A0A061IGH2_CRIGR Loading...

Protein disulfide-isomerase-like protein of the testis

Probable redox-inactive chaperone involved in spermatogenesis.

AlphaFold DB , UniProt , Accession A0A061IGH2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pdilt, Length 589 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	35	Very low	30.7	Very low	222 Å²	222	154.7 Å²	154.7	100%	1.094	77%	0.773	S	S	*	*				0	79.9	0	-59.6	-159.7	-67.9	0	0	107.2
2	E	31.7	Very low	30.3	Very low	169 Å²	169	149.4 Å²	149.4	79%	0.79	77%	0.771	S	S	*	*			cis	61.2	140.3	31.8	-65.3	-173.6	131.4	0	0	112.8
3	L	33.6	Very low	30.1	Very low	116 Å²	116	145.5 Å²	145.5	61%	0.607	77%	0.774	S	S	*	*			cis	-158.2	175.4	11.1	-128.3	167.2	0	0	0	112.6
4	F	29.2	Very low	29.7	Very low	140 Å²	140	140.9 Å²	140.9	61%	0.614	78%	0.779	S	S	*	*			trans	70.1	153.6	167.3	-62.9	-59.6	0	0	0	117.2
5	W	26.1	Very low	29.4	Very low	212 Å²	212	141.8 Å²	141.8	80%	0.803	78%	0.781	S	S	*	*			cis	-132.1	175.1	-0.9	-108.4	127.3	0	0	0	112
6	M	27.3	Very low	29.2	Very low	166 Å²	166	140.3 Å²	140.3	82%	0.818	78%	0.783	S	S	*	*			trans	-158.4	-177.2	177.3	-115	-162.4	179.5	0	0	106.7
7	P	48.6	Very low	29.1	Very low	97 Å²	97	141.5 Å²	141.5	63%	0.63	78%	0.782	S	S	*	*			cis	-129.9	-166.3	-41.2	38.7	-23.3	0	0	0	110.5
8	L	24.6	Very low	29	Very low	166 Å²	166	141.3 Å²	141.3	87%	0.869	79%	0.785	S	S	*	*			trans	-141.7	140.9	142.5	-141.3	93.5	0	0	0	113.1
9	L	27.3	Very low	29	Very low	130 Å²	130	142.6 Å²	142.6	68%	0.681	79%	0.789	S	S	*	*			trans	-38.4	144	-178.2	-79.4	85.6	0	0	0	118.1
10	L	26.9	Very low	28.7	Very low	151 Å²	151	139 Å²	139	79%	0.791	79%	0.786	S	S	*	*				62.9	139.2	76.3	-80.4	157.4	0	0	0	112.7
11	V	27.3	Very low	28.6	Very low	133 Å²	133	137.9 Å²	137.9	81%	0.806	79%	0.787	S	S	*	*			cis	-139.3	179.6	9.1	-131.7	0	0	0	0	107.7
12	A	26.1	Very low	28.3	Very low	91 Å²	91	133 Å²	133	75%	0.752	77%	0.772	S	S	*	*			cis	-152.1	162.6	20.8	0	0	0	0	0	112.6
13	A	28	Very low	28.1	Very low	98 Å²	98	128.2 Å²	128.2	81%	0.81	77%	0.768	S	S	*	*			trans	-95.7	149.2	166.2	0	0	0	0	0	111.1
14	G	23.6	Very low	28	Very low	82 Å²	82	129.7 Å²	129.7	85%	0.845	78%	0.775	S	S	*	*			trans	-131.1	87.8	170.2	0	0	0	0	0	110
15	L	25.3	Very low	28.1	Very low	154 Å²	154	131 Å²	131	81%	0.806	79%	0.789	S	S	*	*			trans	-75.4	142.3	173.7	-79.8	164.9	0	0	0	110.5
16	S	27.5	Very low	29	Very low	117 Å²	117	127 Å²	127	82%	0.818	79%	0.788	S	S	*	*			trans	-147.8	94.1	155.8	-162.5	0	0	0	0	108.2
17	E	27.2	Very low	29.4	Very low	162 Å²	162	122.1 Å²	122.1	76%	0.757	78%	0.78	S	S	*	*			trans	-80.7	132.1	172.8	-66.8	-179.2	118.4	0	0	109.9
18	V	27	Very low	29.2	Very low	138 Å²	138	122.9 Å²	122.9	84%	0.836	78%	0.778	S	S	*	*			trans	-129.7	119.3	156.6	-179.4	0	0	0	0	107.2
19	L	28.7	Very low	29.9	Very low	165 Å²	165	122.7 Å²	122.7	86%	0.864	78%	0.778	S	S	*	*			trans	-73.9	139.8	-174.1	-70.7	156.8	0	0	0	111.5
20	G	23.2	Very low	31.3	Very low	71 Å²	71	118.6 Å²	118.6	73%	0.732	76%	0.756	S	S	*	*			trans	-158.3	40.5	-167.1	0	0	0	0	0	117.9
21	S	27	Very low	33.2	Very low	115 Å²	115	115.7 Å²	115.7	80%	0.804	75%	0.748	S	S	*	*			trans	73.3	142.7	171.8	-155.2	0	0	0	0	117	G23	S21-G23 PolarHBondContact O-N 3.36Å
22	P	28.7	Very low	35.5	Very low	120 Å²	120	116.4 Å²	116.4	78%	0.779	74%	0.743	S	S	*	*			trans	-79	102.1	177	31.5	-33.8	0	0	0	111.7
23	G	26.3	Very low	38.1	Very low	68 Å²	68	112.7 Å²	112.7	70%	0.701	71%	0.711	S	S	*	*			trans	-61.3	137.3	161.9	0	0	0	0	0	110.6	S21 D25	S21-G23 PolarHBondContact O-N 3.36Å; G23-D25 PolarHBondContact O-N 3.49Å
24	I	31.5	Very low	40.9	Very low	148 Å²	148	110.3 Å²	110.3	76%	0.759	69%	0.687	S	S	*	*			trans	-77.3	113	175.9	-65.9	173.4	0	0	0	108.3	T26	I24-T26 HydrophobicContact CG2-CG2 3.85Å; I24-T26 PolarHBondContact O-N 3.03Å
25	D	33.1	Very low	44	Very low	168 Å²	168	109.8 Å²	109.8	90%	0.898	66%	0.662	S	S	*	*			trans	-70.3	76.5	175.2	-94.1	-34.9	0	0	0	111.7	G23	G23-D25 PolarHBondContact O-N 3.49Å
26	T	44.1	Very low	47.1	Very low	128 Å²	128	103.7 Å²	103.7	79%	0.785	63%	0.63	S	S	*	*			trans	-115.7	47.5	166.1	50.3	0	0	0	0	110.7	I24	I24-T26 HydrophobicContact CG2-CG2 3.85Å; I24-T26 PolarHBondContact O-N 3.03Å
27	G	35.1	Very low	50.1	Low	63 Å²	63	103.5 Å²	103.5	65%	0.649	62%	0.617	S	S	*	*			trans	-103.5	105.5	176.2	0	0	0	0	0	112.5	N29	G27-N29 PolarHBondContact O-N 3.5Å
28	L	44.1	Very low	53.2	Low	113 Å²	113	98.6 Å²	98.6	59%	0.592	59%	0.594	S	S	*	*			trans	-62.9	107.4	154.3	-86.1	165.3	0	0	0	107	I30 F353	L28-I30 PolarHBondContact O-N 2.62Å; L28-F353 HydrophobicContact CD1-CD1 4.28Å
29	N	40.5	Very low	56.2	Low	162 Å²	162	95.3 Å²	95.3	87%	0.866	57%	0.572	S	S	*	*			trans	-73.5	75.5	-172.4	-166.6	-5	0	0	0	111.6	G27 S31	G27-N29 PolarHBondContact O-N 3.5Å; N29-S31 PolarHBondContact O-N 2.95Å
30	I	56	Low	59.1	Low	43 Å²	43	94.3 Å²	94.3	22%	0.221	56%	0.563	C	S	.	*			trans	-79.3	110.1	173	-60.4	175	0	0	0	107.1	L28 Q32 M295	L28-I30 PolarHBondContact O-N 2.62Å; I30-Q32 PolarHBondContact O-N 3.44Å; I30-M295 HydrophobicContact CD1-CE 3.79Å; I30-M295 HydrophobicContact CD1-SD 4.19Å; I30-M295 HydrophobicContact CG1-CE 4.25Å
31	S	67.4	Low	62.4	Low	91 Å²	91	92.8 Å²	92.8	64%	0.636	54%	0.538	S	S	*	.			trans	-56.2	132.4	173	49.8	0	0	0	0	110.6	N29 P33 R291	N29-S31 PolarHBondContact O-N 2.95Å; S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.45Å; S31-P33 VanDerWaalsContact O-N 3.09Å; S31-R291 PolarHBondContact O-NH1 2.66Å
32	Q	75.1	Confident	65.7	Low	148 Å²	148	87.4 Å²	87.4	69%	0.692	50%	0.5	S	S	*	.			trans	-57.5	115.4	-174	-173.3	171.3	-1.7	0	0	109.9	I30	I30-Q32 PolarHBondContact O-N 3.44Å
33	P	81.5	Confident	68.9	Low	12 Å²	12	83.1 Å²	83.1	8%	0.078	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-68	148.5	-179.2	21.8	-28.4	0	0	0	112.2	S31 H35 S287 I288	S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.45Å; S31-P33 VanDerWaalsContact O-N 3.09Å; P33-H35 PolarHBondContact O-N 3.13Å; P33-S287 VanDerWaalsContact CG-CB 3.48Å; P33-S287 WeakPolarHBondContact CG-OG 3.42Å; P33-I288 HydrophobicContact CG-CG1 3.87Å
34	V	86.8	Confident	72.2	Confident	49 Å²	49	83 Å²	83	30%	0.297	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-60.6	128.6	168	-175.9	0	0	0	0	108.3	I36 A48 Q52	V34-I36 HydrophobicContact CG1-CG1 4.23Å; V34-A48 HydrophobicContact CG2-CB 3.93Å; V34-Q52 PolarHBondContact O-NE2 3.23Å
35	H	88.3	Confident	75.3	Confident	70 Å²	70	76 Å²	76	32%	0.324	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-73.7	131.6	168.2	178.8	74.2	0	0	0	109.4	P33 N282 S283	P33-H35 PolarHBondContact O-N 3.13Å; H35-N282 PolarHBondContact CE1-O 2.8Å; H35-S283 PolarHBondContact CE1-O 3.04Å; H35-S283 PolarHBondContact ND1-O 3.11Å
36	I	90.8	Very high	78.3	Confident	26 Å²	26	70.8 Å²	70.8	13%	0.133	39%	0.394	C	S	.	.			trans	-130.2	116.4	-174.8	-59.9	176.2	0	0	0	107.3	V34 M43 L45 T53	V34-I36 HydrophobicContact CG1-CG1 4.23Å; I36-M43 HydrophobicContact CG2-CB 3.78Å; I36-M43 HydrophobicContact CG2-CG 4.03Å; I36-M43 HydrophobicContact CG2-SD 4.5Å; I36-L45 HydrophobicContact CD1-CD2 4.39Å; I36-L45 HydrophobicContact CG2-CD2 4.14Å; I36-T53 WeakPolarHBondContact CD1-OG1 3.24Å
37	M	90.1	Very high	80.7	Confident	113 Å²	113	66.5 Å²	66.5	56%	0.557	37%	0.368	S	S	*	.			trans	-77.6	141.5	177.9	-61.2	-178.2	74.7	0	0	111.1	M43 V44	M37-M43 WeakPolarHBondContact O-CA 3.49Å; M37-V44 PolarHBondContact O-N 2.96Å
38	E	91.3	Very high	83.5	Confident	59 Å²	59	66 Å²	66	28%	0.276	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.1	167.5	-71.5	-175.4	169.6	0	0	109.8	M43 K281 N282	E38-M43 HydrophobicContact CG-CG 4.1Å; E38-K281 VanDerWaalsContact OE1-CE 3.26Å; E38-K281 WeakPolarHBondContact OE1-CE 3.24Å; E38-K281 IonicContact OE1-NZ 3.51Å; E38-K281 PolarHBondContact OE1-NZ 2.9Å; E38-K281 VanDerWaalsContact OE2-CE 3.32Å; E38-K281 WeakPolarHBondContact OE2-CE 3.48Å; E38-K281 IonicContact OE2-NZ 3.74Å; E38-K281 PolarHBondContact OE2-NZ 2.84Å; E38-N282 PolarHBondContact N-OD1 2.85Å
39	D	91.2	Very high	85.9	Confident	70 Å²	70	60.6 Å²	60.6	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.9	177.7	171.1	42	0	0	0	110.3	N41 L42 V44 K97	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 PolarHBondContact O-N 2.92Å; D39-L42 PolarHBondContact N-O 2.8Å; D39-L42 PolarHBondContact O-N 2.92Å; D39-L42 VanDerWaalsContact O-N 3.11Å; D39-V44 HydrophobicContact CB-CG2 4.07Å; D39-K97 VanDerWaalsContact CG-NZ 3.34Å; D39-K97 PolarHBondContact O-NZ 3.32Å; D39-K97 IonicContact OD2-NZ 3.68Å; D39-K97 PolarHBondContact OD2-NZ 3.39Å
40	H	89.5	Confident	88.6	Confident	143 Å²	143	52.9 Å²	52.9	66%	0.662	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	49.3	-172.3	-66.8	72.6	0	0	0	113	L42 G80	H40-L42 PolarHBondContact O-N 2.95Å; H40-G80 WeakPolarHBondContact O-CA 3.39Å
41	N	92.2	Very high	90.4	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.214	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	12.4	-176.9	-50.4	-29.6	0	0	0	115.3	D39 G80 A83 E84 K88	D39-N41 VanDerWaalsContact C-N 3.34Å; D39-N41 PolarHBondContact O-N 2.92Å; N41-G80 WeakPolarHBondContact CB-O 3.49Å; N41-G80 PolarHBondContact ND2-O 2.88Å; N41-A83 HydrophobicContact CB-CB 4.29Å; N41-E84 PolarHBondContact ND2-OE2 2.98Å; N41-K88 WeakPolarHBondContact OD1-CE 3.22Å; N41-K88 PolarHBondContact OD1-NZ 2.75Å
42	L	96.1	Very high	91.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.3	178.6	-59.9	-179.6	0	0	0	110.9	D39 H40 V44 I63 A76 L79 F95 K97	D39-L42 PolarHBondContact N-O 2.8Å; D39-L42 PolarHBondContact O-N 2.92Å; D39-L42 VanDerWaalsContact O-N 3.11Å; H40-L42 PolarHBondContact O-N 2.95Å; L42-V44 PolarHBondContact O-N 3.04Å; L42-I63 HydrophobicContact CD1-CG2 4.4Å; L42-A76 HydrophobicContact CD1-CB 4.15Å; L42-A76 WeakPolarHBondContact CD1-O 3.32Å; L42-L79 HydrophobicContact CD1-CB 4.41Å; L42-L79 HydrophobicContact CD1-CD2 4.33Å; L42-L79 HydrophobicContact CD2-CB 4.31Å; L42-L79 HydrophobicContact CD2-CD2 3.9Å; L42-L79 HydrophobicContact CD2-CG 3.86Å; L42-F95 HydrophobicContact CD2-CB 3.58Å; L42-K97 HydrophobicContact CB-CB 4.49Å; L42-K97 HydrophobicContact CB-CD 3.88Å; L42-K97 HydrophobicContact CB-CG 4.2Å; L42-K97 HydrophobicContact CD1-CB 4.32Å; L42-K97 HydrophobicContact CD1-CD 4.01Å
43	M	95.7	Very high	92.6	Very high	30 Å²	30	43 Å²	43	15%	0.148	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	130.4	170.7	-71.4	176.1	-78.7	0	0	110.9	I36 M37 E38 L45 T53 L60 F95 G96 K97	I36-M43 HydrophobicContact CG2-CB 3.78Å; I36-M43 HydrophobicContact CG2-CG 4.03Å; I36-M43 HydrophobicContact CG2-SD 4.5Å; M37-M43 WeakPolarHBondContact O-CA 3.49Å; E38-M43 HydrophobicContact CG-CG 4.1Å; M43-L45 HydrophobicContact CB-CD2 3.82Å; M43-L45 HydrophobicContact CB-CG 4.22Å; M43-L45 PolarHBondContact O-N 3.01Å; M43-T53 HydrophobicContact CE-CG2 3.64Å; M43-T53 HydrophobicContact SD-CG2 3.8Å; M43-L60 HydrophobicContact CE-CD1 4Å; M43-F95 VanDerWaalsContact CE-O 3.25Å; M43-F95 WeakPolarHBondContact CE-O 3.42Å; M43-F95 PolarHBondContact N-O 3.02Å; M43-G96 CarbonylContact O-C 3.59Å; M43-G96 WeakPolarHBondContact O-CA 3.32Å; M43-K97 PolarHBondContact O-N 2.99Å
44	V	96.1	Very high	93.2	Very high	65 Å²	65	42.7 Å²	42.7	39%	0.394	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106.6	172.3	-177.5	0	0	0	0	108.6	M37 D39 L42	M37-V44 PolarHBondContact O-N 2.96Å; D39-V44 HydrophobicContact CB-CG2 4.07Å; L42-V44 PolarHBondContact O-N 3.04Å
45	L	96.9	Very high	93.5	Very high	3 Å²	3	47 Å²	47	2%	0.016	26%	0.257	C	S	.	.			trans	-102	106.6	-170	-61.8	-178.3	0	0	0	112.3	I36 M43 L50 L60 V62 K97 V98	I36-L45 HydrophobicContact CD1-CD2 4.39Å; I36-L45 HydrophobicContact CG2-CD2 4.14Å; M43-L45 HydrophobicContact CB-CD2 3.82Å; M43-L45 HydrophobicContact CB-CG 4.22Å; M43-L45 PolarHBondContact O-N 3.01Å; L45-L50 HydrophobicContact CB-CB 4.32Å; L45-L50 HydrophobicContact CD1-CD1 3.95Å; L45-L60 HydrophobicContact CD1-CD2 4.48Å; L45-V62 HydrophobicContact CD1-CG1 4.33Å; L45-V62 HydrophobicContact CD1-CG2 4.05Å; L45-K97 PolarHBondContact N-O 2.75Å; L45-V98 HydrophobicContact CB-CG2 3.96Å
46	T	95.7	Very high	93.6	Very high	57 Å²	57	47.5 Å²	47.5	35%	0.35	26%	0.259	S	S	.	.			trans	-76.2	174.8	161.6	66.6	0	0	0	0	110.6	A48 G49 L50 E103	T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 3.19Å; T46-G49 PolarHBondContact O-N 3Å; T46-G49 VanDerWaalsContact O-N 3.17Å; T46-G49 PolarHBondContact OG1-N 3.08Å; T46-L50 WeakPolarHBondContact O-CB 3.35Å; T46-L50 PolarHBondContact O-N 3.19Å; T46-E103 WeakPolarHBondContact CA-OE1 3.49Å
47	P	95.3	Very high	93.8	Very high	39 Å²	39	47.3 Å²	47.3	25%	0.253	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-36.3	-178.7	-23.2	35.6	0	0	0	112.9	A51 E103 L106	P47-A51 WeakPolarHBondContact O-CB 3.39Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.15Å; P47-E103 VanDerWaalsContact CD-OE2 3.25Å; P47-E103 WeakPolarHBondContact CD-OE2 3.34Å; P47-E103 WeakPolarHBondContact CG-OE2 3.23Å; P47-L106 HydrophobicContact CB-CD1 4.43Å; P47-L106 HydrophobicContact CB-CD2 4Å; P47-L106 HydrophobicContact CB-CG 4.33Å; P47-L106 HydrophobicContact CG-CD1 4.16Å; P47-L106 HydrophobicContact CG-CD2 4.29Å; P47-L106 HydrophobicContact CG-CG 4.08Å
48	A	93.8	Very high	94.1	Very high	52 Å²	52	43.4 Å²	43.4	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-74.1	-41	174.4	0	0	0	0	0	111.9	V34 T46 A51 Q52	V34-A48 HydrophobicContact CG2-CB 3.93Å; T46-A48 VanDerWaalsContact C-N 3.29Å; T46-A48 PolarHBondContact O-N 3.19Å; A48-A51 PolarHBondContact O-N 3.33Å; A48-Q52 PolarHBondContact O-N 3.22Å
49	G	93.9	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174.4	0	0	0	0	0	112.2	T46 A51 Q52 T53	T46-G49 PolarHBondContact O-N 3Å; T46-G49 VanDerWaalsContact O-N 3.17Å; T46-G49 PolarHBondContact OG1-N 3.08Å; G49-A51 PolarHBondContact O-N 2.98Å; G49-Q52 PolarHBondContact O-N 2.59Å; G49-T53 WeakPolarHBondContact O-CB 3.31Å; G49-T53 PolarHBondContact O-N 3.23Å; G49-T53 PolarHBondContact O-OG1 3.18Å
50	L	96.3	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-45.6	174.6	178.3	62.2	0	0	0	111.7	L45 T46 Q52 T53 L54 L60 V62 L106 F110	L45-L50 HydrophobicContact CB-CB 4.32Å; L45-L50 HydrophobicContact CD1-CD1 3.95Å; T46-L50 WeakPolarHBondContact O-CB 3.35Å; T46-L50 PolarHBondContact O-N 3.19Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 2.96Å; L50-T53 PolarHBondContact O-N 3.38Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.02Å; L50-L54 HydrophobicContact CG-CD1 3.89Å; L50-L54 HydrophobicContact CG-CG 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.4Å; L50-L60 HydrophobicContact CD1-CD2 4Å; L50-V62 HydrophobicContact CD1-CG2 4.15Å; L50-L106 HydrophobicContact CD2-CD1 4.06Å; L50-L106 HydrophobicContact CD2-CD2 4.06Å; L50-F110 HydrophobicContact CD2-CE2 3.65Å; L50-F110 HydrophobicContact CD2-CZ 3.94Å
51	A	95	Very high	95.1	Very high	35 Å²	35	30.7 Å²	30.7	29%	0.289	18%	0.177	S	C	.	.	H	α-helix	trans	-61	-41.1	177.9	0	0	0	0	0	112.5	P47 A48 G49 N55	P47-A51 WeakPolarHBondContact O-CB 3.39Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.15Å; A48-A51 PolarHBondContact O-N 3.33Å; G49-A51 PolarHBondContact O-N 2.98Å; A51-N55 PolarHBondContact O-N 3.26Å; A51-N55 PolarHBondContact O-ND2 3.13Å
52	Q	93.5	Very high	95.4	Very high	31 Å²	31	28.8 Å²	28.8	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-50.9	174.4	-179.1	171.2	-82.4	0	0	111.8	V34 A48 G49 L50 L54 N55 E56	V34-Q52 PolarHBondContact O-NE2 3.23Å; A48-Q52 PolarHBondContact O-N 3.22Å; G49-Q52 PolarHBondContact O-N 2.59Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 2.96Å; Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 3.12Å; Q52-N55 PolarHBondContact O-N 3.5Å; Q52-E56 PolarHBondContact O-N 3.31Å; Q52-E56 VanDerWaalsContact O-N 3.12Å
53	T	94.3	Very high	95.4	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-34.1	-176.2	-54.4	0	0	0	0	112.1	I36 M43 G49 L50 N55 E56 T57 L60	I36-T53 WeakPolarHBondContact CD1-OG1 3.24Å; M43-T53 HydrophobicContact CE-CG2 3.64Å; M43-T53 HydrophobicContact SD-CG2 3.8Å; G49-T53 WeakPolarHBondContact O-CB 3.31Å; G49-T53 PolarHBondContact O-N 3.23Å; G49-T53 PolarHBondContact O-OG1 3.18Å; L50-T53 PolarHBondContact O-N 3.38Å; T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-N 3.26Å; T53-E56 PolarHBondContact O-N 2.87Å; T53-T57 WeakPolarHBondContact CG2-OG1 3.3Å; T53-T57 WeakPolarHBondContact O-CB 3.41Å; T53-T57 PolarHBondContact O-N 3.24Å; T53-T57 PolarHBondContact O-OG1 3.47Å; T53-L60 HydrophobicContact CG2-CD1 3.53Å; T53-L60 HydrophobicContact CG2-CD2 3.68Å; T53-L60 HydrophobicContact CG2-CG 4.2Å
54	L	95.6	Very high	95.5	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-37.2	171.9	-78.3	169.3	0	0	0	112.9	L50 Q52 L60 F121 G124 R126	L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.02Å; L50-L54 HydrophobicContact CG-CD1 3.89Å; L50-L54 HydrophobicContact CG-CG 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 3.4Å; Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 3.12Å; L54-L60 HydrophobicContact CD2-CD2 3.91Å; L54-L60 HydrophobicContact CG-CD2 4Å; L54-F121 HydrophobicContact CD2-CB 3.41Å; L54-F121 VanDerWaalsContact CD2-CB 3.41Å; L54-F121 HydrophobicContact CD2-CD1 3.7Å; L54-F121 HydrophobicContact CD2-CD2 4.31Å; L54-F121 HydrophobicContact CD2-CG 3.57Å; L54-G124 WeakPolarHBondContact O-CA 3.31Å; L54-G124 PolarHBondContact O-N 3.31Å; L54-R126 HydrophobicContact CD1-CB 4.07Å; L54-R126 HydrophobicContact CD1-CG 3.91Å
55	N	92.6	Very high	95.5	Very high	139 Å²	139	25.7 Å²	25.7	74%	0.743	15%	0.147	S	C	*	.	H	α-helix	trans	-77.9	-26	178.9	-68.6	-26.3	0	0	0	113	A51 Q52 T53	A51-N55 PolarHBondContact O-N 3.26Å; A51-N55 PolarHBondContact O-ND2 3.13Å; Q52-N55 PolarHBondContact O-N 3.5Å; T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-N 3.26Å
56	E	91	Very high	95.5	Very high	80 Å²	80	27.6 Å²	27.6	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-97.5	-13	-178.8	-65.4	-163.8	-164.6	0	0	114.4	Q52 T53 R291 R294	Q52-E56 PolarHBondContact O-N 3.31Å; Q52-E56 VanDerWaalsContact O-N 3.12Å; T53-E56 PolarHBondContact O-N 2.87Å; E56-R291 IonicContact OE1-CZ 3.63Å; E56-R291 IonicContact OE1-NE 3.26Å; E56-R291 PolarHBondContact OE1-NE 3.34Å; E56-R291 IonicContact OE1-NH2 2.6Å; E56-R291 PolarHBondContact OE1-NH2 2.96Å; E56-R294 IonicContact OE2-NH1 2.74Å; E56-R294 PolarHBondContact OE2-NH1 3Å; E56-R294 VanDerWaalsContact OE2-NH1 3.13Å
57	T	94.5	Very high	95.4	Very high	22 Å²	22	26.9 Å²	26.9	14%	0.135	15%	0.153	C	C	.	.			trans	-119.3	130.7	-171.8	-45.7	0	0	0	0	112.4	T53 L60 L93	T53-T57 WeakPolarHBondContact CG2-OG1 3.3Å; T53-T57 WeakPolarHBondContact O-CB 3.41Å; T53-T57 PolarHBondContact O-N 3.24Å; T53-T57 PolarHBondContact O-OG1 3.47Å; T57-L60 HydrophobicContact CG2-CB 4.02Å; T57-L93 VanDerWaalsContact CG2-C 3.48Å
58	R	95.6	Very high	95.4	Very high	31 Å²	31	30 Å²	30	12%	0.117	18%	0.176	C	C	.	.	S	Bend	trans	-78	-35.3	-179	-175.7	157.7	179	-107.6	0.5	113.5	G92 F122 E123 P196 L198	R58-G92 CarbonylContact C-O 3.6Å; R58-G92 PolarHBondContact N-O 3.02Å; R58-F122 HydrophobicContact CG-CE2 4.12Å; R58-F122 CarbonylContact O-C 3.5Å; R58-F122 WeakPolarHBondContact O-CA 3.28Å; R58-F122 WeakPolarHBondContact O-CD2 3.25Å; R58-E123 HydrophobicContact CG-CG 3.79Å; R58-E123 IonicContact CZ-OE1 2.85Å; R58-E123 IonicContact NE-OE1 3.54Å; R58-E123 PolarHBondContact NE-OE1 3.3Å; R58-E123 IonicContact NH2-OE1 3.47Å; R58-E123 PolarHBondContact O-N 3.2Å; R58-P196 PolarHBondContact NH1-O 3.42Å; R58-L198 PolarHBondContact NH1-O 2.92Å
59	F	97.6	Very high	95.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	97	174.9	-65.5	-90.8	0	0	0	109	G92 L93 G94 L120 F121 F122 V149 K152 P196	F59-G92 PolarHBondContact N-O 2.58Å; F59-L93 HydrophobicContact CB-CD2 3.7Å; F59-L93 HydrophobicContact CD2-CD2 4.27Å; F59-L93 HydrophobicContact CG-CD2 4.24Å; F59-L93 CarbonylContact O-C 3.6Å; F59-L93 WeakPolarHBondContact O-CA 3.43Å; F59-G94 PolarHBondContact O-N 3.32Å; F59-L120 HydrophobicContact CB-CD1 4.1Å; F59-L120 HydrophobicContact CD1-CD1 4.49Å; F59-L120 HydrophobicContact CD1-CD2 4.48Å; F59-F121 WeakPolarHBondContact CA-O 3.29Å; F59-F122 AromaticContact CD1-CD2 3.83Å; F59-F122 HydrophobicContact CD1-CD2 3.83Å; F59-F122 HydrophobicContact CD1-CE2 4.45Å; F59-F122 AromaticContact CE1-CD2 3.51Å; F59-F122 HydrophobicContact CE1-CD2 3.51Å; F59-F122 AromaticContact CE1-CE2 3.79Å; F59-F122 HydrophobicContact CE1-CE2 3.79Å; F59-F122 HydrophobicContact CE2-CD2 4.38Å; F59-F122 HydrophobicContact CE2-CE2 4.13Å; F59-F122 HydrophobicContact CG-CD2 4.39Å; F59-F122 AromaticContact CZ-CD2 3.81Å; F59-F122 HydrophobicContact CZ-CD2 3.81Å; F59-F122 AromaticContact CZ-CE2 3.59Å; F59-F122 HydrophobicContact CZ-CE2 3.59Å; F59-V149 HydrophobicContact CD1-CG2 4.19Å; F59-V149 HydrophobicContact CD2-CG2 4.26Å; F59-V149 HydrophobicContact CE1-CB 4.36Å; F59-V149 HydrophobicContact CE1-CG2 3.98Å; F59-V149 HydrophobicContact CE2-CG1 4.24Å; F59-V149 HydrophobicContact CE2-CG2 4.06Å; F59-V149 HydrophobicContact CG-CG2 4.33Å; F59-V149 HydrophobicContact CZ-CB 4.09Å; F59-V149 HydrophobicContact CZ-CG1 4.09Å; F59-V149 HydrophobicContact CZ-CG2 3.91Å; F59-K152 HydrophobicContact CE1-CB 4.05Å; F59-K152 HydrophobicContact CE1-CG 3.82Å; F59-K152 HydrophobicContact CZ-CB 3.98Å; F59-K152 HydrophobicContact CZ-CG 4.27Å; F59-P196 HydrophobicContact CD2-CB 3.67Å; F59-P196 HydrophobicContact CE2-CB 3.79Å
60	L	98.1	Very high	95.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.3	-179.1	177.6	60.4	0	0	0	110.3	M43 L45 L50 T53 L54 T57 V62 F121	M43-L60 HydrophobicContact CE-CD1 4Å; L45-L60 HydrophobicContact CD1-CD2 4.48Å; L50-L60 HydrophobicContact CD1-CD2 4Å; T53-L60 HydrophobicContact CG2-CD1 3.53Å; T53-L60 HydrophobicContact CG2-CD2 3.68Å; T53-L60 HydrophobicContact CG2-CG 4.2Å; L54-L60 HydrophobicContact CD2-CD2 3.91Å; L54-L60 HydrophobicContact CG-CD2 4Å; T57-L60 HydrophobicContact CG2-CB 4.02Å; L60-V62 HydrophobicContact CD1-CG2 4.34Å; L60-V62 HydrophobicContact CD2-CG2 4.04Å; L60-V62 HydrophobicContact CG-CG2 3.74Å; L60-F121 HydrophobicContact CB-CB 4.37Å; L60-F121 PolarHBondContact N-O 2.82Å; L60-F121 PolarHBondContact O-N 2.92Å
61	M	97.5	Very high	95.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115	179.9	-160.5	163.8	-173.6	0	0	109.9	L79 G94 F95 G96 L118 L120 C132 L141 W144 L145	M61-L79 HydrophobicContact CE-CD1 4.31Å; M61-L79 HydrophobicContact CG-CD1 4.14Å; M61-L79 HydrophobicContact SD-CD1 3.98Å; M61-G94 PolarHBondContact N-O 3.04Å; M61-F95 HydrophobicContact CB-CD1 3.97Å; M61-F95 HydrophobicContact CB-CE1 4.19Å; M61-F95 WeakPolarHBondContact O-CA 3.43Å; M61-F95 HydrophobicContact SD-CE1 4.16Å; M61-G96 PolarHBondContact O-N 2.94Å; M61-L118 HydrophobicContact CE-CD1 4.24Å; M61-L118 HydrophobicContact CE-CD2 3.9Å; M61-L118 HydrophobicContact CE-CG 3.94Å; M61-L118 HydrophobicContact CG-CD1 4.03Å; M61-L120 HydrophobicContact CB-CD1 4.32Å; M61-C132 HydrophobicContact CE-CB 4.17Å; M61-L141 HydrophobicContact CE-CD2 3.87Å; M61-W144 HydrophobicContact CE-CE3 3.65Å; M61-W144 HydrophobicContact CE-CZ3 3.57Å; M61-W144 HydrophobicContact SD-CZ3 4.3Å; M61-L145 HydrophobicContact SD-CD1 4.38Å; M61-L145 HydrophobicContact SD-CD2 4.25Å
62	V	98	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.7	-172.3	-172.6	0	0	0	0	110.8	L45 L50 L60 F64 G96 V98 L118 K119 F121	L45-V62 HydrophobicContact CD1-CG1 4.33Å; L45-V62 HydrophobicContact CD1-CG2 4.05Å; L50-V62 HydrophobicContact CD1-CG2 4.15Å; L60-V62 HydrophobicContact CD1-CG2 4.34Å; L60-V62 HydrophobicContact CD2-CG2 4.04Å; L60-V62 HydrophobicContact CG-CG2 3.74Å; V62-F64 HydrophobicContact CB-CE2 4.07Å; V62-F64 HydrophobicContact CB-CZ 4.5Å; V62-F64 HydrophobicContact CG1-CD2 4.28Å; V62-F64 HydrophobicContact CG1-CE1 4.5Å; V62-F64 HydrophobicContact CG1-CE2 3.82Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; V62-G96 WeakPolarHBondContact CA-O 3.33Å; V62-V98 HydrophobicContact CG1-CB 4.44Å; V62-V98 HydrophobicContact CG1-CG2 3.64Å; V62-L118 WeakPolarHBondContact O-CD1 3.43Å; V62-K119 PolarHBondContact N-O 3.23Å; V62-K119 PolarHBondContact O-N 3.43Å; V62-F121 HydrophobicContact CB-CD2 4.48Å; V62-F121 HydrophobicContact CB-CE2 4.04Å; V62-F121 HydrophobicContact CG2-CD2 3.87Å; V62-F121 HydrophobicContact CG2-CE2 3.78Å
63	I	97.6	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.8	167.2	-165.1	-176.6	0	0	0	110.7	L42 Y65 L75 A76 L79 G96 K97 V98 P116 E117 L118	L42-I63 HydrophobicContact CD1-CG2 4.4Å; I63-Y65 HydrophobicContact CG2-CD1 4.43Å; I63-L75 HydrophobicContact CD1-CB 3.83Å; I63-L75 HydrophobicContact CD1-CD2 4.07Å; I63-L75 HydrophobicContact CD1-CG 3.79Å; I63-A76 HydrophobicContact CD1-CB 4.15Å; I63-A76 HydrophobicContact CG2-CB 4.5Å; I63-L79 HydrophobicContact CB-CD2 3.99Å; I63-L79 HydrophobicContact CG2-CD2 4.04Å; I63-G96 PolarHBondContact N-O 3.34Å; I63-K97 HydrophobicContact CG2-CB 3.49Å; I63-K97 VanDerWaalsContact CG2-CB 3.49Å; I63-K97 WeakPolarHBondContact O-CA 3.48Å; I63-V98 PolarHBondContact O-N 3.09Å; I63-P116 HydrophobicContact CD1-CB 3.85Å; I63-P116 HydrophobicContact CG1-CB 4.03Å; I63-E117 WeakPolarHBondContact CA-O 3.41Å; I63-L118 HydrophobicContact CB-CD1 4.02Å
64	F	97.5	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.4	168.8	-66.6	-87.9	0	0	0	107.5	V62 V98 I100 L106 F110 I112 P116 E117 K119 F121	V62-F64 HydrophobicContact CB-CE2 4.07Å; V62-F64 HydrophobicContact CB-CZ 4.5Å; V62-F64 HydrophobicContact CG1-CD2 4.28Å; V62-F64 HydrophobicContact CG1-CE1 4.5Å; V62-F64 HydrophobicContact CG1-CE2 3.82Å; V62-F64 HydrophobicContact CG1-CZ 3.94Å; F64-V98 HydrophobicContact CD1-CB 3.72Å; F64-V98 HydrophobicContact CD1-CG1 3.81Å; F64-V98 HydrophobicContact CD1-CG2 4.22Å; F64-V98 HydrophobicContact CE1-CB 3.86Å; F64-V98 HydrophobicContact CE1-CG1 3.92Å; F64-V98 HydrophobicContact CE1-CG2 3.85Å; F64-V98 HydrophobicContact CZ-CG2 4.4Å; F64-I100 HydrophobicContact CB-CG2 3.91Å; F64-I100 HydrophobicContact CD1-CG2 3.89Å; F64-I100 HydrophobicContact CG-CG2 4.42Å; F64-L106 HydrophobicContact CE1-CB 4.42Å; F64-F110 AromaticContact CE1-CD2 3.43Å; F64-F110 HydrophobicContact CE1-CD2 3.43Å; F64-F110 VanDerWaalsContact CE1-CD2 3.43Å; F64-F110 AromaticContact CE1-CE2 3.98Å; F64-F110 HydrophobicContact CE1-CE2 3.98Å; F64-F110 HydrophobicContact CE1-CG 4.31Å; F64-F110 HydrophobicContact CE2-CD2 4.34Å; F64-F110 HydrophobicContact CZ-CB 4.4Å; F64-F110 AromaticContact CZ-CD2 3.32Å; F64-F110 HydrophobicContact CZ-CD2 3.32Å; F64-F110 AromaticContact CZ-CE2 3.73Å; F64-F110 HydrophobicContact CZ-CE2 3.73Å; F64-F110 AromaticContact CZ-CG 3.96Å; F64-F110 HydrophobicContact CZ-CG 3.96Å; F64-I112 HydrophobicContact CB-CD1 3.75Å; F64-I112 HydrophobicContact CB-CG1 4.05Å; F64-I112 HydrophobicContact CB-CG2 4.16Å; F64-I112 HydrophobicContact CD1-CD1 4.01Å; F64-I112 HydrophobicContact CD1-CG1 3.99Å; F64-I112 HydrophobicContact CD2-CD1 3.86Å; F64-I112 HydrophobicContact CG-CD1 3.58Å; F64-I112 HydrophobicContact CG-CG1 4Å; F64-P116 WeakPolarHBondContact O-CA 3.31Å; F64-E117 HydrophobicContact CB-CB 4.35Å; F64-E117 PolarHBondContact N-O 3.2Å; F64-E117 PolarHBondContact O-N 3.13Å; F64-K119 HydrophobicContact CD2-CB 4.45Å; F64-K119 HydrophobicContact CD2-CD 4.15Å; F64-K119 HydrophobicContact CE2-CB 4.09Å; F64-K119 HydrophobicContact CE2-CD 4.01Å; F64-F121 HydrophobicContact CE2-CE2 4.27Å; F64-F121 HydrophobicContact CE2-CZ 4.39Å; F64-F121 HydrophobicContact CZ-CE2 4.45Å; F64-F121 HydrophobicContact CZ-CZ 4.3Å
