CD1-CD2 3.96Å; L252-L294 HydrophobicContact CD1-CD1 4.42Å; L252-L294 HydrophobicContact CD2-CD1 4.13Å; L252-L294 HydrophobicContact CG-CD1 4.36Å
253	G	94.2	Very high	93.9	Very high	18 Å²	18	34 Å²	34	19%	0.186	16%	0.164	C	C	.	.	S	Bend	trans	77.5	25.9	176.5	0	0	0	0	0	114.1	L122 L248 D249	L122-G253 PolarHBondContact N-O 2.84Å; L248-G253 PolarHBondContact O-N 2.87Å; D249-G253 VanDerWaalsContact O-CA 3.23Å; D249-G253 WeakPolarHBondContact O-CA 3.39Å; D249-G253 PolarHBondContact O-N 3.07Å
254	F	95.7	Very high	93.8	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-148.1	156.4	177.9	65.3	-106.7	0	0	0	113.7	L122 H171 Y172 A175 L248 D249 L252 L259 F288	L122-F254 HydrophobicContact CB-CB 4.29Å; L122-F254 CarbonylContact O-C 3.56Å; L122-F254 WeakPolarHBondContact O-CA 3.38Å; L122-F254 VanDerWaalsContact O-CB 3.24Å; L122-F254 WeakPolarHBondContact O-CB 3.23Å; H171-F254 HydrophobicContact CB-CB 4.41Å; H171-F254 WeakPolarHBondContact CD2-CB 3.37Å; H171-F254 AromaticContact CD2-CD1 3.84Å; H171-F254 AromaticContact CD2-CD2 3.23Å; H171-F254 WeakPolarHBondContact CD2-CD2 3.21Å; H171-F254 AromaticContact CD2-CE2 3.89Å; H171-F254 AromaticContact CD2-CG 3.21Å; H171-F254 WeakPolarHBondContact CD2-CG 3.44Å; H171-F254 AromaticContact NE2-CD2 3.29Å; H171-F254 VanDerWaalsContact NE2-CD2 3.29Å; H171-F254 WeakPolarHBondContact NE2-CD2 3.29Å; H171-F254 AromaticContact NE2-CE2 3.55Å; H171-F254 AromaticContact NE2-CG 3.79Å; Y172-F254 VanDerWaalsContact CB-CE1 3.49Å; A175-F254 HydrophobicContact CB-CD1 4.11Å; L248-F254 CarbonylContact C-O 3.57Å; L248-F254 HydrophobicContact CB-CD2 4.39Å; L248-F254 HydrophobicContact CB-CE2 4.29Å; L248-F254 VanDerWaalsContact CB-O 3.27Å; L248-F254 WeakPolarHBondContact CB-O 3.28Å; L248-F254 HydrophobicContact CD1-CE2 4.4Å; L248-F254 HydrophobicContact CD2-CE2 4.02Å; L248-F254 HydrophobicContact CD2-CZ 4.33Å; L248-F254 HydrophobicContact CG-CE2 4.48Å; D249-F254 WeakPolarHBondContact CA-O 3.3Å; D249-F254 PolarHBondContact N-O 3.18Å; D249-F254 VanDerWaalsContact N-O 3.1Å; L252-F254 HydrophobicContact CB-CD1 3.63Å; L252-F254 HydrophobicContact CB-CE1 3.3Å; L252-F254 HydrophobicContact CB-CZ 3.94Å; L252-F254 HydrophobicContact CD1-CE1 3.71Å; L252-F254 HydrophobicContact CD1-CE2 4.47Å; L252-F254 HydrophobicContact CD1-CZ 3.53Å; L252-F254 HydrophobicContact CG-CE1 4.12Å; L252-F254 HydrophobicContact CG-CZ 4.39Å; F254-L259 HydrophobicContact CE2-CD2 3.87Å; F254-L259 HydrophobicContact CZ-CD2 4.49Å; F254-F288 HydrophobicContact CZ-CZ 4.02Å
255	E	95.2	Very high	93.6	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.065	17%	0.172	C	C	.	.			trans	-117.9	136.3	167.8	-69.6	-179.7	-157.7	0	0	109.8	T121 L122 T123 K133 R134 N245 D249	T121-E255 HydrophobicContact CG2-CB 4.14Å; T121-E255 HydrophobicContact CG2-CG 3.57Å; L122-E255 PolarHBondContact O-N 2.96Å; T123-E255 WeakPolarHBondContact CB-O 3.29Å; T123-E255 PolarHBondContact OG1-O 3.08Å; K133-E255 HydrophobicContact CD-CB 4.48Å; K133-E255 WeakPolarHBondContact CE-OE2 3.44Å; K133-E255 IonicContact NZ-OE2 3.92Å; K133-E255 PolarHBondContact NZ-OE2 2.85Å; R134-E255 IonicContact CZ-OE1 3.37Å; R134-E255 IonicContact NH1-OE1 2.78Å; R134-E255 PolarHBondContact NH1-OE1 2.62Å; N245-E255 HydrophobicContact CB-CB 4.43Å; N245-E255 HydrophobicContact CB-CG 3.99Å; N245-E255 WeakPolarHBondContact OD1-CA 3.24Å; D249-E255 HydrophobicContact CB-CG 4.15Å
256	D	93.4	Very high	93.5	Very high	14 Å²	14	36.2 Å²	36.2	8%	0.075	18%	0.176	C	C	.	.			trans	-142.8	105.9	173.4	-178.7	-28.2	0	0	0	108.1	R170 H171 N245 E258 L259 A260	R170-D256 IonicContact NH2-OD2 3.52Å; R170-D256 PolarHBondContact NH2-OD2 2.9Å; R170-D256 VanDerWaalsContact NH2-OD2 3.13Å; H171-D256 IonicContact CE1-OD2 3.62Å; H171-D256 PolarHBondContact CE1-OD2 3.01Å; H171-D256 IonicContact NE2-OD2 3.98Å; N245-D256 PolarHBondContact OD1-N 3.42Å; N245-D256 PolarHBondContact OD1-O 3.12Å; D256-E258 VanDerWaalsContact C-N 3.28Å; D256-E258 PolarHBondContact O-N 3.28Å; D256-E258 WeakPolarHBondContact OD1-CA 3.26Å; D256-E258 WeakPolarHBondContact OD1-CB 3.41Å; D256-E258 PolarHBondContact OD1-N 2.89Å; D256-L259 HydrophobicContact CB-CB 3.81Å; D256-L259 HydrophobicContact CB-CD2 4.28Å; D256-L259 PolarHBondContact O-N 2.97Å; D256-L259 PolarHBondContact OD1-N 2.76Å; D256-A260 WeakPolarHBondContact O-CB 3.47Å; D256-A260 PolarHBondContact O-N 2.81Å
257	N	91.9	Very high	93.4	Very high	39 Å²	39	30.2 Å²	30.2	21%	0.209	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-31	-177.1	-70.7	-3.1	0	0	0	112.3	T89 Y90 I241 N245 F261	T89-N257 HydrophobicContact CG2-CB 4.27Å; Y90-N257 HydrophobicContact CD1-CB 4.37Å; Y90-N257 HydrophobicContact CE1-CB 3.57Å; Y90-N257 PolarHBondContact OH-O 3.45Å; I241-N257 HydrophobicContact CG2-CB 4.41Å; N245-N257 PolarHBondContact ND2-OD1 3.41Å; N257-F261 VanDerWaalsContact O-CB 3.22Å; N257-F261 WeakPolarHBondContact O-CB 3.4Å; N257-F261 PolarHBondContact O-N 3.15Å