65	Y	96.3	Very high	95.6	Very high	32 Å²	32	51.7 Å²	51.7	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	163.2	-164.5	86.7	-72.5	0	0	0	112.4	I63 P67 K97 V98 D99 I100	I63-Y65 HydrophobicContact CG2-CD1 4.43Å; Y65-P67 HydrophobicContact CD2-CG 4.41Å; Y65-P67 HydrophobicContact CE2-CB 4.1Å; Y65-P67 HydrophobicContact CE2-CG 3.72Å; Y65-K97 HydrophobicContact CD1-CB 3.96Å; Y65-K97 HydrophobicContact CE1-CB 3.65Å; Y65-K97 HydrophobicContact CE1-CD 3.99Å; Y65-K97 HydrophobicContact CE1-CG 3.82Å; Y65-V98 VanDerWaalsContact CD1-O 3.24Å; Y65-V98 WeakPolarHBondContact CD1-O 3.22Å; Y65-V98 PolarHBondContact N-O 3.42Å; Y65-D99 HydrophobicContact CE1-CB 4.29Å; Y65-I100 VanDerWaalsContact O-CG1 3.31Å; Y65-I100 WeakPolarHBondContact O-CG1 3.12Å; Y65-I100 PolarHBondContact O-N 3.47Å
66	N	96.1	Very high	95.8	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	23%	0.226	C	C	.	.			trans	-116.3	115.6	171	174.7	-30.6	0	0	0	108	S68 S69 S72 T101	N66-S68 PolarHBondContact O-N 3.23Å; N66-S68 VanDerWaalsContact O-N 3.11Å; N66-S68 WeakPolarHBondContact OD1-CB 3.21Å; N66-S68 PolarHBondContact OD1-N 2.81Å; N66-S69 PolarHBondContact O-N 2.92Å; N66-S72 PolarHBondContact N-OG 3.07Å; N66-S72 WeakPolarHBondContact O-CB 3.29Å; N66-T101 HydrophobicContact CB-CG2 4.08Å
67	P	94	Very high	96	Very high	41 Å²	41	46.4 Å²	46.4	27%	0.266	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.9	-176.9	-26	32.2	0	0	0	114.4	Y65 R73 D99	Y65-P67 HydrophobicContact CD2-CG 4.41Å; Y65-P67 HydrophobicContact CE2-CB 4.1Å; Y65-P67 HydrophobicContact CE2-CG 3.72Å; P67-R73 VanDerWaalsContact O-CD 3.27Å; P67-R73 WeakPolarHBondContact O-CD 3.39Å; P67-R73 VanDerWaalsContact O-CG 3.3Å; P67-R73 WeakPolarHBondContact O-CG 3.27Å; P67-R73 PolarHBondContact O-NH1 3.18Å; P67-D99 VanDerWaalsContact CD-CG 3.42Å; P67-D99 WeakPolarHBondContact CD-OD1 3.48Å; P67-D99 HydrophobicContact CG-CB 4.35Å; P67-D99 WeakPolarHBondContact CG-OD2 3.37Å
68	S	94.1	Very high	96.2	Very high	104 Å²	104	46.1 Å²	46.1	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-24	178.7	-60.6	0	0	0	0	113.1	N66 R73	N66-S68 PolarHBondContact O-N 3.23Å; N66-S68 VanDerWaalsContact O-N 3.11Å; N66-S68 WeakPolarHBondContact OD1-CB 3.21Å; N66-S68 PolarHBondContact OD1-N 2.81Å; S68-R73 PolarHBondContact O-NH1 2.68Å
69	S	95.9	Very high	96.3	Very high	35 Å²	35	44.7 Å²	44.7	25%	0.245	22%	0.221	C	C	.	.			trans	-77.4	124.3	179	169.4	0	0	0	0	112.4	N66 Q71 S72 R73	N66-S69 PolarHBondContact O-N 2.92Å; S69-Q71 VanDerWaalsContact C-N 3.29Å; S69-Q71 PolarHBondContact O-N 2.69Å; S69-Q71 PolarHBondContact OG-N 3.44Å; S69-S72 WeakPolarHBondContact O-CB 3.18Å; S69-S72 PolarHBondContact O-N 3.27Å; S69-S72 PolarHBondContact OG-N 3.45Å; S69-R73 PolarHBondContact O-N 3.15Å
70	K	94.7	Very high	96.2	Very high	174 Å²	174	44.7 Å²	44.7	76%	0.757	22%	0.222	S	C	*	.	H	α-helix	trans	-60.2	-37	177.5	-175	177.6	179.7	178.8	0	112.5	K74	K70-K74 PolarHBondContact O-N 3.47Å; K70-K74 VanDerWaalsContact O-N 3.08Å
71	Q	94.1	Very high	96.2	Very high	136 Å²	136	49.5 Å²	49.5	64%	0.636	24%	0.24	S	C	*	.	H	α-helix	trans	-70.4	-37.9	177.4	-173.9	178.3	-12.7	0	0	111.5	S69 L75 P116	S69-Q71 VanDerWaalsContact C-N 3.29Å; S69-Q71 PolarHBondContact O-N 2.69Å; S69-Q71 PolarHBondContact OG-N 3.44Å; Q71-L75 PolarHBondContact O-N 2.9Å; Q71-L75 VanDerWaalsContact O-N 3.08Å; Q71-P116 HydrophobicContact CG-CG 4.31Å
72	S	95.2	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-47.6	173.6	-80.1	0	0	0	0	112.3	N66 S69 L75 A76	N66-S72 PolarHBondContact N-OG 3.07Å; N66-S72 WeakPolarHBondContact O-CB 3.29Å; S69-S72 WeakPolarHBondContact O-CB 3.18Å; S69-S72 PolarHBondContact O-N 3.27Å; S69-S72 PolarHBondContact OG-N 3.45Å; S72-L75 PolarHBondContact O-N 2.88Å; S72-A76 PolarHBondContact O-N 2.82Å
73	R	95.1	Very high	96	Very high	109 Å²	109	49.8 Å²	49.8	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-49.2	176.1	-67	-165.9	-60.5	-82.3	5.5	112	P67 S68 S69 L75 A76 E77	P67-R73 VanDerWaalsContact O-CD 3.27Å; P67-R73 WeakPolarHBondContact O-CD 3.39Å; P67-R73 VanDerWaalsContact O-CG 3.3Å; P67-R73 WeakPolarHBondContact O-CG 3.27Å; P67-R73 PolarHBondContact O-NH1 3.18Å; S68-R73 PolarHBondContact O-NH1 2.68Å; S69-R73 PolarHBondContact O-N 3.15Å; R73-L75 VanDerWaalsContact C-N 3.34Å; R73-L75 PolarHBondContact O-N 3.36Å; R73-A76 WeakPolarHBondContact O-CB 3.34Å; R73-A76 PolarHBondContact O-N 2.82Å; R73-A76 VanDerWaalsContact O-N 3.09Å; R73-E77 WeakPolarHBondContact O-CG 3.26Å; R73-E77 PolarHBondContact O-N 2.9Å
74	K	95.9	Very high	95.8	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-44.4	178.6	-165.5	-167.5	175.8	-166.5	0	112.3	K70 A76 E77 E78	K70-K74 PolarHBondContact O-N 3.47Å; K70-K74 VanDerWaalsContact O-N 3.08Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 2.93Å; K74-E77 WeakPolarHBondContact O-CB 3.43Å; K74-E77 PolarHBondContact O-N 2.86Å; K74-E78 VanDerWaalsContact O-CG 3.3Å; K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 2.85Å
75	L	95.9	Very high	95.7	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-69.6	-32.1	179.5	-172.2	58.7	0	0	0	112.5	I63 Q71 S72 R73 E78 L79 P116 L118 V136 L141	I63-L75 HydrophobicContact CD1-CB 3.83Å; I63-L75 HydrophobicContact CD1-CD2 4.07Å; I63-L75 HydrophobicContact CD1-CG 3.79Å; Q71-L75 PolarHBondContact O-N 2.9Å; Q71-L75 VanDerWaalsContact O-N 3.08Å; S72-L75 PolarHBondContact O-N 2.88Å; R73-L75 VanDerWaalsContact C-N 3.34Å; R73-L75 PolarHBondContact O-N 3.36Å; L75-E78 PolarHBondContact O-N 2.92Å; L75-L79 WeakPolarHBondContact O-CB 3.42Å; L75-L79 PolarHBondContact O-N 3.33Å; L75-P116 HydrophobicContact CB-CB 4.41Å; L75-P116 HydrophobicContact CB-CG 3.89Å; L75-P116 HydrophobicContact CD2-CB 3.9Å; L75-P116 HydrophobicContact CD2-CG 3.56Å; L75-P116 HydrophobicContact CG-CG 4.36Å; L75-L118 HydrophobicContact CD1-CD2 4.44Å; L75-L118 HydrophobicContact CD2-CB 4.47Å; L75-L118 HydrophobicContact CD2-CD2 4.26Å; L75-V136 HydrophobicContact CD1-CB 4.04Å; L75-V136 HydrophobicContact CD1-CG1 4.22Å; L75-L141 HydrophobicContact CD1-CD1 4.37Å
76	A	96.6	Very high	95.5	Very high	12 Å²	12	57 Å²	57	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-41.1	171.2	0	0	0	0	0	111.8	L42 I63 S72 R73 K74 L79 G80	L42-A76 HydrophobicContact CD1-CB 4.15Å; L42-A76 WeakPolarHBondContact CD1-O 3.32Å; I63-A76 HydrophobicContact CD1-CB 4.15Å; I63-A76 HydrophobicContact CG2-CB 4.5Å; S72-A76 PolarHBondContact O-N 2.82Å; R73-A76 WeakPolarHBondContact O-CB 3.34Å; R73-A76 PolarHBondContact O-N 2.82Å; R73-A76 VanDerWaalsContact O-N 3.09Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 2.93Å; A76-L79 PolarHBondContact O-N 2.95Å; A76-G80 PolarHBondContact O-N 2.87Å
77	E	96.8	Very high	95.2	Very high	95 Å²	95	55 Å²	55	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-39.3	174.6	-65.9	156	-146.5	0	0	112.4	R73 K74 R81	R73-E77 WeakPolarHBondContact O-CG 3.26Å; R73-E77 PolarHBondContact O-N 2.9Å; K74-E77 WeakPolarHBondContact O-CB 3.43Å; K74-E77 PolarHBondContact O-N 2.86Å; E77-R81 WeakPolarHBondContact O-CB 3.49Å; E77-R81 PolarHBondContact O-N 2.91Å; E77-R81 PolarHBondContact O-NE 2.83Å
78	E	97.4	Very high	94.9	Very high	16 Å²	16	55 Å²	55	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-70.9	-37.3	175.5	-65.8	-73.5	161.9	0	0	111.7	K74 L75 R81 A82 V136 S138 L141	K74-E78 VanDerWaalsContact O-CG 3.3Å; K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 2.85Å; L75-E78 PolarHBondContact O-N 2.92Å; E78-R81 VanDerWaalsContact CD-CZ 3.42Å; E78-R81 PolarHBondContact O-N 3.37Å; E78-R81 IonicContact OE1-CZ 3.78Å; E78-R81 IonicContact OE1-NH1 2.73Å; E78-R81 PolarHBondContact OE1-NH1 3.47Å; E78-R81 IonicContact OE1-NH2 3.54Å; E78-R81 PolarHBondContact OE1-NH2 3.49Å; E78-R81 IonicContact OE2-CZ 2.71Å; E78-R81 IonicContact OE2-NH1 3.41Å; E78-R81 PolarHBondContact OE2-NH1 3.27Å; E78-R81 IonicContact OE2-NH2 2.69Å; E78-A82 WeakPolarHBondContact O-CB 3.12Å; E78-A82 PolarHBondContact O-N 3.4Å; E78-V136 WeakPolarHBondContact CB-O 3.5Å; E78-V136 WeakPolarHBondContact CG-O 3.43Å; E78-S138 VanDerWaalsContact O-CB 3.26Å; E78-S138 WeakPolarHBondContact O-CB 3.47Å; E78-S138 VanDerWaalsContact OE2-CB 3.25Å; E78-S138 WeakPolarHBondContact OE2-CB 3.39Å; E78-S138 PolarHBondContact OE2-N 2.77Å; E78-S138 PolarHBondContact OE2-OG 3.36Å; E78-L141 HydrophobicContact CB-CD1 4.42Å
79	L	97.3	Very high	94.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-40.1	174.1	-170.3	68.5	0	0	0	111.9	L42 M61 I63 L75 A76 R81 A82 A83 F95 L118 L141	L42-L79 HydrophobicContact CD1-CB 4.41Å; L42-L79 HydrophobicContact CD1-CD2 4.33Å; L42-L79 HydrophobicContact CD2-CB 4.31Å; L42-L79 HydrophobicContact CD2-CD2 3.9Å; L42-L79 HydrophobicContact CD2-CG 3.86Å; M61-L79 HydrophobicContact CE-CD1 4.31Å; M61-L79 HydrophobicContact CG-CD1 4.14Å; M61-L79 HydrophobicContact SD-CD1 3.98Å; I63-L79 HydrophobicContact CB-CD2 3.99Å; I63-L79 HydrophobicContact CG2-CD2 4.04Å; L75-L79 WeakPolarHBondContact O-CB 3.42Å; L75-L79 PolarHBondContact O-N 3.33Å; A76-L79 PolarHBondContact O-N 2.95Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.3Å; L79-A82 WeakPolarHBondContact O-CB 3.41Å; L79-A82 PolarHBondContact O-N 3.05Å; L79-A83 PolarHBondContact O-N 3.29Å; L79-F95 HydrophobicContact CD1-CD1 3.94Å; L79-F95 HydrophobicContact CD1-CE1 4.36Å; L79-F95 HydrophobicContact CG-CD1 4.23Å; L79-L118 HydrophobicContact CD1-CD1 4.24Å; L79-L118 HydrophobicContact CD1-CD2 4.49Å; L79-L118 HydrophobicContact CD2-CD1 3.87Å; L79-L141 HydrophobicContact CB-CD1 4.45Å; L79-L141 HydrophobicContact CD1-CD1 4.16Å
80	G	96.9	Very high	94.4	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-32.3	174	0	0	0	0	0	113	H40 N41 A76 E84	H40-G80 WeakPolarHBondContact O-CA 3.39Å; N41-G80 WeakPolarHBondContact CB-O 3.49Å; N41-G80 PolarHBondContact ND2-O 2.88Å; A76-G80 PolarHBondContact O-N 2.87Å; G80-E84 PolarHBondContact O-N 3.47Å
81	R	96.6	Very high	94.3	Very high	102 Å²	102	45.6 Å²	45.6	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-73.5	-37.7	169.8	-81.8	-179.3	-82.4	132.5	-5.8	112.8	E77 E78 L79 A83 E84 I85	E77-R81 WeakPolarHBondContact O-CB 3.49Å; E77-R81 PolarHBondContact O-N 2.91Å; E77-R81 PolarHBondContact O-NE 2.83Å; E78-R81 VanDerWaalsContact CD-CZ 3.42Å; E78-R81 PolarHBondContact O-N 3.37Å; E78-R81 IonicContact OE1-CZ 3.78Å; E78-R81 IonicContact OE1-NH1 2.73Å; E78-R81 PolarHBondContact OE1-NH1 3.47Å; E78-R81 IonicContact OE1-NH2 3.54Å; E78-R81 PolarHBondContact OE1-NH2 3.49Å; E78-R81 IonicContact OE2-CZ 2.71Å; E78-R81 IonicContact OE2-NH1 3.41Å; E78-R81 PolarHBondContact OE2-NH1 3.27Å; E78-R81 IonicContact OE2-NH2 2.69Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.3Å; R81-A83 VanDerWaalsContact C-N 3.32Å; R81-A83 PolarHBondContact O-N 2.87Å; R81-E84 PolarHBondContact O-N 2.83Å; R81-E84 VanDerWaalsContact O-N 3.16Å; R81-I85 VanDerWaalsContact O-CG1 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.22Å; R81-I85 PolarHBondContact O-N 3.45Å
82	A	96.8	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-41.2	172.5	0	0	0	0	0	111.9	E78 L79 E84 I85 I86 L141 V142	E78-A82 WeakPolarHBondContact O-CB 3.12Å; E78-A82 PolarHBondContact O-N 3.4Å; L79-A82 WeakPolarHBondContact O-CB 3.41Å; L79-A82 PolarHBondContact O-N 3.05Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.22Å; A82-I85 PolarHBondContact O-N 2.63Å; A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 WeakPolarHBondContact O-CG1 3.24Å; A82-I86 PolarHBondContact O-N 2.69Å; A82-I86 VanDerWaalsContact O-N 3.13Å; A82-L141 HydrophobicContact CB-CB 3.97Å; A82-L141 HydrophobicContact CB-CD1 4.41Å; A82-V142 HydrophobicContact CB-CG2 3.97Å
83	A	95.3	Very high	94.4	Very high	6 Å²	6	41.1 Å²	41.1	5%	0.05	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-32.1	174.2	0	0	0	0	0	113.1	N41 L79 R81 G87 F95	N41-A83 HydrophobicContact CB-CB 4.29Å; L79-A83 PolarHBondContact O-N 3.29Å; R81-A83 VanDerWaalsContact C-N 3.32Å; R81-A83 PolarHBondContact O-N 2.87Å; A83-G87 PolarHBondContact O-N 3.05Å; A83-F95 HydrophobicContact CB-CB 4.07Å; A83-F95 HydrophobicContact CB-CD1 4.24Å; A83-F95 HydrophobicContact CB-CD2 3.49Å; A83-F95 VanDerWaalsContact CB-CD2 3.49Å; A83-F95 HydrophobicContact CB-CE2 3.96Å; A83-F95 HydrophobicContact CB-CG 3.67Å
84	E	93.9	Very high	94.4	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.29	19%	0.189	S	C	.	.	H	α-helix	trans	-75.3	-44.4	175.1	-166.1	161	164.7	0	0	112.4	N41 G80 R81 A82 I86 G87 K315	N41-E84 PolarHBondContact ND2-OE2 2.98Å; G80-E84 PolarHBondContact O-N 3.47Å; R81-E84 PolarHBondContact O-N 2.83Å; R81-E84 VanDerWaalsContact O-N 3.16Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.22Å; E84-I86 PolarHBondContact O-N 2.85Å; E84-G87 PolarHBondContact O-N 2.78Å; E84-K315 IonicContact OE1-NZ 2.73Å; E84-K315 PolarHBondContact OE1-NZ 2.85Å
85	I	94.9	Very high	94.5	Very high	92 Å²	92	31.6 Å²	31.6	47%	0.472	17%	0.168	S	C	.	.	H	α-helix	trans	-58.8	-30.9	176.2	-66.9	163.5	0	0	0	111.9	R81 A82 V142	R81-I85 VanDerWaalsContact O-CG1 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.22Å; R81-I85 PolarHBondContact O-N 3.45Å; A82-I85 PolarHBondContact O-N 2.63Å; I85-V142 HydrophobicContact CB-CG2 4.17Å; I85-V142 HydrophobicContact CG2-CG2 3.95Å
86	I	93.1	Very high	94.5	Very high	29 Å²	29	30.9 Å²	30.9	15%	0.149	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.6	178.5	-79.4	171.7	0	0	0	113.3	A82 E84 K90 L93 F95 V142 L145	A82-I86 WeakPolarHBondContact O-CB 3.42Å; A82-I86 WeakPolarHBondContact O-CG1 3.24Å; A82-I86 PolarHBondContact O-N 2.69Å; A82-I86 VanDerWaalsContact O-N 3.13Å; E84-I86 PolarHBondContact O-N 2.85Å; I86-K90 HydrophobicContact CG2-CB 4.25Å; I86-K90 HydrophobicContact CG2-CD 4.14Å; I86-L93 HydrophobicContact CD1-CD1 4.41Å; I86-L93 HydrophobicContact CG2-CD1 3.42Å; I86-L93 VanDerWaalsContact CG2-CD1 3.42Å; I86-F95 HydrophobicContact CD1-CZ 3.71Å; I86-F95 HydrophobicContact CG2-CE2 4.28Å; I86-F95 HydrophobicContact CG2-CZ 4.45Å; I86-V142 HydrophobicContact CD1-CB 4.28Å; I86-V142 HydrophobicContact CD1-CG1 4.07Å; I86-V142 HydrophobicContact CD1-CG2 3.82Å; I86-V142 HydrophobicContact CG1-CB 4.42Å; I86-V142 HydrophobicContact CG1-CG1 3.86Å; I86-V142 HydrophobicContact CG1-CG2 3.85Å; I86-L145 HydrophobicContact CD1-CD2 3.98Å
87	G	89.1	Confident	94.6	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	16%	0.162	C	C	.	.			trans	88.7	120.6	-172	0	0	0	0	0	112.6	A83 E84 G89 K90	A83-G87 PolarHBondContact O-N 3.05Å; E84-G87 PolarHBondContact O-N 2.78Å; G87-G89 PolarHBondContact O-N 2.89Å; G87-K90 WeakPolarHBondContact O-CB 3.36Å; G87-K90 PolarHBondContact O-N 3.01Å
88	K	86.9	Confident	94.6	Very high	41 Å²	41	26.3 Å²	26.3	18%	0.178	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	129.5	-179.2	-58.9	-172.3	-173.2	-173.5	0	111	N41 K90 E257 N259 E313	N41-K88 WeakPolarHBondContact OD1-CE 3.22Å; N41-K88 PolarHBondContact OD1-NZ 2.75Å; K88-K90 VanDerWaalsContact C-N 3.33Å; K88-K90 PolarHBondContact O-N 3.21Å; K88-E257 WeakPolarHBondContact O-CB 3.42Å; K88-E257 WeakPolarHBondContact O-CG 3.24Å; K88-N259 PolarHBondContact N-ND2 3.35Å; K88-N259 PolarHBondContact O-ND2 2.74Å; K88-E313 WeakPolarHBondContact CE-OE2 3.23Å; K88-E313 IonicContact NZ-OE2 2.74Å; K88-E313 PolarHBondContact NZ-OE2 3.36Å
89	G	86.4	Confident	94.6	Very high	37 Å²	37	27.3 Å²	27.3	38%	0.381	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	17.7	-178.8	0	0	0	0	0	115.4	G87 N91 E257	G87-G89 PolarHBondContact O-N 2.89Å; G89-N91 PolarHBondContact O-N 2.88Å; G89-E257 WeakPolarHBondContact CA-OE2 3.37Å
90	K	93.4	Very high	94.6	Very high	49 Å²	49	27.7 Å²	27.7	21%	0.213	15%	0.149	C	C	.	.			trans	-55.3	124.8	170.7	175.3	160.8	172.6	53.2	0	110.7	I86 G87 K88 L93 D194 E197	I86-K90 HydrophobicContact CG2-CB 4.25Å; I86-K90 HydrophobicContact CG2-CD 4.14Å; G87-K90 WeakPolarHBondContact O-CB 3.36Å; G87-K90 PolarHBondContact O-N 3.01Å; K88-K90 VanDerWaalsContact C-N 3.33Å; K88-K90 PolarHBondContact O-N 3.21Å; K90-L93 HydrophobicContact CD-CD1 4.31Å; K90-L93 HydrophobicContact CG-CD1 4.4Å; K90-L93 PolarHBondContact O-N 3.3Å; K90-D194 WeakPolarHBondContact CE-O 3.49Å; K90-D194 PolarHBondContact NZ-O 3.35Å; K90-E197 IonicContact NZ-OE1 3.74Å; K90-E197 PolarHBondContact NZ-OE1 2.92Å; K90-E197 IonicContact NZ-OE2 2.63Å; K90-E197 PolarHBondContact NZ-OE2 3.49Å
91	N	93.7	Very high	94.5	Very high	28 Å²	28	31 Å²	31	15%	0.15	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	150.1	-176.6	-72.7	-65.4	0	0	0	112.2	G89 L93 E197 F254 V255	G89-N91 PolarHBondContact O-N 2.88Å; N91-L93 PolarHBondContact O-N 3.42Å; N91-L93 VanDerWaalsContact O-N 3.09Å; N91-E197 HydrophobicContact CB-CB 3.57Å; N91-E197 HydrophobicContact CB-CG 4.03Å; N91-F254 HydrophobicContact CB-CD1 4.33Å; N91-V255 PolarHBondContact ND2-O 3.49Å; N91-V255 PolarHBondContact OD1-O 3.16Å
92	G	93.4	Very high	94.4	Very high	19 Å²	19	30.9 Å²	30.9	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-23.9	-179.5	0	0	0	0	0	114.8	R58 F59	R58-G92 CarbonylContact C-O 3.6Å; R58-G92 PolarHBondContact N-O 3.02Å; F59-G92 PolarHBondContact N-O 2.58Å
93	L	95.9	Very high	94.4	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.126	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	156.1	175.9	-57.5	-176.6	0	0	0	112	T57 F59 I86 K90 N91 F95 L145 V149 P196	T57-L93 VanDerWaalsContact CG2-C 3.48Å; F59-L93 HydrophobicContact CB-CD2 3.7Å; F59-L93 HydrophobicContact CD2-CD2 4.27Å; F59-L93 HydrophobicContact CG-CD2 4.24Å; F59-L93 CarbonylContact O-C 3.6Å; F59-L93 WeakPolarHBondContact O-CA 3.43Å; I86-L93 HydrophobicContact CD1-CD1 4.41Å; I86-L93 HydrophobicContact CG2-CD1 3.42Å; I86-L93 VanDerWaalsContact CG2-CD1 3.42Å; K90-L93 HydrophobicContact CD-CD1 4.31Å; K90-L93 HydrophobicContact CG-CD1 4.4Å; K90-L93 PolarHBondContact O-N 3.3Å; N91-L93 PolarHBondContact O-N 3.42Å; N91-L93 VanDerWaalsContact O-N 3.09Å; L93-F95 HydrophobicContact CB-CE2 4.22Å; L93-L145 HydrophobicContact CD1-CD2 4.24Å; L93-L145 HydrophobicContact CD2-CD2 4.15Å; L93-L145 HydrophobicContact CD2-CG 4.48Å; L93-V149 HydrophobicContact CD2-CG2 4.49Å; L93-P196 HydrophobicContact CD1-CG 3.96Å; L93-P196 HydrophobicContact CD2-CB 3.52Å; L93-P196 HydrophobicContact CD2-CG 3.57Å; L93-P196 HydrophobicContact CG-CB 4Å; L93-P196 HydrophobicContact CG-CG 3.52Å
94	G	96.1	Very high	94.4	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	147.8	168.1	0	0	0	0	0	111	F59 M61	F59-G94 PolarHBondContact O-N 3.32Å; M61-G94 PolarHBondContact N-O 3.04Å
95	F	97.6	Very high	94.4	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.6	-177.9	-59.5	-88.7	0	0	0	109.8	L42 M43 M61 L79 A83 I86 L93 L145	L42-F95 HydrophobicContact CD2-CB 3.58Å; M43-F95 VanDerWaalsContact CE-O 3.25Å; M43-F95 WeakPolarHBondContact CE-O 3.42Å; M43-F95 PolarHBondContact N-O 3.02Å; M61-F95 HydrophobicContact CB-CD1 3.97Å; M61-F95 HydrophobicContact CB-CE1 4.19Å; M61-F95 WeakPolarHBondContact O-CA 3.43Å; M61-F95 HydrophobicContact SD-CE1 4.16Å; L79-F95 HydrophobicContact CD1-CD1 3.94Å; L79-F95 HydrophobicContact CD1-CE1 4.36Å; L79-F95 HydrophobicContact CG-CD1 4.23Å; A83-F95 HydrophobicContact CB-CB 4.07Å; A83-F95 HydrophobicContact CB-CD1 4.24Å; A83-F95 HydrophobicContact CB-CD2 3.49Å; A83-F95 VanDerWaalsContact CB-CD2 3.49Å; A83-F95 HydrophobicContact CB-CE2 3.96Å; A83-F95 HydrophobicContact CB-CG 3.67Å; I86-F95 HydrophobicContact CD1-CZ 3.71Å; I86-F95 HydrophobicContact CG2-CE2 4.28Å; I86-F95 HydrophobicContact CG2-CZ 4.45Å; L93-F95 HydrophobicContact CB-CE2 4.22Å; F95-L145 HydrophobicContact CE1-CD2 3.8Å; F95-L145 HydrophobicContact CZ-CD2 3.6Å
96	G	97.3	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.1	-175.7	0	0	0	0	0	113.7	M43 M61 V62 I63	M43-G96 CarbonylContact O-C 3.59Å; M43-G96 WeakPolarHBondContact O-CA 3.32Å; M61-G96 PolarHBondContact O-N 2.94Å; V62-G96 WeakPolarHBondContact CA-O 3.33Å; I63-G96 PolarHBondContact N-O 3.34Å
97	K	97.4	Very high	94.6	Very high	12 Å²	12	38.3 Å²	38.3	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.8	-179.3	66.1	-168.8	177	-163.5	0	111.4	D39 L42 M43 L45 I63 Y65	D39-K97 VanDerWaalsContact CG-NZ 3.34Å; D39-K97 PolarHBondContact O-NZ 3.32Å; D39-K97 IonicContact OD2-NZ 3.68Å; D39-K97 PolarHBondContact OD2-NZ 3.39Å; L42-K97 HydrophobicContact CB-CB 4.49Å; L42-K97 HydrophobicContact CB-CD 3.88Å; L42-K97 HydrophobicContact CB-CG 4.2Å; L42-K97 HydrophobicContact CD1-CB 4.32Å; L42-K97 HydrophobicContact CD1-CD 4.01Å; M43-K97 PolarHBondContact O-N 2.99Å; L45-K97 PolarHBondContact N-O 2.75Å; I63-K97 HydrophobicContact CG2-CB 3.49Å; I63-K97 VanDerWaalsContact CG2-CB 3.49Å; I63-K97 WeakPolarHBondContact O-CA 3.48Å; Y65-K97 HydrophobicContact CD1-CB 3.96Å; Y65-K97 HydrophobicContact CE1-CB 3.65Å; Y65-K97 HydrophobicContact CE1-CD 3.99Å; Y65-K97 HydrophobicContact CE1-CG 3.82Å
98	V	98.1	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.9	178.5	175.2	0	0	0	0	107.9	L45 V62 I63 F64 Y65 I100 E103 L106	L45-V98 HydrophobicContact CB-CG2 3.96Å; V62-V98 HydrophobicContact CG1-CB 4.44Å; V62-V98 HydrophobicContact CG1-CG2 3.64Å; I63-V98 PolarHBondContact O-N 3.09Å; F64-V98 HydrophobicContact CD1-CB 3.72Å; F64-V98 HydrophobicContact CD1-CG1 3.81Å; F64-V98 HydrophobicContact CD1-CG2 4.22Å; F64-V98 HydrophobicContact CE1-CB 3.86Å; F64-V98 HydrophobicContact CE1-CG1 3.92Å; F64-V98 HydrophobicContact CE1-CG2 3.85Å; F64-V98 HydrophobicContact CZ-CG2 4.4Å; Y65-V98 VanDerWaalsContact CD1-O 3.24Å; Y65-V98 WeakPolarHBondContact CD1-O 3.22Å; Y65-V98 PolarHBondContact N-O 3.42Å; V98-I100 HydrophobicContact CG1-CG2 4.24Å; V98-I100 PolarHBondContact O-N 3.01Å; V98-E103 HydrophobicContact CG1-CB 3.81Å; V98-E103 HydrophobicContact CG1-CG 4.15Å; V98-L106 HydrophobicContact CG1-CB 4.19Å; V98-L106 HydrophobicContact CG1-CD1 3.72Å; V98-L106 HydrophobicContact CG2-CD1 4.18Å
99	D	97	Very high	95.3	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	103.3	172.6	-179.4	-5.7	0	0	0	109.8	Y65 P67 T101 V102 E103	Y65-D99 HydrophobicContact CE1-CB 4.29Å; P67-D99 VanDerWaalsContact CD-CG 3.42Å; P67-D99 WeakPolarHBondContact CD-OD1 3.48Å; P67-D99 HydrophobicContact CG-CB 4.35Å; P67-D99 WeakPolarHBondContact CG-OD2 3.37Å; D99-T101 VanDerWaalsContact CG-OG1 3.28Å; D99-T101 PolarHBondContact O-N 3.14Å; D99-T101 WeakPolarHBondContact OD1-CA 3.41Å; D99-T101 VanDerWaalsContact OD1-CB 3.3Å; D99-T101 WeakPolarHBondContact OD1-CB 3.48Å; D99-T101 PolarHBondContact OD1-N 2.7Å; D99-T101 PolarHBondContact OD1-OG1 3.34Å; D99-T101 PolarHBondContact OD2-OG1 2.92Å; D99-V102 PolarHBondContact O-N 3.14Å; D99-E103 WeakPolarHBondContact O-CB 3.36Å; D99-E103 PolarHBondContact O-N 3.5Å
100	I	96.3	Very high	95.8	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.046	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7.2	-179.4	66.5	118	0	0	0	114	F64 Y65 V98 K107 I112 T115	F64-I100 HydrophobicContact CB-CG2 3.91Å; F64-I100 HydrophobicContact CD1-CG2 3.89Å; F64-I100 HydrophobicContact CG-CG2 4.42Å; Y65-I100 VanDerWaalsContact O-CG1 3.31Å; Y65-I100 WeakPolarHBondContact O-CG1 3.12Å; Y65-I100 PolarHBondContact O-N 3.47Å; V98-I100 HydrophobicContact CG1-CG2 4.24Å; V98-I100 PolarHBondContact O-N 3.01Å; I100-K107 HydrophobicContact CB-CB 4.04Å; I100-K107 HydrophobicContact CB-CD 4.23Å; I100-K107 HydrophobicContact CB-CG 3.98Å; I100-K107 HydrophobicContact CD1-CD 3.93Å; I100-K107 HydrophobicContact CD1-CG 4.1Å; I100-K107 HydrophobicContact CG2-CB 4.21Å; I100-K107 HydrophobicContact CG2-CG 4.38Å; I100-I112 HydrophobicContact CD1-CG2 4.28Å; I100-I112 HydrophobicContact CG2-CG1 4.49Å; I100-I112 HydrophobicContact CG2-CG2 4.36Å; I100-T115 HydrophobicContact CD1-CG2 3.44Å; I100-T115 VanDerWaalsContact CD1-CG2 3.44Å; I100-T115 HydrophobicContact CG1-CG2 3.61Å
101	T	95.1	Very high	95.8	Very high	73 Å²	73	49 Å²	49	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-23.8	166.2	73	0	0	0	0	112.1	N66 D99	N66-T101 HydrophobicContact CB-CG2 4.08Å; D99-T101 VanDerWaalsContact CG-OG1 3.28Å; D99-T101 PolarHBondContact O-N 3.14Å; D99-T101 WeakPolarHBondContact OD1-CA 3.41Å; D99-T101 VanDerWaalsContact OD1-CB 3.3Å; D99-T101 WeakPolarHBondContact OD1-CB 3.48Å; D99-T101 PolarHBondContact OD1-N 2.7Å; D99-T101 PolarHBondContact OD1-OG1 3.34Å; D99-T101 PolarHBondContact OD2-OG1 2.92Å
102	V	95.6	Very high	95.9	Very high	99 Å²	99	48.1 Å²	48.1	60%	0.6	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-53	172.7	180	0	0	0	0	110.2	D99 M104	D99-V102 PolarHBondContact O-N 3.14Å; V102-M104 PolarHBondContact O-N 3.39Å
103	E	96.3	Very high	95.7	Very high	38 Å²	38	54.7 Å²	54.7	18%	0.178	27%	0.272	C	S	.	.			trans	-83.7	61.2	-170.1	-56	-64.9	-173.2	0	0	112.4	T46 P47 V98 D99 E105 L106 K107	T46-E103 WeakPolarHBondContact CA-OE1 3.49Å; P47-E103 VanDerWaalsContact CD-OE2 3.25Å; P47-E103 WeakPolarHBondContact CD-OE2 3.34Å; P47-E103 WeakPolarHBondContact CG-OE2 3.23Å; V98-E103 HydrophobicContact CG1-CB 3.81Å; V98-E103 HydrophobicContact CG1-CG 4.15Å; D99-E103 WeakPolarHBondContact O-CB 3.36Å; D99-E103 PolarHBondContact O-N 3.5Å; E103-E105 PolarHBondContact O-N 3.38Å; E103-L106 HydrophobicContact CB-CB 4.34Å; E103-L106 HydrophobicContact CB-CD1 4.07Å; E103-L106 HydrophobicContact CB-CG 4.27Å; E103-L106 HydrophobicContact CG-CD1 4.47Å; E103-L106 PolarHBondContact O-N 2.95Å; E103-K107 PolarHBondContact O-N 3.37Å
104	M	94.1	Very high	95.4	Very high	92 Å²	92	61 Å²	61	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-20.9	-173.9	-71.6	-75.3	-80.2	0	0	113.9	V102 K107 Q108	V102-M104 PolarHBondContact O-N 3.39Å; M104-K107 HydrophobicContact SD-CD 3.74Å; M104-Q108 WeakPolarHBondContact O-CG 3.04Å; M104-Q108 PolarHBondContact O-N 3.47Å; M104-Q108 PolarHBondContact O-NE2 2.97Å
105	E	95	Very high	95.2	Very high	147 Å²	147	62.4 Å²	62.4	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-70.7	-51.7	171.3	-64.3	-174.7	171.6	0	0	111	E103 K107 Q108 E109	E103-E105 PolarHBondContact O-N 3.38Å; E105-K107 PolarHBondContact O-N 3.04Å; E105-Q108 PolarHBondContact O-N 3.32Å; E105-E109 PolarHBondContact O-N 3.41Å
106	L	95.8	Very high	95.1	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-35.9	177.6	-57.5	-176.4	0	0	0	111.6	P47 L50 F64 V98 E103 Q108 E109 F110 R126	P47-L106 HydrophobicContact CB-CD1 4.43Å; P47-L106 HydrophobicContact CB-CD2 4Å; P47-L106 HydrophobicContact CB-CG 4.33Å; P47-L106 HydrophobicContact CG-CD1 4.16Å; P47-L106 HydrophobicContact CG-CD2 4.29Å; P47-L106 HydrophobicContact CG-CG 4.08Å; L50-L106 HydrophobicContact CD2-CD1 4.06Å; L50-L106 HydrophobicContact CD2-CD2 4.06Å; F64-L106 HydrophobicContact CE1-CB 4.42Å; V98-L106 HydrophobicContact CG1-CB 4.19Å; V98-L106 HydrophobicContact CG1-CD1 3.72Å; V98-L106 HydrophobicContact CG2-CD1 4.18Å; E103-L106 HydrophobicContact CB-CB 4.34Å; E103-L106 HydrophobicContact CB-CD1 4.07Å; E103-L106 HydrophobicContact CB-CG 4.27Å; E103-L106 HydrophobicContact CG-CD1 4.47Å; E103-L106 PolarHBondContact O-N 2.95Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 2.96Å; L106-E109 PolarHBondContact O-N 2.96Å; L106-F110 HydrophobicContact CB-CD2 4.32Å; L106-F110 HydrophobicContact CB-CE2 4.32Å; L106-F110 HydrophobicContact CD2-CE2 4.21Å; L106-F110 WeakPolarHBondContact O-CD2 3.44Å; L106-F110 PolarHBondContact O-N 3.09Å; L106-R126 VanDerWaalsContact CD2-NH2 3.3Å
107	K	96.1	Very high	95	Very high	68 Å²	68	64.6 Å²	64.6	30%	0.296	32%	0.32	S	S	.	.	H	α-helix	trans	-57.7	-42.2	173	-172.4	-167.9	-178.6	173.6	0	112.4	I100 E103 M104 E105 D111 I112	I100-K107 HydrophobicContact CB-CB 4.04Å; I100-K107 HydrophobicContact CB-CD 4.23Å; I100-K107 HydrophobicContact CB-CG 3.98Å; I100-K107 HydrophobicContact CD1-CD 3.93Å; I100-K107 HydrophobicContact CD1-CG 4.1Å; I100-K107 HydrophobicContact CG2-CB 4.21Å; I100-K107 HydrophobicContact CG2-CG 4.38Å; E103-K107 PolarHBondContact O-N 3.37Å; M104-K107 HydrophobicContact SD-CD 3.74Å; E105-K107 PolarHBondContact O-N 3.04Å; K107-D111 PolarHBondContact O-N 2.85Å; K107-I112 HydrophobicContact CG-CB 3.95Å; K107-I112 PolarHBondContact O-N 2.58Å
108	Q	95.7	Very high	95	Very high	149 Å²	149	64.4 Å²	64.4	70%	0.696	32%	0.319	S	S	*	.	H	α-helix	trans	-74.8	-45.9	178.3	-72.3	172.5	56.3	0	0	111.3	M104 E105 L106 F110 D111	M104-Q108 WeakPolarHBondContact O-CG 3.04Å; M104-Q108 PolarHBondContact O-N 3.47Å; M104-Q108 PolarHBondContact O-NE2 2.97Å; E105-Q108 PolarHBondContact O-N 3.32Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 2.96Å; Q108-F110 VanDerWaalsContact C-N 3.35Å; Q108-F110 PolarHBondContact O-N 3.39Å; Q108-D111 PolarHBondContact O-N 2.93Å; Q108-D111 VanDerWaalsContact O-N 3.15Å
109	E	95.6	Very high	95	Very high	97 Å²	97	65.1 Å²	65.1	45%	0.453	32%	0.322	S	S	.	.	H	α-helix	trans	-55.4	-46.7	-179.8	-175	-172.2	175.7	0	0	112.4	E105 L106 D111 R126	E105-E109 PolarHBondContact O-N 3.41Å; L106-E109 PolarHBondContact O-N 2.96Å; E109-D111 VanDerWaalsContact C-N 3.34Å; E109-R126 WeakPolarHBondContact OE1-CD 3.36Å; E109-R126 IonicContact OE1-CZ 2.6Å; E109-R126 IonicContact OE1-NE 2.62Å; E109-R126 PolarHBondContact OE1-NE 3.36Å; E109-R126 IonicContact OE1-NH2 2.68Å; E109-R126 IonicContact OE2-CZ 3.06Å; E109-R126 IonicContact OE2-NE 3.54Å; E109-R126 PolarHBondContact OE2-NE 3.28Å; E109-R126 IonicContact OE2-NH2 2.69Å; E109-R126 PolarHBondContact OE2-NH2 3.21Å
110	F	95.6	Very high	95	Very high	13 Å²	13	63.4 Å²	63.4	6%	0.057	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.8	-178.6	-57.7	-60	0	0	0	114	L50 F64 L106 Q108 I112 K119 F121 R126 P129	L50-F110 HydrophobicContact CD2-CE2 3.65Å; L50-F110 HydrophobicContact CD2-CZ 3.94Å; F64-F110 AromaticContact CE1-CD2 3.43Å; F64-F110 HydrophobicContact CE1-CD2 3.43Å; F64-F110 VanDerWaalsContact CE1-CD2 3.43Å; F64-F110 AromaticContact CE1-CE2 3.98Å; F64-F110 HydrophobicContact CE1-CE2 3.98Å; F64-F110 HydrophobicContact CE1-CG 4.31Å; F64-F110 HydrophobicContact CE2-CD2 4.34Å; F64-F110 HydrophobicContact CZ-CB 4.4Å; F64-F110 AromaticContact CZ-CD2 3.32Å; F64-F110 HydrophobicContact CZ-CD2 3.32Å; F64-F110 AromaticContact CZ-CE2 3.73Å; F64-F110 HydrophobicContact CZ-CE2 3.73Å; F64-F110 AromaticContact CZ-CG 3.96Å; F64-F110 HydrophobicContact CZ-CG 3.96Å; L106-F110 HydrophobicContact CB-CD2 4.32Å; L106-F110 HydrophobicContact CB-CE2 4.32Å; L106-F110 HydrophobicContact CD2-CE2 4.21Å; L106-F110 WeakPolarHBondContact O-CD2 3.44Å; L106-F110 PolarHBondContact O-N 3.09Å; Q108-F110 VanDerWaalsContact C-N 3.35Å; Q108-F110 PolarHBondContact O-N 3.39Å; F110-I112 VanDerWaalsContact C-N 3.31Å; F110-I112 HydrophobicContact CB-CD1 3.82Å; F110-I112 HydrophobicContact CB-CG1 4.09Å; F110-I112 PolarHBondContact O-N 3.03Å; F110-K119 PolarHBondContact O-NZ 3.4Å; F110-F121 HydrophobicContact CD1-CE1 4.32Å; F110-F121 HydrophobicContact CD1-CZ 4.18Å; F110-F121 AromaticContact CE1-CE1 3.65Å; F110-F121 HydrophobicContact CE1-CE1 3.65Å; F110-F121 AromaticContact CE1-CZ 3.77Å; F110-F121 HydrophobicContact CE1-CZ 3.77Å; F110-F121 HydrophobicContact CE2-CZ 4.4Å; F110-F121 AromaticContact CZ-CE1 3.98Å; F110-F121 HydrophobicContact CZ-CE1 3.98Å; F110-F121 AromaticContact CZ-CZ 3.89Å; F110-F121 HydrophobicContact CZ-CZ 3.89Å; F110-R126 HydrophobicContact CE1-CG 3.92Å; F110-R126 WeakPolarHBondContact CE1-O 3.38Å; F110-R126 HydrophobicContact CZ-CG 3.83Å; F110-P129 HydrophobicContact CD1-CG 4.46Å
111	D	94.4	Very high	95.1	Very high	96 Å²	96	63 Å²	63	51%	0.513	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	45.7	177.2	-171.5	33.5	0	0	0	113.3	K107 Q108 E109 K113	K107-D111 PolarHBondContact O-N 2.85Å; Q108-D111 PolarHBondContact O-N 2.93Å; Q108-D111 VanDerWaalsContact O-N 3.15Å; E109-D111 VanDerWaalsContact C-N 3.34Å; D111-K113 PolarHBondContact O-N 2.88Å; D111-K113 IonicContact OD1-NZ 2.71Å; D111-K113 PolarHBondContact OD1-NZ 3.06Å; D111-K113 IonicContact OD2-NZ 2.67Å; D111-K113 PolarHBondContact OD2-NZ 3.43Å
112	I	95.1	Very high	95.2	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.051	30%	0.299	C	S	.	.			trans	-75	92.1	-175.6	-51.3	-60.9	0	0	0	109.8	F64 I100 K107 F110 Q114 T115 E117 K119	F64-I112 HydrophobicContact CB-CD1 3.75Å; F64-I112 HydrophobicContact CB-CG1 4.05Å; F64-I112 HydrophobicContact CB-CG2 4.16Å; F64-I112 HydrophobicContact CD1-CD1 4.01Å; F64-I112 HydrophobicContact CD1-CG1 3.99Å; F64-I112 HydrophobicContact CD2-CD1 3.86Å; F64-I112 HydrophobicContact CG-CD1 3.58Å; F64-I112 HydrophobicContact CG-CG1 4Å; I100-I112 HydrophobicContact CD1-CG2 4.28Å; I100-I112 HydrophobicContact CG2-CG1 4.49Å; I100-I112 HydrophobicContact CG2-CG2 4.36Å; K107-I112 HydrophobicContact CG-CB 3.95Å; K107-I112 PolarHBondContact O-N 2.58Å; F110-I112 VanDerWaalsContact C-N 3.31Å; F110-I112 HydrophobicContact CB-CD1 3.82Å; F110-I112 HydrophobicContact CB-CG1 4.09Å; F110-I112 PolarHBondContact O-N 3.03Å; I112-Q114 WeakPolarHBondContact CG2-O 3.36Å; I112-T115 HydrophobicContact CG2-CG2 4.09Å; I112-E117 HydrophobicContact CD1-CB 4.2Å; I112-E117 WeakPolarHBondContact CD1-OE2 3.12Å; I112-E117 HydrophobicContact CG2-CB 4.5Å; I112-K119 HydrophobicContact CD1-CD 4.32Å; I112-K119 VanDerWaalsContact CD1-NZ 3.32Å
113	K	90.6	Very high	95.1	Very high	156 Å²	156	60.5 Å²	60.5	68%	0.678	29%	0.288	S	S	*	.			trans	-85.4	-30.3	-176.6	-73.1	-175.1	169	76.4	0	113.1	D111 E117	D111-K113 PolarHBondContact O-N 2.88Å; D111-K113 IonicContact OD1-NZ 2.71Å; D111-K113 PolarHBondContact OD1-NZ 3.06Å; D111-K113 IonicContact OD2-NZ 2.67Å; D111-K113 PolarHBondContact OD2-NZ 3.43Å; K113-E117 PolarHBondContact N-OE1 3.21Å
114	Q	89.7	Confident	94.9	Very high	157 Å²	157	59.8 Å²	59.8	73%	0.734	29%	0.29	S	S	*	.	S	Bend	trans	-135.5	166.6	179.1	-62.6	-171.6	8.8	0	0	110.1	I112	I112-Q114 WeakPolarHBondContact CG2-O 3.36Å
115	T	90.9	Very high	94.9	Very high	38 Å²	38	59.2 Å²	59.2	23%	0.233	29%	0.289	C	S	.	.	S	Bend	trans	-138.1	144.4	177.3	45.1	0	0	0	0	113	I100 I112	I100-T115 HydrophobicContact CD1-CG2 3.44Å; I100-T115 VanDerWaalsContact CD1-CG2 3.44Å; I100-T115 HydrophobicContact CG1-CG2 3.61Å; I112-T115 HydrophobicContact CG2-CG2 4.09Å
116	P	94.9	Very high	94.9	Very high	22 Å²	22	55.1 Å²	55.1	14%	0.143	27%	0.267	C	S	.	.	S	Bend	cis	-77.6	147.9	-1.6	32.3	-34.6	0	0	0	113.1	I63 F64 Q71 L75	I63-P116 HydrophobicContact CD1-CB 3.85Å; I63-P116 HydrophobicContact CG1-CB 4.03Å; F64-P116 WeakPolarHBondContact O-CA 3.31Å; Q71-P116 HydrophobicContact CG-CG 4.31Å; L75-P116 HydrophobicContact CB-CB 4.41Å; L75-P116 HydrophobicContact CB-CG 3.89Å; L75-P116 HydrophobicContact CD2-CB 3.9Å; L75-P116 HydrophobicContact CD2-CG 3.56Å; L75-P116 HydrophobicContact CG-CG 4.36Å
117	E	96	Very high	94.9	Very high	44 Å²	44	60.8 Å²	60.8	21%	0.206	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.4	164.5	-87.4	-175.2	-133.2	0	0	109.5	I63 F64 I112 K113 K119	I63-E117 WeakPolarHBondContact CA-O 3.41Å; F64-E117 HydrophobicContact CB-CB 4.35Å; F64-E117 PolarHBondContact N-O 3.2Å; F64-E117 PolarHBondContact O-N 3.13Å; I112-E117 HydrophobicContact CD1-CB 4.2Å; I112-E117 WeakPolarHBondContact CD1-OE2 3.12Å; I112-E117 HydrophobicContact CG2-CB 4.5Å; K113-E117 PolarHBondContact N-OE1 3.21Å; E117-K119 IonicContact OE2-NZ 2.69Å; E117-K119 PolarHBondContact OE2-NZ 2.89Å
118	L	97.1	Very high	94.8	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.6	-175.9	-174.5	51.5	0	0	0	109.4	M61 V62 I63 L75 L79 C132 L141	M61-L118 HydrophobicContact CE-CD1 4.24Å; M61-L118 HydrophobicContact CE-CD2 3.9Å; M61-L118 HydrophobicContact CE-CG 3.94Å; M61-L118 HydrophobicContact CG-CD1 4.03Å; V62-L118 WeakPolarHBondContact O-CD1 3.43Å; I63-L118 HydrophobicContact CB-CD1 4.02Å; L75-L118 HydrophobicContact CD1-CD2 4.44Å; L75-L118 HydrophobicContact CD2-CB 4.47Å; L75-L118 HydrophobicContact CD2-CD2 4.26Å; L79-L118 HydrophobicContact CD1-CD1 4.24Å; L79-L118 HydrophobicContact CD1-CD2 4.49Å; L79-L118 HydrophobicContact CD2-CD1 3.87Å; L118-C132 HydrophobicContact CB-CB 4.13Å; L118-C132 HydrophobicContact CD2-CB 4.23Å; L118-C132 HydrophobicContact CG-CB 3.89Å; L118-C132 PolarHBondContact O-N 2.9Å; L118-L141 HydrophobicContact CD2-CD2 3.57Å
119	K	97.3	Very high	94.8	Very high	15 Å²	15	55 Å²	55	7%	0.065	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.8	-169.7	-87	160.7	169.1	154.5	0	110.7	V62 F64 F110 I112 E117 F121 P129	V62-K119 PolarHBondContact N-O 3.23Å; V62-K119 PolarHBondContact O-N 3.43Å; F64-K119 HydrophobicContact CD2-CB 4.45Å; F64-K119 HydrophobicContact CD2-CD 4.15Å; F64-K119 HydrophobicContact CE2-CB 4.09Å; F64-K119 HydrophobicContact CE2-CD 4.01Å; F110-K119 PolarHBondContact O-NZ 3.4Å; I112-K119 HydrophobicContact CD1-CD 4.32Å; I112-K119 VanDerWaalsContact CD1-NZ 3.32Å; E117-K119 IonicContact OE2-NZ 2.69Å; E117-K119 PolarHBondContact OE2-NZ 2.89Å; K119-F121 HydrophobicContact CB-CE2 4.14Å; K119-P129 HydrophobicContact CB-CB 4.09Å; K119-P129 HydrophobicContact CD-CG 4.33Å; K119-P129 HydrophobicContact CG-CB 4.18Å; K119-P129 HydrophobicContact CG-CG 4.49Å
120	L	97.9	Very high	94.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.9	175.1	174.2	66.1	0	0	0	109.9	F59 M61 I130 W144 L145 Q148	F59-L120 HydrophobicContact CB-CD1 4.1Å; F59-L120 HydrophobicContact CD1-CD1 4.49Å; F59-L120 HydrophobicContact CD1-CD2 4.48Å; M61-L120 HydrophobicContact CB-CD1 4.32Å; L120-I130 HydrophobicContact CB-CB 4.34Å; L120-I130 PolarHBondContact N-O 3.04Å; L120-I130 PolarHBondContact O-N 2.94Å; L120-W144 HydrophobicContact CB-CH2 3.73Å; L120-W144 HydrophobicContact CB-CZ3 3.89Å; L120-W144 HydrophobicContact CD2-CH2 3.93Å; L120-W144 HydrophobicContact CD2-CZ3 3.79Å; L120-W144 HydrophobicContact CG-CH2 4.49Å; L120-W144 HydrophobicContact CG-CZ3 4.42Å; L120-L145 HydrophobicContact CD1-CD1 3.88Å; L120-L145 HydrophobicContact CD2-CD1 3.98Å; L120-Q148 HydrophobicContact CD2-CB 3.51Å; L120-Q148 HydrophobicContact CD2-CG 3.72Å
121	F	98	Very high	94.8	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.4	172.9	-60.6	-98.9	0	0	0	109.5	L54 F59 L60 V62 F64 F110 K119 P129	L54-F121 HydrophobicContact CD2-CB 3.41Å; L54-F121 VanDerWaalsContact CD2-CB 3.41Å; L54-F121 HydrophobicContact CD2-CD1 3.7Å; L54-F121 HydrophobicContact CD2-CD2 4.31Å; L54-F121 HydrophobicContact CD2-CG 3.57Å; F59-F121 WeakPolarHBondContact CA-O 3.29Å; L60-F121 HydrophobicContact CB-CB 4.37Å; L60-F121 PolarHBondContact N-O 2.82Å; L60-F121 PolarHBondContact O-N 2.92Å; V62-F121 HydrophobicContact CB-CD2 4.48Å; V62-F121 HydrophobicContact CB-CE2 4.04Å; V62-F121 HydrophobicContact CG2-CD2 3.87Å; V62-F121 HydrophobicContact CG2-CE2 3.78Å; F64-F121 HydrophobicContact CE2-CE2 4.27Å; F64-F121 HydrophobicContact CE2-CZ 4.39Å; F64-F121 HydrophobicContact CZ-CE2 4.45Å; F64-F121 HydrophobicContact CZ-CZ 4.3Å; F110-F121 HydrophobicContact CD1-CE1 4.32Å; F110-F121 HydrophobicContact CD1-CZ 4.18Å; F110-F121 AromaticContact CE1-CE1 3.65Å; F110-F121 HydrophobicContact CE1-CE1 3.65Å; F110-F121 AromaticContact CE1-CZ 3.77Å; F110-F121 HydrophobicContact CE1-CZ 3.77Å; F110-F121 HydrophobicContact CE2-CZ 4.4Å; F110-F121 AromaticContact CZ-CE1 3.98Å; F110-F121 HydrophobicContact CZ-CE1 3.98Å; F110-F121 AromaticContact CZ-CZ 3.89Å; F110-F121 HydrophobicContact CZ-CZ 3.89Å; K119-F121 HydrophobicContact CB-CE2 4.14Å; F121-P129 HydrophobicContact CD1-CB 3.88Å; F121-P129 HydrophobicContact CD2-CB 4.48Å; F121-P129 HydrophobicContact CE1-CB 3.66Å; F121-P129 HydrophobicContact CE1-CG 4Å; F121-P129 HydrophobicContact CE2-CB 4.28Å; F121-P129 HydrophobicContact CG-CB 4.3Å; F121-P129 HydrophobicContact CZ-CB 3.87Å; F121-P129 HydrophobicContact CZ-CG 4.26Å
122	F	96.8	Very high	94.8	Very high	41 Å²	41	50.6 Å²	50.6	18%	0.18	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.4	-179.5	175.4	-106.9	0	0	0	110.6	R58 F59 G124 N125 K152	R58-F122 HydrophobicContact CG-CE2 4.12Å; R58-F122 CarbonylContact O-C 3.5Å; R58-F122 WeakPolarHBondContact O-CA 3.28Å; R58-F122 WeakPolarHBondContact O-CD2 3.25Å; F59-F122 AromaticContact CD1-CD2 3.83Å; F59-F122 HydrophobicContact CD1-CD2 3.83Å; F59-F122 HydrophobicContact CD1-CE2 4.45Å; F59-F122 AromaticContact CE1-CD2 3.51Å; F59-F122 HydrophobicContact CE1-CD2 3.51Å; F59-F122 AromaticContact CE1-CE2 3.79Å; F59-F122 HydrophobicContact CE1-CE2 3.79Å; F59-F122 HydrophobicContact CE2-CD2 4.38Å; F59-F122 HydrophobicContact CE2-CE2 4.13Å; F59-F122 HydrophobicContact CG-CD2 4.39Å; F59-F122 AromaticContact CZ-CD2 3.81Å; F59-F122 HydrophobicContact CZ-CD2 3.81Å; F59-F122 AromaticContact CZ-CE2 3.59Å; F59-F122 HydrophobicContact CZ-CE2 3.59Å; F122-G124 VanDerWaalsContact C-N 3.26Å; F122-G124 PolarHBondContact O-N 3.4Å; F122-N125 VanDerWaalsContact O-CB 3.27Å; F122-N125 WeakPolarHBondContact O-CB 3.32Å; F122-N125 PolarHBondContact O-N 2.85Å; F122-K152 HydrophobicContact CD1-CD 3.92Å; F122-K152 HydrophobicContact CD1-CG 4.3Å; F122-K152 HydrophobicContact CD2-CB 4.16Å; F122-K152 HydrophobicContact CD2-CD 4.28Å; F122-K152 HydrophobicContact CD2-CG 3.76Å; F122-K152 HydrophobicContact CE1-CB 4.35Å; F122-K152 HydrophobicContact CE1-CD 4Å; F122-K152 HydrophobicContact CE1-CG 4.28Å; F122-K152 HydrophobicContact CE2-CB 3.6Å; F122-K152 HydrophobicContact CE2-CD 4.36Å; F122-K152 HydrophobicContact CE2-CG 3.74Å; F122-K152 HydrophobicContact CG-CD 4.05Å; F122-K152 HydrophobicContact CG-CG 4.04Å; F122-K152 HydrophobicContact CZ-CB 3.71Å; F122-K152 HydrophobicContact CZ-CD 4.21Å; F122-K152 HydrophobicContact CZ-CG 4.01Å
123	E	93.8	Very high	94.6	Very high	78 Å²	78	57.3 Å²	57.3	36%	0.364	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	46.9	178.7	-67.3	-175.3	165.6	0	0	113.6	R58 N125 K169	R58-E123 HydrophobicContact CG-CG 3.79Å; R58-E123 IonicContact CZ-OE1 2.85Å; R58-E123 IonicContact NE-OE1 3.54Å; R58-E123 PolarHBondContact NE-OE1 3.3Å; R58-E123 IonicContact NH2-OE1 3.47Å; R58-E123 PolarHBondContact O-N 3.2Å; E123-N125 PolarHBondContact O-N 3.2Å; E123-K169 IonicContact OE1-NZ 3.96Å; E123-K169 PolarHBondContact OE1-NZ 3.08Å; E123-K169 IonicContact OE2-NZ 2.86Å; E123-K169 PolarHBondContact OE2-NZ 2.72Å
124	G	93.1	Very high	94.4	Very high	23 Å²	23	57.4 Å²	57.4	24%	0.237	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	3.6	178.8	0	0	0	0	0	116.2	L54 F122 R126	L54-G124 WeakPolarHBondContact O-CA 3.31Å; L54-G124 PolarHBondContact O-N 3.31Å; F122-G124 VanDerWaalsContact C-N 3.26Å; F122-G124 PolarHBondContact O-N 3.4Å; G124-R126 VanDerWaalsContact C-N 3.35Å; G124-R126 PolarHBondContact O-N 2.81Å
125	N	94.4	Very high	94.6	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	29%	0.291	S	S	.	.			trans	-68.3	88.8	-179.9	-174.1	-12.1	0	0	0	111.8	F122 E123 S127 A128	F122-N125 VanDerWaalsContact O-CB 3.27Å; F122-N125 WeakPolarHBondContact O-CB 3.32Å; F122-N125 PolarHBondContact O-N 2.85Å; E123-N125 PolarHBondContact O-N 3.2Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 PolarHBondContact OD1-N 3.16Å; N125-A128 PolarHBondContact OD1-N 3.35Å; N125-A128 VanDerWaalsContact OD1-N 3.14Å
126	R	95.1	Very high	94.7	Very high	62 Å²	62	53.5 Å²	53.5	23%	0.234	30%	0.303	C	S	.	.			trans	-67.4	-30.5	179.1	-165.6	166.7	173.4	144	-4.8	113	L54 L106 E109 F110 G124	L54-R126 HydrophobicContact CD1-CB 4.07Å; L54-R126 HydrophobicContact CD1-CG 3.91Å; L106-R126 VanDerWaalsContact CD2-NH2 3.3Å; E109-R126 WeakPolarHBondContact OE1-CD 3.36Å; E109-R126 IonicContact OE1-CZ 2.6Å; E109-R126 IonicContact OE1-NE 2.62Å; E109-R126 PolarHBondContact OE1-NE 3.36Å; E109-R126 IonicContact OE1-NH2 2.68Å; E109-R126 IonicContact OE2-CZ 3.06Å; E109-R126 IonicContact OE2-NE 3.54Å; E109-R126 PolarHBondContact OE2-NE 3.28Å; E109-R126 IonicContact OE2-NH2 2.69Å; E109-R126 PolarHBondContact OE2-NH2 3.21Å; F110-R126 HydrophobicContact CE1-CG 3.92Å; F110-R126 WeakPolarHBondContact CE1-O 3.38Å; F110-R126 HydrophobicContact CZ-CG 3.83Å; G124-R126 VanDerWaalsContact C-N 3.35Å; G124-R126 PolarHBondContact O-N 2.81Å
127	S	93.8	Very high	94.7	Very high	119 Å²	119	57.3 Å²	57.3	83%	0.832	32%	0.319	S	S	*	.	S	Bend	trans	-80.8	-20.2	-172.6	-53	0	0	0	0	114.8	N125	N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 PolarHBondContact OD1-N 3.16Å
128	A	94.1	Very high	94.8	Very high	64 Å²	64	55.7 Å²	55.7	53%	0.529	31%	0.312	S	S	.	.	S	Bend	trans	-133.8	62.7	-177.4	0	0	0	0	0	113.4	N125	N125-A128 PolarHBondContact OD1-N 3.35Å; N125-A128 VanDerWaalsContact OD1-N 3.14Å
129	P	95.8	Very high	94.8	Very high	33 Å²	33	58.8 Å²	58.8	21%	0.214	33%	0.331	C	S	.	.			trans	-67.4	145.1	174.5	27.7	-33.4	0	0	0	112.5	F110 K119 F121	F110-P129 HydrophobicContact CD1-CG 4.46Å; K119-P129 HydrophobicContact CB-CB 4.09Å; K119-P129 HydrophobicContact CD-CG 4.33Å; K119-P129 HydrophobicContact CG-CB 4.18Å; K119-P129 HydrophobicContact CG-CG 4.49Å; F121-P129 HydrophobicContact CD1-CB 3.88Å; F121-P129 HydrophobicContact CD2-CB 4.48Å; F121-P129 HydrophobicContact CE1-CB 3.66Å; F121-P129 HydrophobicContact CE1-CG 4Å; F121-P129 HydrophobicContact CE2-CB 4.28Å; F121-P129 HydrophobicContact CG-CB 4.3Å; F121-P129 HydrophobicContact CZ-CB 3.87Å; F121-P129 HydrophobicContact CZ-CG 4.26Å
130	I	96.4	Very high	94.8	Very high	45 Å²	45	59.8 Å²	59.8	23%	0.231	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.9	176.9	-56.3	169.6	0	0	0	108.6	L120 C132 W144	L120-I130 HydrophobicContact CB-CB 4.34Å; L120-I130 PolarHBondContact N-O 3.04Å; L120-I130 PolarHBondContact O-N 2.94Å; I130-C132 PolarHBondContact O-N 2.9Å; I130-W144 HydrophobicContact CG2-CH2 4.22Å; I130-W144 HydrophobicContact CG2-CZ2 4.07Å
131	S	95.6	Very high	94.7	Very high	56 Å²	56	59.9 Å²	59.9	39%	0.392	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.4	176.2	-59.1	0	0	0	0	111.9	K133	S131-K133 PolarHBondContact O-N 3.08Å
132	C	95.1	Very high	94.7	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.2	166.7	-173.5	0	0	0	0	108.5	M61 L118 I130 W144	M61-C132 HydrophobicContact CE-CB 4.17Å; L118-C132 HydrophobicContact CB-CB 4.13Å; L118-C132 HydrophobicContact CD2-CB 4.23Å; L118-C132 HydrophobicContact CG-CB 3.89Å; L118-C132 PolarHBondContact O-N 2.9Å; I130-C132 PolarHBondContact O-N 2.9Å; C132-W144 HydrophobicContact CB-CD2 4.31Å; C132-W144 HydrophobicContact CB-CE3 4.3Å; C132-W144 HydrophobicContact CB-CH2 3.64Å; C132-W144 HydrophobicContact CB-CZ2 3.63Å; C132-W144 HydrophobicContact CB-CZ3 3.98Å
133	K	90.1	Very high	94.7	Very high	152 Å²	152	62.1 Å²	62.1	66%	0.661	36%	0.36	S	S	*	.			trans	-98.8	147.6	177.1	-61.8	-175.6	179.5	-178.5	0	110.6	S131 V135	S131-K133 PolarHBondContact O-N 3.08Å; K133-V135 PolarHBondContact O-N 2.86Å
134	D	86.5	Confident	94.8	Very high	158 Å²	158	60.2 Å²	60.2	85%	0.845	35%	0.35	S	S	*	.	S	Bend	trans	61	-9.5	168.2	-46.7	-52.6	0	0	0	117.3
135	V	93.3	Very high	95	Very high	32 Å²	32	59.3 Å²	59.3	19%	0.194	34%	0.339	C	S	.	.			trans	-85.3	113.3	170.4	-170.2	0	0	0	0	109.7	K133 A140 L141 W144	K133-V135 PolarHBondContact O-N 2.86Å; V135-A140 VanDerWaalsContact CG1-C 3.41Å; V135-A140 HydrophobicContact CG1-CB 3.62Å; V135-L141 HydrophobicContact CB-CD2 4.14Å; V135-L141 HydrophobicContact CG1-CB 4.5Å; V135-L141 HydrophobicContact CG1-CD2 3.73Å; V135-L141 HydrophobicContact CG1-CG 3.96Å; V135-W144 HydrophobicContact CG1-CB 4.47Å; V135-W144 HydrophobicContact CG2-CB 4.4Å; V135-W144 HydrophobicContact CG2-CG 4.3Å
136	V	92.9	Very high	95.1	Very high	81 Å²	81	58.9 Å²	58.9	49%	0.491	33%	0.332	S	S	.	.			trans	-128.6	-2.1	-174.7	-61.1	0	0	0	0	115.2	L75 E78	L75-V136 HydrophobicContact CD1-CB 4.04Å; L75-V136 HydrophobicContact CD1-CG1 4.22Å; E78-V136 WeakPolarHBondContact CB-O 3.5Å; E78-V136 WeakPolarHBondContact CG-O 3.43Å
137	E	96.4	Very high	95.1	Very high	101 Å²	101	63.3 Å²	63.3	47%	0.472	35%	0.348	S	S	.	.	S	Bend	trans	-103.1	138	177.6	-170.1	-170.3	138.3	0	0	110.5	T139 A140 L141	E137-T139 VanDerWaalsContact C-N 3.31Å; E137-T139 VanDerWaalsContact CD-OG1 3.28Å; E137-T139 PolarHBondContact O-N 3.27Å; E137-T139 WeakPolarHBondContact OE1-CG2 3.44Å; E137-T139 PolarHBondContact OE1-OG1 3.2Å; E137-A140 HydrophobicContact CB-CB 4.31Å; E137-A140 PolarHBondContact O-N 3.48Å; E137-A140 VanDerWaalsContact O-N 3.09Å; E137-L141 WeakPolarHBondContact O-CG 3.28Å; E137-L141 PolarHBondContact O-N 3.21Å
138	S	96.9	Very high	95.2	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-45.9	-47.8	176.6	36.4	0	0	0	0	113.8	E78 L141 V142	E78-S138 VanDerWaalsContact O-CB 3.26Å; E78-S138 WeakPolarHBondContact O-CB 3.47Å; E78-S138 VanDerWaalsContact OE2-CB 3.25Å; E78-S138 WeakPolarHBondContact OE2-CB 3.39Å; E78-S138 PolarHBondContact OE2-N 2.77Å; E78-S138 PolarHBondContact OE2-OG 3.36Å; S138-L141 PolarHBondContact O-N 3.28Å; S138-V142 WeakPolarHBondContact O-CG2 3.49Å; S138-V142 PolarHBondContact O-N 2.73Å
139	T	96.9	Very high	95.2	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-45	179.4	68.2	0	0	0	0	112.2	E137 V142 V143	E137-T139 VanDerWaalsContact C-N 3.31Å; E137-T139 VanDerWaalsContact CD-OG1 3.28Å; E137-T139 PolarHBondContact O-N 3.27Å; E137-T139 WeakPolarHBondContact OE1-CG2 3.44Å; E137-T139 PolarHBondContact OE1-OG1 3.2Å; T139-V142 WeakPolarHBondContact O-CB 3.44Å; T139-V142 PolarHBondContact O-N 3.31Å; T139-V143 PolarHBondContact O-N 2.74Å; T139-V143 VanDerWaalsContact O-N 3.17Å
140	A	97.3	Very high	95.1	Very high	37 Å²	37	56.3 Å²	56.3	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-70.4	-32	-179.1	0	0	0	0	0	112	V135 E137 V143 W144	V135-A140 VanDerWaalsContact CG1-C 3.41Å; V135-A140 HydrophobicContact CG1-CB 3.62Å; E137-A140 HydrophobicContact CB-CB 4.31Å; E137-A140 PolarHBondContact O-N 3.48Å; E137-A140 VanDerWaalsContact O-N 3.09Å; A140-V143 PolarHBondContact O-N 2.73Å; A140-W144 WeakPolarHBondContact O-CB 3.46Å; A140-W144 PolarHBondContact O-N 3.37Å
141	L	97.4	Very high	95	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-41.3	171.7	-72	171.4	0	0	0	111.6	M61 L75 E78 L79 A82 L118 V135 E137 S138 W144 L145	M61-L141 HydrophobicContact CE-CD2 3.87Å; L75-L141 HydrophobicContact CD1-CD1 4.37Å; E78-L141 HydrophobicContact CB-CD1 4.42Å; L79-L141 HydrophobicContact CB-CD1 4.45Å; L79-L141 HydrophobicContact CD1-CD1 4.16Å; A82-L141 HydrophobicContact CB-CB 3.97Å; A82-L141 HydrophobicContact CB-CD1 4.41Å; L118-L141 HydrophobicContact CD2-CD2 3.57Å; V135-L141 HydrophobicContact CB-CD2 4.14Å; V135-L141 HydrophobicContact CG1-CB 4.5Å; V135-L141 HydrophobicContact CG1-CD2 3.73Å; V135-L141 HydrophobicContact CG1-CG 3.96Å; E137-L141 WeakPolarHBondContact O-CG 3.28Å; E137-L141 PolarHBondContact O-N 3.21Å; S138-L141 PolarHBondContact O-N 3.28Å; L141-W144 PolarHBondContact O-N 2.87Å; L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 PolarHBondContact O-N 3.43Å
142	V	96.9	Very high	95	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-46.7	174.4	177.3	0	0	0	0	111	A82 I85 I86 S138 T139 W144 L145 R146	A82-V142 HydrophobicContact CB-CG2 3.97Å; I85-V142 HydrophobicContact CB-CG2 4.17Å; I85-V142 HydrophobicContact CG2-CG2 3.95Å; I86-V142 HydrophobicContact CD1-CB 4.28Å; I86-V142 HydrophobicContact CD1-CG1 4.07Å; I86-V142 HydrophobicContact CD1-CG2 3.82Å; I86-V142 HydrophobicContact CG1-CB 4.42Å; I86-V142 HydrophobicContact CG1-CG1 3.86Å; I86-V142 HydrophobicContact CG1-CG2 3.85Å; S138-V142 WeakPolarHBondContact O-CG2 3.49Å; S138-V142 PolarHBondContact O-N 2.73Å; T139-V142 WeakPolarHBondContact O-CB 3.44Å; T139-V142 PolarHBondContact O-N 3.31Å; V142-W144 PolarHBondContact O-N 3.26Å; V142-L145 PolarHBondContact O-N 3.45Å; V142-R146 WeakPolarHBondContact O-CB 3.4Å; V142-R146 WeakPolarHBondContact O-CG 3.43Å; V142-R146 PolarHBondContact O-N 3.03Å
143	V	96.6	Very high	94.9	Very high	70 Å²	70	61 Å²	61	42%	0.424	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-41.2	177.6	174.7	0	0	0	0	111.7	T139 A140 R147	T139-V143 PolarHBondContact O-N 2.74Å; T139-V143 VanDerWaalsContact O-N 3.17Å; A140-V143 PolarHBondContact O-N 2.73Å; V143-R147 WeakPolarHBondContact O-CG 3.3Å; V143-R147 PolarHBondContact O-N 3.36Å; V143-R147 VanDerWaalsContact O-N 3.15Å
144	W	97.3	Very high	95.1	Very high	38 Å²	38	55.6 Å²	55.6	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-47.9	175.9	-176.8	92.6	0	0	0	111.3	M61 L120 I130 C132 V135 A140 L141 V142 R147 Q148	M61-W144 HydrophobicContact CE-CE3 3.65Å; M61-W144 HydrophobicContact CE-CZ3 3.57Å; M61-W144 HydrophobicContact SD-CZ3 4.3Å; L120-W144 HydrophobicContact CB-CH2 3.73Å; L120-W144 HydrophobicContact CB-CZ3 3.89Å; L120-W144 HydrophobicContact CD2-CH2 3.93Å; L120-W144 HydrophobicContact CD2-CZ3 3.79Å; L120-W144 HydrophobicContact CG-CH2 4.49Å; L120-W144 HydrophobicContact CG-CZ3 4.42Å; I130-W144 HydrophobicContact CG2-CH2 4.22Å; I130-W144 HydrophobicContact CG2-CZ2 4.07Å; C132-W144 HydrophobicContact CB-CD2 4.31Å; C132-W144 HydrophobicContact CB-CE3 4.3Å; C132-W144 HydrophobicContact CB-CH2 3.64Å; C132-W144 HydrophobicContact CB-CZ2 3.63Å; C132-W144 HydrophobicContact CB-CZ3 3.98Å; V135-W144 HydrophobicContact CG1-CB 4.47Å; V135-W144 HydrophobicContact CG2-CB 4.4Å; V135-W144 HydrophobicContact CG2-CG 4.3Å; A140-W144 WeakPolarHBondContact O-CB 3.46Å; A140-W144 PolarHBondContact O-N 3.37Å; L141-W144 PolarHBondContact O-N 2.87Å; V142-W144 PolarHBondContact O-N 3.26Å; W144-R147 WeakPolarHBondContact O-CB 3.48Å; W144-R147 PolarHBondContact O-N 3.05Å; W144-Q148 HydrophobicContact CD2-CG 3.94Å; W144-Q148 HydrophobicContact CE3-CG 3.84Å; W144-Q148 HydrophobicContact CH2-CG 3.71Å; W144-Q148 HydrophobicContact CZ2-CG 3.8Å; W144-Q148 HydrophobicContact CZ3-CG 3.72Å; W144-Q148 WeakPolarHBondContact O-CG 3.26Å; W144-Q148 PolarHBondContact O-N 2.82Å