258	E	89.8	Confident	93.3	Very high	61 Å²	61	34 Å²	34	29%	0.285	16%	0.163	S	C	.	.	H	α-helix	trans	-69.8	-48.8	-179.2	-171.3	-171.4	164.6	0	0	109.1	Y90 Q224 D256 F261 Y262	Y90-E258 HydrophobicContact CD1-CB 3.59Å; Y90-E258 HydrophobicContact CD1-CG 4.25Å; Y90-E258 HydrophobicContact CD2-CG 4.39Å; Y90-E258 HydrophobicContact CE1-CB 3.84Å; Y90-E258 HydrophobicContact CG-CB 4.03Å; Y90-E258 HydrophobicContact CG-CG 4.2Å; Q224-E258 PolarHBondContact NE2-OE1 3.48Å; Q224-E258 VanDerWaalsContact NE2-OE1 3.07Å; D256-E258 VanDerWaalsContact C-N 3.28Å; D256-E258 PolarHBondContact O-N 3.28Å; D256-E258 WeakPolarHBondContact OD1-CA 3.26Å; D256-E258 WeakPolarHBondContact OD1-CB 3.41Å; D256-E258 PolarHBondContact OD1-N 2.89Å; E258-F261 PolarHBondContact O-N 3.02Å; E258-Y262 WeakPolarHBondContact O-CB 3.23Å; E258-Y262 PolarHBondContact O-N 3.03Å
259	L	90.6	Very high	93.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-48.8	172.4	168.2	64	0	0	0	111.3	L248 F254 D256 F261 Y262 I263 F286 F288	L248-L259 HydrophobicContact CD1-CD2 3.87Å; L248-L259 HydrophobicContact CD1-CG 4.16Å; L248-L259 HydrophobicContact CD2-CD2 4.18Å; F254-L259 HydrophobicContact CE2-CD2 3.87Å; F254-L259 HydrophobicContact CZ-CD2 4.49Å; D256-L259 HydrophobicContact CB-CB 3.81Å; D256-L259 HydrophobicContact CB-CD2 4.28Å; D256-L259 PolarHBondContact O-N 2.97Å; D256-L259 PolarHBondContact OD1-N 2.76Å; L259-F261 PolarHBondContact O-N 3.19Å; L259-Y262 PolarHBondContact O-N 2.93Å; L259-I263 HydrophobicContact CD1-CD1 3.6Å; L259-I263 HydrophobicContact CD1-CG1 3.96Å; L259-I263 HydrophobicContact CG-CD1 3.85Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 2.94Å; L259-F286 HydrophobicContact CB-CE1 4.27Å; L259-F286 HydrophobicContact CB-CZ 4.41Å; L259-F286 HydrophobicContact CD1-CD1 4.06Å; L259-F286 HydrophobicContact CD1-CD2 3.87Å; L259-F286 HydrophobicContact CD1-CE1 3.44Å; L259-F286 VanDerWaalsContact CD1-CE1 3.44Å; L259-F286 HydrophobicContact CD1-CE2 3.21Å; L259-F286 HydrophobicContact CD1-CG 4.28Å; L259-F286 HydrophobicContact CD1-CZ 3Å; L259-F286 HydrophobicContact CG-CE1 4.36Å; L259-F286 HydrophobicContact CG-CZ 4.25Å; L259-F288 HydrophobicContact CD2-CZ 4.38Å
260	A	93.6	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-42.2	-177.4	0	0	0	0	0	112	I241 I244 L248 D256 I263 Y264	I241-A260 HydrophobicContact CG2-CB 3.93Å; I244-A260 HydrophobicContact CB-CB 4.07Å; I244-A260 VanDerWaalsContact CD1-O 3.27Å; I244-A260 WeakPolarHBondContact CD1-O 3.48Å; I244-A260 HydrophobicContact CG2-CB 3.72Å; L248-A260 HydrophobicContact CD1-CB 4.38Å; D256-A260 WeakPolarHBondContact O-CB 3.47Å; D256-A260 PolarHBondContact O-N 2.81Å; A260-I263 PolarHBondContact O-N 3.19Å; A260-Y264 WeakPolarHBondContact O-CB 3.43Å; A260-Y264 PolarHBondContact O-N 3.45Å
261	F	91.8	Very high	93	Very high	28 Å²	28	39.5 Å²	39.5	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-43	173.6	174.6	-103.8	0	0	0	112.4	Y90 R221 I241 N257 E258 L259 Y264 K265	Y90-F261 WeakPolarHBondContact OH-CB 3.15Å; R221-F261 VanDerWaalsContact CZ-CZ 3.5Å; I241-F261 HydrophobicContact CD1-CB 4.01Å; I241-F261 HydrophobicContact CD1-CD2 3.82Å; I241-F261 HydrophobicContact CD1-CG 4.38Å; I241-F261 HydrophobicContact CG1-CB 3.97Å; I241-F261 HydrophobicContact CG1-CD2 4.21Å; N257-F261 VanDerWaalsContact O-CB 3.22Å; N257-F261 WeakPolarHBondContact O-CB 3.4Å; N257-F261 PolarHBondContact O-N 3.15Å; E258-F261 PolarHBondContact O-N 3.02Å; L259-F261 PolarHBondContact O-N 3.19Å; F261-Y264 WeakPolarHBondContact O-CB 3.27Å; F261-Y264 PolarHBondContact O-N 3.29Å; F261-K265 HydrophobicContact CD2-CG 4.43Å; F261-K265 HydrophobicContact CE1-CG 4.01Å; F261-K265 HydrophobicContact CE2-CD 4.26Å; F261-K265 HydrophobicContact CE2-CG 3.97Å; F261-K265 HydrophobicContact CZ-CD 4.12Å; F261-K265 HydrophobicContact CZ-CG 3.73Å; F261-K265 WeakPolarHBondContact O-CG 3.4Å; F261-K265 PolarHBondContact O-N 2.9Å
262	Y	90.4	Very high	93.1	Very high	68 Å²	68	38.7 Å²	38.7	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-62.8	-46.6	177.4	-177.4	-93.3	0	0	0	111.9	E258 L259 Y264 K265 L266 L285 F286	E258-Y262 WeakPolarHBondContact O-CB 3.23Å; E258-Y262 PolarHBondContact O-N 3.03Å; L259-Y262 PolarHBondContact O-N 2.93Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 2.97Å; Y262-K265 PolarHBondContact O-N 2.94Å; Y262-L266 HydrophobicContact CD1-CD1 3.94Å; Y262-L266 HydrophobicContact CD1-CG 4.32Å; Y262-L266 HydrophobicContact CE1-CD1 3.12Å; Y262-L266 HydrophobicContact CE1-CG 3.73Å; Y262-L266 HydrophobicContact CE2-CG 4.47Å; Y262-L266 PolarHBondContact O-N 3.35Å; Y262-L285 HydrophobicContact CD1-CD1 4.23Å; Y262-L285 HydrophobicContact CE1-CD1 3.22Å; Y262-L285 HydrophobicContact CE1-CD2 4.1Å; Y262-L285 HydrophobicContact CE1-CG 4.18Å; Y262-L285 HydrophobicContact CE2-CD2 4.36Å; Y262-L285 WeakPolarHBondContact OH-CD1 3.45Å; Y262-F286 HydrophobicContact CD1-CZ 4.44Å