145	L	96.4	Very high	95.6	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-44.1	-179.9	-176.5	58.6	0	0	0	111.8	M61 I86 L93 F95 L120 L141 V142 R147 Q148 V149	M61-L145 HydrophobicContact SD-CD1 4.38Å; M61-L145 HydrophobicContact SD-CD2 4.25Å; I86-L145 HydrophobicContact CD1-CD2 3.98Å; L93-L145 HydrophobicContact CD1-CD2 4.24Å; L93-L145 HydrophobicContact CD2-CD2 4.15Å; L93-L145 HydrophobicContact CD2-CG 4.48Å; F95-L145 HydrophobicContact CE1-CD2 3.8Å; F95-L145 HydrophobicContact CZ-CD2 3.6Å; L120-L145 HydrophobicContact CD1-CD1 3.88Å; L120-L145 HydrophobicContact CD2-CD1 3.98Å; L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 PolarHBondContact O-N 3.43Å; V142-L145 PolarHBondContact O-N 3.45Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 3.44Å; L145-Q148 PolarHBondContact O-N 3.05Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 3.42Å
146	R	95.6	Very high	95.7	Very high	70 Å²	70	51 Å²	51	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-54	-41.7	172.8	-79.2	178.6	76.4	104	2.8	112.2	V142 V149 L150 K193 D194	V142-R146 WeakPolarHBondContact O-CB 3.4Å; V142-R146 WeakPolarHBondContact O-CG 3.43Å; V142-R146 PolarHBondContact O-N 3.03Å; R146-V149 PolarHBondContact O-N 3.2Å; R146-L150 PolarHBondContact O-N 3.33Å; R146-K193 HydrophobicContact CB-CB 4.04Å; R146-K193 HydrophobicContact CB-CG 4.46Å; R146-K193 HydrophobicContact CG-CB 4.27Å; R146-D194 IonicContact CZ-OD1 3.71Å; R146-D194 IonicContact CZ-OD2 3.5Å; R146-D194 VanDerWaalsContact NH1-CG 3.26Å; R146-D194 IonicContact NH1-OD1 3.54Å; R146-D194 PolarHBondContact NH1-OD1 3.06Å; R146-D194 IonicContact NH1-OD2 2.66Å; R146-D194 PolarHBondContact NH1-OD2 3.28Å; R146-D194 IonicContact NH2-OD1 2.93Å; R146-D194 IonicContact NH2-OD2 2.77Å; R146-D194 PolarHBondContact NH2-OD2 3.06Å
147	R	95.5	Very high	95.8	Very high	154 Å²	154	52.2 Å²	52.2	58%	0.581	26%	0.263	S	S	*	.	H	α-helix	trans	-65.7	-41.5	174.5	-69.7	171.3	179.9	-178.4	-0.3	112.2	V143 W144 L145 V149 L150 H151	V143-R147 WeakPolarHBondContact O-CG 3.3Å; V143-R147 PolarHBondContact O-N 3.36Å; V143-R147 VanDerWaalsContact O-N 3.15Å; W144-R147 WeakPolarHBondContact O-CB 3.48Å; W144-R147 PolarHBondContact O-N 3.05Å; L145-R147 VanDerWaalsContact C-N 3.27Å; L145-R147 PolarHBondContact O-N 3.44Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 3.26Å; R147-L150 PolarHBondContact O-N 3.07Å; R147-H151 PolarHBondContact O-CD2 2.87Å; R147-H151 PolarHBondContact O-N 2.97Å
148	Q	95.4	Very high	95.7	Very high	27 Å²	27	50 Å²	50	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-33	175.7	-59.5	-53.5	-30.7	0	0	113	L120 W144 L145 H151 K152	L120-Q148 HydrophobicContact CD2-CB 3.51Å; L120-Q148 HydrophobicContact CD2-CG 3.72Å; W144-Q148 HydrophobicContact CD2-CG 3.94Å; W144-Q148 HydrophobicContact CE3-CG 3.84Å; W144-Q148 HydrophobicContact CH2-CG 3.71Å; W144-Q148 HydrophobicContact CZ2-CG 3.8Å; W144-Q148 HydrophobicContact CZ3-CG 3.72Å; W144-Q148 WeakPolarHBondContact O-CG 3.26Å; W144-Q148 PolarHBondContact O-N 2.82Å; L145-Q148 PolarHBondContact O-N 3.05Å; Q148-H151 PolarHBondContact O-N 3.16Å; Q148-K152 WeakPolarHBondContact O-CG 3.5Å; Q148-K152 PolarHBondContact O-N 3.46Å
149	V	95.1	Very high	95.6	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-48	173.5	174.1	0	0	0	0	110.6	F59 L93 L145 R146 R147 K152 V192 P196	F59-V149 HydrophobicContact CD1-CG2 4.19Å; F59-V149 HydrophobicContact CD2-CG2 4.26Å; F59-V149 HydrophobicContact CE1-CB 4.36Å; F59-V149 HydrophobicContact CE1-CG2 3.98Å; F59-V149 HydrophobicContact CE2-CG1 4.24Å; F59-V149 HydrophobicContact CE2-CG2 4.06Å; F59-V149 HydrophobicContact CG-CG2 4.33Å; F59-V149 HydrophobicContact CZ-CB 4.09Å; F59-V149 HydrophobicContact CZ-CG1 4.09Å; F59-V149 HydrophobicContact CZ-CG2 3.91Å; L93-V149 HydrophobicContact CD2-CG2 4.49Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 3.42Å; R146-V149 PolarHBondContact O-N 3.2Å; R147-V149 VanDerWaalsContact C-N 3.32Å; R147-V149 PolarHBondContact O-N 3.26Å; V149-K152 PolarHBondContact O-N 3.12Å; V149-K152 VanDerWaalsContact O-N 3.15Å; V149-V192 WeakPolarHBondContact CG1-O 3.32Å; V149-P196 HydrophobicContact CG1-CB 4.03Å; V149-P196 HydrophobicContact CG2-CB 3.88Å
150	L	94.6	Very high	95.4	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-44	175.1	176.1	58.7	0	0	0	112.3	R146 R147 K152 A153 Y189 V192 K193 M202	R146-L150 PolarHBondContact O-N 3.33Å; R147-L150 PolarHBondContact O-N 3.07Å; L150-K152 PolarHBondContact O-N 3.34Å; L150-A153 PolarHBondContact O-N 2.88Å; L150-Y189 HydrophobicContact CD1-CD1 3.68Å; L150-Y189 HydrophobicContact CD1-CG 4.28Å; L150-V192 HydrophobicContact CD1-CB 4.31Å; L150-V192 HydrophobicContact CD1-CG1 4.02Å; L150-K193 HydrophobicContact CB-CG 4.1Å; L150-K193 HydrophobicContact CD2-CG 4.5Å; L150-M202 HydrophobicContact CD1-CE 4.09Å
151	H	93.7	Very high	95.3	Very high	124 Å²	124	54 Å²	54	57%	0.574	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-0.3	176.3	-62.9	174.3	0	0	0	114.8	R147 Q148	R147-H151 PolarHBondContact O-CD2 2.87Å; R147-H151 PolarHBondContact O-N 2.97Å; Q148-H151 PolarHBondContact O-N 3.16Å
152	K	94.3	Very high	95.2	Very high	71 Å²	71	53.9 Å²	53.9	31%	0.309	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	7.2	173	-62.6	-58.5	176	-159.5	0	114.1	F59 F122 Q148 V149 L150	F59-K152 HydrophobicContact CE1-CB 4.05Å; F59-K152 HydrophobicContact CE1-CG 3.82Å; F59-K152 HydrophobicContact CZ-CB 3.98Å; F59-K152 HydrophobicContact CZ-CG 4.27Å; F122-K152 HydrophobicContact CD1-CD 3.92Å; F122-K152 HydrophobicContact CD1-CG 4.3Å; F122-K152 HydrophobicContact CD2-CB 4.16Å; F122-K152 HydrophobicContact CD2-CD 4.28Å; F122-K152 HydrophobicContact CD2-CG 3.76Å; F122-K152 HydrophobicContact CE1-CB 4.35Å; F122-K152 HydrophobicContact CE1-CD 4Å; F122-K152 HydrophobicContact CE1-CG 4.28Å; F122-K152 HydrophobicContact CE2-CB 3.6Å; F122-K152 HydrophobicContact CE2-CD 4.36Å; F122-K152 HydrophobicContact CE2-CG 3.74Å; F122-K152 HydrophobicContact CG-CD 4.05Å; F122-K152 HydrophobicContact CG-CG 4.04Å; F122-K152 HydrophobicContact CZ-CB 3.71Å; F122-K152 HydrophobicContact CZ-CD 4.21Å; F122-K152 HydrophobicContact CZ-CG 4.01Å; Q148-K152 WeakPolarHBondContact O-CG 3.5Å; Q148-K152 PolarHBondContact O-N 3.46Å; V149-K152 PolarHBondContact O-N 3.12Å; V149-K152 VanDerWaalsContact O-N 3.15Å; L150-K152 PolarHBondContact O-N 3.34Å
153	A	93.8	Very high	95	Very high	15 Å²	15	54 Å²	54	12%	0.124	27%	0.268	C	S	.	.	S	Bend	trans	-86.4	116.3	158.2	0	0	0	0	0	108.5	L150 V192 F200 M202	L150-A153 PolarHBondContact O-N 2.88Å; A153-V192 HydrophobicContact CB-CG1 4.23Å; A153-F200 HydrophobicContact CB-CB 4.03Å; A153-M202 HydrophobicContact CB-CE 3.47Å; A153-M202 VanDerWaalsContact CB-CE 3.47Å; A153-M202 HydrophobicContact CB-SD 3.72Å
154	P	94.7	Very high	94.8	Very high	39 Å²	39	55.4 Å²	55.4	25%	0.253	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.4	140.6	175.3	27.4	-35.7	0	0	0	111.9	F156 F165 F200 G201 M202	P154-F156 HydrophobicContact CB-CD1 4.4Å; P154-F156 HydrophobicContact CB-CE1 3.97Å; P154-F156 HydrophobicContact CB-CZ 4.21Å; P154-F156 HydrophobicContact CG-CE1 3.69Å; P154-F156 HydrophobicContact CG-CE2 4.2Å; P154-F156 HydrophobicContact CG-CZ 3.5Å; P154-F156 VanDerWaalsContact CG-CZ 3.5Å; P154-F165 HydrophobicContact CG-CE1 4.33Å; P154-F165 HydrophobicContact CG-CE2 4.09Å; P154-F165 HydrophobicContact CG-CZ 3.94Å; P154-F200 WeakPolarHBondContact CD-O 3.28Å; P154-G201 CarbonylContact O-C 3.6Å; P154-G201 VanDerWaalsContact O-CA 3.26Å; P154-G201 WeakPolarHBondContact O-CA 3.48Å; P154-M202 PolarHBondContact O-N 2.97Å
155	L	96.6	Very high	94.7	Very high	84 Å²	84	56 Å²	56	44%	0.44	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.6	158	173.8	59.1	0	0	0	108.2	L180 M202	L155-L180 HydrophobicContact CD1-CD1 3.65Å; L155-L180 HydrophobicContact CD2-CD1 3.76Å; L155-L180 HydrophobicContact CG-CD1 4.39Å; L155-M202 WeakPolarHBondContact CA-O 3.45Å; L155-M202 HydrophobicContact CD1-CB 4.21Å
156	F	96	Very high	94.6	Very high	10 Å²	10	56 Å²	56	4%	0.044	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.3	-179.7	-55.1	-68.9	0	0	0	111.7	P154 E161 V162 F165 V174 M202 I203	P154-F156 HydrophobicContact CB-CD1 4.4Å; P154-F156 HydrophobicContact CB-CE1 3.97Å; P154-F156 HydrophobicContact CB-CZ 4.21Å; P154-F156 HydrophobicContact CG-CE1 3.69Å; P154-F156 HydrophobicContact CG-CE2 4.2Å; P154-F156 HydrophobicContact CG-CZ 3.5Å; P154-F156 VanDerWaalsContact CG-CZ 3.5Å; F156-E161 WeakPolarHBondContact CA-OE2 3.42Å; F156-E161 HydrophobicContact CB-CB 4.28Å; F156-E161 HydrophobicContact CD1-CB 3.87Å; F156-E161 HydrophobicContact CG-CB 4.46Å; F156-V162 HydrophobicContact CB-CG2 3.77Å; F156-V162 HydrophobicContact CD2-CB 4.5Å; F156-V162 HydrophobicContact CD2-CG2 3.55Å; F156-V162 HydrophobicContact CE2-CG2 4.2Å; F156-V162 HydrophobicContact CG-CG2 3.71Å; F156-F165 HydrophobicContact CE1-CB 3.85Å; F156-F165 HydrophobicContact CE1-CD1 4.3Å; F156-F165 HydrophobicContact CE1-CD2 4.27Å; F156-F165 AromaticContact CE1-CG 3.91Å; F156-F165 HydrophobicContact CE1-CG 3.91Å; F156-F165 HydrophobicContact CZ-CB 3.88Å; F156-F165 AromaticContact CZ-CD1 3.61Å; F156-F165 HydrophobicContact CZ-CD1 3.61Å; F156-F165 HydrophobicContact CZ-CD2 4.33Å; F156-F165 HydrophobicContact CZ-CE1 4.15Å; F156-F165 AromaticContact CZ-CG 3.7Å; F156-F165 HydrophobicContact CZ-CG 3.7Å; F156-V174 HydrophobicContact CD2-CG1 4.49Å; F156-V174 HydrophobicContact CE2-CG1 4.4Å; F156-V174 HydrophobicContact CE2-CG2 4.43Å; F156-M202 VanDerWaalsContact CD2-O 3.25Å; F156-M202 WeakPolarHBondContact CD2-O 3.35Å; F156-M202 PolarHBondContact N-O 3.07Å; F156-I203 HydrophobicContact CB-CB 4.23Å; F156-I203 HydrophobicContact CB-CD1 4.13Å; F156-I203 HydrophobicContact CB-CG1 4.36Å
157	N	94.9	Very high	94.5	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	29%	0.294	S	S	*	.	S	Bend	trans	-97.8	-10.2	-175.2	-50	-85.8	0	0	0	112.9	E161	N157-E161 PolarHBondContact N-OE2 3.45Å; N157-E161 PolarHBondContact ND2-OE1 3.28Å; N157-E161 PolarHBondContact ND2-OE2 3.39Å
158	N	94.6	Very high	94.2	Very high	53 Å²	53	61.3 Å²	61.3	28%	0.283	30%	0.303	S	S	.	.	S	Bend	trans	-161.2	167.7	-178.6	53.3	75.4	0	0	0	111.4	D160 E161 I203 N207	N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 3.01Å; N158-D160 PolarHBondContact OD1-N 2.86Å; N158-E161 VanDerWaalsContact ND2-CD 3.3Å; N158-E161 PolarHBondContact ND2-OE1 3.35Å; N158-E161 WeakPolarHBondContact OD1-CG 3.45Å; N158-E161 PolarHBondContact OD1-N 2.6Å; N158-I203 WeakPolarHBondContact O-CD1 3.22Å; N158-N207 WeakPolarHBondContact CA-O 3.49Å
159	S	93.6	Very high	94	Very high	19 Å²	19	61.4 Å²	61.4	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-68.6	-25.2	179.4	47.2	0	0	0	0	114.5	A163 N207 F209 F212	S159-A163 WeakPolarHBondContact O-CB 3.1Å; S159-A163 PolarHBondContact O-N 2.85Å; S159-N207 PolarHBondContact N-O 3.5Å; S159-F209 PolarHBondContact OG-O 2.79Å; S159-F209 VanDerWaalsContact OG-O 3.09Å; S159-F212 WeakPolarHBondContact O-CE2 3.33Å
160	D	93.1	Very high	93.8	Very high	115 Å²	115	65.5 Å²	65.5	62%	0.615	33%	0.329	S	S	*	.	H	α-helix	trans	-75.2	-40.4	-180	-69.8	-41.2	0	0	0	112.3	N158 V162 A163 D164	N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact O-N 3.01Å; N158-D160 PolarHBondContact OD1-N 2.86Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 3.16Å; D160-A163 WeakPolarHBondContact O-CB 3.5Å; D160-A163 PolarHBondContact O-N 2.69Å; D160-D164 PolarHBondContact O-N 2.95Å
161	E	94.9	Very high	93.8	Very high	70 Å²	70	64.6 Å²	64.6	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-54.6	-45.2	170.7	-79.3	169.9	-152.9	0	0	111.6	F156 N157 N158 F165	F156-E161 WeakPolarHBondContact CA-OE2 3.42Å; F156-E161 HydrophobicContact CB-CB 4.28Å; F156-E161 HydrophobicContact CD1-CB 3.87Å; F156-E161 HydrophobicContact CG-CB 4.46Å; N157-E161 PolarHBondContact N-OE2 3.45Å; N157-E161 PolarHBondContact ND2-OE1 3.28Å; N157-E161 PolarHBondContact ND2-OE2 3.39Å; N158-E161 VanDerWaalsContact ND2-CD 3.3Å; N158-E161 PolarHBondContact ND2-OE1 3.35Å; N158-E161 WeakPolarHBondContact OD1-CG 3.45Å; N158-E161 PolarHBondContact OD1-N 2.6Å; E161-F165 VanDerWaalsContact O-CB 3.31Å; E161-F165 WeakPolarHBondContact O-CB 3.33Å; E161-F165 PolarHBondContact O-N 3.38Å
162	V	95.1	Very high	93.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-49.7	173	-178.3	0	0	0	0	109.8	F156 D160 D164 F165 V166 V174 I203 F212 F222	F156-V162 HydrophobicContact CB-CG2 3.77Å; F156-V162 HydrophobicContact CD2-CB 4.5Å; F156-V162 HydrophobicContact CD2-CG2 3.55Å; F156-V162 HydrophobicContact CE2-CG2 4.2Å; F156-V162 HydrophobicContact CG-CG2 3.71Å; D160-V162 VanDerWaalsContact C-N 3.3Å; D160-V162 PolarHBondContact O-N 3.16Å; V162-D164 VanDerWaalsContact C-N 3.32Å; V162-D164 PolarHBondContact O-N 2.61Å; V162-F165 PolarHBondContact O-N 2.9Å; V162-V166 HydrophobicContact CG1-CG1 4.25Å; V162-V166 WeakPolarHBondContact O-CG1 3.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.45Å; V162-V166 PolarHBondContact O-N 2.96Å; V162-V174 HydrophobicContact CG1-CG2 4.32Å; V162-I203 HydrophobicContact CG2-CB 4.39Å; V162-I203 HydrophobicContact CG2-CD1 3.65Å; V162-I203 HydrophobicContact CG2-CG2 4.42Å; V162-F212 HydrophobicContact CB-CE2 3.73Å; V162-F212 HydrophobicContact CB-CZ 3.85Å; V162-F212 HydrophobicContact CG1-CE1 4.41Å; V162-F212 HydrophobicContact CG1-CE2 3.69Å; V162-F212 HydrophobicContact CG1-CZ 3.59Å; V162-F212 HydrophobicContact CG2-CE2 4.4Å; V162-F222 HydrophobicContact CG1-CZ 4.39Å
163	A	93.1	Very high	94.1	Very high	21 Å²	21	55.4 Å²	55.4	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-38.1	-175.6	0	0	0	0	0	112.6	S159 D160 V166 K167 F212	S159-A163 WeakPolarHBondContact O-CB 3.1Å; S159-A163 PolarHBondContact O-N 2.85Å; D160-A163 WeakPolarHBondContact O-CB 3.5Å; D160-A163 PolarHBondContact O-N 2.69Å; A163-V166 WeakPolarHBondContact O-CG2 3.42Å; A163-K167 VanDerWaalsContact O-CD 3.32Å; A163-K167 WeakPolarHBondContact O-CD 3.48Å; A163-K167 WeakPolarHBondContact O-CE 3.46Å; A163-K167 WeakPolarHBondContact O-CG 3.33Å; A163-K167 PolarHBondContact O-N 3.48Å; A163-F212 HydrophobicContact CB-CZ 4.13Å
164	D	93.3	Very high	94.2	Very high	100 Å²	100	54.7 Å²	54.7	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-76.3	-40.3	176.3	-79.9	-13.8	0	0	0	112.8	D160 V162 V166 K167 Y168	D160-D164 PolarHBondContact O-N 2.95Å; V162-D164 VanDerWaalsContact C-N 3.32Å; V162-D164 PolarHBondContact O-N 2.61Å; D164-V166 VanDerWaalsContact C-N 3.34Å; D164-V166 PolarHBondContact O-N 2.94Å; D164-K167 WeakPolarHBondContact O-CB 3.31Å; D164-K167 PolarHBondContact O-N 3.22Å; D164-K167 VanDerWaalsContact O-N 3.16Å; D164-K167 IonicContact OD1-NZ 3.31Å; D164-K167 PolarHBondContact OD1-NZ 3.46Å; D164-Y168 PolarHBondContact O-N 2.96Å
165	F	94.6	Very high	94.4	Very high	52 Å²	52	52.8 Å²	52.8	23%	0.228	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-41.1	177.4	-170.1	-97.3	0	0	0	112.4	P154 F156 E161 V162 K167 Y168 K169 V172 T199	P154-F165 HydrophobicContact CG-CE1 4.33Å; P154-F165 HydrophobicContact CG-CE2 4.09Å; P154-F165 HydrophobicContact CG-CZ 3.94Å; F156-F165 HydrophobicContact CE1-CB 3.85Å; F156-F165 HydrophobicContact CE1-CD1 4.3Å; F156-F165 HydrophobicContact CE1-CD2 4.27Å; F156-F165 AromaticContact CE1-CG 3.91Å; F156-F165 HydrophobicContact CE1-CG 3.91Å; F156-F165 HydrophobicContact CZ-CB 3.88Å; F156-F165 AromaticContact CZ-CD1 3.61Å; F156-F165 HydrophobicContact CZ-CD1 3.61Å; F156-F165 HydrophobicContact CZ-CD2 4.33Å; F156-F165 HydrophobicContact CZ-CE1 4.15Å; F156-F165 AromaticContact CZ-CG 3.7Å; F156-F165 HydrophobicContact CZ-CG 3.7Å; E161-F165 VanDerWaalsContact O-CB 3.31Å; E161-F165 WeakPolarHBondContact O-CB 3.33Å; E161-F165 PolarHBondContact O-N 3.38Å; V162-F165 PolarHBondContact O-N 2.9Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.2Å; F165-Y168 PolarHBondContact O-N 2.9Å; F165-K169 HydrophobicContact CE1-CG 4.26Å; F165-K169 HydrophobicContact CZ-CG 4.26Å; F165-K169 PolarHBondContact O-N 3.32Å; F165-V172 HydrophobicContact CD1-CG1 4Å; F165-V172 HydrophobicContact CD1-CG2 4.04Å; F165-V172 HydrophobicContact CE1-CG1 3.84Å; F165-V172 HydrophobicContact CE1-CG2 4.03Å; F165-T199 HydrophobicContact CE1-CG2 3.6Å; F165-T199 HydrophobicContact CZ-CG2 3.66Å
166	V	94.4	Very high	94.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-75.2	-14.3	178	-55.1	0	0	0	0	114.1	V162 A163 D164 V172 V174 F222 G225	V162-V166 HydrophobicContact CG1-CG1 4.25Å; V162-V166 WeakPolarHBondContact O-CG1 3.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.45Å; V162-V166 PolarHBondContact O-N 2.96Å; A163-V166 WeakPolarHBondContact O-CG2 3.42Å; D164-V166 VanDerWaalsContact C-N 3.34Å; D164-V166 PolarHBondContact O-N 2.94Å; V166-V172 HydrophobicContact CG1-CB 4.04Å; V166-V172 HydrophobicContact CG1-CG1 4.31Å; V166-V172 HydrophobicContact CG1-CG2 4.18Å; V166-V174 HydrophobicContact CG1-CG2 4.41Å; V166-F222 HydrophobicContact CB-CB 3.97Å; V166-F222 HydrophobicContact CB-CD1 3.98Å; V166-F222 HydrophobicContact CB-CG 3.94Å; V166-F222 HydrophobicContact CG1-CB 3.97Å; V166-F222 HydrophobicContact CG1-CD1 3.96Å; V166-F222 HydrophobicContact CG1-CD2 3.77Å; V166-F222 HydrophobicContact CG1-CE1 4.37Å; V166-F222 HydrophobicContact CG1-CE2 4.19Å; V166-F222 HydrophobicContact CG1-CG 3.64Å; V166-F222 HydrophobicContact CG1-CZ 4.47Å; V166-F222 HydrophobicContact CG2-CD1 3.82Å; V166-F222 HydrophobicContact CG2-CE1 4.16Å; V166-F222 HydrophobicContact CG2-CG 4.31Å; V166-G225 WeakPolarHBondContact O-CA 3.2Å; V166-G225 PolarHBondContact O-N 3.4Å
167	K	92.8	Very high	94.4	Very high	137 Å²	137	48.3 Å²	48.3	60%	0.596	24%	0.242	S	C	*	.	H	α-helix	trans	-76.2	-40.3	168.4	-69.9	161.3	-156.3	158.4	0	111.1	A163 D164 F165	A163-K167 VanDerWaalsContact O-CD 3.32Å; A163-K167 WeakPolarHBondContact O-CD 3.48Å; A163-K167 WeakPolarHBondContact O-CE 3.46Å; A163-K167 WeakPolarHBondContact O-CG 3.33Å; A163-K167 PolarHBondContact O-N 3.48Å; D164-K167 WeakPolarHBondContact O-CB 3.31Å; D164-K167 PolarHBondContact O-N 3.22Å; D164-K167 VanDerWaalsContact O-N 3.16Å; D164-K167 IonicContact OD1-NZ 3.31Å; D164-K167 PolarHBondContact OD1-NZ 3.46Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.2Å
168	Y	90.3	Very high	94.4	Very high	197 Å²	197	46.8 Å²	46.8	77%	0.773	23%	0.232	S	C	*	.	H	α-helix	trans	-75.8	-36.2	-175.4	-171	-101	0	0	0	113.3	D164 F165	D164-Y168 PolarHBondContact O-N 2.96Å; F165-Y168 PolarHBondContact O-N 2.9Å
169	K	90.9	Very high	94.4	Very high	29 Å²	29	47.4 Å²	47.4	13%	0.126	24%	0.235	C	C	.	.	S	Bend	trans	-95.4	138.6	-178.7	-65.6	-73.6	-177.7	171.7	0	111.5	E123 F165 L171 V172 T199	E123-K169 IonicContact OE1-NZ 3.96Å; E123-K169 PolarHBondContact OE1-NZ 3.08Å; E123-K169 IonicContact OE2-NZ 2.86Å; E123-K169 PolarHBondContact OE2-NZ 2.72Å; F165-K169 HydrophobicContact CE1-CG 4.26Å; F165-K169 HydrophobicContact CZ-CG 4.26Å; F165-K169 PolarHBondContact O-N 3.32Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 3.09Å; K169-V172 HydrophobicContact CB-CG2 3.44Å; K169-V172 VanDerWaalsContact CB-CG2 3.44Å; K169-V172 HydrophobicContact CG-CG2 4.21Å; K169-T199 HydrophobicContact CD-CG2 4.47Å; K169-T199 HydrophobicContact CG-CG2 4.34Å
170	P	90.1	Very high	94.4	Very high	94 Å²	94	47.8 Å²	47.8	61%	0.61	24%	0.235	S	C	*	.	S	Bend	trans	-71.2	-26.4	-176.2	28.8	-35.5	0	0	0	113.5	K223 K224	P170-K223 CarbonylContact O-C 3.54Å; P170-K223 WeakPolarHBondContact O-CA 3.46Å; P170-K224 PolarHBondContact O-N 3.43Å
171	L	94.3	Very high	94.4	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	130.2	175.6	-171.7	159.8	0	0	0	108.6	K169 I173 L198 F222 K223 Q250	K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 3.09Å; L171-I173 HydrophobicContact CD2-CG1 4.05Å; L171-L198 HydrophobicContact CD2-CD2 4.04Å; L171-F222 CarbonylContact C-O 3.57Å; L171-F222 VanDerWaalsContact CA-O 3.3Å; L171-F222 WeakPolarHBondContact CA-O 3.5Å; L171-K223 HydrophobicContact CB-CG 4.48Å; L171-K223 HydrophobicContact CD1-CD 4.21Å; L171-K223 HydrophobicContact CD1-CG 4.18Å; L171-K223 HydrophobicContact CG-CG 4.09Å; L171-Q250 HydrophobicContact CD1-CB 4.03Å; L171-Q250 HydrophobicContact CD1-CG 4.32Å
172	V	96.8	Very high	94.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141	173	-172	0	0	0	0	109.7	F165 V166 K169 V174 T199 F222	F165-V172 HydrophobicContact CD1-CG1 4Å; F165-V172 HydrophobicContact CD1-CG2 4.04Å; F165-V172 HydrophobicContact CE1-CG1 3.84Å; F165-V172 HydrophobicContact CE1-CG2 4.03Å; V166-V172 HydrophobicContact CG1-CB 4.04Å; V166-V172 HydrophobicContact CG1-CG1 4.31Å; V166-V172 HydrophobicContact CG1-CG2 4.18Å; K169-V172 HydrophobicContact CB-CG2 3.44Å; K169-V172 VanDerWaalsContact CB-CG2 3.44Å; K169-V172 HydrophobicContact CG-CG2 4.21Å; V172-V174 HydrophobicContact CG1-CG2 3.7Å; V172-T199 CarbonylContact C-O 3.54Å; V172-T199 WeakPolarHBondContact CA-O 3.31Å; V172-T199 HydrophobicContact CG1-CG2 4.43Å; V172-T199 HydrophobicContact CG2-CG2 4.39Å; V172-F222 PolarHBondContact N-O 3.13Å; V172-F222 PolarHBondContact O-N 2.85Å
173	I	97.4	Very high	94.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.9	171.6	-55.8	-175.6	0	0	0	108	L171 F188 L198 T199 F200 G201 V219 V221 V247 Q250	L171-I173 HydrophobicContact CD2-CG1 4.05Å; I173-F188 HydrophobicContact CG2-CE2 4.35Å; I173-L198 HydrophobicContact CD1-CD1 4.01Å; I173-T199 PolarHBondContact N-O 3.3Å; I173-F200 HydrophobicContact CB-CD1 3.67Å; I173-F200 HydrophobicContact CB-CE1 3.85Å; I173-F200 HydrophobicContact CD1-CE1 3.9Å; I173-F200 HydrophobicContact CD1-CZ 4.39Å; I173-F200 HydrophobicContact CG1-CE1 4.36Å; I173-F200 HydrophobicContact CG2-CD1 3.93Å; I173-F200 HydrophobicContact CG2-CE1 3.95Å; I173-F200 CarbonylContact O-C 3.58Å; I173-F200 WeakPolarHBondContact O-CA 3.44Å; I173-G201 PolarHBondContact O-N 2.58Å; I173-G201 VanDerWaalsContact O-N 3.08Å; I173-V219 HydrophobicContact CG2-CG1 3.4Å; I173-V221 HydrophobicContact CG1-CG1 4.34Å; I173-V221 HydrophobicContact CG1-CG2 4.24Å; I173-V247 HydrophobicContact CD1-CG2 4.07Å; I173-Q250 HydrophobicContact CD1-CG 3.98Å
174	V	97.6	Very high	94.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	-178.3	-174.3	0	0	0	0	109.8	F156 V162 V166 V172 F176 G201 I203 V219 L220 F222	F156-V174 HydrophobicContact CD2-CG1 4.49Å; F156-V174 HydrophobicContact CE2-CG1 4.4Å; F156-V174 HydrophobicContact CE2-CG2 4.43Å; V162-V174 HydrophobicContact CG1-CG2 4.32Å; V166-V174 HydrophobicContact CG1-CG2 4.41Å; V172-V174 HydrophobicContact CG1-CG2 3.7Å; V174-F176 HydrophobicContact CB-CD2 4.39Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CG1-CD2 4.03Å; V174-F176 HydrophobicContact CG1-CE2 3.59Å; V174-F176 HydrophobicContact CG1-CZ 4.14Å; V174-G201 WeakPolarHBondContact CA-O 3.3Å; V174-I203 HydrophobicContact CG1-CG2 4.08Å; V174-V219 WeakPolarHBondContact O-CA 3.34Å; V174-L220 PolarHBondContact N-O 3.34Å; V174-L220 PolarHBondContact O-N 3.4Å; V174-F222 HydrophobicContact CB-CE2 4.04Å; V174-F222 HydrophobicContact CG2-CD2 4.02Å; V174-F222 HydrophobicContact CG2-CE2 3.82Å
175	G	97.4	Very high	94.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132	168	0	0	0	0	0	110.9	G201 M202 I203	G175-G201 PolarHBondContact N-O 3.03Å; G175-M202 CarbonylContact O-C 3.56Å; G175-M202 WeakPolarHBondContact O-CA 3.31Å; G175-I203 PolarHBondContact O-N 2.97Å
176	F	96.9	Very high	94.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.4	175.1	-69.5	-108.1	0	0	0	107	V174 I203 I205 A208 F212 V214 D217 S218 L220 F222	V174-F176 HydrophobicContact CB-CD2 4.39Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CG1-CD2 4.03Å; V174-F176 HydrophobicContact CG1-CE2 3.59Å; V174-F176 HydrophobicContact CG1-CZ 4.14Å; F176-I203 WeakPolarHBondContact CA-O 3.38Å; F176-I203 HydrophobicContact CB-CG2 4.43Å; F176-I203 HydrophobicContact CD1-CG2 3.34Å; F176-I203 HydrophobicContact CD2-CG2 4.22Å; F176-I203 HydrophobicContact CE1-CG2 3.47Å; F176-I203 VanDerWaalsContact CE1-CG2 3.47Å; F176-I203 HydrophobicContact CE2-CG2 4.32Å; F176-I203 HydrophobicContact CG-CG2 3.73Å; F176-I203 HydrophobicContact CZ-CG2 3.97Å; F176-I205 HydrophobicContact CB-CG1 4.03Å; F176-A208 HydrophobicContact CD1-CB 3.91Å; F176-A208 HydrophobicContact CE1-CB 3.86Å; F176-F212 HydrophobicContact CE1-CB 4.3Å; F176-F212 AromaticContact CE1-CD2 3.87Å; F176-F212 HydrophobicContact CE1-CD2 3.87Å; F176-F212 HydrophobicContact CE1-CG 4.34Å; F176-F212 HydrophobicContact CZ-CB 4.25Å; F176-F212 AromaticContact CZ-CD2 3.85Å; F176-F212 HydrophobicContact CZ-CD2 3.85Å; F176-F212 HydrophobicContact CZ-CG 4.08Å; F176-V214 HydrophobicContact CB-CB 4.48Å; F176-V214 HydrophobicContact CB-CG1 3.77Å; F176-V214 HydrophobicContact CD1-CB 4Å; F176-V214 HydrophobicContact CD1-CG1 4.22Å; F176-V214 HydrophobicContact CD1-CG2 3.85Å; F176-V214 HydrophobicContact CD2-CG2 4.46Å; F176-V214 HydrophobicContact CE1-CG2 4.06Å; F176-V214 HydrophobicContact CG-CB 4.34Å; F176-V214 HydrophobicContact CG-CG1 4.11Å; F176-V214 HydrophobicContact CG-CG2 4.08Å; F176-V214 HydrophobicContact CZ-CG2 4.47Å; F176-D217 WeakPolarHBondContact O-CA 3.49Å; F176-S218 PolarHBondContact N-O 3.34Å; F176-S218 PolarHBondContact O-N 3.46Å; F176-L220 HydrophobicContact CD2-CD1 4.2Å; F176-L220 HydrophobicContact CD2-CG 3.97Å; F176-L220 HydrophobicContact CE2-CB 3.99Å; F176-L220 HydrophobicContact CE2-CD1 3.54Å; F176-L220 HydrophobicContact CE2-CG 3.66Å; F176-L220 HydrophobicContact CZ-CD1 3.83Å; F176-L220 HydrophobicContact CZ-CG 4.45Å; F176-F222 HydrophobicContact CE2-CE2 4.47Å
177	F	96.6	Very high	94.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.4	-174.8	-52.9	-69.2	0	0	0	111.9	D179 L180 V184 A185 F188 I203 E204 I205 D217 L233	F177-D179 VanDerWaalsContact CB-O 3.25Å; F177-D179 WeakPolarHBondContact CB-O 3.25Å; F177-L180 HydrophobicContact CB-CD2 4.39Å; F177-L180 HydrophobicContact CD2-CD2 4.17Å; F177-V184 HydrophobicContact CD1-CG1 4.03Å; F177-V184 HydrophobicContact CE1-CG2 4.28Å; F177-A185 HydrophobicContact CB-CB 4.45Å; F177-A185 HydrophobicContact CD1-CB 4.39Å; F177-A185 HydrophobicContact CD2-CB 4.09Å; F177-A185 HydrophobicContact CE2-CB 4.48Å; F177-A185 HydrophobicContact CG-CB 4.05Å; F177-F188 HydrophobicContact CE1-CB 4.38Å; F177-F188 HydrophobicContact CE2-CB 4.15Å; F177-F188 AromaticContact CE2-CD1 3.86Å; F177-F188 HydrophobicContact CE2-CD1 3.86Å; F177-F188 HydrophobicContact CE2-CE1 4.43Å; F177-F188 HydrophobicContact CE2-CG 4.02Å; F177-F188 HydrophobicContact CZ-CB 3.54Å; F177-F188 AromaticContact CZ-CD1 3.91Å; F177-F188 HydrophobicContact CZ-CD1 3.91Å; F177-F188 HydrophobicContact CZ-CD2 4.03Å; F177-F188 AromaticContact CZ-CG 3.57Å; F177-F188 HydrophobicContact CZ-CG 3.57Å; F177-I203 PolarHBondContact N-O 3.21Å; F177-I203 VanDerWaalsContact N-O 3.14Å; F177-E204 CarbonylContact O-C 3.53Å; F177-E204 VanDerWaalsContact O-CA 3.28Å; F177-E204 WeakPolarHBondContact O-CA 3.41Å; F177-I205 PolarHBondContact O-N 2.95Å; F177-D217 WeakPolarHBondContact CA-OD1 3.4Å; F177-D217 HydrophobicContact CD1-CB 4.36Å; F177-L233 HydrophobicContact CE1-CD1 4.26Å
178	Q	94.8	Very high	94.3	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	26%	0.257	S	S	.	.	S	Bend	trans	-66.4	-49.7	173.9	-56.8	-62.4	-6.6	0	0	110.8	I205 I215 D217	Q178-I205 HydrophobicContact CG-CD1 4.35Å; Q178-I215 PolarHBondContact NE2-O 3.47Å; Q178-D217 WeakPolarHBondContact CG-OD2 3.46Å; Q178-D217 PolarHBondContact N-OD1 3.18Å
179	D	93.8	Very high	94.5	Very high	65 Å²	65	46.9 Å²	46.9	35%	0.348	23%	0.23	S	C	.	.			trans	-126.5	155.5	174.3	-153.5	-56.9	0	0	0	109.7	F177 E181 E182	F177-D179 VanDerWaalsContact CB-O 3.25Å; F177-D179 WeakPolarHBondContact CB-O 3.25Å; D179-E181 PolarHBondContact OD1-N 3.39Å; D179-E182 HydrophobicContact CB-CG 4.07Å
180	L	93.6	Very high	94.6	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.141	24%	0.244	C	C	.	.	S	Bend	trans	-94.9	-11.4	178	-58.6	-179.9	0	0	0	112.4	L155 F177 A185 Y189 E204	L155-L180 HydrophobicContact CD1-CD1 3.65Å; L155-L180 HydrophobicContact CD2-CD1 3.76Å; L155-L180 HydrophobicContact CG-CD1 4.39Å; F177-L180 HydrophobicContact CB-CD2 4.39Å; F177-L180 HydrophobicContact CD2-CD2 4.17Å; L180-A185 WeakPolarHBondContact O-CB 3.39Å; L180-Y189 WeakPolarHBondContact O-CE2 3.26Å; L180-E204 HydrophobicContact CD1-CG 3.89Å; L180-E204 HydrophobicContact CD2-CG 4.07Å; L180-E204 HydrophobicContact CG-CG 3.79Å
181	E	93.7	Very high	94.8	Very high	188 Å²	188	45.5 Å²	45.5	88%	0.879	22%	0.219	S	C	*	.	S	Bend	trans	-93.5	-1.8	177.7	-58.1	-168.5	171.9	0	0	113.2	D179	D179-E181 PolarHBondContact OD1-N 3.39Å
182	E	92.3	Very high	94.8	Very high	92 Å²	92	44.8 Å²	44.8	43%	0.43	22%	0.215	S	C	.	.	S	Bend	trans	-78	154.3	177.4	-79.6	178.4	-179.8	0	0	113.9	D179 V184 A185 E186	D179-E182 HydrophobicContact CB-CG 4.07Å; E182-V184 HydrophobicContact CB-CG1 4.41Å; E182-V184 PolarHBondContact O-N 3.07Å; E182-V184 VanDerWaalsContact O-N 3.12Å; E182-A185 WeakPolarHBondContact O-CA 3.46Å; E182-A185 WeakPolarHBondContact O-CB 3.35Å; E182-A185 PolarHBondContact O-N 3.35Å; E182-E186 PolarHBondContact O-N 3.21Å
183	E	91.6	Very high	94.7	Very high	156 Å²	156	46.8 Å²	46.8	73%	0.729	22%	0.223	S	C	*	.	H	α-helix	trans	-55.4	-34.5	-176.7	-63.7	-171.3	-165.9	0	0	113.4	A185 E186 L187	E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 3.03Å; E183-E186 PolarHBondContact O-N 3.05Å; E183-L187 WeakPolarHBondContact O-CB 3.5Å; E183-L187 PolarHBondContact O-N 3.13Å
184	V	93.4	Very high	94.4	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-31.8	177.7	69.1	0	0	0	0	112.5	F177 E182 F188 D217 L233	F177-V184 HydrophobicContact CD1-CG1 4.03Å; F177-V184 HydrophobicContact CE1-CG2 4.28Å; E182-V184 HydrophobicContact CB-CG1 4.41Å; E182-V184 PolarHBondContact O-N 3.07Å; E182-V184 VanDerWaalsContact O-N 3.12Å; V184-F188 PolarHBondContact O-N 2.81Å; V184-D217 HydrophobicContact CG1-CB 4.34Å; V184-L233 HydrophobicContact CG2-CB 3.76Å; V184-L233 HydrophobicContact CG2-CD1 4.07Å
185	A	94.4	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-77.5	-42.1	174.5	0	0	0	0	0	111.1	F177 L180 E182 E183 L187 F188 Y189	F177-A185 HydrophobicContact CB-CB 4.45Å; F177-A185 HydrophobicContact CD1-CB 4.39Å; F177-A185 HydrophobicContact CD2-CB 4.09Å; F177-A185 HydrophobicContact CE2-CB 4.48Å; F177-A185 HydrophobicContact CG-CB 4.05Å; L180-A185 WeakPolarHBondContact O-CB 3.39Å; E182-A185 WeakPolarHBondContact O-CA 3.46Å; E182-A185 WeakPolarHBondContact O-CB 3.35Å; E182-A185 PolarHBondContact O-N 3.35Å; E183-A185 VanDerWaalsContact C-N 3.33Å; E183-A185 PolarHBondContact O-N 3.03Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.43Å; A185-F188 WeakPolarHBondContact O-CB 3.27Å; A185-F188 PolarHBondContact O-N 3.35Å; A185-F188 VanDerWaalsContact O-N 3.16Å; A185-Y189 HydrophobicContact CB-CE2 4.3Å; A185-Y189 WeakPolarHBondContact O-CD2 3.42Å; A185-Y189 PolarHBondContact O-N 3.47Å
186	E	93.8	Very high	94.1	Very high	132 Å²	132	50.6 Å²	50.6	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-59.6	-43.2	172.7	-175.3	173	-155.7	0	0	111.8	E182 E183 F188 Y189 D190	E182-E186 PolarHBondContact O-N 3.21Å; E183-E186 PolarHBondContact O-N 3.05Å; E186-F188 VanDerWaalsContact C-N 3.29Å; E186-F188 PolarHBondContact O-N 3.18Å; E186-Y189 CarbonylContact O-C 3.55Å; E186-Y189 WeakPolarHBondContact O-CB 3.17Å; E186-Y189 PolarHBondContact O-N 3.11Å; E186-Y189 VanDerWaalsContact O-N 3.11Å; E186-D190 PolarHBondContact O-N 3.39Å
187	L	94.6	Very high	94	Very high	47 Å²	47	51.6 Å²	51.6	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-38.4	175.6	-179.5	65.2	0	0	0	112.3	E183 A185 M191 N239 K240 L243	E183-L187 WeakPolarHBondContact O-CB 3.5Å; E183-L187 PolarHBondContact O-N 3.13Å; A185-L187 VanDerWaalsContact C-N 3.33Å; A185-L187 PolarHBondContact O-N 3.43Å; L187-M191 WeakPolarHBondContact O-CB 3.28Å; L187-M191 PolarHBondContact O-N 3.07Å; L187-N239 HydrophobicContact CD2-CB 4Å; L187-K240 HydrophobicContact CD1-CB 4.08Å; L187-K240 HydrophobicContact CD1-CD 4.07Å; L187-K240 HydrophobicContact CD1-CG 4.01Å; L187-K240 HydrophobicContact CD2-CB 4.06Å; L187-L243 HydrophobicContact CD2-CD1 3.88Å; L187-L243 HydrophobicContact CG-CD1 3.8Å
188	F	95.6	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-44.9	171.7	-174.4	-99.8	0	0	0	111.5	I173 F177 V184 A185 E186 D190 M191 V192 F200 M202 V219 L243	I173-F188 HydrophobicContact CG2-CE2 4.35Å; F177-F188 HydrophobicContact CE1-CB 4.38Å; F177-F188 HydrophobicContact CE2-CB 4.15Å; F177-F188 AromaticContact CE2-CD1 3.86Å; F177-F188 HydrophobicContact CE2-CD1 3.86Å; F177-F188 HydrophobicContact CE2-CE1 4.43Å; F177-F188 HydrophobicContact CE2-CG 4.02Å; F177-F188 HydrophobicContact CZ-CB 3.54Å; F177-F188 AromaticContact CZ-CD1 3.91Å; F177-F188 HydrophobicContact CZ-CD1 3.91Å; F177-F188 HydrophobicContact CZ-CD2 4.03Å; F177-F188 AromaticContact CZ-CG 3.57Å; F177-F188 HydrophobicContact CZ-CG 3.57Å; V184-F188 PolarHBondContact O-N 2.81Å; A185-F188 WeakPolarHBondContact O-CB 3.27Å; A185-F188 PolarHBondContact O-N 3.35Å; A185-F188 VanDerWaalsContact O-N 3.16Å; E186-F188 VanDerWaalsContact C-N 3.29Å; E186-F188 PolarHBondContact O-N 3.18Å; F188-D190 VanDerWaalsContact C-N 3.33Å; F188-D190 PolarHBondContact O-N 3.44Å; F188-M191 HydrophobicContact CD2-CE 3.31Å; F188-M191 HydrophobicContact CE2-CE 3.4Å; F188-M191 VanDerWaalsContact CE2-CE 3.4Å; F188-M191 HydrophobicContact CG-CE 4.03Å; F188-M191 HydrophobicContact CZ-CE 4.19Å; F188-M191 PolarHBondContact O-N 3.15Å; F188-V192 HydrophobicContact CD1-CG2 3.98Å; F188-V192 HydrophobicContact CE1-CG2 3.77Å; F188-V192 HydrophobicContact CZ-CG2 4.17Å; F188-V192 VanDerWaalsContact O-CG2 3.25Å; F188-V192 WeakPolarHBondContact O-CG2 3.45Å; F188-V192 PolarHBondContact O-N 3.19Å; F188-F200 HydrophobicContact CE2-CD1 4.37Å; F188-F200 AromaticContact CZ-CD1 3.88Å; F188-F200 HydrophobicContact CZ-CD1 3.88Å; F188-M202 HydrophobicContact CD1-CE 3.9Å; F188-M202 HydrophobicContact CD1-CG 4.14Å; F188-M202 HydrophobicContact CE1-CE 3.6Å; F188-M202 HydrophobicContact CE1-CG 3.86Å; F188-M202 HydrophobicContact CE1-SD 4.48Å; F188-V219 HydrophobicContact CD2-CG2 3.7Å; F188-V219 HydrophobicContact CE2-CG2 3.45Å; F188-V219 VanDerWaalsContact CE2-CG2 3.45Å; F188-V219 HydrophobicContact CZ-CG2 4.42Å; F188-L243 HydrophobicContact CD2-CD2 3.83Å; F188-L243 HydrophobicContact CE2-CD2 4.47Å
189	Y	94.7	Very high	93.9	Very high	52 Å²	52	49 Å²	49	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-38.7	177.5	-68	-43.2	0	0	0	112.9	L150 L180 A185 E186 K193 M202	L150-Y189 HydrophobicContact CD1-CD1 3.68Å; L150-Y189 HydrophobicContact CD1-CG 4.28Å; L180-Y189 WeakPolarHBondContact O-CE2 3.26Å; A185-Y189 HydrophobicContact CB-CE2 4.3Å; A185-Y189 WeakPolarHBondContact O-CD2 3.42Å; A185-Y189 PolarHBondContact O-N 3.47Å; E186-Y189 CarbonylContact O-C 3.55Å; E186-Y189 WeakPolarHBondContact O-CB 3.17Å; E186-Y189 PolarHBondContact O-N 3.11Å; E186-Y189 VanDerWaalsContact O-N 3.11Å; Y189-K193 VanDerWaalsContact O-CE 3.25Å; Y189-K193 WeakPolarHBondContact O-CE 3.26Å; Y189-K193 WeakPolarHBondContact O-CG 3.44Å; Y189-M202 HydrophobicContact CD1-CE 3.62Å; Y189-M202 HydrophobicContact CD1-CG 4.49Å; Y189-M202 HydrophobicContact CD1-SD 4.39Å; Y189-M202 HydrophobicContact CE1-CE 3.68Å; Y189-M202 HydrophobicContact CE1-CG 3.75Å; Y189-M202 HydrophobicContact CE1-SD 3.84Å
190	D	93.6	Very high	94.1	Very high	77 Å²	77	46 Å²	46	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-44.4	176.2	-159.8	56.7	0	0	0	112.4	E186 F188 V192 K193	E186-D190 PolarHBondContact O-N 3.39Å; F188-D190 VanDerWaalsContact C-N 3.33Å; F188-D190 PolarHBondContact O-N 3.44Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 2.89Å; D190-K193 VanDerWaalsContact O-CB 3.31Å; D190-K193 WeakPolarHBondContact O-CB 3.11Å; D190-K193 PolarHBondContact O-N 3.45Å; D190-K193 VanDerWaalsContact O-N 3.12Å; D190-K193 WeakPolarHBondContact OD1-CD 3.39Å; D190-K193 WeakPolarHBondContact OD1-CE 3.27Å; D190-K193 IonicContact OD1-NZ 3.22Å; D190-K193 PolarHBondContact OD1-NZ 3.03Å
191	M	93.6	Very high	94.2	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-42.8	173.9	175.6	-75.6	-64.7	0	0	112.3	L187 F188 K193 D194 F195 F200 V247	L187-M191 WeakPolarHBondContact O-CB 3.28Å; L187-M191 PolarHBondContact O-N 3.07Å; F188-M191 HydrophobicContact CD2-CE 3.31Å; F188-M191 HydrophobicContact CE2-CE 3.4Å; F188-M191 VanDerWaalsContact CE2-CE 3.4Å; F188-M191 HydrophobicContact CG-CE 4.03Å; F188-M191 HydrophobicContact CZ-CE 4.19Å; F188-M191 PolarHBondContact O-N 3.15Å; M191-K193 PolarHBondContact O-N 2.99Å; M191-K193 VanDerWaalsContact O-N 3.16Å; M191-D194 PolarHBondContact O-N 2.87Å; M191-F195 HydrophobicContact CG-CD2 4.19Å; M191-F195 HydrophobicContact CG-CE2 4.01Å; M191-F195 VanDerWaalsContact O-CD2 3.27Å; M191-F195 WeakPolarHBondContact O-CD2 3.36Å; M191-F195 HydrophobicContact SD-CD2 3.77Å; M191-F195 HydrophobicContact SD-CE2 4.15Å; M191-F200 HydrophobicContact CE-CD1 4.31Å; M191-F200 HydrophobicContact CE-CE1 3.72Å; M191-F200 HydrophobicContact CE-CZ 4.35Å; M191-F200 HydrophobicContact SD-CE1 3.77Å; M191-F200 HydrophobicContact SD-CZ 3.79Å; M191-V247 HydrophobicContact CE-CG2 4.06Å; M191-V247 HydrophobicContact SD-CB 4.47Å; M191-V247 HydrophobicContact SD-CG1 4.25Å; M191-V247 HydrophobicContact SD-CG2 3.68Å
192	V	94.7	Very high	94.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-32.8	179	167.1	0	0	0	0	112.6	V149 L150 A153 F188 D190 D194 F195 F200 M202	V149-V192 WeakPolarHBondContact CG1-O 3.32Å; L150-V192 HydrophobicContact CD1-CB 4.31Å; L150-V192 HydrophobicContact CD1-CG1 4.02Å; A153-V192 HydrophobicContact CB-CG1 4.23Å; F188-V192 HydrophobicContact CD1-CG2 3.98Å; F188-V192 HydrophobicContact CE1-CG2 3.77Å; F188-V192 HydrophobicContact CZ-CG2 4.17Å; F188-V192 VanDerWaalsContact O-CG2 3.25Å; F188-V192 WeakPolarHBondContact O-CG2 3.45Å; F188-V192 PolarHBondContact O-N 3.19Å; D190-V192 VanDerWaalsContact C-N 3.31Å; D190-V192 PolarHBondContact O-N 2.89Å; V192-D194 PolarHBondContact O-N 2.81Å; V192-F195 PolarHBondContact O-N 2.86Å; V192-F200 HydrophobicContact CB-CD2 4.35Å; V192-F200 HydrophobicContact CB-CG 4.44Å; V192-F200 HydrophobicContact CG1-CB 4.24Å; V192-F200 HydrophobicContact CG1-CD2 3.93Å; V192-F200 HydrophobicContact CG1-CG 4.19Å; V192-F200 HydrophobicContact CG2-CB 3.95Å; V192-F200 HydrophobicContact CG2-CD1 3.77Å; V192-F200 HydrophobicContact CG2-CD2 4.04Å; V192-F200 HydrophobicContact CG2-CE1 4.24Å; V192-F200 HydrophobicContact CG2-CE2 4.46Å; V192-F200 HydrophobicContact CG2-CG 3.66Å; V192-M202 HydrophobicContact CG1-CE 4.45Å; V192-M202 HydrophobicContact CG2-CE 3.92Å
193	K	94.3	Very high	94.5	Very high	43 Å²	43	31.7 Å²	31.7	19%	0.187	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-24.8	179.8	-57.8	161.5	-158.2	159.8	0	112.6	R146 L150 Y189 D190 M191	R146-K193 HydrophobicContact CB-CB 4.04Å; R146-K193 HydrophobicContact CB-CG 4.46Å; R146-K193 HydrophobicContact CG-CB 4.27Å; L150-K193 HydrophobicContact CB-CG 4.1Å; L150-K193 HydrophobicContact CD2-CG 4.5Å; Y189-K193 VanDerWaalsContact O-CE 3.25Å; Y189-K193 WeakPolarHBondContact O-CE 3.26Å; Y189-K193 WeakPolarHBondContact O-CG 3.44Å; D190-K193 VanDerWaalsContact O-CB 3.31Å; D190-K193 WeakPolarHBondContact O-CB 3.11Å; D190-K193 PolarHBondContact O-N 3.45Å; D190-K193 VanDerWaalsContact O-N 3.12Å; D190-K193 WeakPolarHBondContact OD1-CD 3.39Å; D190-K193 WeakPolarHBondContact OD1-CE 3.27Å; D190-K193 IonicContact OD1-NZ 3.22Å; D190-K193 PolarHBondContact OD1-NZ 3.03Å; M191-K193 PolarHBondContact O-N 2.99Å; M191-K193 VanDerWaalsContact O-N 3.16Å
194	D	92.2	Very high	94.8	Very high	62 Å²	62	26 Å²	26	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-89.9	-11	-176.6	-85.6	-58.3	0	0	0	114.6	K90 R146 M191 V192 P196	K90-D194 WeakPolarHBondContact CE-O 3.49Å; K90-D194 PolarHBondContact NZ-O 3.35Å; R146-D194 IonicContact CZ-OD1 3.71Å; R146-D194 IonicContact CZ-OD2 3.5Å; R146-D194 VanDerWaalsContact NH1-CG 3.26Å; R146-D194 IonicContact NH1-OD1 3.54Å; R146-D194 PolarHBondContact NH1-OD1 3.06Å; R146-D194 IonicContact NH1-OD2 2.66Å; R146-D194 PolarHBondContact NH1-OD2 3.28Å; R146-D194 IonicContact NH2-OD1 2.93Å; R146-D194 IonicContact NH2-OD2 2.77Å; R146-D194 PolarHBondContact NH2-OD2 3.06Å; M191-D194 PolarHBondContact O-N 2.87Å; V192-D194 PolarHBondContact O-N 2.81Å; D194-P196 WeakPolarHBondContact O-CD 3.49Å
195	F	93.8	Very high	94.9	Very high	16 Å²	16	26.4 Å²	26.4	7%	0.07	13%	0.128	C	C	.	.			trans	-124.7	55.9	-175.3	-57.8	-72.2	0	0	0	114.3	M191 V192 E197 L198 F200 V247 L251	M191-F195 HydrophobicContact CG-CD2 4.19Å; M191-F195 HydrophobicContact CG-CE2 4.01Å; M191-F195 VanDerWaalsContact O-CD2 3.27Å; M191-F195 WeakPolarHBondContact O-CD2 3.36Å; M191-F195 HydrophobicContact SD-CD2 3.77Å; M191-F195 HydrophobicContact SD-CE2 4.15Å; V192-F195 PolarHBondContact O-N 2.86Å; F195-E197 VanDerWaalsContact CA-OE2 3.28Å; F195-E197 WeakPolarHBondContact CA-OE2 3.31Å; F195-E197 PolarHBondContact O-N 3.36Å; F195-L198 HydrophobicContact CB-CB 4.46Å; F195-L198 HydrophobicContact CB-CD1 4.26Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-F200 HydrophobicContact CB-CE2 3.79Å; F195-F200 HydrophobicContact CB-CZ 3.86Å; F195-F200 WeakPolarHBondContact O-CE2 3.46Å; F195-V247 HydrophobicContact CB-CG1 4.43Å; F195-V247 HydrophobicContact CD1-CG1 4.11Å; F195-V247 HydrophobicContact CD2-CG1 3.58Å; F195-V247 HydrophobicContact CE1-CG1 4.29Å; F195-V247 HydrophobicContact CE2-CG1 3.79Å; F195-V247 HydrophobicContact CG-CG1 3.75Å; F195-V247 HydrophobicContact CZ-CG1 4.14Å; F195-L251 HydrophobicContact CD1-CD1 3.76Å; F195-L251 HydrophobicContact CD1-CD2 4.31Å; F195-L251 HydrophobicContact CE1-CD1 3.57Å
196	P	94.8	Very high	94.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.013	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.8	176.3	22.4	-34.2	0	0	0	115.1	R58 F59 L93 V149 D194 L198	R58-P196 PolarHBondContact NH1-O 3.42Å; F59-P196 HydrophobicContact CD2-CB 3.67Å; F59-P196 HydrophobicContact CE2-CB 3.79Å; L93-P196 HydrophobicContact CD1-CG 3.96Å; L93-P196 HydrophobicContact CD2-CB 3.52Å; L93-P196 HydrophobicContact CD2-CG 3.57Å; L93-P196 HydrophobicContact CG-CB 4Å; L93-P196 HydrophobicContact CG-CG 3.52Å; V149-P196 HydrophobicContact CG1-CB 4.03Å; V149-P196 HydrophobicContact CG2-CB 3.88Å; D194-P196 WeakPolarHBondContact O-CD 3.49Å; P196-L198 VanDerWaalsContact C-N 3.3Å
197	E	93.4	Very high	94.8	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.103	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.8	171.2	53.9	-94.4	-110.1	0	0	114.7	K90 N91 F195 L251 F254	K90-E197 IonicContact NZ-OE1 3.74Å; K90-E197 PolarHBondContact NZ-OE1 2.92Å; K90-E197 IonicContact NZ-OE2 2.63Å; K90-E197 PolarHBondContact NZ-OE2 3.49Å; N91-E197 HydrophobicContact CB-CB 3.57Å; N91-E197 HydrophobicContact CB-CG 4.03Å; F195-E197 VanDerWaalsContact CA-OE2 3.28Å; F195-E197 WeakPolarHBondContact CA-OE2 3.31Å; F195-E197 PolarHBondContact O-N 3.36Å; E197-L251 HydrophobicContact CG-CD2 3.68Å; E197-F254 HydrophobicContact CB-CE1 4.15Å; E197-F254 HydrophobicContact CB-CZ 4.48Å
198	L	95	Very high	94.4	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-104.2	144.3	-176.9	-63.8	175.4	0	0	0	111.7	R58 L171 I173 F195 P196 F200 V247 Q250 L251 F254	R58-L198 PolarHBondContact NH1-O 2.92Å; L171-L198 HydrophobicContact CD2-CD2 4.04Å; I173-L198 HydrophobicContact CD1-CD1 4.01Å; F195-L198 HydrophobicContact CB-CB 4.46Å; F195-L198 HydrophobicContact CB-CD1 4.26Å; F195-L198 PolarHBondContact O-N 2.86Å; P196-L198 VanDerWaalsContact C-N 3.3Å; L198-F200 HydrophobicContact CB-CD2 4.41Å; L198-F200 HydrophobicContact CB-CE2 3.7Å; L198-F200 HydrophobicContact CB-CZ 3.93Å; L198-F200 HydrophobicContact CD1-CZ 4.3Å; L198-F200 WeakPolarHBondContact O-CD2 3.46Å; L198-V247 HydrophobicContact CD1-CG1 3.69Å; L198-Q250 HydrophobicContact CD1-CB 4.23Å; L198-Q250 HydrophobicContact CD2-CB 4.03Å; L198-L251 HydrophobicContact CD1-CD2 3.73Å; L198-L251 HydrophobicContact CD1-CG 4.34Å; L198-L251 HydrophobicContact CD2-CD2 4.31Å; L198-L251 HydrophobicContact CG-CD2 3.95Å; L198-F254 HydrophobicContact CD2-CE2 4.1Å; L198-F254 HydrophobicContact CD2-CZ 4.27Å
199	T	95.4	Very high	93.5	Very high	15 Å²	15	35.1 Å²	35.1	9%	0.092	17%	0.166	C	C	.	.			trans	-89.1	121.6	175.4	-56.8	0	0	0	0	109.5	F165 K169 V172 I173	F165-T199 HydrophobicContact CE1-CG2 3.6Å; F165-T199 HydrophobicContact CZ-CG2 3.66Å; K169-T199 HydrophobicContact CD-CG2 4.47Å; K169-T199 HydrophobicContact CG-CG2 4.34Å; V172-T199 CarbonylContact C-O 3.54Å; V172-T199 WeakPolarHBondContact CA-O 3.31Å; V172-T199 HydrophobicContact CG1-CG2 4.43Å; V172-T199 HydrophobicContact CG2-CG2 4.39Å; I173-T199 PolarHBondContact N-O 3.3Å
200	F	97	Very high	92.4	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	166.9	177	-63.5	-86.9	0	0	0	111.5	A153 P154 I173 F188 M191 V192 F195 L198 V247	A153-F200 HydrophobicContact CB-CB 4.03Å; P154-F200 WeakPolarHBondContact CD-O 3.28Å; I173-F200 HydrophobicContact CB-CD1 3.67Å; I173-F200 HydrophobicContact CB-CE1 3.85Å; I173-F200 HydrophobicContact CD1-CE1 3.9Å; I173-F200 HydrophobicContact CD1-CZ 4.39Å; I173-F200 HydrophobicContact CG1-CE1 4.36Å; I173-F200 HydrophobicContact CG2-CD1 3.93Å; I173-F200 HydrophobicContact CG2-CE1 3.95Å; I173-F200 CarbonylContact O-C 3.58Å; I173-F200 WeakPolarHBondContact O-CA 3.44Å; F188-F200 HydrophobicContact CE2-CD1 4.37Å; F188-F200 AromaticContact CZ-CD1 3.88Å; F188-F200 HydrophobicContact CZ-CD1 3.88Å; M191-F200 HydrophobicContact CE-CD1 4.31Å; M191-F200 HydrophobicContact CE-CE1 3.72Å; M191-F200 HydrophobicContact CE-CZ 4.35Å; M191-F200 HydrophobicContact SD-CE1 3.77Å; M191-F200 HydrophobicContact SD-CZ 3.79Å; V192-F200 HydrophobicContact CB-CD2 4.35Å; V192-F200 HydrophobicContact CB-CG 4.44Å; V192-F200 HydrophobicContact CG1-CB 4.24Å; V192-F200 HydrophobicContact CG1-CD2 3.93Å; V192-F200 HydrophobicContact CG1-CG 4.19Å; V192-F200 HydrophobicContact CG2-CB 3.95Å; V192-F200 HydrophobicContact CG2-CD1 3.77Å; V192-F200 HydrophobicContact CG2-CD2 4.04Å; V192-F200 HydrophobicContact CG2-CE1 4.24Å; V192-F200 HydrophobicContact CG2-CE2 4.46Å; V192-F200 HydrophobicContact CG2-CG 3.66Å; F195-F200 HydrophobicContact CB-CE2 3.79Å; F195-F200 HydrophobicContact CB-CZ 3.86Å; F195-F200 WeakPolarHBondContact O-CE2 3.46Å; L198-F200 HydrophobicContact CB-CD2 4.41Å; L198-F200 HydrophobicContact CB-CE2 3.7Å; L198-F200 HydrophobicContact CB-CZ 3.93Å; L198-F200 HydrophobicContact CD1-CZ 4.3Å; L198-F200 WeakPolarHBondContact O-CD2 3.46Å; F200-V247 HydrophobicContact CE1-CG2 4.29Å; F200-V247 HydrophobicContact CZ-CG1 4.37Å
201	G	96.7	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	171.4	164.1	0	0	0	0	0	110.6	P154 I173 V174 G175	P154-G201 CarbonylContact O-C 3.6Å; P154-G201 VanDerWaalsContact O-CA 3.26Å; P154-G201 WeakPolarHBondContact O-CA 3.48Å; I173-G201 PolarHBondContact O-N 2.58Å; I173-G201 VanDerWaalsContact O-N 3.08Å; V174-G201 WeakPolarHBondContact CA-O 3.3Å; G175-G201 PolarHBondContact N-O 3.03Å
202	M	96.4	Very high	91.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	-178.6	-55.3	87.9	-176	0	0	111.1	L150 A153 P154 L155 F156 G175 F188 Y189 V192	L150-M202 HydrophobicContact CD1-CE 4.09Å; A153-M202 HydrophobicContact CB-CE 3.47Å; A153-M202 VanDerWaalsContact CB-CE 3.47Å; A153-M202 HydrophobicContact CB-SD 3.72Å; P154-M202 PolarHBondContact O-N 2.97Å; L155-M202 WeakPolarHBondContact CA-O 3.45Å; L155-M202 HydrophobicContact CD1-CB 4.21Å; F156-M202 VanDerWaalsContact CD2-O 3.25Å; F156-M202 WeakPolarHBondContact CD2-O 3.35Å; F156-M202 PolarHBondContact N-O 3.07Å; G175-M202 CarbonylContact O-C 3.56Å; G175-M202 WeakPolarHBondContact O-CA 3.31Å; F188-M202 HydrophobicContact CD1-CE 3.9Å; F188-M202 HydrophobicContact CD1-CG 4.14Å; F188-M202 HydrophobicContact CE1-CE 3.6Å; F188-M202 HydrophobicContact CE1-CG 3.86Å; F188-M202 HydrophobicContact CE1-SD 4.48Å; Y189-M202 HydrophobicContact CD1-CE 3.62Å; Y189-M202 HydrophobicContact CD1-CG 4.49Å; Y189-M202 HydrophobicContact CD1-SD 4.39Å; Y189-M202 HydrophobicContact CE1-CE 3.68Å; Y189-M202 HydrophobicContact CE1-CG 3.75Å; Y189-M202 HydrophobicContact CE1-SD 3.84Å; V192-M202 HydrophobicContact CG1-CE 4.45Å; V192-M202 HydrophobicContact CG2-CE 3.92Å
203	I	96.8	Very high	91	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.7	170.9	-173.7	163.5	0	0	0	109.9	F156 N158 V162 V174 G175 F176 F177 N207 A208	F156-I203 HydrophobicContact CB-CB 4.23Å; F156-I203 HydrophobicContact CB-CD1 4.13Å; F156-I203 HydrophobicContact CB-CG1 4.36Å; N158-I203 WeakPolarHBondContact O-CD1 3.22Å; V162-I203 HydrophobicContact CG2-CB 4.39Å; V162-I203 HydrophobicContact CG2-CD1 3.65Å; V162-I203 HydrophobicContact CG2-CG2 4.42Å; V174-I203 HydrophobicContact CG1-CG2 4.08Å; G175-I203 PolarHBondContact O-N 2.97Å; F176-I203 WeakPolarHBondContact CA-O 3.38Å; F176-I203 HydrophobicContact CB-CG2 4.43Å; F176-I203 HydrophobicContact CD1-CG2 3.34Å; F176-I203 HydrophobicContact CD2-CG2 4.22Å; F176-I203 HydrophobicContact CE1-CG2 3.47Å; F176-I203 VanDerWaalsContact CE1-CG2 3.47Å; F176-I203 HydrophobicContact CE2-CG2 4.32Å; F176-I203 HydrophobicContact CG-CG2 3.73Å; F176-I203 HydrophobicContact CZ-CG2 3.97Å; F177-I203 PolarHBondContact N-O 3.21Å; F177-I203 VanDerWaalsContact N-O 3.14Å; I203-N207 HydrophobicContact CD1-CB 4.23Å; I203-N207 HydrophobicContact CG1-CB 3.97Å; I203-A208 HydrophobicContact CD1-CB 4.08Å; I203-A208 HydrophobicContact CG1-CB 4.41Å
204	E	96.4	Very high	90.8	Very high	37 Å²	37	40.7 Å²	40.7	17%	0.173	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.6	170.3	-55.8	174.6	114.6	0	0	109.5	F177 L180 K206 N207 A208	F177-E204 CarbonylContact O-C 3.53Å; F177-E204 VanDerWaalsContact O-CA 3.28Å; F177-E204 WeakPolarHBondContact O-CA 3.41Å; L180-E204 HydrophobicContact CD1-CG 3.89Å; L180-E204 HydrophobicContact CD2-CG 4.07Å; L180-E204 HydrophobicContact CG-CG 3.79Å; E204-K206 HydrophobicContact CB-CD 4.4Å; E204-K206 HydrophobicContact CB-CG 4.02Å; E204-K206 PolarHBondContact O-N 3.05Å; E204-K206 VanDerWaalsContact O-N 3.14Å; E204-K206 VanDerWaalsContact OE1-CE 3.26Å; E204-K206 WeakPolarHBondContact OE1-CE 3.13Å; E204-K206 IonicContact OE1-NZ 3.73Å; E204-K206 PolarHBondContact OE1-NZ 3.4Å; E204-K206 WeakPolarHBondContact OE2-CE 3.26Å; E204-K206 IonicContact OE2-NZ 2.61Å; E204-K206 PolarHBondContact OE2-NZ 3Å; E204-N207 HydrophobicContact CB-CB 4.5Å; E204-N207 WeakPolarHBondContact O-CA 3.2Å; E204-N207 WeakPolarHBondContact O-CB 3.37Å; E204-N207 PolarHBondContact O-N 3.46Å; E204-N207 PolarHBondContact OE2-ND2 3.46Å; E204-A208 PolarHBondContact O-N 3.09Å
205	I	95.1	Very high	90.7	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.097	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.6	-176.1	-72.3	167.3	0	0	0	111.4	F176 F177 Q178 N207 A208 V214	F176-I205 HydrophobicContact CB-CG1 4.03Å; F177-I205 PolarHBondContact O-N 2.95Å; Q178-I205 HydrophobicContact CG-CD1 4.35Å; I205-N207 VanDerWaalsContact C-N 3.26Å; I205-N207 PolarHBondContact O-N 3.05Å; I205-A208 PolarHBondContact O-N 2.79Å; I205-A208 VanDerWaalsContact O-N 3.14Å; I205-V214 HydrophobicContact CD1-CG1 4.23Å; I205-V214 HydrophobicContact CG1-CG1 4.22Å
206	K	93.6	Very high	90.7	Very high	124 Å²	124	47.1 Å²	47.1	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.2	172.7	71.8	-155.9	178.3	-142	0	113.9	E204	E204-K206 HydrophobicContact CB-CD 4.4Å; E204-K206 HydrophobicContact CB-CG 4.02Å; E204-K206 PolarHBondContact O-N 3.05Å; E204-K206 VanDerWaalsContact O-N 3.14Å; E204-K206 VanDerWaalsContact OE1-CE 3.26Å; E204-K206 WeakPolarHBondContact OE1-CE 3.13Å; E204-K206 IonicContact OE1-NZ 3.73Å; E204-K206 PolarHBondContact OE1-NZ 3.4Å; E204-K206 WeakPolarHBondContact OE2-CE 3.26Å; E204-K206 IonicContact OE2-NZ 2.61Å; E204-K206 PolarHBondContact OE2-NZ 3Å
207	N	92.8	Very high	90.7	Very high	46 Å²	46	48 Å²	48	25%	0.246	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-19	177.5	-57.7	-13.2	0	0	0	111.9	N158 S159 I203 E204 I205 F209	N158-N207 WeakPolarHBondContact CA-O 3.49Å; S159-N207 PolarHBondContact N-O 3.5Å; I203-N207 HydrophobicContact CD1-CB 4.23Å; I203-N207 HydrophobicContact CG1-CB 3.97Å; E204-N207 HydrophobicContact CB-CB 4.5Å; E204-N207 WeakPolarHBondContact O-CA 3.2Å; E204-N207 WeakPolarHBondContact O-CB 3.37Å; E204-N207 PolarHBondContact O-N 3.46Å; E204-N207 PolarHBondContact OE2-ND2 3.46Å; I205-N207 VanDerWaalsContact C-N 3.26Å; I205-N207 PolarHBondContact O-N 3.05Å; N207-F209 PolarHBondContact O-N 3.29Å
208	A	87.6	Confident	90.8	Very high	5 Å²	5	47 Å²	47	4%	0.041	25%	0.25	C	C	.	.	S	Bend	trans	-78.9	7.4	179.4	0	0	0	0	0	114.4	F176 I203 E204 I205 G211	F176-A208 HydrophobicContact CD1-CB 3.91Å; F176-A208 HydrophobicContact CE1-CB 3.86Å; I203-A208 HydrophobicContact CD1-CB 4.08Å; I203-A208 HydrophobicContact CG1-CB 4.41Å; E204-A208 PolarHBondContact O-N 3.09Å; I205-A208 PolarHBondContact O-N 2.79Å; I205-A208 VanDerWaalsContact O-N 3.14Å; A208-G211 WeakPolarHBondContact O-CA 3.41Å; A208-G211 PolarHBondContact O-N 3.11Å
209	F	75.8	Confident	90.9	Very high	187 Å²	187	46.9 Å²	46.9	82%	0.82	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	139.7	-174	-168.6	-92.7	0	0	0	113.1	S159 N207 G211	S159-F209 PolarHBondContact OG-O 2.79Å; S159-F209 VanDerWaalsContact OG-O 3.09Å; N207-F209 PolarHBondContact O-N 3.29Å; F209-G211 PolarHBondContact O-N 3.44Å
210	G	72.1	Confident	91	Very high	75 Å²	75	46.2 Å²	46.2	77%	0.773	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	-17.4	-174.4	0	0	0	0	0	115.4
211	G	77	Confident	91	Very high	16 Å²	16	46 Å²	46	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	-101.8	150.8	179.9	0	0	0	0	0	113.6	A208 F209 H213	A208-G211 WeakPolarHBondContact O-CA 3.41Å; A208-G211 PolarHBondContact O-N 3.11Å; F209-G211 PolarHBondContact O-N 3.44Å; G211-H213 PolarHBondContact O-N 3.06Å