263	I	93.5	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-44.3	173.7	-68.3	170	0	0	0	110.2	I244 L259 A260 K265 L266 A267 I280 L290 F298	I244-I263 HydrophobicContact CD1-CB 4.11Å; I244-I263 HydrophobicContact CD1-CG2 3.82Å; I244-I263 HydrophobicContact CG1-CG2 4.33Å; I244-I263 HydrophobicContact CG2-CB 4.25Å; I244-I263 HydrophobicContact CG2-CD1 4.09Å; I244-I263 HydrophobicContact CG2-CG2 4.18Å; L259-I263 HydrophobicContact CD1-CD1 3.6Å; L259-I263 HydrophobicContact CD1-CG1 3.96Å; L259-I263 HydrophobicContact CG-CD1 3.85Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 2.94Å; A260-I263 PolarHBondContact O-N 3.19Å; I263-K265 PolarHBondContact O-N 3.19Å; I263-L266 PolarHBondContact O-N 3.05Å; I263-A267 WeakPolarHBondContact O-CB 3.39Å; I263-A267 PolarHBondContact O-N 2.85Å; I263-I280 HydrophobicContact CG1-CD1 4.14Å; I263-I280 HydrophobicContact CG2-CD1 4.42Å; I263-L290 HydrophobicContact CD1-CD1 4.39Å; I263-F298 HydrophobicContact CD1-CD2 4.3Å; I263-F298 HydrophobicContact CD1-CE2 4.12Å; I263-F298 HydrophobicContact CD1-CZ 4.35Å; I263-F298 HydrophobicContact CG2-CB 3.77Å; I263-F298 HydrophobicContact CG2-CD1 4.38Å; I263-F298 HydrophobicContact CG2-CD2 4.09Å; I263-F298 HydrophobicContact CG2-CG 3.85Å
264	Y	94.6	Very high	93.1	Very high	16 Å²	16	43.3 Å²	43.3	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-50.6	178.7	173.4	-100.5	0	0	0	111.8	E237 I244 A260 F261 Y262 A267 K268 V302	E237-Y264 HydrophobicContact CB-CE1 4.07Å; E237-Y264 HydrophobicContact CG-CE1 3.76Å; I244-Y264 HydrophobicContact CD1-CD2 4.48Å; A260-Y264 WeakPolarHBondContact O-CB 3.43Å; A260-Y264 PolarHBondContact O-N 3.45Å; F261-Y264 WeakPolarHBondContact O-CB 3.27Å; F261-Y264 PolarHBondContact O-N 3.29Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 2.97Å; Y264-A267 PolarHBondContact O-N 2.92Å; Y264-K268 HydrophobicContact CE1-CG 4.22Å; Y264-K268 HydrophobicContact CE2-CG 4.07Å; Y264-K268 PolarHBondContact O-N 3.38Å; Y264-K268 WeakPolarHBondContact OH-CE 3.24Å; Y264-V302 HydrophobicContact CD2-CG1 3.96Å; Y264-V302 HydrophobicContact CD2-CG2 3.95Å; Y264-V302 HydrophobicContact CE2-CG1 3.99Å
265	K	92.6	Very high	92.9	Very high	85 Å²	85	45 Å²	45	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-46.8	-179.6	-72.4	-66.7	-170.7	176.4	0	111.8	E237 F261 Y262 I263 A267 K268 S269	E237-K265 VanDerWaalsContact CD-NZ 3.34Å; E237-K265 IonicContact OE1-NZ 3.52Å; E237-K265 PolarHBondContact OE1-NZ 2.92Å; E237-K265 IonicContact OE2-NZ 3.53Å; F261-K265 HydrophobicContact CD2-CG 4.43Å; F261-K265 HydrophobicContact CE1-CG 4.01Å; F261-K265 HydrophobicContact CE2-CD 4.26Å; F261-K265 HydrophobicContact CE2-CG 3.97Å; F261-K265 HydrophobicContact CZ-CD 4.12Å; F261-K265 HydrophobicContact CZ-CG 3.73Å; F261-K265 WeakPolarHBondContact O-CG 3.4Å; F261-K265 PolarHBondContact O-N 2.9Å; Y262-K265 PolarHBondContact O-N 2.94Å; I263-K265 PolarHBondContact O-N 3.19Å; K265-A267 VanDerWaalsContact C-N 3.35Å; K265-A267 PolarHBondContact O-N 2.81Å; K265-K268 PolarHBondContact O-N 3.05Å; K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 VanDerWaalsContact O-N 3.11Å; K265-S269 PolarHBondContact O-OG 3.01Å
266	L	93.2	Very high	92.8	Very high	22 Å²	22	44.4 Å²	44.4	12%	0.115	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-42	176.4	-74.8	-172.6	0	0	0	112.3	Y262 I263 K268 S269 S270 L276 H279 I280	Y262-L266 HydrophobicContact CD1-CD1 3.94Å; Y262-L266 HydrophobicContact CD1-CG 4.32Å; Y262-L266 HydrophobicContact CE1-CD1 3.12Å; Y262-L266 HydrophobicContact CE1-CG 3.73Å; Y262-L266 HydrophobicContact CE2-CG 4.47Å; Y262-L266 PolarHBondContact O-N 3.35Å; I263-L266 PolarHBondContact O-N 3.05Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.99Å; L266-S269 WeakPolarHBondContact CA-OG 3.48Å; L266-S269 PolarHBondContact O-N 3.07Å; L266-S269 PolarHBondContact O-OG 3.27Å; L266-S270 VanDerWaalsContact O-CB 3.23Å; L266-S270 WeakPolarHBondContact O-CB 3.46Å; L266-S270 PolarHBondContact O-N 3.41Å; L266-S270 PolarHBondContact O-OG 3.35Å; L266-L276 HydrophobicContact CB-CD1 3.51Å; L266-L276 HydrophobicContact CD1-CD1 4.37Å; L266-H279 HydrophobicContact CD1-CB 3.77Å; L266-H279 HydrophobicContact CD2-CB 4.17Å; L266-I280 HydrophobicContact CD1-CG1 3.79Å
267	A	95	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-43.3	179.4	0	0	0	0	0	110.8	I263 Y264 K265 S269 S270 L276 V302 N303	I263-A267 WeakPolarHBondContact O-CB 3.39Å; I263-A267 PolarHBondContact O-N 2.85Å; Y264-A267 PolarHBondContact O-N 2.92Å; K265-A267 VanDerWaalsContact C-N 3.35Å; K265-A267 PolarHBondContact O-N 2.81Å; A267-S269 VanDerWaalsContact C-N 3.33Å; A267-S269 PolarHBondContact O-N 2.93Å; A267-S270 WeakPolarHBondContact CA-OG 3.36Å; A267-S270 PolarHBondContact O-N 2.87Å; A267-S270 PolarHBondContact O-OG 3.49Å; A267-L276 HydrophobicContact CB-CD1 4.32Å; A267-L276 HydrophobicContact CB-CD2 3.94Å; A267-V302 HydrophobicContact CB-CB 3.85Å; A267-V302 HydrophobicContact CB-CG1 3.83Å; A267-V302 HydrophobicContact CB-CG2 3.94Å; A267-N303 PolarHBondContact O-ND2 3.27Å
268	K	94.5	Very high	92.6	Very high	102 Å²	102	47.7 Å²	47.7	44%	0.443	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-33.2	174.7	-76.9	-61	-171.4	-167.1	0	113.6	Y264 K265 L266 V302	Y264-K268 HydrophobicContact CE1-CG 4.22Å; Y264-K268 HydrophobicContact CE2-CG 4.07Å; Y264-K268 PolarHBondContact O-N 3.38Å; Y264-K268 WeakPolarHBondContact OH-CE 3.24Å; K265-K268 PolarHBondContact O-N 3.05Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 2.99Å; K268-V302 HydrophobicContact CD-CG1 3.55Å; K268-V302 HydrophobicContact CG-CG1 3.62Å; K268-V302 PolarHBondContact NZ-O 3.36Å