212	F	86.1	Confident	91	Very high	38 Å²	38	46.2 Å²	46.2	17%	0.167	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-10.4	163.4	-44.4	-70.6	0	0	0	119.4	S159 V162 A163 F176 V214 L220 F222 I227 R230	S159-F212 WeakPolarHBondContact O-CE2 3.33Å; V162-F212 HydrophobicContact CB-CE2 3.73Å; V162-F212 HydrophobicContact CB-CZ 3.85Å; V162-F212 HydrophobicContact CG1-CE1 4.41Å; V162-F212 HydrophobicContact CG1-CE2 3.69Å; V162-F212 HydrophobicContact CG1-CZ 3.59Å; V162-F212 HydrophobicContact CG2-CE2 4.4Å; A163-F212 HydrophobicContact CB-CZ 4.13Å; F176-F212 HydrophobicContact CE1-CB 4.3Å; F176-F212 AromaticContact CE1-CD2 3.87Å; F176-F212 HydrophobicContact CE1-CD2 3.87Å; F176-F212 HydrophobicContact CE1-CG 4.34Å; F176-F212 HydrophobicContact CZ-CB 4.25Å; F176-F212 AromaticContact CZ-CD2 3.85Å; F176-F212 HydrophobicContact CZ-CD2 3.85Å; F176-F212 HydrophobicContact CZ-CG 4.08Å; F212-V214 HydrophobicContact CB-CG2 4.19Å; F212-L220 HydrophobicContact CB-CD1 4.09Å; F212-F222 AromaticContact CD1-CE1 3.85Å; F212-F222 HydrophobicContact CD1-CE1 3.85Å; F212-F222 AromaticContact CD1-CZ 3.8Å; F212-F222 HydrophobicContact CD1-CZ 3.8Å; F212-F222 AromaticContact CE1-CE1 3.67Å; F212-F222 HydrophobicContact CE1-CE1 3.67Å; F212-F222 AromaticContact CE1-CZ 3.83Å; F212-F222 HydrophobicContact CE1-CZ 3.83Å; F212-F222 HydrophobicContact CG-CZ 4.47Å; F212-I227 HydrophobicContact CD1-CD1 4.3Å; F212-R230 PolarHBondContact O-NH2 2.73Å
213	H	88.1	Confident	90.8	Very high	163 Å²	163	48 Å²	48	76%	0.755	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	60.9	-177.2	-52.5	85.6	0	0	0	112.1	G211 R230	G211-H213 PolarHBondContact O-N 3.06Å; H213-R230 PolarHBondContact O-NH1 3.47Å; H213-R230 PolarHBondContact O-NH2 2.66Å; H213-R230 VanDerWaalsContact O-NH2 3.17Å
214	V	90.9	Very high	90.5	Very high	15 Å²	15	56.4 Å²	56.4	9%	0.091	29%	0.289	C	S	.	.			trans	-111.3	136.1	173.3	-174.6	0	0	0	0	108.6	F176 I205 F212 L216 L220	F176-V214 HydrophobicContact CB-CB 4.48Å; F176-V214 HydrophobicContact CB-CG1 3.77Å; F176-V214 HydrophobicContact CD1-CB 4Å; F176-V214 HydrophobicContact CD1-CG1 4.22Å; F176-V214 HydrophobicContact CD1-CG2 3.85Å; F176-V214 HydrophobicContact CD2-CG2 4.46Å; F176-V214 HydrophobicContact CE1-CG2 4.06Å; F176-V214 HydrophobicContact CG-CB 4.34Å; F176-V214 HydrophobicContact CG-CG1 4.11Å; F176-V214 HydrophobicContact CG-CG2 4.08Å; F176-V214 HydrophobicContact CZ-CG2 4.47Å; I205-V214 HydrophobicContact CD1-CG1 4.23Å; I205-V214 HydrophobicContact CG1-CG1 4.22Å; F212-V214 HydrophobicContact CB-CG2 4.19Å; V214-L216 VanDerWaalsContact CG1-O 3.26Å; V214-L216 WeakPolarHBondContact CG1-O 3.35Å; V214-L220 HydrophobicContact CG2-CD1 3.9Å; V214-L220 HydrophobicContact CG2-CG 4.46Å
215	I	90.6	Very high	90.2	Very high	137 Å²	137	56.1 Å²	56.1	70%	0.703	30%	0.296	S	S	*	.			trans	-131.8	-25.3	-176	-52.4	176.8	0	0	0	111.1	Q178	Q178-I215 PolarHBondContact NE2-O 3.47Å
216	L	93	Very high	90.1	Very high	75 Å²	75	64.7 Å²	64.7	39%	0.393	33%	0.327	S	S	.	.	S	Bend	trans	-124.6	156.9	-180	-57.2	177.2	0	0	0	109.4	V214 S218 I234	V214-L216 VanDerWaalsContact CG1-O 3.26Å; V214-L216 WeakPolarHBondContact CG1-O 3.35Å; L216-S218 WeakPolarHBondContact O-CB 3.18Å; L216-S218 PolarHBondContact O-N 2.95Å; L216-S218 PolarHBondContact O-OG 3.37Å; L216-I234 HydrophobicContact CB-CG1 4.49Å; L216-I234 HydrophobicContact CD1-CD1 3.62Å; L216-I234 HydrophobicContact CD1-CG1 4.14Å
217	D	95.8	Very high	90.1	Very high	22 Å²	22	62.2 Å²	62.2	12%	0.118	32%	0.319	C	S	.	.	S	Bend	trans	-52.5	122.2	-179.1	-55.1	-84	0	0	0	110.8	F176 F177 Q178 V184 E232 L233	F176-D217 WeakPolarHBondContact O-CA 3.49Å; F177-D217 WeakPolarHBondContact CA-OD1 3.4Å; F177-D217 HydrophobicContact CD1-CB 4.36Å; Q178-D217 WeakPolarHBondContact CG-OD2 3.46Å; Q178-D217 PolarHBondContact N-OD1 3.18Å; V184-D217 HydrophobicContact CG1-CB 4.34Å; D217-E232 CarbonylContact O-C 3.59Å; D217-E232 WeakPolarHBondContact O-CA 3.41Å; D217-L233 PolarHBondContact O-N 2.95Å
218	S	95.5	Very high	90.2	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	147.8	-162.2	-70.6	0	0	0	0	112.7	F176 L216 Q231	F176-S218 PolarHBondContact N-O 3.34Å; F176-S218 PolarHBondContact O-N 3.46Å; L216-S218 WeakPolarHBondContact O-CB 3.18Å; L216-S218 PolarHBondContact O-N 2.95Å; L216-S218 PolarHBondContact O-OG 3.37Å; S218-Q231 CarbonylContact C-O 3.56Å; S218-Q231 VanDerWaalsContact CA-O 3.22Å; S218-Q231 WeakPolarHBondContact CA-O 3.39Å
219	V	97	Very high	90.5	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.2	162.2	165.4	0	0	0	0	110.4	I173 V174 F188 Q231 L233 L243 V246	I173-V219 HydrophobicContact CG2-CG1 3.4Å; V174-V219 WeakPolarHBondContact O-CA 3.34Å; F188-V219 HydrophobicContact CD2-CG2 3.7Å; F188-V219 HydrophobicContact CE2-CG2 3.45Å; F188-V219 VanDerWaalsContact CE2-CG2 3.45Å; F188-V219 HydrophobicContact CZ-CG2 4.42Å; V219-Q231 PolarHBondContact N-O 2.81Å; V219-Q231 PolarHBondContact O-N 3.2Å; V219-L233 HydrophobicContact CG2-CD1 3.98Å; V219-L243 HydrophobicContact CB-CD2 4.34Å; V219-L243 HydrophobicContact CG2-CD2 3.58Å; V219-V246 HydrophobicContact CG1-CG1 4.07Å
220	L	96.8	Very high	91.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129	172	-57.3	-170.2	0	0	0	110.1	V174 F176 F212 V214 F222 I227 K229 R230	V174-L220 PolarHBondContact N-O 3.34Å; V174-L220 PolarHBondContact O-N 3.4Å; F176-L220 HydrophobicContact CD2-CD1 4.2Å; F176-L220 HydrophobicContact CD2-CG 3.97Å; F176-L220 HydrophobicContact CE2-CB 3.99Å; F176-L220 HydrophobicContact CE2-CD1 3.54Å; F176-L220 HydrophobicContact CE2-CG 3.66Å; F176-L220 HydrophobicContact CZ-CD1 3.83Å; F176-L220 HydrophobicContact CZ-CG 4.45Å; F212-L220 HydrophobicContact CB-CD1 4.09Å; V214-L220 HydrophobicContact CG2-CD1 3.9Å; V214-L220 HydrophobicContact CG2-CG 4.46Å; L220-F222 HydrophobicContact CB-CD2 4.28Å; L220-F222 HydrophobicContact CB-CE2 3.64Å; L220-F222 HydrophobicContact CB-CZ 4.15Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 HydrophobicContact CD1-CZ 4.03Å; L220-I227 HydrophobicContact CD1-CD1 3.94Å; L220-I227 HydrophobicContact CD1-CG1 4.35Å; L220-K229 WeakPolarHBondContact CA-O 3.44Å; L220-R230 HydrophobicContact CD2-CB 3.7Å; L220-R230 HydrophobicContact CD2-CG 3.66Å
221	V	96.9	Very high	92.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.9	168.9	-174	0	0	0	0	108.8	I173 I227 V228 K229 V246 Q250	I173-V221 HydrophobicContact CG1-CG1 4.34Å; I173-V221 HydrophobicContact CG1-CG2 4.24Å; V221-I227 WeakPolarHBondContact O-CA 3.49Å; V221-V228 HydrophobicContact CB-CG2 4.15Å; V221-V228 HydrophobicContact CG1-CG2 3.93Å; V221-V228 WeakPolarHBondContact O-CG2 3.43Å; V221-V228 PolarHBondContact O-N 3.18Å; V221-K229 HydrophobicContact CB-CB 4.1Å; V221-K229 HydrophobicContact CG2-CB 4.1Å; V221-K229 HydrophobicContact CG2-CG 4.42Å; V221-K229 PolarHBondContact N-O 3.34Å; V221-V246 HydrophobicContact CG2-CG1 3.43Å; V221-V246 VanDerWaalsContact CG2-CG1 3.43Å; V221-Q250 HydrophobicContact CG1-CG 4.23Å
222	F	95.9	Very high	93.3	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.3	172	-61.2	-99.7	0	0	0	109.2	V162 V166 L171 V172 V174 F176 F212 L220 R226 I227	V162-F222 HydrophobicContact CG1-CZ 4.39Å; V166-F222 HydrophobicContact CB-CB 3.97Å; V166-F222 HydrophobicContact CB-CD1 3.98Å; V166-F222 HydrophobicContact CB-CG 3.94Å; V166-F222 HydrophobicContact CG1-CB 3.97Å; V166-F222 HydrophobicContact CG1-CD1 3.96Å; V166-F222 HydrophobicContact CG1-CD2 3.77Å; V166-F222 HydrophobicContact CG1-CE1 4.37Å; V166-F222 HydrophobicContact CG1-CE2 4.19Å; V166-F222 HydrophobicContact CG1-CG 3.64Å; V166-F222 HydrophobicContact CG1-CZ 4.47Å; V166-F222 HydrophobicContact CG2-CD1 3.82Å; V166-F222 HydrophobicContact CG2-CE1 4.16Å; V166-F222 HydrophobicContact CG2-CG 4.31Å; L171-F222 CarbonylContact C-O 3.57Å; L171-F222 VanDerWaalsContact CA-O 3.3Å; L171-F222 WeakPolarHBondContact CA-O 3.5Å; V172-F222 PolarHBondContact N-O 3.13Å; V172-F222 PolarHBondContact O-N 2.85Å; V174-F222 HydrophobicContact CB-CE2 4.04Å; V174-F222 HydrophobicContact CG2-CD2 4.02Å; V174-F222 HydrophobicContact CG2-CE2 3.82Å; F176-F222 HydrophobicContact CE2-CE2 4.47Å; F212-F222 AromaticContact CD1-CE1 3.85Å; F212-F222 HydrophobicContact CD1-CE1 3.85Å; F212-F222 AromaticContact CD1-CZ 3.8Å; F212-F222 HydrophobicContact CD1-CZ 3.8Å; F212-F222 AromaticContact CE1-CE1 3.67Å; F212-F222 HydrophobicContact CE1-CE1 3.67Å; F212-F222 AromaticContact CE1-CZ 3.83Å; F212-F222 HydrophobicContact CE1-CZ 3.83Å; F212-F222 HydrophobicContact CG-CZ 4.47Å; L220-F222 HydrophobicContact CB-CD2 4.28Å; L220-F222 HydrophobicContact CB-CE2 3.64Å; L220-F222 HydrophobicContact CB-CZ 4.15Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 HydrophobicContact CD1-CZ 4.03Å; F222-R226 CarbonylContact C-O 3.47Å; F222-R226 VanDerWaalsContact CA-O 3.26Å; F222-R226 WeakPolarHBondContact CA-O 3.4Å; F222-I227 HydrophobicContact CD1-CG1 3.81Å; F222-I227 HydrophobicContact CE1-CD1 4.2Å; F222-I227 HydrophobicContact CE1-CG1 3.43Å; F222-I227 VanDerWaalsContact CE1-CG1 3.43Å; F222-I227 HydrophobicContact CZ-CD1 4.49Å; F222-I227 HydrophobicContact CZ-CG1 3.94Å
223	K	93	Very high	93.6	Very high	44 Å²	44	61.3 Å²	61.3	19%	0.191	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.7	162.8	-69	-164.6	-171.7	-157.9	0	108.7	P170 L171 G225 R226 V228 E253 Q301	P170-K223 CarbonylContact O-C 3.54Å; P170-K223 WeakPolarHBondContact O-CA 3.46Å; L171-K223 HydrophobicContact CB-CG 4.48Å; L171-K223 HydrophobicContact CD1-CD 4.21Å; L171-K223 HydrophobicContact CD1-CG 4.18Å; L171-K223 HydrophobicContact CG-CG 4.09Å; K223-G225 PolarHBondContact O-N 2.93Å; K223-R226 PolarHBondContact N-O 3.01Å; K223-R226 PolarHBondContact O-N 3.13Å; K223-V228 HydrophobicContact CB-CG1 4.05Å; K223-V228 HydrophobicContact CB-CG2 4.23Å; K223-V228 HydrophobicContact CD-CG2 4.38Å; K223-V228 HydrophobicContact CG-CG2 3.88Å; K223-E253 IonicContact NZ-OE2 3.75Å; K223-E253 PolarHBondContact NZ-OE2 3.29Å; K223-Q301 VanDerWaalsContact NZ-NE2 3.13Å; K223-Q301 VanDerWaalsContact NZ-OE1 3.08Å
224	K	90.2	Very high	93.6	Very high	175 Å²	175	58.9 Å²	58.9	76%	0.761	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	52.8	-178.2	-55	-178.8	-178	-178.8	0	112.7	P170 R226	P170-K224 PolarHBondContact O-N 3.43Å; K224-R226 PolarHBondContact O-N 3.35Å
225	G	90.1	Very high	93.5	Very high	32 Å²	32	61.8 Å²	61.8	33%	0.33	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-1.6	-178.7	0	0	0	0	0	116.8	V166 K223	V166-G225 WeakPolarHBondContact O-CA 3.2Å; V166-G225 PolarHBondContact O-N 3.4Å; K223-G225 PolarHBondContact O-N 2.93Å
226	R	92.8	Very high	93.3	Very high	198 Å²	198	60.5 Å²	60.5	75%	0.747	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.8	-178.6	-60.4	-178.1	-177	-175.3	-0.1	111.3	F222 K223 K224 V228	F222-R226 CarbonylContact C-O 3.47Å; F222-R226 VanDerWaalsContact CA-O 3.26Å; F222-R226 WeakPolarHBondContact CA-O 3.4Å; K223-R226 PolarHBondContact N-O 3.01Å; K223-R226 PolarHBondContact O-N 3.13Å; K224-R226 PolarHBondContact O-N 3.35Å; R226-V228 PolarHBondContact O-N 2.85Å
227	I	94.7	Very high	93	Very high	72 Å²	72	61.4 Å²	61.4	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	122.5	169.4	-57.7	164.2	0	0	0	108.2	F212 L220 V221 F222	F212-I227 HydrophobicContact CD1-CD1 4.3Å; L220-I227 HydrophobicContact CD1-CD1 3.94Å; L220-I227 HydrophobicContact CD1-CG1 4.35Å; V221-I227 WeakPolarHBondContact O-CA 3.49Å; F222-I227 HydrophobicContact CD1-CG1 3.81Å; F222-I227 HydrophobicContact CE1-CD1 4.2Å; F222-I227 HydrophobicContact CE1-CG1 3.43Å; F222-I227 VanDerWaalsContact CE1-CG1 3.43Å; F222-I227 HydrophobicContact CZ-CD1 4.49Å; F222-I227 HydrophobicContact CZ-CG1 3.94Å
228	V	94.1	Very high	92.8	Very high	87 Å²	87	62.3 Å²	62.3	53%	0.527	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-19.7	175.7	-64.5	0	0	0	0	113.2	V221 K223 R226	V221-V228 HydrophobicContact CB-CG2 4.15Å; V221-V228 HydrophobicContact CG1-CG2 3.93Å; V221-V228 WeakPolarHBondContact O-CG2 3.43Å; V221-V228 PolarHBondContact O-N 3.18Å; K223-V228 HydrophobicContact CB-CG1 4.05Å; K223-V228 HydrophobicContact CB-CG2 4.23Å; K223-V228 HydrophobicContact CD-CG2 4.38Å; K223-V228 HydrophobicContact CG-CG2 3.88Å; R226-V228 PolarHBondContact O-N 2.85Å
229	K	94.2	Very high	92.6	Very high	60 Å²	60	62.3 Å²	62.3	26%	0.261	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.4	174.2	173.1	64.4	176.4	146.3	0	109.1	L220 V221 V246	L220-K229 WeakPolarHBondContact CA-O 3.44Å; V221-K229 HydrophobicContact CB-CB 4.1Å; V221-K229 HydrophobicContact CG2-CB 4.1Å; V221-K229 HydrophobicContact CG2-CG 4.42Å; V221-K229 PolarHBondContact N-O 3.34Å; K229-V246 HydrophobicContact CG-CG1 4.3Å; K229-V246 HydrophobicContact CG-CG2 4.21Å
230	R	95	Very high	92.3	Very high	82 Å²	82	68.2 Å²	68.2	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.9	161.9	174.4	176.1	-62.5	-124.2	-0.4	108.2	F212 H213 L220	F212-R230 PolarHBondContact O-NH2 2.73Å; H213-R230 PolarHBondContact O-NH1 3.47Å; H213-R230 PolarHBondContact O-NH2 2.66Å; H213-R230 VanDerWaalsContact O-NH2 3.17Å; L220-R230 HydrophobicContact CD2-CB 3.7Å; L220-R230 HydrophobicContact CD2-CG 3.66Å
231	Q	95.7	Very high	91.9	Very high	30 Å²	30	73.5 Å²	73.5	14%	0.14	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	120.7	170.3	-176.2	57.1	52.6	0	0	108.7	S218 V219 L233 F242 V246	S218-Q231 CarbonylContact C-O 3.56Å; S218-Q231 VanDerWaalsContact CA-O 3.22Å; S218-Q231 WeakPolarHBondContact CA-O 3.39Å; V219-Q231 PolarHBondContact N-O 2.81Å; V219-Q231 PolarHBondContact O-N 3.2Å; Q231-L233 HydrophobicContact CG-CD2 4.22Å; Q231-F242 HydrophobicContact CG-CB 3.89Å; Q231-V246 HydrophobicContact CB-CG2 3.68Å; Q231-V246 HydrophobicContact CG-CG2 3.88Å
232	E	94	Very high	91.7	Very high	85 Å²	85	77 Å²	77	40%	0.397	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	149.9	172.7	-71	157.9	-165.4	0	0	109.3	D217 I234	D217-E232 CarbonylContact O-C 3.59Å; D217-E232 WeakPolarHBondContact O-CA 3.41Å; E232-I234 HydrophobicContact CB-CD1 3.91Å; E232-I234 HydrophobicContact CB-CG1 4.07Å
233	L	91.9	Very high	91.5	Very high	5 Å²	5	77 Å²	77	3%	0.026	38%	0.382	C	S	.	.			trans	-128	54.6	-168.1	-60.5	175.1	0	0	0	111.1	F177 V184 D217 V219 Q231 N239 F242 L243	F177-L233 HydrophobicContact CE1-CD1 4.26Å; V184-L233 HydrophobicContact CG2-CB 3.76Å; V184-L233 HydrophobicContact CG2-CD1 4.07Å; D217-L233 PolarHBondContact O-N 2.95Å; V219-L233 HydrophobicContact CG2-CD1 3.98Å; Q231-L233 HydrophobicContact CG-CD2 4.22Å; L233-N239 WeakPolarHBondContact CA-OD1 3.29Å; L233-N239 HydrophobicContact CD2-CB 4.46Å; L233-N239 PolarHBondContact O-ND2 2.87Å; L233-N239 PolarHBondContact O-OD1 2.98Å; L233-F242 HydrophobicContact CD2-CB 4.26Å; L233-L243 HydrophobicContact CD1-CD1 4.45Å; L233-L243 HydrophobicContact CD1-CD2 3.71Å; L233-L243 HydrophobicContact CD1-CG 4.1Å; L233-L243 HydrophobicContact CD2-CD2 4.18Å; L233-L243 HydrophobicContact CD2-CG 3.95Å
234	I	88.4	Confident	91.2	Very high	112 Å²	112	76.7 Å²	76.7	57%	0.574	38%	0.382	S	S	*	.			trans	-93.7	1.5	-168.5	-41.7	158.3	0	0	0	112.3	L216 E232 N239	L216-I234 HydrophobicContact CB-CG1 4.49Å; L216-I234 HydrophobicContact CD1-CD1 3.62Å; L216-I234 HydrophobicContact CD1-CG1 4.14Å; E232-I234 HydrophobicContact CB-CD1 3.91Å; E232-I234 HydrophobicContact CB-CG1 4.07Å; I234-N239 PolarHBondContact N-OD1 2.95Å
235	N	88.6	Confident	91.2	Very high	75 Å²	75	73.2 Å²	73.2	40%	0.401	37%	0.369	S	S	.	.			trans	-145.8	107.1	-175.6	170.9	24.7	0	0	0	112.1	S237 T238 N239	N235-S237 VanDerWaalsContact C-N 3.25Å; N235-S237 VanDerWaalsContact CG-OG 3.27Å; N235-S237 PolarHBondContact ND2-OG 3.28Å; N235-S237 PolarHBondContact O-N 2.67Å; N235-S237 VanDerWaalsContact O-N 3.15Å; N235-S237 PolarHBondContact OD1-N 3.12Å; N235-S237 PolarHBondContact OD1-OG 3.06Å; N235-T238 WeakPolarHBondContact CB-OG1 3.38Å; N235-T238 PolarHBondContact ND2-OG1 2.6Å; N235-T238 VanDerWaalsContact ND2-OG1 3.1Å; N235-T238 CarbonylContact O-C 3.52Å; N235-T238 WeakPolarHBondContact O-CA 3.15Å; N235-T238 PolarHBondContact O-N 2.83Å; N235-T238 PolarHBondContact O-OG1 2.66Å; N235-N239 PolarHBondContact N-OD1 3.03Å; N235-N239 VanDerWaalsContact N-OD1 3.15Å; N235-N239 PolarHBondContact O-N 2.56Å; N235-N239 PolarHBondContact O-OD1 3.1Å
236	D	85.9	Confident	91.3	Very high	110 Å²	110	71.7 Å²	71.7	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-55.2	-37.8	-171.9	-45.6	-52.4	0	0	0	113	T238 N239	D236-T238 PolarHBondContact O-N 2.82Å; D236-N239 PolarHBondContact N-ND2 3.37Å; D236-N239 PolarHBondContact O-N 3.21Å; D236-N239 PolarHBondContact OD1-ND2 2.76Å
237	S	87.1	Confident	91.3	Very high	95 Å²	95	62.3 Å²	62.3	66%	0.664	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-11.8	175.3	70.8	0	0	0	0	114.8	N235	N235-S237 VanDerWaalsContact C-N 3.25Å; N235-S237 VanDerWaalsContact CG-OG 3.27Å; N235-S237 PolarHBondContact ND2-OG 3.28Å; N235-S237 PolarHBondContact O-N 2.67Å; N235-S237 VanDerWaalsContact O-N 3.15Å; N235-S237 PolarHBondContact OD1-N 3.12Å; N235-S237 PolarHBondContact OD1-OG 3.06Å
238	T	90.4	Very high	91	Very high	40 Å²	40	60.5 Å²	60.5	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-130.6	-18	-178.4	55.3	0	0	0	0	114.1	N235 D236 K240 D241 F242	N235-T238 WeakPolarHBondContact CB-OG1 3.38Å; N235-T238 PolarHBondContact ND2-OG1 2.6Å; N235-T238 VanDerWaalsContact ND2-OG1 3.1Å; N235-T238 CarbonylContact O-C 3.52Å; N235-T238 WeakPolarHBondContact O-CA 3.15Å; N235-T238 PolarHBondContact O-N 2.83Å; N235-T238 PolarHBondContact O-OG1 2.66Å; D236-T238 PolarHBondContact O-N 2.82Å; T238-K240 VanDerWaalsContact C-N 3.26Å; T238-K240 PolarHBondContact O-N 2.85Å; T238-D241 PolarHBondContact O-N 3.02Å; T238-F242 HydrophobicContact CG2-CE2 4.42Å; T238-F242 WeakPolarHBondContact O-CD2 3.49Å; T238-F242 PolarHBondContact O-N 2.88Å; T238-F242 WeakPolarHBondContact OG1-CE2 3.17Å
239	N	91.3	Very high	90.8	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-54.4	-41.3	-176.6	-77	-10	0	0	0	112.1	L187 L233 I234 N235 D236 D241 L243	L187-N239 HydrophobicContact CD2-CB 4Å; L233-N239 WeakPolarHBondContact CA-OD1 3.29Å; L233-N239 HydrophobicContact CD2-CB 4.46Å; L233-N239 PolarHBondContact O-ND2 2.87Å; L233-N239 PolarHBondContact O-OD1 2.98Å; I234-N239 PolarHBondContact N-OD1 2.95Å; N235-N239 PolarHBondContact N-OD1 3.03Å; N235-N239 VanDerWaalsContact N-OD1 3.15Å; N235-N239 PolarHBondContact O-N 2.56Å; N235-N239 PolarHBondContact O-OD1 3.1Å; D236-N239 PolarHBondContact N-ND2 3.37Å; D236-N239 PolarHBondContact O-N 3.21Å; D236-N239 PolarHBondContact OD1-ND2 2.76Å; N239-D241 PolarHBondContact O-N 2.96Å; N239-L243 WeakPolarHBondContact O-CB 3.38Å; N239-L243 VanDerWaalsContact O-CG 3.27Å; N239-L243 WeakPolarHBondContact O-CG 3.49Å; N239-L243 PolarHBondContact O-N 3.31Å
240	K	90.4	Very high	90.6	Very high	126 Å²	126	57.5 Å²	57.5	55%	0.548	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-41	178	-174.9	165.6	-174.8	168.2	0	112.9	L187 T238 N244	L187-K240 HydrophobicContact CD1-CB 4.08Å; L187-K240 HydrophobicContact CD1-CD 4.07Å; L187-K240 HydrophobicContact CD1-CG 4.01Å; L187-K240 HydrophobicContact CD2-CB 4.06Å; T238-K240 VanDerWaalsContact C-N 3.26Å; T238-K240 PolarHBondContact O-N 2.85Å; K240-N244 WeakPolarHBondContact O-CB 3.17Å; K240-N244 PolarHBondContact O-N 3.38Å; K240-N244 PolarHBondContact O-ND2 3.26Å
241	D	89.9	Confident	90.5	Very high	110 Å²	110	53.8 Å²	53.8	59%	0.588	28%	0.275	S	S	*	.	H	α-helix	trans	-77.1	-38.3	-177.7	-68.2	-22.5	0	0	0	111.3	T238 N239 N244 Q245	T238-D241 PolarHBondContact O-N 3.02Å; N239-D241 PolarHBondContact O-N 2.96Å; D241-N244 PolarHBondContact O-N 3.15Å; D241-Q245 VanDerWaalsContact O-CB 3.3Å; D241-Q245 WeakPolarHBondContact O-CB 3.49Å; D241-Q245 PolarHBondContact O-N 3.01Å
242	F	92.1	Very high	90.3	Very high	74 Å²	74	52.5 Å²	52.5	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-43.7	172.8	-67.7	-38.9	0	0	0	112.5	Q231 L233 T238 Q245 V246	Q231-F242 HydrophobicContact CG-CB 3.89Å; L233-F242 HydrophobicContact CD2-CB 4.26Å; T238-F242 HydrophobicContact CG2-CE2 4.42Å; T238-F242 WeakPolarHBondContact O-CD2 3.49Å; T238-F242 PolarHBondContact O-N 2.88Å; T238-F242 WeakPolarHBondContact OG1-CE2 3.17Å; F242-Q245 PolarHBondContact O-N 3.03Å; F242-V246 WeakPolarHBondContact O-CB 3.35Å; F242-V246 VanDerWaalsContact O-CG2 3.28Å; F242-V246 WeakPolarHBondContact O-CG2 3.35Å; F242-V246 PolarHBondContact O-N 2.83Å
243	L	91.6	Very high	90.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-52.4	172.8	-78.7	174.4	0	0	0	111.3	L187 F188 V219 L233 N239 Q245 V246 V247	L187-L243 HydrophobicContact CD2-CD1 3.88Å; L187-L243 HydrophobicContact CG-CD1 3.8Å; F188-L243 HydrophobicContact CD2-CD2 3.83Å; F188-L243 HydrophobicContact CE2-CD2 4.47Å; V219-L243 HydrophobicContact CB-CD2 4.34Å; V219-L243 HydrophobicContact CG2-CD2 3.58Å; L233-L243 HydrophobicContact CD1-CD1 4.45Å; L233-L243 HydrophobicContact CD1-CD2 3.71Å; L233-L243 HydrophobicContact CD1-CG 4.1Å; L233-L243 HydrophobicContact CD2-CD2 4.18Å; L233-L243 HydrophobicContact CD2-CG 3.95Å; N239-L243 WeakPolarHBondContact O-CB 3.38Å; N239-L243 VanDerWaalsContact O-CG 3.27Å; N239-L243 WeakPolarHBondContact O-CG 3.49Å; N239-L243 PolarHBondContact O-N 3.31Å; L243-Q245 VanDerWaalsContact C-N 3.32Å; L243-Q245 PolarHBondContact O-N 2.97Å; L243-V246 PolarHBondContact O-N 3.25Å; L243-V247 WeakPolarHBondContact O-CB 3.17Å; L243-V247 VanDerWaalsContact O-CG2 3.24Å; L243-V247 WeakPolarHBondContact O-CG2 3.37Å; L243-V247 PolarHBondContact O-N 2.93Å; L243-V247 VanDerWaalsContact O-N 3.1Å
244	N	87.9	Confident	90.2	Very high	38 Å²	38	52.8 Å²	52.8	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-45.3	177	-89	-71.1	0	0	0	112.1	K240 D241 V247 K248	K240-N244 WeakPolarHBondContact O-CB 3.17Å; K240-N244 PolarHBondContact O-N 3.38Å; K240-N244 PolarHBondContact O-ND2 3.26Å; D241-N244 PolarHBondContact O-N 3.15Å; N244-V247 PolarHBondContact O-N 2.96Å; N244-K248 HydrophobicContact CB-CD 4.45Å; N244-K248 VanDerWaalsContact O-CB 3.23Å; N244-K248 WeakPolarHBondContact O-CB 3.31Å; N244-K248 WeakPolarHBondContact O-CD 3.41Å; N244-K248 WeakPolarHBondContact O-CG 3.35Å; N244-K248 PolarHBondContact O-N 2.69Å; N244-K248 VanDerWaalsContact OD1-CE 3.27Å; N244-K248 WeakPolarHBondContact OD1-CE 3.26Å; N244-K248 PolarHBondContact OD1-NZ 3.25Å
245	Q	89.5	Confident	90.7	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-64.6	-46.1	-178.9	-170.2	-175.4	50.7	0	0	112.1	D241 F242 L243 V247 Q249	D241-Q245 VanDerWaalsContact O-CB 3.3Å; D241-Q245 WeakPolarHBondContact O-CB 3.49Å; D241-Q245 PolarHBondContact O-N 3.01Å; F242-Q245 PolarHBondContact O-N 3.03Å; L243-Q245 VanDerWaalsContact C-N 3.32Å; L243-Q245 PolarHBondContact O-N 2.97Å; Q245-V247 VanDerWaalsContact C-N 3.3Å; Q245-V247 PolarHBondContact O-N 3.13Å; Q245-Q249 WeakPolarHBondContact O-CB 3.31Å; Q245-Q249 VanDerWaalsContact O-CG 3.24Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.35Å
246	V	92.3	Very high	91	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-40.9	179.2	168.6	0	0	0	0	111.7	V219 V221 K229 Q231 F242 L243 Q250	V219-V246 HydrophobicContact CG1-CG1 4.07Å; V221-V246 HydrophobicContact CG2-CG1 3.43Å; V221-V246 VanDerWaalsContact CG2-CG1 3.43Å; K229-V246 HydrophobicContact CG-CG1 4.3Å; K229-V246 HydrophobicContact CG-CG2 4.21Å; Q231-V246 HydrophobicContact CB-CG2 3.68Å; Q231-V246 HydrophobicContact CG-CG2 3.88Å; F242-V246 WeakPolarHBondContact O-CB 3.35Å; F242-V246 VanDerWaalsContact O-CG2 3.28Å; F242-V246 WeakPolarHBondContact O-CG2 3.35Å; F242-V246 PolarHBondContact O-N 2.83Å; L243-V246 PolarHBondContact O-N 3.25Å; V246-Q250 PolarHBondContact O-NE2 3.3Å
247	V	92	Very high	91.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-74.4	-47.7	-178.9	174.2	0	0	0	0	111	I173 M191 F195 L198 F200 L243 N244 Q245 Q249 Q250	I173-V247 HydrophobicContact CD1-CG2 4.07Å; M191-V247 HydrophobicContact CE-CG2 4.06Å; M191-V247 HydrophobicContact SD-CB 4.47Å; M191-V247 HydrophobicContact SD-CG1 4.25Å; M191-V247 HydrophobicContact SD-CG2 3.68Å; F195-V247 HydrophobicContact CB-CG1 4.43Å; F195-V247 HydrophobicContact CD1-CG1 4.11Å; F195-V247 HydrophobicContact CD2-CG1 3.58Å; F195-V247 HydrophobicContact CE1-CG1 4.29Å; F195-V247 HydrophobicContact CE2-CG1 3.79Å; F195-V247 HydrophobicContact CG-CG1 3.75Å; F195-V247 HydrophobicContact CZ-CG1 4.14Å; L198-V247 HydrophobicContact CD1-CG1 3.69Å; F200-V247 HydrophobicContact CE1-CG2 4.29Å; F200-V247 HydrophobicContact CZ-CG1 4.37Å; L243-V247 WeakPolarHBondContact O-CB 3.17Å; L243-V247 VanDerWaalsContact O-CG2 3.24Å; L243-V247 WeakPolarHBondContact O-CG2 3.37Å; L243-V247 PolarHBondContact O-N 2.93Å; L243-V247 VanDerWaalsContact O-N 3.1Å; N244-V247 PolarHBondContact O-N 2.96Å; Q245-V247 VanDerWaalsContact C-N 3.3Å; Q245-V247 PolarHBondContact O-N 3.13Å; V247-Q249 VanDerWaalsContact C-N 3.27Å; V247-Q249 PolarHBondContact O-N 2.88Å; V247-Q250 WeakPolarHBondContact O-CB 2.96Å; V247-Q250 PolarHBondContact O-N 3.33Å
248	K	89.2	Confident	92	Very high	34 Å²	34	38 Å²	38	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-35.5	178.6	-71.2	170.5	-166.1	-177	0	112.2	N244 Q250 L251 L265 E268 L269	N244-K248 HydrophobicContact CB-CD 4.45Å; N244-K248 VanDerWaalsContact O-CB 3.23Å; N244-K248 WeakPolarHBondContact O-CB 3.31Å; N244-K248 WeakPolarHBondContact O-CD 3.41Å; N244-K248 WeakPolarHBondContact O-CG 3.35Å; N244-K248 PolarHBondContact O-N 2.69Å; N244-K248 VanDerWaalsContact OD1-CE 3.27Å; N244-K248 WeakPolarHBondContact OD1-CE 3.26Å; N244-K248 PolarHBondContact OD1-NZ 3.25Å; K248-Q250 PolarHBondContact O-N 2.98Å; K248-Q250 VanDerWaalsContact O-N 3.1Å; K248-L251 HydrophobicContact CG-CD1 4.44Å; K248-L251 PolarHBondContact O-N 2.69Å; K248-L265 HydrophobicContact CD-CD1 4.35Å; K248-L265 HydrophobicContact CG-CD1 4.02Å; K248-E268 HydrophobicContact CD-CB 4.33Å; K248-E268 WeakPolarHBondContact CE-OE2 3.13Å; K248-E268 IonicContact NZ-OE2 2.73Å; K248-E268 PolarHBondContact NZ-OE2 3.37Å; K248-L269 HydrophobicContact CB-CD2 3.91Å; K248-L269 WeakPolarHBondContact O-CD2 3.3Å
249	Q	88.6	Confident	92.1	Very high	75 Å²	75	36.7 Å²	36.7	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-18.2	171.9	-77.6	173.2	6	0	0	114.7	Q245 V247 T252	Q245-Q249 WeakPolarHBondContact O-CB 3.31Å; Q245-Q249 VanDerWaalsContact O-CG 3.24Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.35Å; V247-Q249 VanDerWaalsContact C-N 3.27Å; V247-Q249 PolarHBondContact O-N 2.88Å; Q249-T252 PolarHBondContact O-OG1 3.33Å
250	Q	91.1	Very high	92	Very high	10 Å²	10	39 Å²	39	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-90.1	-20.3	175	-48.2	-36.7	-55.4	0	0	112.9	L171 I173 L198 V221 V246 V247 K248 T252 E253	L171-Q250 HydrophobicContact CD1-CB 4.03Å; L171-Q250 HydrophobicContact CD1-CG 4.32Å; I173-Q250 HydrophobicContact CD1-CG 3.98Å; L198-Q250 HydrophobicContact CD1-CB 4.23Å; L198-Q250 HydrophobicContact CD2-CB 4.03Å; V221-Q250 HydrophobicContact CG1-CG 4.23Å; V246-Q250 PolarHBondContact O-NE2 3.3Å; V247-Q250 WeakPolarHBondContact O-CB 2.96Å; V247-Q250 PolarHBondContact O-N 3.33Å; K248-Q250 PolarHBondContact O-N 2.98Å; K248-Q250 VanDerWaalsContact O-N 3.1Å; Q250-T252 VanDerWaalsContact C-N 3.3Å; Q250-T252 PolarHBondContact O-N 2.69Å; Q250-E253 WeakPolarHBondContact O-CG 3.44Å
251	L	92.3	Very high	92	Very high	3 Å²	3	37 Å²	37	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-78.1	-15.9	-177	-58.6	173.6	0	0	0	112.8	F195 E197 L198 K248 E253 F254 L265 L269	F195-L251 HydrophobicContact CD1-CD1 3.76Å; F195-L251 HydrophobicContact CD1-CD2 4.31Å; F195-L251 HydrophobicContact CE1-CD1 3.57Å; E197-L251 HydrophobicContact CG-CD2 3.68Å; L198-L251 HydrophobicContact CD1-CD2 3.73Å; L198-L251 HydrophobicContact CD1-CG 4.34Å; L198-L251 HydrophobicContact CD2-CD2 4.31Å; L198-L251 HydrophobicContact CG-CD2 3.95Å; K248-L251 HydrophobicContact CG-CD1 4.44Å; K248-L251 PolarHBondContact O-N 2.69Å; L251-E253 PolarHBondContact O-N 3.22Å; L251-E253 VanDerWaalsContact O-N 3.13Å; L251-F254 WeakPolarHBondContact O-CB 3.41Å; L251-F254 PolarHBondContact O-N 2.85Å; L251-L265 HydrophobicContact CD1-CD1 3.9Å; L251-L265 HydrophobicContact CD1-CD2 4.2Å; L251-L269 HydrophobicContact CB-CD2 4.19Å
252	T	91.6	Very high	92.1	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.025	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.5	-177.7	56.7	0	0	0	0	115.4	Q249 Q250 L269 I271 Q301 N302	Q249-T252 PolarHBondContact O-OG1 3.33Å; Q250-T252 VanDerWaalsContact C-N 3.3Å; Q250-T252 PolarHBondContact O-N 2.69Å; T252-L269 HydrophobicContact CG2-CD2 3.79Å; T252-I271 HydrophobicContact CG2-CD1 4.24Å; T252-I271 HydrophobicContact CG2-CG1 4.11Å; T252-Q301 VanDerWaalsContact OG1-CG 3.28Å; T252-Q301 WeakPolarHBondContact OG1-CG 3.45Å; T252-N302 WeakPolarHBondContact CB-OD1 3.22Å; T252-N302 WeakPolarHBondContact CG2-OD1 3.28Å; T252-N302 PolarHBondContact OG1-OD1 2.93Å
253	E	90.9	Very high	92	Very high	42 Å²	42	33.4 Å²	33.4	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.7	169.8	62.8	-169.1	-115.4	0	0	113.4	K223 Q250 L251 S297 Q301	K223-E253 IonicContact NZ-OE2 3.75Å; K223-E253 PolarHBondContact NZ-OE2 3.29Å; Q250-E253 WeakPolarHBondContact O-CG 3.44Å; L251-E253 PolarHBondContact O-N 3.22Å; L251-E253 VanDerWaalsContact O-N 3.13Å; E253-S297 WeakPolarHBondContact O-CB 3.28Å; E253-S297 PolarHBondContact O-OG 2.83Å; E253-Q301 HydrophobicContact CB-CB 4.18Å; E253-Q301 HydrophobicContact CB-CG 4.09Å; E253-Q301 PolarHBondContact OE2-NE2 2.82Å; E253-Q301 PolarHBondContact OE2-OE1 2.91Å
254	F	94.2	Very high	91.8	Very high	54 Å²	54	38.1 Å²	38.1	24%	0.237	18%	0.183	C	C	.	.	S	Bend	trans	-91.7	159.3	-178.1	-67.2	-103.3	0	0	0	112.2	N91 E197 L198 L251	N91-F254 HydrophobicContact CB-CD1 4.33Å; E197-F254 HydrophobicContact CB-CE1 4.15Å; E197-F254 HydrophobicContact CB-CZ 4.48Å; L198-F254 HydrophobicContact CD2-CE2 4.1Å; L198-F254 HydrophobicContact CD2-CZ 4.27Å; L251-F254 WeakPolarHBondContact O-CB 3.41Å; L251-F254 PolarHBondContact O-N 2.85Å
255	V	96.9	Very high	92	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.5	164.4	177	0	0	0	0	108	N91 I290 Y293 R294 F306 L308	N91-V255 PolarHBondContact ND2-O 3.49Å; N91-V255 PolarHBondContact OD1-O 3.16Å; V255-I290 HydrophobicContact CG1-CD1 4.15Å; V255-Y293 HydrophobicContact CB-CD1 4.32Å; V255-Y293 HydrophobicContact CG1-CD1 3.72Å; V255-Y293 HydrophobicContact CG1-CE1 3.75Å; V255-Y293 HydrophobicContact CG2-CD1 3.56Å; V255-Y293 HydrophobicContact CG2-CE1 4.07Å; V255-Y293 HydrophobicContact CG2-CG 4.39Å; V255-R294 HydrophobicContact CB-CG 4.31Å; V255-R294 HydrophobicContact CG2-CB 4.4Å; V255-R294 HydrophobicContact CG2-CG 3.78Å; V255-F306 CarbonylContact C-O 3.58Å; V255-F306 WeakPolarHBondContact CA-O 3.33Å; V255-F306 HydrophobicContact CG2-CB 4.09Å; V255-L308 HydrophobicContact CG1-CB 3.99Å
256	I	96.6	Very high	92.1	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.046	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.4	178.8	-55.7	-177.5	0	0	0	109.5	Y258 L265 I266 L269 L305 F306 I307 L308	I256-Y258 PolarHBondContact O-N 2.87Å; I256-L265 HydrophobicContact CD1-CD2 4.34Å; I256-I266 HydrophobicContact CD1-CG1 4.46Å; I256-I266 HydrophobicContact CG2-CD1 4.01Å; I256-I266 HydrophobicContact CG2-CG1 4.01Å; I256-L269 HydrophobicContact CD1-CD1 3.46Å; I256-L269 VanDerWaalsContact CD1-CD1 3.46Å; I256-L305 HydrophobicContact CD1-CD1 4.03Å; I256-F306 PolarHBondContact N-O 2.91Å; I256-I307 CarbonylContact O-C 3.46Å; I256-I307 VanDerWaalsContact O-CA 3.3Å; I256-I307 WeakPolarHBondContact O-CA 3.28Å; I256-L308 PolarHBondContact O-N 3.42Å
257	E	96.8	Very high	91.9	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.6	170.3	-174.8	166.2	149.4	0	0	109.3	K88 G89 N259 S262 K281 L308	K88-E257 WeakPolarHBondContact O-CB 3.42Å; K88-E257 WeakPolarHBondContact O-CG 3.24Å; G89-E257 WeakPolarHBondContact CA-OE2 3.37Å; E257-N259 PolarHBondContact O-N 2.99Å; E257-N259 PolarHBondContact O-ND2 2.71Å; E257-S262 WeakPolarHBondContact O-CB 3.45Å; E257-S262 PolarHBondContact O-OG 3.04Å; E257-K281 IonicContact OE1-NZ 2.88Å; E257-K281 PolarHBondContact OE1-NZ 3.17Å; E257-K281 WeakPolarHBondContact OE2-CE 3.36Å; E257-K281 IonicContact OE2-NZ 2.74Å; E257-K281 PolarHBondContact OE2-NZ 2.88Å; E257-L308 HydrophobicContact CB-CD2 4.35Å; E257-L308 HydrophobicContact CG-CD2 3.8Å
258	Y	96	Very high	91.8	Very high	47 Å²	47	45.4 Å²	45.4	18%	0.184	21%	0.211	C	C	.	.			trans	-76.8	116.5	178.4	173.8	-97.7	0	0	0	110.2	I256 R263 I266 L308 N316 I319	I256-Y258 PolarHBondContact O-N 2.87Å; Y258-R263 PolarHBondContact OH-NE 3.11Å; Y258-R263 PolarHBondContact OH-NH2 2.76Å; Y258-I266 HydrophobicContact CD2-CD1 4.07Å; Y258-L308 PolarHBondContact N-O 3.17Å; Y258-N316 WeakPolarHBondContact CD1-OD1 3.47Å; Y258-N316 WeakPolarHBondContact CE1-OD1 3.18Å; Y258-I319 HydrophobicContact CD1-CD1 4.24Å; Y258-I319 HydrophobicContact CD1-CG2 4.32Å; Y258-I319 HydrophobicContact CE1-CD1 4.26Å; Y258-I319 HydrophobicContact CE1-CG2 4.24Å; Y258-I319 HydrophobicContact CG-CD1 4.43Å
259	N	92.8	Very high	91.9	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.059	21%	0.208	C	C	.	.	S	Bend	trans	-146.5	173.8	175.6	60.3	45.6	0	0	0	108.3	K88 E257 E261 S262 R263	K88-N259 PolarHBondContact N-ND2 3.35Å; K88-N259 PolarHBondContact O-ND2 2.74Å; E257-N259 PolarHBondContact O-N 2.99Å; E257-N259 PolarHBondContact O-ND2 2.71Å; N259-E261 WeakPolarHBondContact CB-OE2 3.33Å; N259-E261 VanDerWaalsContact CG-OE2 3.29Å; N259-E261 PolarHBondContact O-N 2.92Å; N259-E261 WeakPolarHBondContact OD1-CA 3.45Å; N259-E261 WeakPolarHBondContact OD1-CB 3.41Å; N259-E261 PolarHBondContact OD1-N 2.71Å; N259-E261 PolarHBondContact OD1-OE2 3.43Å; N259-E261 VanDerWaalsContact OD1-OE2 3.07Å; N259-S262 PolarHBondContact N-OG 3.37Å; N259-S262 VanDerWaalsContact N-OG 3.15Å; N259-S262 PolarHBondContact O-OG 3.48Å; N259-S262 WeakPolarHBondContact OD1-CB 3.47Å; N259-S262 PolarHBondContact OD1-N 3.06Å; N259-S262 PolarHBondContact OD1-OG 3.49Å; N259-S262 VanDerWaalsContact OD1-OG 3.14Å; N259-R263 PolarHBondContact O-N 2.9Å
260	P	89.4	Confident	91.9	Very high	50 Å²	50	45.4 Å²	45.4	33%	0.325	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.8	179.2	-22	32.4	0	0	0	114.1
261	E	90.9	Very high	92	Very high	85 Å²	85	46 Å²	46	40%	0.397	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-38.7	-174.3	-56.3	67.3	-135.1	0	0	111.8	N259	N259-E261 WeakPolarHBondContact CB-OE2 3.33Å; N259-E261 VanDerWaalsContact CG-OE2 3.29Å; N259-E261 PolarHBondContact O-N 2.92Å; N259-E261 WeakPolarHBondContact OD1-CA 3.45Å; N259-E261 WeakPolarHBondContact OD1-CB 3.41Å; N259-E261 PolarHBondContact OD1-N 2.71Å; N259-E261 PolarHBondContact OD1-OE2 3.43Å; N259-E261 VanDerWaalsContact OD1-OE2 3.07Å
262	S	91.6	Very high	92	Very high	14 Å²	14	50.4 Å²	50.4	10%	0.098	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-15.2	178.7	72	0	0	0	0	113.4	E257 N259 N264 L265 I266	E257-S262 WeakPolarHBondContact O-CB 3.45Å; E257-S262 PolarHBondContact O-OG 3.04Å; N259-S262 PolarHBondContact N-OG 3.37Å; N259-S262 VanDerWaalsContact N-OG 3.15Å; N259-S262 PolarHBondContact O-OG 3.48Å; N259-S262 WeakPolarHBondContact OD1-CB 3.47Å; N259-S262 PolarHBondContact OD1-N 3.06Å; N259-S262 PolarHBondContact OD1-OG 3.49Å; N259-S262 VanDerWaalsContact OD1-OG 3.14Å; S262-N264 VanDerWaalsContact C-N 3.31Å; S262-N264 PolarHBondContact O-N 3.34Å; S262-L265 WeakPolarHBondContact O-CB 3.41Å; S262-L265 PolarHBondContact O-N 3.28Å; S262-I266 WeakPolarHBondContact O-CG1 3.5Å; S262-I266 PolarHBondContact O-N 2.72Å
263	R	89.1	Confident	92.2	Very high	94 Å²	94	51.7 Å²	51.7	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-52.8	-45.5	-179.5	-177	-174.3	-62.5	139.6	7.3	112.9	Y258 N259 I266 Y267	Y258-R263 PolarHBondContact OH-NE 3.11Å; Y258-R263 PolarHBondContact OH-NH2 2.76Å; N259-R263 PolarHBondContact O-N 2.9Å; R263-I266 PolarHBondContact O-N 2.79Å; R263-Y267 HydrophobicContact CG-CD2 4.08Å; R263-Y267 HydrophobicContact CG-CE2 3.69Å; R263-Y267 WeakPolarHBondContact O-CD2 3.36Å; R263-Y267 PolarHBondContact O-N 2.95Å
264	N	89.1	Confident	92.6	Very high	102 Å²	102	50.4 Å²	50.4	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-46.1	-178	-67.5	-3.1	0	0	0	110.6	S262 I266 Y267 E268	S262-N264 VanDerWaalsContact C-N 3.31Å; S262-N264 PolarHBondContact O-N 3.34Å; N264-I266 VanDerWaalsContact C-N 3.31Å; N264-I266 PolarHBondContact O-N 2.82Å; N264-Y267 PolarHBondContact O-N 2.91Å; N264-Y267 VanDerWaalsContact O-N 3.15Å; N264-E268 VanDerWaalsContact O-CG 3.24Å; N264-E268 WeakPolarHBondContact O-CG 3.18Å; N264-E268 PolarHBondContact O-N 3.06Å
265	L	91	Very high	92.8	Very high	31 Å²	31	47.8 Å²	47.8	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-43.9	174.8	175.3	62.7	0	0	0	111.9	K248 L251 I256 S262 Y267 E268 L269	K248-L265 HydrophobicContact CD-CD1 4.35Å; K248-L265 HydrophobicContact CG-CD1 4.02Å; L251-L265 HydrophobicContact CD1-CD1 3.9Å; L251-L265 HydrophobicContact CD1-CD2 4.2Å; I256-L265 HydrophobicContact CD1-CD2 4.34Å; S262-L265 WeakPolarHBondContact O-CB 3.41Å; S262-L265 PolarHBondContact O-N 3.28Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 3.29Å; L265-E268 PolarHBondContact O-N 2.91Å; L265-L269 HydrophobicContact CD1-CD1 4.16Å; L265-L269 HydrophobicContact CD1-CD2 4.35Å; L265-L269 HydrophobicContact CD1-CG 4.02Å; L265-L269 HydrophobicContact CG-CD1 4.03Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.01Å
266	I	92.8	Very high	92.8	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-41.9	178.3	-72	164.4	0	0	0	111.6	I256 Y258 S262 R263 N264 H274 L305 I307	I256-I266 HydrophobicContact CD1-CG1 4.46Å; I256-I266 HydrophobicContact CG2-CD1 4.01Å; I256-I266 HydrophobicContact CG2-CG1 4.01Å; Y258-I266 HydrophobicContact CD2-CD1 4.07Å; S262-I266 WeakPolarHBondContact O-CG1 3.5Å; S262-I266 PolarHBondContact O-N 2.72Å; R263-I266 PolarHBondContact O-N 2.79Å; N264-I266 VanDerWaalsContact C-N 3.31Å; N264-I266 PolarHBondContact O-N 2.82Å; I266-H274 VanDerWaalsContact CG2-CE1 3.48Å; I266-H274 WeakPolarHBondContact CG2-CE1 3.2Å; I266-L305 HydrophobicContact CG2-CD2 4.13Å; I266-I307 HydrophobicContact CD1-CD1 4.3Å; I266-I307 HydrophobicContact CG2-CD1 3.86Å
267	Y	87.4	Confident	92.9	Very high	157 Å²	157	47.2 Å²	47.2	62%	0.616	24%	0.235	S	C	*	.	H	α-helix	trans	-70.5	-44.4	175	-72	-60.3	0	0	0	112.5	R263 N264 L265 L269 S270	R263-Y267 HydrophobicContact CG-CD2 4.08Å; R263-Y267 HydrophobicContact CG-CE2 3.69Å; R263-Y267 WeakPolarHBondContact O-CD2 3.36Å; R263-Y267 PolarHBondContact O-N 2.95Å; N264-Y267 PolarHBondContact O-N 2.91Å; N264-Y267 VanDerWaalsContact O-N 3.15Å; L265-Y267 VanDerWaalsContact C-N 3.31Å; L265-Y267 PolarHBondContact O-N 3.29Å; Y267-L269 VanDerWaalsContact C-N 3.27Å; Y267-L269 PolarHBondContact O-N 3.46Å; Y267-S270 PolarHBondContact O-N 3.1Å
268	E	89	Confident	92.9	Very high	97 Å²	97	46.4 Å²	46.4	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-31.3	-178.1	-70.1	166.4	176.8	0	0	113	K248 N264 L265 S270	K248-E268 HydrophobicContact CD-CB 4.33Å; K248-E268 WeakPolarHBondContact CE-OE2 3.13Å; K248-E268 IonicContact NZ-OE2 2.73Å; K248-E268 PolarHBondContact NZ-OE2 3.37Å; N264-E268 VanDerWaalsContact O-CG 3.24Å; N264-E268 WeakPolarHBondContact O-CG 3.18Å; N264-E268 PolarHBondContact O-N 3.06Å; L265-E268 PolarHBondContact O-N 2.91Å; E268-S270 PolarHBondContact O-N 3.05Å; E268-S270 VanDerWaalsContact O-N 3.12Å; E268-S270 PolarHBondContact O-OG 3.13Å
269	L	91.3	Very high	92.9	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.079	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.8	174.5	-72.6	166.5	0	0	0	113.5	K248 L251 T252 I256 L265 Y267 I271 L305	K248-L269 HydrophobicContact CB-CD2 3.91Å; K248-L269 WeakPolarHBondContact O-CD2 3.3Å; L251-L269 HydrophobicContact CB-CD2 4.19Å; T252-L269 HydrophobicContact CG2-CD2 3.79Å; I256-L269 HydrophobicContact CD1-CD1 3.46Å; I256-L269 VanDerWaalsContact CD1-CD1 3.46Å; L265-L269 HydrophobicContact CD1-CD1 4.16Å; L265-L269 HydrophobicContact CD1-CD2 4.35Å; L265-L269 HydrophobicContact CD1-CG 4.02Å; L265-L269 HydrophobicContact CG-CD1 4.03Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.01Å; Y267-L269 VanDerWaalsContact C-N 3.27Å; Y267-L269 PolarHBondContact O-N 3.46Å; L269-I271 WeakPolarHBondContact O-CG1 3.33Å; L269-I271 PolarHBondContact O-N 2.82Å; L269-L305 HydrophobicContact CB-CD2 4.49Å; L269-L305 HydrophobicContact CD1-CD1 3.94Å; L269-L305 HydrophobicContact CD1-CD2 4.09Å
270	S	88.4	Confident	93	Very high	94 Å²	94	44.8 Å²	44.8	66%	0.657	23%	0.228	S	C	*	.			trans	58.9	21.8	168	-54.6	0	0	0	0	115.8	Y267 E268	Y267-S270 PolarHBondContact O-N 3.1Å; E268-S270 PolarHBondContact O-N 3.05Å; E268-S270 VanDerWaalsContact O-N 3.12Å; E268-S270 PolarHBondContact O-OG 3.13Å
271	I	93.3	Very high	93.2	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.118	21%	0.214	C	C	.	.			trans	-88.2	111.5	178.9	-54.9	-55.2	0	0	0	110	T252 L269 N273 H274 L305	T252-I271 HydrophobicContact CG2-CD1 4.24Å; T252-I271 HydrophobicContact CG2-CG1 4.11Å; L269-I271 WeakPolarHBondContact O-CG1 3.33Å; L269-I271 PolarHBondContact O-N 2.82Å; I271-N273 PolarHBondContact O-N 3.07Å; I271-H274 PolarHBondContact O-CD2 3.48Å; I271-H274 PolarHBondContact O-NE2 3.18Å; I271-H274 VanDerWaalsContact O-NE2 3.15Å; I271-L305 HydrophobicContact CB-CB 4.04Å; I271-L305 HydrophobicContact CG1-CB 4.47Å; I271-L305 HydrophobicContact CG2-CB 4.1Å
272	L	92.9	Very high	93.2	Very high	95 Å²	95	41.6 Å²	41.6	50%	0.497	21%	0.21	S	C	.	.	S	Bend	trans	-68.9	-4.8	-172.9	-61.2	173.1	0	0	0	115.7	N337 L338	L272-N337 WeakPolarHBondContact O-CA 3.26Å; L272-N337 PolarHBondContact O-ND2 3Å; L272-L338 PolarHBondContact O-N 3.37Å
273	N	96.5	Very high	93.2	Very high	30 Å²	30	42.3 Å²	42.3	16%	0.16	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114.7	179.8	-47.4	-56.8	0	0	0	109.4	I271 K303 I304 L305 L336 N337 F363	I271-N273 PolarHBondContact O-N 3.07Å; N273-K303 PolarHBondContact ND2-O 3.22Å; N273-I304 HydrophobicContact CB-CG1 4.26Å; N273-I304 CarbonylContact O-C 3.6Å; N273-I304 WeakPolarHBondContact O-CA 3.4Å; N273-L305 PolarHBondContact O-N 3.06Å; N273-L336 WeakPolarHBondContact CA-O 3.3Å; N273-N337 PolarHBondContact OD1-ND2 2.89Å; N273-F363 HydrophobicContact CB-CE1 3.76Å; N273-F363 HydrophobicContact CB-CZ 4.02Å; N273-F363 WeakPolarHBondContact OD1-CZ 3.46Å
274	H	97.8	Very high	93.2	Very high	15 Å²	15	44.2 Å²	44.2	7%	0.069	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.2	175.6	-66.1	-179.7	0	0	0	109.1	I266 I271 L276 L305 I307 I335 L336 L338	I266-H274 VanDerWaalsContact CG2-CE1 3.48Å; I266-H274 WeakPolarHBondContact CG2-CE1 3.2Å; I271-H274 PolarHBondContact O-CD2 3.48Å; I271-H274 PolarHBondContact O-NE2 3.18Å; I271-H274 VanDerWaalsContact O-NE2 3.15Å; H274-L276 HydrophobicContact CB-CD1 3.87Å; H274-L305 CarbonylContact C-O 3.47Å; H274-L305 WeakPolarHBondContact CA-O 3.45Å; H274-I307 HydrophobicContact CB-CD1 3.94Å; H274-I307 WeakPolarHBondContact ND1-CD1 3.43Å; H274-I335 CarbonylContact O-C 3.58Å; H274-I335 VanDerWaalsContact O-CA 3.29Å; H274-I335 WeakPolarHBondContact O-CA 3.26Å; H274-L336 PolarHBondContact N-O 3.09Å; H274-L336 PolarHBondContact O-N 3.45Å; H274-L338 HydrophobicContact CB-CD1 4.29Å
275	M	98.3	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.9	159.4	-175.5	173.6	-82.8	0	0	108.2	Y293 I304 L305 F306 I307 V333 Q334 I335 L356 F359 C360	M275-Y293 VanDerWaalsContact C-OH 3.32Å; M275-Y293 HydrophobicContact CG-CE2 3.97Å; M275-Y293 WeakPolarHBondContact CG-OH 3.43Å; M275-Y293 PolarHBondContact O-OH 3.46Å; M275-Y293 VanDerWaalsContact O-OH 3.07Å; M275-Y293 HydrophobicContact SD-CE2 3.67Å; M275-I304 HydrophobicContact CB-CG2 3.73Å; M275-L305 PolarHBondContact N-O 3.47Å; M275-F306 HydrophobicContact SD-CD1 4.2Å; M275-F306 HydrophobicContact SD-CE1 3.63Å; M275-F306 HydrophobicContact SD-CZ 4.09Å; M275-I307 PolarHBondContact O-N 3.41Å; M275-V333 HydrophobicContact CE-CG1 4.2Å; M275-V333 HydrophobicContact CG-CG1 3.57Å; M275-V333 HydrophobicContact SD-CG1 3.69Å; M275-Q334 CarbonylContact C-O 3.45Å; M275-Q334 WeakPolarHBondContact CA-O 3.47Å; M275-I335 HydrophobicContact CB-CG1 4.14Å; M275-I335 HydrophobicContact CE-CD1 3.58Å; M275-I335 HydrophobicContact CE-CG1 3.6Å; M275-I335 HydrophobicContact CG-CG1 4.16Å; M275-L356 HydrophobicContact SD-CD2 3.95Å; M275-F359 HydrophobicContact CE-CD1 3.53Å; M275-F359 HydrophobicContact CE-CE1 3.94Å; M275-F359 HydrophobicContact CE-CG 4.38Å; M275-C360 WeakPolarHBondContact CE-SG 3.37Å
276	L	98.1	Very high	93.4	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.7	179.8	-61.2	92.5	0	0	0	109.3	H274 F278 I307 V309 I319 F323 V333 Q334 L336	H274-L276 HydrophobicContact CB-CD1 3.87Å; L276-F278 HydrophobicContact CB-CD2 4.24Å; L276-F278 HydrophobicContact CB-CE2 3.43Å; L276-F278 VanDerWaalsContact CB-CE2 3.43Å; L276-F278 HydrophobicContact CB-CZ 3.73Å; L276-F278 HydrophobicContact CD2-CZ 3.96Å; L276-F278 HydrophobicContact CG-CZ 4.45Å; L276-I307 WeakPolarHBondContact CA-O 3.39Å; L276-I307 HydrophobicContact CG-CB 4.24Å; L276-V309 HydrophobicContact CD2-CG2 4.02Å; L276-I319 HydrophobicContact CD2-CD1 3.91Å; L276-F323 HydrophobicContact CD1-CE1 3.91Å; L276-F323 HydrophobicContact CD1-CE2 4.25Å; L276-F323 HydrophobicContact CD1-CZ 3.47Å; L276-F323 VanDerWaalsContact CD1-CZ 3.47Å; L276-F323 HydrophobicContact CD2-CD2 4.36Å; L276-F323 HydrophobicContact CD2-CE2 3.56Å; L276-F323 HydrophobicContact CD2-CZ 3.68Å; L276-F323 HydrophobicContact CG-CZ 4.18Å; L276-V333 WeakPolarHBondContact O-CA 3.45Å; L276-Q334 PolarHBondContact N-O 3.42Å; L276-Q334 PolarHBondContact O-N 3.23Å; L276-L336 HydrophobicContact CD1-CB 4.26Å
277	L	98.3	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.9	169.2	166.7	63.5	0	0	0	108.2	I279 I289 Y293 I307 L308 V309 V333 I351	L277-I279 HydrophobicContact CD1-CB 4.21Å; L277-I279 HydrophobicContact CD1-CG2 4.44Å; L277-I279 HydrophobicContact CD2-CG2 4.12Å; L277-I279 HydrophobicContact CG-CB 4.23Å; L277-I279 HydrophobicContact CG-CG2 3.92Å; L277-I289 HydrophobicContact CD1-CG2 3.96Å; L277-I289 HydrophobicContact CD2-CG2 3.82Å; L277-Y293 HydrophobicContact CB-CD1 4.14Å; L277-Y293 HydrophobicContact CB-CD2 4.24Å; L277-Y293 HydrophobicContact CB-CE1 3.66Å; L277-Y293 HydrophobicContact CB-CE2 3.78Å; L277-Y293 HydrophobicContact CB-CG 4.42Å; L277-Y293 VanDerWaalsContact CB-CZ 3.46Å; L277-Y293 HydrophobicContact CD2-CD1 3.78Å; L277-Y293 HydrophobicContact CD2-CD2 4.22Å; L277-Y293 HydrophobicContact CD2-CE1 4.16Å; L277-Y293 HydrophobicContact CD2-CG 3.82Å; L277-Y293 PolarHBondContact N-OH 2.81Å; L277-I307 PolarHBondContact N-O 3.34Å; L277-L308 HydrophobicContact CD2-CD1 4.29Å; L277-V309 PolarHBondContact O-N 3.24Å; L277-V333 HydrophobicContact CD1-CG2 3.94Å; L277-I351 HydrophobicContact CD1-CD1 4Å; L277-I351 HydrophobicContact CD1-CG2 4.49Å
278	F	97	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.3	175	-59.7	-97.7	0	0	0	107.7	L276 V309 I319 F320 F323 I325 P331 S332	L276-F278 HydrophobicContact CB-CD2 4.24Å; L276-F278 HydrophobicContact CB-CE2 3.43Å; L276-F278 VanDerWaalsContact CB-CE2 3.43Å; L276-F278 HydrophobicContact CB-CZ 3.73Å; L276-F278 HydrophobicContact CD2-CZ 3.96Å; L276-F278 HydrophobicContact CG-CZ 4.45Å; F278-V309 WeakPolarHBondContact CA-O 3.09Å; F278-V309 HydrophobicContact CD1-CB 3.66Å; F278-V309 HydrophobicContact CD1-CG1 3.75Å; F278-V309 HydrophobicContact CD1-CG2 4.1Å; F278-V309 HydrophobicContact CE1-CB 3.9Å; F278-V309 HydrophobicContact CE1-CG1 3.94Å; F278-V309 HydrophobicContact CE1-CG2 3.83Å; F278-V309 HydrophobicContact CG-CB 4.31Å; F278-V309 HydrophobicContact CZ-CG2 4.3Å; F278-I319 HydrophobicContact CE1-CG1 4.48Å; F278-F320 HydrophobicContact CB-CE1 3.96Å; F278-F320 HydrophobicContact CB-CZ 4.19Å; F278-F320 HydrophobicContact CD1-CD1 4.1Å; F278-F320 AromaticContact CD1-CE1 3.72Å; F278-F320 HydrophobicContact CD1-CE1 3.72Å; F278-F320 HydrophobicContact CD1-CE2 4.26Å; F278-F320 AromaticContact CD1-CZ 3.79Å; F278-F320 HydrophobicContact CD1-CZ 3.79Å; F278-F320 HydrophobicContact CG-CE1 4.26Å; F278-F320 HydrophobicContact CG-CZ 4.49Å; F278-F323 HydrophobicContact CE1-CB 4.36Å; F278-F323 HydrophobicContact CE1-CD2 4.22Å; F278-F323 HydrophobicContact CE1-CG 4.4Å; F278-F323 HydrophobicContact CE2-CD1 4.5Å; F278-F323 HydrophobicContact CE2-CG 4.32Å; F278-F323 HydrophobicContact CZ-CB 3.87Å; F278-F323 HydrophobicContact CZ-CD1 4.15Å; F278-F323 AromaticContact CZ-CD2 3.61Å; F278-F323 HydrophobicContact CZ-CD2 3.61Å; F278-F323 HydrophobicContact CZ-CE2 4.19Å; F278-F323 AromaticContact CZ-CG 3.6Å; F278-F323 HydrophobicContact CZ-CG 3.6Å; F278-I325 HydrophobicContact CB-CD1 4.22Å; F278-I325 HydrophobicContact CD1-CD1 3.74Å; F278-I325 HydrophobicContact CD2-CD1 3.19Å; F278-I325 HydrophobicContact CE1-CD1 3.83Å; F278-I325 HydrophobicContact CE2-CD1 3.29Å; F278-I325 HydrophobicContact CG-CD1 3.44Å; F278-I325 VanDerWaalsContact CG-CD1 3.44Å; F278-I325 HydrophobicContact CZ-CD1 3.62Å; F278-P331 CarbonylContact O-C 3.46Å; F278-P331 WeakPolarHBondContact O-CA 3.37Å; F278-S332 PolarHBondContact N-O 3.48Å; F278-S332 PolarHBondContact O-N 2.61Å
279	I	96.1	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.7	-172.6	-168.8	153.3	0	0	0	111.9	L277 Y286 I289 L308 V309 N310 S311 P331	L277-I279 HydrophobicContact CD1-CB 4.21Å; L277-I279 HydrophobicContact CD1-CG2 4.44Å; L277-I279 HydrophobicContact CD2-CG2 4.12Å; L277-I279 HydrophobicContact CG-CB 4.23Å; L277-I279 HydrophobicContact CG-CG2 3.92Å; I279-Y286 HydrophobicContact CD1-CD2 4.27Å; I279-Y286 HydrophobicContact CG1-CD2 4.37Å; I279-Y286 HydrophobicContact CG2-CD2 4.09Å; I279-I289 HydrophobicContact CD1-CB 3.95Å; I279-I289 HydrophobicContact CD1-CD1 3.7Å; I279-I289 HydrophobicContact CD1-CG1 4.42Å; I279-I289 HydrophobicContact CD1-CG2 3.88Å; I279-L308 HydrophobicContact CG2-CD1 3.72Å; I279-L308 HydrophobicContact CG2-CG 4.09Å; I279-V309 PolarHBondContact N-O 3.05Å; I279-V309 VanDerWaalsContact N-O 3.11Å; I279-N310 CarbonylContact O-C 3.5Å; I279-N310 WeakPolarHBondContact O-CA 3.41Å; I279-N310 PolarHBondContact O-OD1 3.1Å; I279-S311 PolarHBondContact O-N 3.36Å; I279-S311 PolarHBondContact O-OG 3.37Å; I279-P331 HydrophobicContact CB-CB 4.22Å; I279-P331 HydrophobicContact CD1-CB 3.89Å; I279-P331 HydrophobicContact CG1-CB 3.97Å
280	S	94.8	Very high	94.1	Very high	25 Å²	25	34.1 Å²	34.1	18%	0.175	19%	0.189	C	C	.	.			trans	-81.1	122.1	167.9	171.1	0	0	0	0	109.1	N282 S283 Y286 S311 D312	S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 2.99Å; S280-N282 PolarHBondContact OG-N 3.47Å; S280-S283 WeakPolarHBondContact O-CB 3.46Å; S280-S283 PolarHBondContact O-N 3.35Å; S280-S283 PolarHBondContact O-OG 3.12Å; S280-S283 PolarHBondContact OG-N 2.94Å; S280-Y286 WeakPolarHBondContact O-CB 3.18Å; S280-S311 WeakPolarHBondContact CA-OG 3.48Å; S280-S311 VanDerWaalsContact CB-OG 3.29Å; S280-S311 WeakPolarHBondContact CB-OG 3.31Å; S280-S311 PolarHBondContact N-OG 2.94Å; S280-S311 VanDerWaalsContact N-OG 3.13Å; S280-D312 WeakPolarHBondContact CA-OD1 3.21Å; S280-D312 WeakPolarHBondContact CB-OD1 3.48Å; S280-D312 PolarHBondContact OG-OD1 2.85Å; S280-D312 PolarHBondContact OG-OD2 3.26Å
281	K	93.1	Very high	94.3	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.03	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	176.2	-69.3	176.2	67.9	-167.8	0	111.4	E38 E257 S283 Y286 L308 N310 D312	E38-K281 VanDerWaalsContact OE1-CE 3.26Å; E38-K281 WeakPolarHBondContact OE1-CE 3.24Å; E38-K281 IonicContact OE1-NZ 3.51Å; E38-K281 PolarHBondContact OE1-NZ 2.9Å; E38-K281 VanDerWaalsContact OE2-CE 3.32Å; E38-K281 WeakPolarHBondContact OE2-CE 3.48Å; E38-K281 IonicContact OE2-NZ 3.74Å; E38-K281 PolarHBondContact OE2-NZ 2.84Å; E257-K281 IonicContact OE1-NZ 2.88Å; E257-K281 PolarHBondContact OE1-NZ 3.17Å; E257-K281 WeakPolarHBondContact OE2-CE 3.36Å; E257-K281 IonicContact OE2-NZ 2.74Å; E257-K281 PolarHBondContact OE2-NZ 2.88Å; K281-S283 PolarHBondContact O-N 3.47Å; K281-Y286 HydrophobicContact CB-CD1 4.29Å; K281-Y286 HydrophobicContact CB-CE1 4.22Å; K281-Y286 HydrophobicContact CG-CD2 4.4Å; K281-Y286 HydrophobicContact CG-CE1 4.27Å; K281-Y286 HydrophobicContact CG-CE2 4.04Å; K281-Y286 VanDerWaalsContact O-CD1 3.22Å; K281-Y286 WeakPolarHBondContact O-CD1 3.32Å; K281-L308 HydrophobicContact CD-CD2 4.48Å; K281-N310 HydrophobicContact CD-CB 4.06Å; K281-N310 HydrophobicContact CG-CB 4.33Å; K281-N310 PolarHBondContact N-OD1 2.88Å; K281-D312 PolarHBondContact N-OD2 3.4Å
282	N	91.5	Very high	94.5	Very high	60 Å²	60	32 Å²	32	32%	0.321	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	8.9	173.3	-73.3	-35.7	0	0	0	114.1	H35 E38 S280 D312	H35-N282 PolarHBondContact CE1-O 2.8Å; E38-N282 PolarHBondContact N-OD1 2.85Å; S280-N282 VanDerWaalsContact C-N 3.25Å; S280-N282 PolarHBondContact O-N 2.99Å; S280-N282 PolarHBondContact OG-N 3.47Å; N282-D312 PolarHBondContact N-OD2 2.86Å
283	S	92.4	Very high	94.7	Very high	29 Å²	29	27.5 Å²	27.5	20%	0.203	14%	0.142	C	C	.	.	S	Bend	trans	-88.5	146.6	171.5	71.2	0	0	0	0	112.7	H35 S280 K281 Y286	H35-S283 PolarHBondContact CE1-O 3.04Å; H35-S283 PolarHBondContact ND1-O 3.11Å; S280-S283 WeakPolarHBondContact O-CB 3.46Å; S280-S283 PolarHBondContact O-N 3.35Å; S280-S283 PolarHBondContact O-OG 3.12Å; S280-S283 PolarHBondContact OG-N 2.94Å; K281-S283 PolarHBondContact O-N 3.47Å; S283-Y286 WeakPolarHBondContact O-CB 3.2Å; S283-Y286 PolarHBondContact O-N 3.15Å
284	E	88.7	Confident	94.6	Very high	134 Å²	134	30.2 Å²	30.2	63%	0.626	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-50.1	175.5	-172.9	-178.2	-179.5	0	0	113.9	Y286 S287	E284-Y286 PolarHBondContact O-N 3.5Å; E284-S287 PolarHBondContact O-OG 3.39Å
285	P	91.3	Very high	94.5	Very high	57 Å²	57	32.9 Å²	32.9	37%	0.37	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-10.2	-175.1	30.2	-38.3	0	0	0	114.6	S287 I288 I289	P285-S287 VanDerWaalsContact C-N 3.3Å; P285-S287 PolarHBondContact O-N 3.03Å; P285-I288 PolarHBondContact O-N 3.15Å; P285-I289 HydrophobicContact CB-CD1 3.89Å; P285-I289 HydrophobicContact CG-CD1 4.44Å; P285-I289 WeakPolarHBondContact O-CG1 3.35Å; P285-I289 PolarHBondContact O-N 3.46Å