269	S	92.6	Very high	92.4	Very high	83 Å²	83	48.4 Å²	48.4	58%	0.58	24%	0.243	S	C	*	.	H	α-helix	trans	-84.9	-13.1	177.3	60.3	0	0	0	0	114.1	K265 L266 A267	K265-S269 PolarHBondContact O-N 3.29Å; K265-S269 VanDerWaalsContact O-N 3.11Å; K265-S269 PolarHBondContact O-OG 3.01Å; L266-S269 WeakPolarHBondContact CA-OG 3.48Å; L266-S269 PolarHBondContact O-N 3.07Å; L266-S269 PolarHBondContact O-OG 3.27Å; A267-S269 VanDerWaalsContact C-N 3.33Å; A267-S269 PolarHBondContact O-N 2.93Å
270	S	93.7	Very high	92.2	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.049	24%	0.242	C	C	.	.			trans	-91	135.2	-174.4	66	0	0	0	0	112.9	L266 A267 N272 D275 W299	L266-S270 VanDerWaalsContact O-CB 3.23Å; L266-S270 WeakPolarHBondContact O-CB 3.46Å; L266-S270 PolarHBondContact O-N 3.41Å; L266-S270 PolarHBondContact O-OG 3.35Å; A267-S270 WeakPolarHBondContact CA-OG 3.36Å; A267-S270 PolarHBondContact O-N 2.87Å; A267-S270 PolarHBondContact O-OG 3.49Å; S270-N272 VanDerWaalsContact C-N 3.33Å; S270-N272 PolarHBondContact O-N 3.39Å; S270-D275 VanDerWaalsContact CA-OD2 3.25Å; S270-D275 WeakPolarHBondContact CA-OD2 3.31Å; S270-D275 WeakPolarHBondContact CB-OD2 3.32Å; S270-W299 PolarHBondContact O-NE1 2.98Å; S270-W299 VanDerWaalsContact O-NE1 3.12Å; S270-W299 PolarHBondContact OG-NE1 3.48Å
271	M	92.4	Very high	91.8	Very high	158 Å²	158	49.8 Å²	49.8	78%	0.778	25%	0.25	S	S	*	.	S	Bend	trans	-71.2	-28.3	-177.3	-71.6	-67.4	-66.8	0	0	113.2	D275 W299	M271-D275 PolarHBondContact N-OD2 3.42Å; M271-D275 VanDerWaalsContact N-OD2 3.07Å; M271-W299 WeakPolarHBondContact O-CZ2 3.41Å
272	N	94	Very high	91.1	Very high	67 Å²	67	55 Å²	55	36%	0.358	27%	0.273	S	S	.	.	S	Bend	trans	-159.3	167.6	-177.2	60.1	69.1	0	0	0	110.9	S270 N274 D275 L276	S270-N272 VanDerWaalsContact C-N 3.33Å; S270-N272 PolarHBondContact O-N 3.39Å; N272-N274 PolarHBondContact O-N 2.99Å; N272-N274 WeakPolarHBondContact OD1-CA 3.46Å; N272-N274 WeakPolarHBondContact OD1-CB 3.18Å; N272-N274 PolarHBondContact OD1-N 3.36Å; N272-D275 WeakPolarHBondContact O-CB 3.41Å; N272-D275 PolarHBondContact O-N 3.39Å; N272-D275 VanDerWaalsContact O-N 3.13Å; N272-D275 PolarHBondContact OD1-N 3.43Å; N272-L276 PolarHBondContact O-N 3.49Å
273	P	93.8	Very high	90.1	Very high	30 Å²	30	56.2 Å²	56.2	20%	0.195	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-29.5	179.4	-29.1	36.4	0	0	0	115.7	L276 D277 R296 W299	P273-L276 PolarHBondContact O-N 3.21Å; P273-D277 PolarHBondContact O-N 3.46Å; P273-R296 HydrophobicContact CB-CB 4.26Å; P273-R296 HydrophobicContact CB-CG 4.32Å; P273-R296 HydrophobicContact CG-CG 4.16Å; P273-W299 HydrophobicContact CB-CB 4.27Å; P273-W299 HydrophobicContact CB-CG 4.39Å; P273-W299 HydrophobicContact CG-CB 4Å; P273-W299 HydrophobicContact CG-CD2 3.73Å; P273-W299 HydrophobicContact CG-CE3 3.68Å; P273-W299 HydrophobicContact CG-CG 3.86Å; P273-W299 HydrophobicContact CG-CZ3 4.44Å
274	N	92.7	Very high	89	Confident	107 Å²	107	63 Å²	63	57%	0.572	31%	0.313	S	S	*	.	H	α-helix	trans	-72.9	-35.6	179.5	-65.6	-32.3	0	0	0	111.1	N272 D277 Q278	N272-N274 PolarHBondContact O-N 2.99Å; N272-N274 WeakPolarHBondContact OD1-CA 3.46Å; N272-N274 WeakPolarHBondContact OD1-CB 3.18Å; N272-N274 PolarHBondContact OD1-N 3.36Å; N274-D277 PolarHBondContact O-N 3.18Å; N274-Q278 WeakPolarHBondContact O-CG 3.28Å; N274-Q278 PolarHBondContact O-N 2.98Å
275	D	92.5	Very high	87.6	Confident	42 Å²	42	64.7 Å²	64.7	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-46	173.1	-172	34.5	0	0	0	110.7	S270 M271 N272 D277 Q278 H279	S270-D275 VanDerWaalsContact CA-OD2 3.25Å; S270-D275 WeakPolarHBondContact CA-OD2 3.31Å; S270-D275 WeakPolarHBondContact CB-OD2 3.32Å; M271-D275 PolarHBondContact N-OD2 3.42Å; M271-D275 VanDerWaalsContact N-OD2 3.07Å; N272-D275 WeakPolarHBondContact O-CB 3.41Å; N272-D275 PolarHBondContact O-N 3.39Å; N272-D275 VanDerWaalsContact O-N 3.13Å; N272-D275 PolarHBondContact OD1-N 3.43Å; D275-D277 PolarHBondContact O-N 3.13Å; D275-Q278 WeakPolarHBondContact O-CB 3.26Å; D275-Q278 PolarHBondContact O-N 3.19Å; D275-H279 PolarHBondContact O-CD2 2.86Å; D275-H279 VanDerWaalsContact O-CD2 3.22Å; D275-H279 PolarHBondContact O-N 3Å; D275-H279 VanDerWaalsContact O-N 3.08Å; D275-H279 IonicContact OD1-CD2 2.56Å; D275-H279 IonicContact OD1-NE2 3.54Å
276	L	93.4	Very high	86.4	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-43.1	173.2	-174.5	59.9	0	0	0	112.8	L266 A267 N272 P273 Q278 H279 I280 I295 F298 W299	L266-L276 HydrophobicContact CB-CD1 3.51Å; L266-L276 HydrophobicContact CD1-CD1 4.37Å; A267-L276 HydrophobicContact CB-CD1 4.32Å; A267-L276 HydrophobicContact CB-CD2 3.94Å; N272-L276 PolarHBondContact O-N 3.49Å; P273-L276 PolarHBondContact O-N 3.21Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.22Å; L276-H279 PolarHBondContact O-N 3.08Å; L276-I280 HydrophobicContact CD1-CD1 3.65Å; L276-I280 HydrophobicContact CD1-CG1 3.97Å; L276-I280 HydrophobicContact CD2-CD1 4.23Å; L276-I280 HydrophobicContact CG-CD1 3.68Å; L276-I280 HydrophobicContact CG-CG1 4.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 2.85Å; L276-I295 HydrophobicContact CB-CG2 4.06Å; L276-I295 HydrophobicContact CD2-CG2 3.95Å; L276-I295 HydrophobicContact CG-CG2 3.87Å; L276-F298 HydrophobicContact CD2-CB 4.4Å; L276-W299 HydrophobicContact CD2-CB 3.8Å; L276-W299 HydrophobicContact CD2-CG 4.48Å
277	D	91.4	Very high	85.5	Confident	26 Å²	26	65.9 Å²	65.9	14%	0.139	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-42.7	176.6	-179.8	39.3	0	0	0	111.7	P273 N274 D275 H279 N281 K292 I295	P273-D277 PolarHBondContact O-N 3.46Å; N274-D277 PolarHBondContact O-N 3.18Å; D275-D277 PolarHBondContact O-N 3.13Å; D277-H279 VanDerWaalsContact C-N 3.35Å; D277-H279 PolarHBondContact O-N 3.17Å; D277-N281 WeakPolarHBondContact O-CB 3.32Å; D277-N281 PolarHBondContact O-N 3.02Å; D277-N281 PolarHBondContact OD1-ND2 3.28Å; D277-K292 WeakPolarHBondContact OD2-CE 3.39Å; D277-I295 HydrophobicContact CB-CD1 4.08Å; D277-I295 HydrophobicContact CB-CG2 3.98Å; D277-I295 WeakPolarHBondContact OD1-CD1 3.15Å
278	Q	87.8	Confident	84.5	Confident	97 Å²	97	66.5 Å²	66.5	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.8	-67.9	-169.5	33.2	0	0	111.6	N274 D275 L276 K282	N274-Q278 WeakPolarHBondContact O-CG 3.28Å; N274-Q278 PolarHBondContact O-N 2.98Å; D275-Q278 WeakPolarHBondContact O-CB 3.26Å; D275-Q278 PolarHBondContact O-N 3.19Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.22Å; Q278-K282 HydrophobicContact CB-CD 3.98Å; Q278-K282 HydrophobicContact CG-CD 4.3Å; Q278-K282 WeakPolarHBondContact O-CB 3.04Å; Q278-K282 VanDerWaalsContact O-CG 3.24Å; Q278-K282 WeakPolarHBondContact O-CG 3.09Å; Q278-K282 PolarHBondContact O-N 3.32Å
279	H	87.1	Confident	84	Confident	75 Å²	75	66.4 Å²	66.4	35%	0.347	34%	0.338	S	S	.	.	H	α-helix	trans	-69.7	-41.5	-179.9	-76.9	-69.9	0	0	0	113.6	L266 D275 L276 D277 N283	L266-H279 HydrophobicContact CD1-CB 3.77Å; L266-H279 HydrophobicContact CD2-CB 4.17Å; D275-H279 PolarHBondContact O-CD2 2.86Å; D275-H279 VanDerWaalsContact O-CD2 3.22Å; D275-H279 PolarHBondContact O-N 3Å; D275-H279 VanDerWaalsContact O-N 3.08Å; D275-H279 IonicContact OD1-CD2 2.56Å; D275-H279 IonicContact OD1-NE2 3.54Å; L276-H279 PolarHBondContact O-N 3.08Å; D277-H279 VanDerWaalsContact C-N 3.35Å; D277-H279 PolarHBondContact O-N 3.17Å; H279-N283 WeakPolarHBondContact O-CB 3.43Å; H279-N283 PolarHBondContact O-ND2 2.92Å
280	I	86.9	Confident	83.7	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-74.9	-52.7	-177.5	-64.4	172.7	0	0	0	111.2	I263 L266 L276 F286 L290	I263-I280 HydrophobicContact CG1-CD1 4.14Å; I263-I280 HydrophobicContact CG2-CD1 4.42Å; L266-I280 HydrophobicContact CD1-CG1 3.79Å; L276-I280 HydrophobicContact CD1-CD1 3.65Å; L276-I280 HydrophobicContact CD1-CG1 3.97Å; L276-I280 HydrophobicContact CD2-CD1 4.23Å; L276-I280 HydrophobicContact CG-CD1 3.68Å; L276-I280 HydrophobicContact CG-CG1 4.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 2.85Å; I280-F286 HydrophobicContact CG2-CE2 4.45Å; I280-L290 HydrophobicContact CG2-CD1 3.92Å
281	N	84.3	Confident	83.5	Confident	31 Å²	31	63.9 Å²	63.9	17%	0.166	32%	0.32	C	S	.	.	H	α-helix	trans	-85.4	-28.6	-169.2	-77.7	-31.7	0	0	0	113.6	D277 I289 L290 I295	D277-N281 WeakPolarHBondContact O-CB 3.32Å; D277-N281 PolarHBondContact O-N 3.02Å; D277-N281 PolarHBondContact OD1-ND2 3.28Å; N281-I289 HydrophobicContact CB-CG2 4.46Å; N281-L290 PolarHBondContact ND2-O 3.32Å; N281-L290 PolarHBondContact OD1-N 3.46Å; N281-I295 WeakPolarHBondContact ND2-CD1 3.45Å
282	K	77.7	Confident	83.5	Confident	137 Å²	137	63.3 Å²	63.3	60%	0.596	31%	0.313	S	S	*	.	H	α-helix	trans	-75.5	-34.2	178.5	-62.9	178	173.7	175.4	0	112.5	Q278 K284	Q278-K282 HydrophobicContact CB-CD 3.98Å; Q278-K282 HydrophobicContact CG-CD 4.3Å; Q278-K282 WeakPolarHBondContact O-CB 3.04Å; Q278-K282 VanDerWaalsContact O-CG 3.24Å; Q278-K282 WeakPolarHBondContact O-CG 3.09Å; Q278-K282 PolarHBondContact O-N 3.32Å; K282-K284 PolarHBondContact O-N 2.87Å
283	N	69.7	Low	83.5	Confident	93 Å²	93	65.3 Å²	65.3	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.9	-179.5	-69.4	-29	0	0	0	112.8	H279 L285	H279-N283 WeakPolarHBondContact O-CB 3.43Å; H279-N283 PolarHBondContact O-ND2 2.92Å; N283-L285 HydrophobicContact CB-CD1 3.86Å; N283-L285 HydrophobicContact CB-CD2 4.3Å; N283-L285 HydrophobicContact CB-CG 3.72Å; N283-L285 PolarHBondContact O-N 3.43Å
284	K	68.4	Low	83.5	Confident	142 Å²	142	63.9 Å²	63.9	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	42.4	-178.3	-63	-174	177.2	-173.7	0	112.3	K282 F286	K282-K284 PolarHBondContact O-N 2.87Å; K284-F286 PolarHBondContact O-N 3.03Å
285	L	65.6	Low	83.5	Confident	52 Å²	52	58.8 Å²	58.8	27%	0.272	28%	0.28	S	S	.	.			trans	-61.5	-20.9	-177.3	-65.9	144.6	0	0	0	111.6	Y262 N283	Y262-L285 HydrophobicContact CD1-CD1 4.23Å; Y262-L285 HydrophobicContact CE1-CD1 3.22Å; Y262-L285 HydrophobicContact CE1-CD2 4.1Å; Y262-L285 HydrophobicContact CE1-CG 4.18Å; Y262-L285 HydrophobicContact CE2-CD2 4.36Å; Y262-L285 WeakPolarHBondContact OH-CD1 3.45Å; N283-L285 HydrophobicContact CB-CD1 3.86Å; N283-L285 HydrophobicContact CB-CD2 4.3Å; N283-L285 HydrophobicContact CB-CG 3.72Å; N283-L285 PolarHBondContact O-N 3.43Å
286	F	67.7	Low	83.7	Confident	30 Å²	30	63.8 Å²	63.8	13%	0.132	30%	0.295	C	S	.	.	S	Bend	trans	-127.7	154.5	176.8	-46.9	-69	0	0	0	109.6	L259 Y262 I280 K284 F288	L259-F286 HydrophobicContact CB-CE1 4.27Å; L259-F286 HydrophobicContact CB-CZ 4.41Å; L259-F286 HydrophobicContact CD1-CD1 4.06Å; L259-F286 HydrophobicContact CD1-CD2 3.87Å; L259-F286 HydrophobicContact CD1-CE1 3.44Å; L259-F286 VanDerWaalsContact CD1-CE1 3.44Å; L259-F286 HydrophobicContact CD1-CE2 3.21Å; L259-F286 HydrophobicContact CD1-CG 4.28Å; L259-F286 HydrophobicContact CD1-CZ 3Å; L259-F286 HydrophobicContact CG-CE1 4.36Å; L259-F286 HydrophobicContact CG-CZ 4.25Å; Y262-F286 HydrophobicContact CD1-CZ 4.44Å; I280-F286 HydrophobicContact CG2-CE2 4.45Å; K284-F286 PolarHBondContact O-N 3.03Å; F286-F288 HydrophobicContact CB-CD1 3.65Å; F286-F288 HydrophobicContact CB-CE1 3.57Å; F286-F288 HydrophobicContact CB-CG 4.26Å; F286-F288 HydrophobicContact CB-CZ 4.13Å; F286-F288 HydrophobicContact CG-CE1 4.09Å; F286-F288 HydrophobicContact CG-CZ 4.31Å; F286-F288 PolarHBondContact O-N 3.35Å
287	D	73.5	Confident	83.8	Confident	102 Å²	102	66.9 Å²	66.9	55%	0.545	31%	0.31	S	S	.	.	S	Bend	trans	-68.4	8.4	174.7	-64.5	-27.3	0	0	0	112.9	Y172 H173	Y172-D287 HydrophobicContact CE2-CB 4.3Å; Y172-D287 PolarHBondContact OH-OD2 3.39Å; H173-D287 IonicContact CE1-OD2 3.58Å
288	F	75.9	Confident	84	Confident	14 Å²	14	65.7 Å²	65.7	6%	0.061	30%	0.304	C	S	.	.	S	Bend	trans	-138.2	152.8	-179.8	66.4	-87.8	0	0	0	112.7	V6 Y172 F254 L259 F286 L290	V6-F288 HydrophobicContact CG1-CB 3.42Å; V6-F288 VanDerWaalsContact CG1-CB 3.42Å; V6-F288 HydrophobicContact CG1-CG 4.47Å; Y172-F288 HydrophobicContact CD1-CD1 4.31Å; Y172-F288 AromaticContact CD1-CE1 3.72Å; Y172-F288 HydrophobicContact CD1-CE1 3.72Å; Y172-F288 AromaticContact CD2-CD1 3.75Å; Y172-F288 HydrophobicContact CD2-CD1 3.75Å; Y172-F288 AromaticContact CD2-CE1 3.97Å; Y172-F288 HydrophobicContact CD2-CE1 3.97Å; Y172-F288 HydrophobicContact CE1-CD1 4.46Å; Y172-F288 HydrophobicContact CE1-CE1 4.04Å; Y172-F288 AromaticContact CE2-CD1 3.91Å; Y172-F288 HydrophobicContact CE2-CD1 3.91Å; Y172-F288 HydrophobicContact CE2-CE1 4.27Å; Y172-F288 AromaticContact CG-CD1 3.97Å; Y172-F288 HydrophobicContact CG-CD1 3.97Å; Y172-F288 AromaticContact CG-CE1 3.69Å; Y172-F288 HydrophobicContact CG-CE1 3.69Å; F254-F288 HydrophobicContact CZ-CZ 4.02Å; L259-F288 HydrophobicContact CD2-CZ 4.38Å; F286-F288 HydrophobicContact CB-CD1 3.65Å; F286-F288 HydrophobicContact CB-CE1 3.57Å; F286-F288 HydrophobicContact CB-CG 4.26Å; F286-F288 HydrophobicContact CB-CZ 4.13Å; F286-F288 HydrophobicContact CG-CE1 4.09Å; F286-F288 HydrophobicContact CG-CZ 4.31Å; F286-F288 PolarHBondContact O-N 3.35Å; F288-L290 HydrophobicContact CD2-CD2 4.32Å; F288-L290 HydrophobicContact CD2-CG 4.22Å; F288-L290 HydrophobicContact CE2-CD1 4.43Å; F288-L290 HydrophobicContact CE2-CD2 3.66Å; F288-L290 HydrophobicContact CE2-CG 3.73Å
289	I	82.9	Confident	84.5	Confident	100 Å²	100	63.2 Å²	63.2	51%	0.513	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-95.7	126.5	175.5	-60.8	175.3	0	0	0	108.5	N281	N281-I289 HydrophobicContact CB-CG2 4.46Å
290	L	86.9	Confident	84.9	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-79.6	129.1	173.9	-80.7	166.9	0	0	0	110.5	L252 I263 I280 N281 F288 L294 I295 F298	L252-L290 HydrophobicContact CD1-CD2 3.96Å; I263-L290 HydrophobicContact CD1-CD1 4.39Å; I280-L290 HydrophobicContact CG2-CD1 3.92Å; N281-L290 PolarHBondContact ND2-O 3.32Å; N281-L290 PolarHBondContact OD1-N 3.46Å; F288-L290 HydrophobicContact CD2-CD2 4.32Å; F288-L290 HydrophobicContact CD2-CG 4.22Å; F288-L290 HydrophobicContact CE2-CD1 4.43Å; F288-L290 HydrophobicContact CE2-CD2 3.66Å; F288-L290 HydrophobicContact CE2-CG 3.73Å; L290-L294 HydrophobicContact CD2-CD1 4.25Å; L290-I295 HydrophobicContact CB-CD1 3.93Å; L290-I295 HydrophobicContact CB-CG1 3.94Å; L290-I295 WeakPolarHBondContact O-CD1 3.08Å; L290-F298 HydrophobicContact CD1-CE2 4.02Å; L290-F298 HydrophobicContact CD2-CE2 4.31Å
291	P	89.6	Confident	85.2	Confident	34 Å²	34	64.7 Å²	64.7	22%	0.221	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-54.2	139.4	172.3	-26.4	31.4	0	0	0	113.1	Y293 L294 I295	P291-Y293 HydrophobicContact CB-CD1 3.48Å; P291-Y293 VanDerWaalsContact CB-CD1 3.48Å; P291-Y293 HydrophobicContact CB-CE1 3.31Å; P291-Y293 HydrophobicContact CG-CE1 3.89Å; P291-Y293 PolarHBondContact O-N 3.37Å; P291-Y293 VanDerWaalsContact O-N 3.1Å; P291-L294 HydrophobicContact CB-CG 4.46Å; P291-L294 HydrophobicContact CG-CD1 4.19Å; P291-L294 WeakPolarHBondContact O-CB 3.33Å; P291-L294 PolarHBondContact O-N 3.05Å; P291-I295 PolarHBondContact O-N 2.81Å; P291-I295 VanDerWaalsContact O-N 3.16Å
292	K	91.5	Very high	85.7	Confident	146 Å²	146	63.6 Å²	63.6	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-54.1	-34.5	179.9	-68.9	-170.5	174.1	-169.9	0	114.1	D277 L294 I295 R296	D277-K292 WeakPolarHBondContact OD2-CE 3.39Å; K292-L294 VanDerWaalsContact C-N 3.35Å; K292-I295 PolarHBondContact O-N 2.94Å; K292-R296 PolarHBondContact O-N 3.06Å
293	Y	93.9	Very high	86.4	Confident	108 Å²	108	59.4 Å²	59.4	42%	0.424	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-36.4	178.6	80.1	-92.4	0	0	0	112	P291 R296 Q297	P291-Y293 HydrophobicContact CB-CD1 3.48Å; P291-Y293 VanDerWaalsContact CB-CD1 3.48Å; P291-Y293 HydrophobicContact CB-CE1 3.31Å; P291-Y293 HydrophobicContact CG-CE1 3.89Å; P291-Y293 PolarHBondContact O-N 3.37Å; P291-Y293 VanDerWaalsContact O-N 3.1Å; Y293-R296 PolarHBondContact O-N 2.69Å; Y293-Q297 WeakPolarHBondContact O-CG 3.34Å; Y293-Q297 PolarHBondContact O-N 3.27Å
294	L	93.9	Very high	87.1	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-42.5	174.6	-70.2	-178.7	0	0	0	110.8	I247 K251 L252 L290 P291 K292 R296 Q297 F298	I247-L294 HydrophobicContact CG2-CD2 4.19Å; K251-L294 HydrophobicContact CB-CD1 4.33Å; K251-L294 HydrophobicContact CB-CD2 3.75Å; K251-L294 HydrophobicContact CD-CD2 4.33Å; K251-L294 HydrophobicContact CG-CD2 3.55Å; L252-L294 HydrophobicContact CD1-CD1 4.42Å; L252-L294 HydrophobicContact CD2-CD1 4.13Å; L252-L294 HydrophobicContact CG-CD1 4.36Å; L290-L294 HydrophobicContact CD2-CD1 4.25Å; P291-L294 HydrophobicContact CB-CG 4.46Å; P291-L294 HydrophobicContact CG-CD1 4.19Å; P291-L294 WeakPolarHBondContact O-CB 3.33Å; P291-L294 PolarHBondContact O-N 3.05Å; K292-L294 VanDerWaalsContact C-N 3.35Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.41Å; L294-Q297 CarbonylContact O-C 3.47Å; L294-Q297 WeakPolarHBondContact O-CA 3.18Å; L294-Q297 WeakPolarHBondContact O-CB 3.34Å; L294-Q297 PolarHBondContact O-N 3.19Å; L294-F298 HydrophobicContact CB-CE2 4.07Å; L294-F298 HydrophobicContact CB-CZ 4.46Å; L294-F298 VanDerWaalsContact O-CD2 3.23Å; L294-F298 WeakPolarHBondContact O-CD2 3.39Å; L294-F298 WeakPolarHBondContact O-CG 3.49Å; L294-F298 PolarHBondContact O-N 2.95Å
295	I	93.9	Very high	86.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-42	177.1	-65.5	165.6	0	0	0	111.3	L276 D277 N281 L290 P291 K292 Q297 F298 W299	L276-I295 HydrophobicContact CB-CG2 4.06Å; L276-I295 HydrophobicContact CD2-CG2 3.95Å; L276-I295 HydrophobicContact CG-CG2 3.87Å; D277-I295 HydrophobicContact CB-CD1 4.08Å; D277-I295 HydrophobicContact CB-CG2 3.98Å; D277-I295 WeakPolarHBondContact OD1-CD1 3.15Å; N281-I295 WeakPolarHBondContact ND2-CD1 3.45Å; L290-I295 HydrophobicContact CB-CD1 3.93Å; L290-I295 HydrophobicContact CB-CG1 3.94Å; L290-I295 WeakPolarHBondContact O-CD1 3.08Å; P291-I295 PolarHBondContact O-N 2.81Å; P291-I295 VanDerWaalsContact O-N 3.16Å; K292-I295 PolarHBondContact O-N 2.94Å; I295-Q297 VanDerWaalsContact C-N 3.34Å; I295-Q297 PolarHBondContact O-N 3.16Å; I295-F298 PolarHBondContact O-N 3.1Å; I295-W299 PolarHBondContact O-N 2.76Å
296	R	95.3	Very high	87.9	Confident	146 Å²	146	59.9 Å²	59.9	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-60.1	-43.5	172.5	-175.8	-179.8	176.8	-163.3	1.5	112	P273 K292 Y293 L294 W299 Q300	P273-R296 HydrophobicContact CB-CB 4.26Å; P273-R296 HydrophobicContact CB-CG 4.32Å; P273-R296 HydrophobicContact CG-CG 4.16Å; K292-R296 PolarHBondContact O-N 3.06Å; Y293-R296 PolarHBondContact O-N 2.69Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.41Å; R296-W299 PolarHBondContact O-N 3.5Å; R296-Q300 HydrophobicContact CG-CG 4.42Å; R296-Q300 WeakPolarHBondContact O-CB 3.46Å; R296-Q300 VanDerWaalsContact O-CG 3.27Å; R296-Q300 WeakPolarHBondContact O-CG 3.34Å; R296-Q300 PolarHBondContact O-N 3.19Å
297	Q	96.3	Very high	88.9	Confident	66 Å²	66	61.4 Å²	61.4	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-43.8	176.7	-74.8	178.9	-14.9	0	0	112	I247 Y293 L294 I295 W299 Q300 T301	I247-Q297 HydrophobicContact CD1-CB 4.41Å; Y293-Q297 WeakPolarHBondContact O-CG 3.34Å; Y293-Q297 PolarHBondContact O-N 3.27Å; L294-Q297 CarbonylContact O-C 3.47Å; L294-Q297 WeakPolarHBondContact O-CA 3.18Å; L294-Q297 WeakPolarHBondContact O-CB 3.34Å; L294-Q297 PolarHBondContact O-N 3.19Å; I295-Q297 VanDerWaalsContact C-N 3.34Å; I295-Q297 PolarHBondContact O-N 3.16Å; Q297-W299 PolarHBondContact O-N 3.39Å; Q297-Q300 PolarHBondContact O-N 2.96Å; Q297-T301 VanDerWaalsContact O-CB 3.25Å; Q297-T301 WeakPolarHBondContact O-CB 3.33Å; Q297-T301 PolarHBondContact O-N 3.06Å; Q297-T301 PolarHBondContact O-OG1 3.36Å
298	F	96.1	Very high	89.8	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-49.5	174.9	-62.8	-45.9	0	0	0	111.5	I244 I247 L248 I263 L276 L290 L294 I295 Q300 T301 V302	I244-F298 HydrophobicContact CB-CD1 4.47Å; I244-F298 HydrophobicContact CG1-CD1 4.29Å; I244-F298 HydrophobicContact CG2-CD1 3.92Å; I244-F298 HydrophobicContact CG2-CE1 3.89Å; I247-F298 HydrophobicContact CB-CD1 4.21Å; I247-F298 HydrophobicContact CB-CE1 3.69Å; I247-F298 HydrophobicContact CD1-CD1 3.93Å; I247-F298 HydrophobicContact CD1-CE1 4.3Å; I247-F298 HydrophobicContact CG2-CD1 4.02Å; I247-F298 HydrophobicContact CG2-CE1 3.42Å; I247-F298 VanDerWaalsContact CG2-CE1 3.42Å; I247-F298 HydrophobicContact CG2-CZ 4.01Å; L248-F298 HydrophobicContact CD2-CE1 4.18Å; L248-F298 HydrophobicContact CD2-CZ 3.6Å; L248-F298 HydrophobicContact CG-CE1 4.17Å; L248-F298 HydrophobicContact CG-CZ 4.1Å; I263-F298 HydrophobicContact CD1-CD2 4.3Å; I263-F298 HydrophobicContact CD1-CE2 4.12Å; I263-F298 HydrophobicContact CD1-CZ 4.35Å; I263-F298 HydrophobicContact CG2-CB 3.77Å; I263-F298 HydrophobicContact CG2-CD1 4.38Å; I263-F298 HydrophobicContact CG2-CD2 4.09Å; I263-F298 HydrophobicContact CG2-CG 3.85Å; L276-F298 HydrophobicContact CD2-CB 4.4Å; L290-F298 HydrophobicContact CD1-CE2 4.02Å; L290-F298 HydrophobicContact CD2-CE2 4.31Å; L294-F298 HydrophobicContact CB-CE2 4.07Å; L294-F298 HydrophobicContact CB-CZ 4.46Å; L294-F298 VanDerWaalsContact O-CD2 3.23Å; L294-F298 WeakPolarHBondContact O-CD2 3.39Å; L294-F298 WeakPolarHBondContact O-CG 3.49Å; L294-F298 PolarHBondContact O-N 2.95Å; I295-F298 PolarHBondContact O-N 3.1Å; F298-Q300 PolarHBondContact O-N 2.94Å; F298-T301 PolarHBondContact O-N 3.03Å; F298-V302 WeakPolarHBondContact O-CG2 3.43Å; F298-V302 PolarHBondContact O-N 3.36Å; F298-V302 VanDerWaalsContact O-N 3.13Å
299	W	96.4	Very high	90.6	Very high	44 Å²	44	61.8 Å²	61.8	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-46.2	179.4	-171.8	89.5	0	0	0	112.3	S270 M271 P273 L276 I295 R296 Q297 T301 V302 N303	S270-W299 PolarHBondContact O-NE1 2.98Å; S270-W299 VanDerWaalsContact O-NE1 3.12Å; S270-W299 PolarHBondContact OG-NE1 3.48Å; M271-W299 WeakPolarHBondContact O-CZ2 3.41Å; P273-W299 HydrophobicContact CB-CB 4.27Å; P273-W299 HydrophobicContact CB-CG 4.39Å; P273-W299 HydrophobicContact CG-CB 4Å; P273-W299 HydrophobicContact CG-CD2 3.73Å; P273-W299 HydrophobicContact CG-CE3 3.68Å; P273-W299 HydrophobicContact CG-CG 3.86Å; P273-W299 HydrophobicContact CG-CZ3 4.44Å; L276-W299 HydrophobicContact CD2-CB 3.8Å; L276-W299 HydrophobicContact CD2-CG 4.48Å; I295-W299 PolarHBondContact O-N 2.76Å; R296-W299 PolarHBondContact O-N 3.5Å; Q297-W299 PolarHBondContact O-N 3.39Å; W299-T301 PolarHBondContact O-N 2.81Å; W299-V302 PolarHBondContact O-N 2.78Å; W299-N303 HydrophobicContact CD2-CB 4.36Å; W299-N303 HydrophobicContact CE3-CB 4.49Å; W299-N303 HydrophobicContact CH2-CB 4.25Å; W299-N303 HydrophobicContact CZ2-CB 4.1Å; W299-N303 HydrophobicContact CZ3-CB 4.44Å; W299-N303 PolarHBondContact NE1-ND2 2.81Å; W299-N303 VanDerWaalsContact NE1-ND2 3.18Å; W299-N303 WeakPolarHBondContact O-CB 3.33Å; W299-N303 PolarHBondContact O-N 3Å; W299-N303 PolarHBondContact O-ND2 3.44Å
300	Q	95.8	Very high	91.1	Very high	73 Å²	73	59.4 Å²	59.4	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-41.8	179	-73.7	176.5	-39.2	0	0	111.9	R296 Q297 F298 V302 N303 C304	R296-Q300 HydrophobicContact CG-CG 4.42Å; R296-Q300 WeakPolarHBondContact O-CB 3.46Å; R296-Q300 VanDerWaalsContact O-CG 3.27Å; R296-Q300 WeakPolarHBondContact O-CG 3.34Å; R296-Q300 PolarHBondContact O-N 3.19Å; Q297-Q300 PolarHBondContact O-N 2.96Å; F298-Q300 PolarHBondContact O-N 2.94Å; Q300-V302 PolarHBondContact O-N 2.68Å; Q300-N303 PolarHBondContact O-N 2.94Å; Q300-C304 WeakPolarHBondContact O-CA 3.36Å; Q300-C304 VanDerWaalsContact O-CB 3.27Å; Q300-C304 WeakPolarHBondContact O-CB 3.14Å; Q300-C304 PolarHBondContact O-N 3.48Å
301	T	94.6	Very high	91.4	Very high	35 Å²	35	63.2 Å²	63.2	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-29.1	179.2	-59.1	0	0	0	0	112.2	R243 I247 Q297 F298 W299 I305	R243-T301 HydrophobicContact CB-CG2 3.53Å; R243-T301 HydrophobicContact CG-CG2 4.27Å; I247-T301 HydrophobicContact CD1-CG2 4.08Å; I247-T301 VanDerWaalsContact CD1-OG1 3.31Å; I247-T301 WeakPolarHBondContact CD1-OG1 3.39Å; Q297-T301 VanDerWaalsContact O-CB 3.25Å; Q297-T301 WeakPolarHBondContact O-CB 3.33Å; Q297-T301 PolarHBondContact O-N 3.06Å; Q297-T301 PolarHBondContact O-OG1 3.36Å; F298-T301 PolarHBondContact O-N 3.03Å; W299-T301 PolarHBondContact O-N 2.81Å; T301-I305 WeakPolarHBondContact O-CD1 3.36Å
302	V	93.7	Very high	91.5	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-90.1	-33.2	-179.8	173.9	0	0	0	0	112.9	I244 Y264 A267 K268 F298 W299 Q300	I244-V302 HydrophobicContact CD1-CG2 3.94Å; I244-V302 HydrophobicContact CG1-CG2 4.27Å; Y264-V302 HydrophobicContact CD2-CG1 3.96Å; Y264-V302 HydrophobicContact CD2-CG2 3.95Å; Y264-V302 HydrophobicContact CE2-CG1 3.99Å; A267-V302 HydrophobicContact CB-CB 3.85Å; A267-V302 HydrophobicContact CB-CG1 3.83Å; A267-V302 HydrophobicContact CB-CG2 3.94Å; K268-V302 HydrophobicContact CD-CG1 3.55Å; K268-V302 HydrophobicContact CG-CG1 3.62Å; K268-V302 PolarHBondContact NZ-O 3.36Å; F298-V302 WeakPolarHBondContact O-CG2 3.43Å; F298-V302 PolarHBondContact O-N 3.36Å; F298-V302 VanDerWaalsContact O-N 3.13Å; W299-V302 PolarHBondContact O-N 2.78Å; Q300-V302 PolarHBondContact O-N 2.68Å
303	N	92.8	Very high	91.5	Very high	50 Å²	50	59.1 Å²	59.1	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-116.4	-10.7	-168.4	-66.7	-52.6	0	0	0	115.7	A267 W299 Q300	A267-N303 PolarHBondContact O-ND2 3.27Å; W299-N303 HydrophobicContact CD2-CB 4.36Å; W299-N303 HydrophobicContact CE3-CB 4.49Å; W299-N303 HydrophobicContact CH2-CB 4.25Å; W299-N303 HydrophobicContact CZ2-CB 4.1Å; W299-N303 HydrophobicContact CZ3-CB 4.44Å; W299-N303 PolarHBondContact NE1-ND2 2.81Å; W299-N303 VanDerWaalsContact NE1-ND2 3.18Å; W299-N303 WeakPolarHBondContact O-CB 3.33Å; W299-N303 PolarHBondContact O-N 3Å; W299-N303 PolarHBondContact O-ND2 3.44Å; Q300-N303 PolarHBondContact O-N 2.94Å
304	C	83.4	Confident	91.3	Very high	85 Å²	85	55 Å²	55	57%	0.574	27%	0.271	S	S	*	.			trans	-110.5	22.6	-177.5	-58	0	0	0	0	113.6	Q300	Q300-C304 WeakPolarHBondContact O-CA 3.36Å; Q300-C304 VanDerWaalsContact O-CB 3.27Å; Q300-C304 WeakPolarHBondContact O-CB 3.14Å; Q300-C304 PolarHBondContact O-N 3.48Å
305	I	63.5	Low	91.1	Very high	151 Å²	151	60 Å²	60	77%	0.774	30%	0.296	S	S	*	.			trans	-107.8	0	170.6	-53.2	178.9	0	0	0	107.3	T301	T301-I305 WeakPolarHBondContact O-CD1 3.36Å

Retrieved 305 of 305 residues in 119.8 ms (Link to these results)

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