286	Y	93.3	Very high	94.4	Very high	41 Å²	41	32.9 Å²	32.9	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-51.4	-47.5	-179.3	164.2	-117.7	0	0	0	112.9	I279 S280 K281 S283 E284 I288 I289 I290 L308	I279-Y286 HydrophobicContact CD1-CD2 4.27Å; I279-Y286 HydrophobicContact CG1-CD2 4.37Å; I279-Y286 HydrophobicContact CG2-CD2 4.09Å; S280-Y286 WeakPolarHBondContact O-CB 3.18Å; K281-Y286 HydrophobicContact CB-CD1 4.29Å; K281-Y286 HydrophobicContact CB-CE1 4.22Å; K281-Y286 HydrophobicContact CG-CD2 4.4Å; K281-Y286 HydrophobicContact CG-CE1 4.27Å; K281-Y286 HydrophobicContact CG-CE2 4.04Å; K281-Y286 VanDerWaalsContact O-CD1 3.22Å; K281-Y286 WeakPolarHBondContact O-CD1 3.32Å; S283-Y286 WeakPolarHBondContact O-CB 3.2Å; S283-Y286 PolarHBondContact O-N 3.15Å; E284-Y286 PolarHBondContact O-N 3.5Å; Y286-I288 VanDerWaalsContact C-N 3.29Å; Y286-I288 PolarHBondContact O-N 2.86Å; Y286-I289 PolarHBondContact O-N 3.49Å; Y286-I290 HydrophobicContact CD2-CB 4.17Å; Y286-I290 HydrophobicContact CD2-CG2 4.47Å; Y286-I290 HydrophobicContact CE2-CB 3.72Å; Y286-I290 HydrophobicContact CE2-CD1 4.46Å; Y286-I290 HydrophobicContact CE2-CG1 3.95Å; Y286-I290 HydrophobicContact CE2-CG2 4.08Å; Y286-I290 WeakPolarHBondContact O-CB 3.5Å; Y286-I290 VanDerWaalsContact O-CG2 3.22Å; Y286-I290 WeakPolarHBondContact O-CG2 3.37Å; Y286-I290 PolarHBondContact O-N 3.01Å; Y286-L308 HydrophobicContact CE2-CD1 3.79Å
287	S	90.3	Very high	94.4	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-27.2	-174.2	52.2	0	0	0	0	113.3	P33 E284 P285 R291	P33-S287 VanDerWaalsContact CG-CB 3.48Å; P33-S287 WeakPolarHBondContact CG-OG 3.42Å; E284-S287 PolarHBondContact O-OG 3.39Å; P285-S287 VanDerWaalsContact C-N 3.3Å; P285-S287 PolarHBondContact O-N 3.03Å; S287-R291 WeakPolarHBondContact O-CD 3.26Å; S287-R291 WeakPolarHBondContact O-CG 3.45Å
288	I	92.3	Very high	94.2	Very high	62 Å²	62	39.2 Å²	39.2	32%	0.318	19%	0.191	S	C	.	.	H	α-helix	trans	-79.9	-49.8	171.6	-62.2	172.5	0	0	0	110.2	P33 P285 Y286 I290 R291 H292	P33-I288 HydrophobicContact CG-CG1 3.87Å; P285-I288 PolarHBondContact O-N 3.15Å; Y286-I288 VanDerWaalsContact C-N 3.29Å; Y286-I288 PolarHBondContact O-N 2.86Å; I288-I290 PolarHBondContact O-N 3.21Å; I288-R291 WeakPolarHBondContact O-CB 3.41Å; I288-R291 PolarHBondContact O-N 3.05Å; I288-H292 PolarHBondContact O-N 3.35Å
289	I	95.8	Very high	94.1	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-43.2	-175.9	-68.3	169.1	0	0	0	111.2	L277 I279 P285 Y286 R291 H292 Y293 P331 I351	L277-I289 HydrophobicContact CD1-CG2 3.96Å; L277-I289 HydrophobicContact CD2-CG2 3.82Å; I279-I289 HydrophobicContact CD1-CB 3.95Å; I279-I289 HydrophobicContact CD1-CD1 3.7Å; I279-I289 HydrophobicContact CD1-CG1 4.42Å; I279-I289 HydrophobicContact CD1-CG2 3.88Å; P285-I289 HydrophobicContact CB-CD1 3.89Å; P285-I289 HydrophobicContact CG-CD1 4.44Å; P285-I289 WeakPolarHBondContact O-CG1 3.35Å; P285-I289 PolarHBondContact O-N 3.46Å; Y286-I289 PolarHBondContact O-N 3.49Å; I289-R291 VanDerWaalsContact C-N 3.28Å; I289-R291 PolarHBondContact O-N 2.81Å; I289-H292 PolarHBondContact O-N 3.37Å; I289-Y293 WeakPolarHBondContact O-CB 3.22Å; I289-Y293 PolarHBondContact O-N 3.29Å; I289-P331 HydrophobicContact CD1-CB 4.4Å; I289-P331 HydrophobicContact CD1-CG 4.03Å; I289-I351 HydrophobicContact CD1-CB 4.43Å; I289-I351 HydrophobicContact CD1-CD1 4.32Å; I289-I351 HydrophobicContact CG1-CB 4.27Å; I289-I351 HydrophobicContact CG2-CB 4.02Å; I289-I351 HydrophobicContact CG2-CD1 4.4Å; I289-I351 HydrophobicContact CG2-CG2 3.7Å
290	I	95	Very high	94.1	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-30.7	179.5	-165.5	52.7	0	0	0	112.5	V255 Y286 I288 Y293 R294 L308	V255-I290 HydrophobicContact CG1-CD1 4.15Å; Y286-I290 HydrophobicContact CD2-CB 4.17Å; Y286-I290 HydrophobicContact CD2-CG2 4.47Å; Y286-I290 HydrophobicContact CE2-CB 3.72Å; Y286-I290 HydrophobicContact CE2-CD1 4.46Å; Y286-I290 HydrophobicContact CE2-CG1 3.95Å; Y286-I290 HydrophobicContact CE2-CG2 4.08Å; Y286-I290 WeakPolarHBondContact O-CB 3.5Å; Y286-I290 VanDerWaalsContact O-CG2 3.22Å; Y286-I290 WeakPolarHBondContact O-CG2 3.37Å; Y286-I290 PolarHBondContact O-N 3.01Å; I288-I290 PolarHBondContact O-N 3.21Å; I290-Y293 HydrophobicContact CD1-CD1 4.31Å; I290-Y293 PolarHBondContact O-N 2.69Å; I290-R294 HydrophobicContact CD1-CG 4.27Å; I290-R294 HydrophobicContact CG1-CG 4.31Å; I290-R294 VanDerWaalsContact O-CB 3.26Å; I290-R294 WeakPolarHBondContact O-CB 3.31Å; I290-R294 WeakPolarHBondContact O-CG 3.44Å; I290-R294 PolarHBondContact O-N 3.45Å; I290-L308 HydrophobicContact CD1-CD1 3.76Å
291	R	94.1	Very high	93.9	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.166	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-47.2	173.6	-75.8	175.8	169.7	-179	1.3	110.9	S31 E56 S287 I288 I289 Y293 R294 M295	S31-R291 PolarHBondContact O-NH1 2.66Å; E56-R291 IonicContact OE1-CZ 3.63Å; E56-R291 IonicContact OE1-NE 3.26Å; E56-R291 PolarHBondContact OE1-NE 3.34Å; E56-R291 IonicContact OE1-NH2 2.6Å; E56-R291 PolarHBondContact OE1-NH2 2.96Å; S287-R291 WeakPolarHBondContact O-CD 3.26Å; S287-R291 WeakPolarHBondContact O-CG 3.45Å; I288-R291 WeakPolarHBondContact O-CB 3.41Å; I288-R291 PolarHBondContact O-N 3.05Å; I289-R291 VanDerWaalsContact C-N 3.28Å; I289-R291 PolarHBondContact O-N 2.81Å; R291-Y293 PolarHBondContact O-N 3.14Å; R291-R294 PolarHBondContact O-N 3.3Å; R291-M295 VanDerWaalsContact O-CG 3.27Å; R291-M295 WeakPolarHBondContact O-CG 3.47Å; R291-M295 PolarHBondContact O-N 3.27Å
292	H	96.1	Very high	93.8	Very high	28 Å²	28	48.6 Å²	48.6	13%	0.13	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-44.1	173.4	-70.5	-56.7	0	0	0	112.1	I288 I289 M295 V296 F353 L356	I288-H292 PolarHBondContact O-N 3.35Å; I289-H292 PolarHBondContact O-N 3.37Å; H292-M295 WeakPolarHBondContact O-CB 3.34Å; H292-M295 PolarHBondContact O-N 3.21Å; H292-M295 VanDerWaalsContact O-N 3.11Å; H292-V296 PolarHBondContact O-N 3.14Å; H292-F353 HydrophobicContact CB-CB 4.33Å; H292-F353 PolarHBondContact ND1-N 3.31Å; H292-L356 HydrophobicContact CB-CD1 4.28Å
293	Y	97.6	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-44.4	-179.9	-159.3	-120.1	0	0	0	112.3	V255 M275 L277 I289 I290 R291 M295 V296 S297 F306 I307 L356	V255-Y293 HydrophobicContact CB-CD1 4.32Å; V255-Y293 HydrophobicContact CG1-CD1 3.72Å; V255-Y293 HydrophobicContact CG1-CE1 3.75Å; V255-Y293 HydrophobicContact CG2-CD1 3.56Å; V255-Y293 HydrophobicContact CG2-CE1 4.07Å; V255-Y293 HydrophobicContact CG2-CG 4.39Å; M275-Y293 VanDerWaalsContact C-OH 3.32Å; M275-Y293 HydrophobicContact CG-CE2 3.97Å; M275-Y293 WeakPolarHBondContact CG-OH 3.43Å; M275-Y293 PolarHBondContact O-OH 3.46Å; M275-Y293 VanDerWaalsContact O-OH 3.07Å; M275-Y293 HydrophobicContact SD-CE2 3.67Å; L277-Y293 HydrophobicContact CB-CD1 4.14Å; L277-Y293 HydrophobicContact CB-CD2 4.24Å; L277-Y293 HydrophobicContact CB-CE1 3.66Å; L277-Y293 HydrophobicContact CB-CE2 3.78Å; L277-Y293 HydrophobicContact CB-CG 4.42Å; L277-Y293 VanDerWaalsContact CB-CZ 3.46Å; L277-Y293 HydrophobicContact CD2-CD1 3.78Å; L277-Y293 HydrophobicContact CD2-CD2 4.22Å; L277-Y293 HydrophobicContact CD2-CE1 4.16Å; L277-Y293 HydrophobicContact CD2-CG 3.82Å; L277-Y293 PolarHBondContact N-OH 2.81Å; I289-Y293 WeakPolarHBondContact O-CB 3.22Å; I289-Y293 PolarHBondContact O-N 3.29Å; I290-Y293 HydrophobicContact CD1-CD1 4.31Å; I290-Y293 PolarHBondContact O-N 2.69Å; R291-Y293 PolarHBondContact O-N 3.14Å; Y293-M295 VanDerWaalsContact C-N 3.27Å; Y293-M295 PolarHBondContact O-N 3.15Å; Y293-V296 PolarHBondContact O-N 3Å; Y293-S297 PolarHBondContact O-N 3.13Å; Y293-F306 HydrophobicContact CD1-CD1 4.36Å; Y293-F306 AromaticContact CD2-CD1 3.94Å; Y293-F306 HydrophobicContact CD2-CD1 3.94Å; Y293-F306 HydrophobicContact CD2-CE1 4.29Å; Y293-F306 HydrophobicContact CE1-CB 4.08Å; Y293-F306 HydrophobicContact CE1-CD1 4.05Å; Y293-F306 AromaticContact CE2-CD1 3.6Å; Y293-F306 HydrophobicContact CE2-CD1 3.6Å; Y293-F306 HydrophobicContact CE2-CE1 4.04Å; Y293-F306 HydrophobicContact CG-CD1 4.3Å; Y293-F306 AromaticContact CZ-CD1 3.66Å; Y293-I307 WeakPolarHBondContact CE1-O 3.5Å; Y293-I307 PolarHBondContact OH-N 3.44Å; Y293-I307 PolarHBondContact OH-O 3.3Å; Y293-L356 HydrophobicContact CD2-CD1 3.92Å; Y293-L356 HydrophobicContact CD2-CD2 3.85Å; Y293-L356 HydrophobicContact CE2-CD2 4.1Å
294	R	95.8	Very high	94.2	Very high	87 Å²	87	49.8 Å²	49.8	33%	0.328	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-16.8	172.8	-72.8	170.3	171.8	172.6	-2.1	114.5	E56 V255 I290 R291 S297 K298	E56-R294 IonicContact OE2-NH1 2.74Å; E56-R294 PolarHBondContact OE2-NH1 3Å; E56-R294 VanDerWaalsContact OE2-NH1 3.13Å; V255-R294 HydrophobicContact CB-CG 4.31Å; V255-R294 HydrophobicContact CG2-CB 4.4Å; V255-R294 HydrophobicContact CG2-CG 3.78Å; I290-R294 HydrophobicContact CD1-CG 4.27Å; I290-R294 HydrophobicContact CG1-CG 4.31Å; I290-R294 VanDerWaalsContact O-CB 3.26Å; I290-R294 WeakPolarHBondContact O-CB 3.31Å; I290-R294 WeakPolarHBondContact O-CG 3.44Å; I290-R294 PolarHBondContact O-N 3.45Å; R291-R294 PolarHBondContact O-N 3.3Å; R294-S297 PolarHBondContact O-OG 3.07Å; R294-K298 VanDerWaalsContact O-CE 3.26Å; R294-K298 WeakPolarHBondContact O-CE 3.45Å
295	M	94.9	Very high	94.7	Very high	72 Å²	72	43.4 Å²	43.4	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-82.5	-43.8	171.4	-73.3	173.1	-171.9	0	0	110.8	I30 R291 H292 Y293 F353	I30-M295 HydrophobicContact CD1-CE 3.79Å; I30-M295 HydrophobicContact CD1-SD 4.19Å; I30-M295 HydrophobicContact CG1-CE 4.25Å; R291-M295 VanDerWaalsContact O-CG 3.27Å; R291-M295 WeakPolarHBondContact O-CG 3.47Å; R291-M295 PolarHBondContact O-N 3.27Å; H292-M295 WeakPolarHBondContact O-CB 3.34Å; H292-M295 PolarHBondContact O-N 3.21Å; H292-M295 VanDerWaalsContact O-N 3.11Å; Y293-M295 VanDerWaalsContact C-N 3.27Å; Y293-M295 PolarHBondContact O-N 3.15Å; M295-F353 HydrophobicContact CB-CD2 3.58Å; M295-F353 HydrophobicContact CB-CE2 3.85Å
296	V	97.1	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-37.3	-179.5	-179.2	0	0	0	0	112.4	H292 Y293 K298 E299 F300 F306 F353 L356 K357	H292-V296 PolarHBondContact O-N 3.14Å; Y293-V296 PolarHBondContact O-N 3Å; V296-K298 PolarHBondContact O-N 2.94Å; V296-E299 PolarHBondContact O-N 3.06Å; V296-F300 HydrophobicContact CG1-CD2 3.76Å; V296-F300 HydrophobicContact CG1-CE2 3.75Å; V296-F300 WeakPolarHBondContact O-CD2 3.38Å; V296-F306 HydrophobicContact CB-CE1 4.16Å; V296-F306 HydrophobicContact CB-CZ 4.49Å; V296-F306 HydrophobicContact CG1-CE1 3.91Å; V296-F306 HydrophobicContact CG1-CZ 3.84Å; V296-F353 HydrophobicContact CB-CD2 4.44Å; V296-F353 HydrophobicContact CG2-CB 4.34Å; V296-F353 HydrophobicContact CG2-CD2 3.3Å; V296-F353 HydrophobicContact CG2-CE2 3.77Å; V296-F353 HydrophobicContact CG2-CG 3.98Å; V296-F353 VanDerWaalsContact CG2-O 3.31Å; V296-F353 WeakPolarHBondContact CG2-O 3.35Å; V296-L356 HydrophobicContact CB-CB 4.3Å; V296-L356 HydrophobicContact CG1-CB 4.21Å; V296-L356 HydrophobicContact CG2-CB 3.78Å; V296-L356 HydrophobicContact CG2-CD1 4.26Å; V296-K357 HydrophobicContact CG1-CB 4.36Å; V296-K357 HydrophobicContact CG2-CB 4.36Å
297	S	96.7	Very high	95.2	Very high	2 Å²	2	39 Å²	39	1%	0.014	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-52.3	-33	-179.5	67.7	0	0	0	0	113.4	E253 Y293 R294 E299 F300 Q301 F306	E253-S297 WeakPolarHBondContact O-CB 3.28Å; E253-S297 PolarHBondContact O-OG 2.83Å; Y293-S297 PolarHBondContact O-N 3.13Å; R294-S297 PolarHBondContact O-OG 3.07Å; S297-E299 PolarHBondContact O-N 3.19Å; S297-F300 PolarHBondContact O-N 3.38Å; S297-Q301 PolarHBondContact O-N 2.86Å; S297-F306 VanDerWaalsContact CB-CG 3.47Å
298	K	93.8	Very high	95.6	Very high	135 Å²	135	38.3 Å²	38.3	59%	0.587	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-70.6	-25.3	-179.9	-62.1	172.3	-177.2	173.8	0	114	R294 V296	R294-K298 VanDerWaalsContact O-CE 3.26Å; R294-K298 WeakPolarHBondContact O-CE 3.45Å; V296-K298 PolarHBondContact O-N 2.94Å
299	E	95.7	Very high	95.8	Very high	82 Å²	82	35.4 Å²	35.4	38%	0.383	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-80.3	-21.5	176.2	-67.7	-163.4	175.4	0	0	113.1	V296 S297 K357	V296-E299 PolarHBondContact O-N 3.06Å; S297-E299 PolarHBondContact O-N 3.19Å; E299-K357 VanDerWaalsContact CD-NZ 3.3Å; E299-K357 IonicContact OE1-NZ 2.71Å; E299-K357 PolarHBondContact OE1-NZ 3.01Å; E299-K357 VanDerWaalsContact OE2-CD 3.26Å; E299-K357 WeakPolarHBondContact OE2-CD 3.49Å; E299-K357 WeakPolarHBondContact OE2-CE 3.29Å; E299-K357 IonicContact OE2-NZ 3.44Å; E299-K357 PolarHBondContact OE2-NZ 2.83Å
300	F	95.5	Very high	95.8	Very high	12 Å²	12	35 Å²	35	5%	0.053	16%	0.158	C	C	.	.	S	Bend	trans	-114.4	19	-172.5	-62.8	-81.5	0	0	0	113.8	V296 S297 N302 K303 I304 F306 K357 C360 Q361 L364	V296-F300 HydrophobicContact CG1-CD2 3.76Å; V296-F300 HydrophobicContact CG1-CE2 3.75Å; V296-F300 WeakPolarHBondContact O-CD2 3.38Å; S297-F300 PolarHBondContact O-N 3.38Å; F300-N302 PolarHBondContact O-N 2.78Å; F300-K303 WeakPolarHBondContact O-CB 3.49Å; F300-K303 PolarHBondContact O-N 2.7Å; F300-I304 HydrophobicContact CB-CB 4.31Å; F300-I304 HydrophobicContact CD1-CD1 4.37Å; F300-I304 PolarHBondContact O-N 2.79Å; F300-I304 VanDerWaalsContact O-N 3.13Å; F300-F306 HydrophobicContact CB-CE2 3.92Å; F300-F306 HydrophobicContact CB-CZ 4.38Å; F300-F306 HydrophobicContact CD2-CZ 4.32Å; F300-K357 HydrophobicContact CE2-CG 4.35Å; F300-K357 HydrophobicContact CZ-CG 4.43Å; F300-C360 HydrophobicContact CD1-CB 3.86Å; F300-C360 HydrophobicContact CD2-CB 3.9Å; F300-C360 HydrophobicContact CE1-CB 3.54Å; F300-C360 HydrophobicContact CE2-CB 3.6Å; F300-C360 HydrophobicContact CG-CB 4.05Å; F300-C360 HydrophobicContact CZ-CB 3.41Å; F300-C360 VanDerWaalsContact CZ-CB 3.41Å; F300-Q361 HydrophobicContact CE1-CG 4.37Å; F300-Q361 HydrophobicContact CZ-CG 4.05Å; F300-L364 HydrophobicContact CD1-CD1 3.7Å; F300-L364 HydrophobicContact CE1-CD1 3.93Å
301	Q	91.4	Very high	95.8	Very high	47 Å²	47	36.7 Å²	36.7	22%	0.22	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	133.2	173.1	-175.3	170.8	46.2	0	0	111.6	K223 T252 E253 S297 K303	K223-Q301 VanDerWaalsContact NZ-NE2 3.13Å; K223-Q301 VanDerWaalsContact NZ-OE1 3.08Å; T252-Q301 VanDerWaalsContact OG1-CG 3.28Å; T252-Q301 WeakPolarHBondContact OG1-CG 3.45Å; E253-Q301 HydrophobicContact CB-CB 4.18Å; E253-Q301 HydrophobicContact CB-CG 4.09Å; E253-Q301 PolarHBondContact OE2-NE2 2.82Å; E253-Q301 PolarHBondContact OE2-OE1 2.91Å; S297-Q301 PolarHBondContact O-N 2.86Å; Q301-K303 PolarHBondContact O-N 3.4Å; Q301-K303 VanDerWaalsContact O-N 3.13Å
302	N	91.4	Very high	95.7	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	10.1	-177.3	-57.6	-38.2	0	0	0	116	T252 F300	T252-N302 WeakPolarHBondContact CB-OD1 3.22Å; T252-N302 WeakPolarHBondContact CG2-OD1 3.28Å; T252-N302 PolarHBondContact OG1-OD1 2.93Å; F300-N302 PolarHBondContact O-N 2.78Å
303	K	94.8	Very high	95.5	Very high	112 Å²	112	37.4 Å²	37.4	49%	0.487	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-41.5	177.4	-59	170.8	-172.3	165.2	0	112.7	N273 F300 Q301 L364	N273-K303 PolarHBondContact ND2-O 3.22Å; F300-K303 WeakPolarHBondContact O-CB 3.49Å; F300-K303 PolarHBondContact O-N 2.7Å; Q301-K303 PolarHBondContact O-N 3.4Å; Q301-K303 VanDerWaalsContact O-N 3.13Å; K303-L364 HydrophobicContact CB-CD1 4.27Å; K303-L364 HydrophobicContact CD-CD1 4.19Å
304	I	97.3	Very high	95.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-138.4	128.3	177.7	-57.1	174.6	0	0	0	107.1	N273 M275 F300 F306 C360 F363 L364	N273-I304 HydrophobicContact CB-CG1 4.26Å; N273-I304 CarbonylContact O-C 3.6Å; N273-I304 WeakPolarHBondContact O-CA 3.4Å; M275-I304 HydrophobicContact CB-CG2 3.73Å; F300-I304 HydrophobicContact CB-CB 4.31Å; F300-I304 HydrophobicContact CD1-CD1 4.37Å; F300-I304 PolarHBondContact O-N 2.79Å; F300-I304 VanDerWaalsContact O-N 3.13Å; I304-F306 HydrophobicContact CB-CE2 3.97Å; I304-F306 HydrophobicContact CG2-CD2 4.25Å; I304-F306 HydrophobicContact CG2-CE2 3.84Å; I304-F306 WeakPolarHBondContact O-CD2 3.34Å; I304-C360 HydrophobicContact CD1-CB 3.8Å; I304-F363 HydrophobicContact CD1-CD1 4.07Å; I304-L364 HydrophobicContact CD1-CD1 4.16Å; I304-L364 HydrophobicContact CD1-CD2 4.37Å; I304-L364 HydrophobicContact CD1-CG 4.11Å; I304-L364 HydrophobicContact CG1-CD1 4.49Å; I304-L364 HydrophobicContact CG1-CD2 4.26Å
305	L	97.9	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.2	172.3	-177.2	62.2	0	0	0	109.4	I256 I266 L269 I271 N273 H274 M275 I307	I256-L305 HydrophobicContact CD1-CD1 4.03Å; I266-L305 HydrophobicContact CG2-CD2 4.13Å; L269-L305 HydrophobicContact CB-CD2 4.49Å; L269-L305 HydrophobicContact CD1-CD1 3.94Å; L269-L305 HydrophobicContact CD1-CD2 4.09Å; I271-L305 HydrophobicContact CB-CB 4.04Å; I271-L305 HydrophobicContact CG1-CB 4.47Å; I271-L305 HydrophobicContact CG2-CB 4.1Å; N273-L305 PolarHBondContact O-N 3.06Å; H274-L305 CarbonylContact C-O 3.47Å; H274-L305 WeakPolarHBondContact CA-O 3.45Å; M275-L305 PolarHBondContact N-O 3.47Å; L305-I307 HydrophobicContact CD2-CD1 4.33Å; L305-I307 HydrophobicContact CD2-CG1 4.4Å; L305-I307 HydrophobicContact CG-CG1 4.23Å
306	F	98.4	Very high	94.7	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.7	-177.2	-77.5	-115.4	0	0	0	109.7	V255 I256 M275 Y293 V296 S297 F300 I304	V255-F306 CarbonylContact C-O 3.58Å; V255-F306 WeakPolarHBondContact CA-O 3.33Å; V255-F306 HydrophobicContact CG2-CB 4.09Å; I256-F306 PolarHBondContact N-O 2.91Å; M275-F306 HydrophobicContact SD-CD1 4.2Å; M275-F306 HydrophobicContact SD-CE1 3.63Å; M275-F306 HydrophobicContact SD-CZ 4.09Å; Y293-F306 HydrophobicContact CD1-CD1 4.36Å; Y293-F306 AromaticContact CD2-CD1 3.94Å; Y293-F306 HydrophobicContact CD2-CD1 3.94Å; Y293-F306 HydrophobicContact CD2-CE1 4.29Å; Y293-F306 HydrophobicContact CE1-CB 4.08Å; Y293-F306 HydrophobicContact CE1-CD1 4.05Å; Y293-F306 AromaticContact CE2-CD1 3.6Å; Y293-F306 HydrophobicContact CE2-CD1 3.6Å; Y293-F306 HydrophobicContact CE2-CE1 4.04Å; Y293-F306 HydrophobicContact CG-CD1 4.3Å; Y293-F306 AromaticContact CZ-CD1 3.66Å; V296-F306 HydrophobicContact CB-CE1 4.16Å; V296-F306 HydrophobicContact CB-CZ 4.49Å; V296-F306 HydrophobicContact CG1-CE1 3.91Å; V296-F306 HydrophobicContact CG1-CZ 3.84Å; S297-F306 VanDerWaalsContact CB-CG 3.47Å; F300-F306 HydrophobicContact CB-CE2 3.92Å; F300-F306 HydrophobicContact CB-CZ 4.38Å; F300-F306 HydrophobicContact CD2-CZ 4.32Å; I304-F306 HydrophobicContact CB-CE2 3.97Å; I304-F306 HydrophobicContact CG2-CD2 4.25Å; I304-F306 HydrophobicContact CG2-CE2 3.84Å; I304-F306 WeakPolarHBondContact O-CD2 3.34Å
307	I	98.1	Very high	94.3	Very high	4 Å²	4	47 Å²	47	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.6	-177.1	-57	179.3	0	0	0	108.8	I256 I266 H274 M275 L276 L277 Y293 L305 V309	I256-I307 CarbonylContact O-C 3.46Å; I256-I307 VanDerWaalsContact O-CA 3.3Å; I256-I307 WeakPolarHBondContact O-CA 3.28Å; I266-I307 HydrophobicContact CD1-CD1 4.3Å; I266-I307 HydrophobicContact CG2-CD1 3.86Å; H274-I307 HydrophobicContact CB-CD1 3.94Å; H274-I307 WeakPolarHBondContact ND1-CD1 3.43Å; M275-I307 PolarHBondContact O-N 3.41Å; L276-I307 WeakPolarHBondContact CA-O 3.39Å; L276-I307 HydrophobicContact CG-CB 4.24Å; L277-I307 PolarHBondContact N-O 3.34Å; Y293-I307 WeakPolarHBondContact CE1-O 3.5Å; Y293-I307 PolarHBondContact OH-N 3.44Å; Y293-I307 PolarHBondContact OH-O 3.3Å; L305-I307 HydrophobicContact CD2-CD1 4.33Å; L305-I307 HydrophobicContact CD2-CG1 4.4Å; L305-I307 HydrophobicContact CG-CG1 4.23Å; I307-V309 HydrophobicContact CG2-CG2 4.36Å
308	L	98	Very high	93.9	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.1	166.6	178.4	144.6	0	0	0	109.2	V255 I256 E257 Y258 L277 I279 K281 Y286 I290 N310	V255-L308 HydrophobicContact CG1-CB 3.99Å; I256-L308 PolarHBondContact O-N 3.42Å; E257-L308 HydrophobicContact CB-CD2 4.35Å; E257-L308 HydrophobicContact CG-CD2 3.8Å; Y258-L308 PolarHBondContact N-O 3.17Å; L277-L308 HydrophobicContact CD2-CD1 4.29Å; I279-L308 HydrophobicContact CG2-CD1 3.72Å; I279-L308 HydrophobicContact CG2-CG 4.09Å; K281-L308 HydrophobicContact CD-CD2 4.48Å; Y286-L308 HydrophobicContact CE2-CD1 3.79Å; I290-L308 HydrophobicContact CD1-CD1 3.76Å; L308-N310 HydrophobicContact CD2-CB 4.3Å
309	V	97.1	Very high	93.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.4	172.9	-178	0	0	0	0	107.8	L276 L277 F278 I279 I307 S311 N316 I319 F320	L276-V309 HydrophobicContact CD2-CG2 4.02Å; L277-V309 PolarHBondContact O-N 3.24Å; F278-V309 WeakPolarHBondContact CA-O 3.09Å; F278-V309 HydrophobicContact CD1-CB 3.66Å; F278-V309 HydrophobicContact CD1-CG1 3.75Å; F278-V309 HydrophobicContact CD1-CG2 4.1Å; F278-V309 HydrophobicContact CE1-CB 3.9Å; F278-V309 HydrophobicContact CE1-CG1 3.94Å; F278-V309 HydrophobicContact CE1-CG2 3.83Å; F278-V309 HydrophobicContact CG-CB 4.31Å; F278-V309 HydrophobicContact CZ-CG2 4.3Å; I279-V309 PolarHBondContact N-O 3.05Å; I279-V309 VanDerWaalsContact N-O 3.11Å; I307-V309 HydrophobicContact CG2-CG2 4.36Å; V309-S311 PolarHBondContact O-N 3.23Å; V309-N316 HydrophobicContact CG1-CB 4.16Å; V309-I319 HydrophobicContact CG1-CG2 3.56Å; V309-I319 HydrophobicContact CG2-CD1 4.26Å; V309-F320 HydrophobicContact CG1-CD2 4.29Å; V309-F320 HydrophobicContact CG1-CE2 3.58Å; V309-F320 HydrophobicContact CG1-CZ 4.06Å
310	N	95.3	Very high	93.5	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	126.1	175.4	-173.5	9.2	0	0	0	110	I279 K281 L308 D312 E313 N316	I279-N310 CarbonylContact O-C 3.5Å; I279-N310 WeakPolarHBondContact O-CA 3.41Å; I279-N310 PolarHBondContact O-OD1 3.1Å; K281-N310 HydrophobicContact CD-CB 4.06Å; K281-N310 HydrophobicContact CG-CB 4.33Å; K281-N310 PolarHBondContact N-OD1 2.88Å; L308-N310 HydrophobicContact CD2-CB 4.3Å; N310-D312 VanDerWaalsContact C-N 3.31Å; N310-D312 WeakPolarHBondContact OD1-CB 3.09Å; N310-D312 VanDerWaalsContact OD1-CG 3.25Å; N310-D312 PolarHBondContact OD1-N 2.99Å; N310-D312 PolarHBondContact OD1-OD2 3.4Å; N310-E313 HydrophobicContact CB-CB 4.34Å; N310-N316 PolarHBondContact O-ND2 3.27Å
311	S	94.1	Very high	93	Very high	42 Å²	42	53.3 Å²	53.3	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-21.3	172.4	58.3	0	0	0	0	113.4	I279 S280 V309 E313	I279-S311 PolarHBondContact O-N 3.36Å; I279-S311 PolarHBondContact O-OG 3.37Å; S280-S311 WeakPolarHBondContact CA-OG 3.48Å; S280-S311 VanDerWaalsContact CB-OG 3.29Å; S280-S311 WeakPolarHBondContact CB-OG 3.31Å; S280-S311 PolarHBondContact N-OG 2.94Å; S280-S311 VanDerWaalsContact N-OG 3.13Å; V309-S311 PolarHBondContact O-N 3.23Å; S311-E313 PolarHBondContact O-N 2.88Å
312	D	92.6	Very high	92.8	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.3	-176.2	-46.6	-26.5	0	0	0	112.2	S280 K281 N282 N310 P314	S280-D312 WeakPolarHBondContact CA-OD1 3.21Å; S280-D312 WeakPolarHBondContact CB-OD1 3.48Å; S280-D312 PolarHBondContact OG-OD1 2.85Å; S280-D312 PolarHBondContact OG-OD2 3.26Å; K281-D312 PolarHBondContact N-OD2 3.4Å; N282-D312 PolarHBondContact N-OD2 2.86Å; N310-D312 VanDerWaalsContact C-N 3.31Å; N310-D312 WeakPolarHBondContact OD1-CB 3.09Å; N310-D312 VanDerWaalsContact OD1-CG 3.25Å; N310-D312 PolarHBondContact OD1-N 2.99Å; N310-D312 PolarHBondContact OD1-OD2 3.4Å; D312-P314 WeakPolarHBondContact O-CD 3.24Å
313	E	91.6	Very high	92.7	Very high	26 Å²	26	51.7 Å²	51.7	12%	0.121	24%	0.24	C	C	.	.			trans	-103.7	106.4	-176.4	174	51.1	-106.6	0	0	110.8	K88 N310 S311 K315 N316	K88-E313 WeakPolarHBondContact CE-OE2 3.23Å; K88-E313 IonicContact NZ-OE2 2.74Å; K88-E313 PolarHBondContact NZ-OE2 3.36Å; N310-E313 HydrophobicContact CB-CB 4.34Å; S311-E313 PolarHBondContact O-N 2.88Å; E313-K315 HydrophobicContact CG-CB 4.14Å; E313-K315 PolarHBondContact O-N 2.95Å; E313-K315 VanDerWaalsContact O-N 3.11Å; E313-K315 VanDerWaalsContact OE1-CB 3.28Å; E313-K315 WeakPolarHBondContact OE1-CB 3.47Å; E313-K315 WeakPolarHBondContact OE1-CD 3.14Å; E313-K315 WeakPolarHBondContact OE1-CG 3.46Å; E313-K315 PolarHBondContact OE1-N 2.79Å; E313-N316 WeakPolarHBondContact O-CB 3.3Å; E313-N316 PolarHBondContact O-N 3.27Å
314	P	90.1	Very high	92.2	Very high	108 Å²	108	52.7 Å²	52.7	70%	0.701	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-59	-27.7	-176.2	-26.3	35.9	0	0	0	114.3	D312 N316 K317	D312-P314 WeakPolarHBondContact O-CD 3.24Å; P314-N316 PolarHBondContact O-N 3.21Å; P314-N316 VanDerWaalsContact O-N 3.13Å; P314-K317 WeakPolarHBondContact O-CB 3.1Å; P314-K317 PolarHBondContact O-N 2.94Å; P314-K317 VanDerWaalsContact O-N 3.14Å
315	K	90.1	Very high	91.7	Very high	110 Å²	110	53.3 Å²	53.3	48%	0.478	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-60	-21.7	175.1	-63.1	169.6	-165.4	178	0	112.6	E84 E313	E84-K315 IonicContact OE1-NZ 2.73Å; E84-K315 PolarHBondContact OE1-NZ 2.85Å; E313-K315 HydrophobicContact CG-CB 4.14Å; E313-K315 PolarHBondContact O-N 2.95Å; E313-K315 VanDerWaalsContact O-N 3.11Å; E313-K315 VanDerWaalsContact OE1-CB 3.28Å; E313-K315 WeakPolarHBondContact OE1-CB 3.47Å; E313-K315 WeakPolarHBondContact OE1-CD 3.14Å; E313-K315 WeakPolarHBondContact OE1-CG 3.46Å; E313-K315 PolarHBondContact OE1-N 2.79Å
316	N	91.8	Very high	91	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-81.3	-6.2	179.1	-70.3	-18.9	0	0	0	114.3	Y258 V309 N310 E313 P314 R318 I319 F320	Y258-N316 WeakPolarHBondContact CD1-OD1 3.47Å; Y258-N316 WeakPolarHBondContact CE1-OD1 3.18Å; V309-N316 HydrophobicContact CG1-CB 4.16Å; N310-N316 PolarHBondContact O-ND2 3.27Å; E313-N316 WeakPolarHBondContact O-CB 3.3Å; E313-N316 PolarHBondContact O-N 3.27Å; P314-N316 PolarHBondContact O-N 3.21Å; P314-N316 VanDerWaalsContact O-N 3.13Å; N316-R318 PolarHBondContact O-N 2.81Å; N316-I319 HydrophobicContact CB-CG2 3.98Å; N316-I319 WeakPolarHBondContact O-CG2 3.27Å; N316-I319 PolarHBondContact O-N 3.44Å; N316-F320 HydrophobicContact CB-CD2 4.25Å; N316-F320 HydrophobicContact CB-CE2 4.09Å; N316-F320 WeakPolarHBondContact O-CD2 3.44Å; N316-F320 PolarHBondContact O-N 3.2Å
317	K	89.3	Confident	90	Very high	137 Å²	137	60.8 Å²	60.8	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-46.7	-42.6	-176.5	-168.2	-179.2	-172.8	-103.4	0	113.9	P314 I319 F320 E321	P314-K317 WeakPolarHBondContact O-CB 3.1Å; P314-K317 PolarHBondContact O-N 2.94Å; P314-K317 VanDerWaalsContact O-N 3.14Å; K317-I319 VanDerWaalsContact C-N 3.34Å; K317-I319 PolarHBondContact O-N 2.68Å; K317-F320 WeakPolarHBondContact O-CB 3.45Å; K317-F320 PolarHBondContact O-N 3.48Å; K317-E321 WeakPolarHBondContact CE-OE1 3.49Å; K317-E321 HydrophobicContact CG-CG 4.49Å; K317-E321 IonicContact NZ-OE1 2.63Å; K317-E321 PolarHBondContact NZ-OE1 3.13Å; K317-E321 WeakPolarHBondContact O-CG 3.37Å; K317-E321 PolarHBondContact O-N 3.42Å
318	R	88.4	Confident	89.3	Confident	209 Å²	209	62.6 Å²	62.6	79%	0.789	30%	0.303	S	S	*	.	H	α-helix	trans	-63.1	-31	179.2	-68.2	-175.9	-179.7	177.9	0.7	114.6	N316 E321 Y322	N316-R318 PolarHBondContact O-N 2.81Å; R318-E321 WeakPolarHBondContact CA-OE2 3.38Å; R318-Y322 WeakPolarHBondContact O-CB 3.44Å; R318-Y322 PolarHBondContact O-N 3.48Å; R318-Y322 VanDerWaalsContact O-N 3.09Å
319	I	90.8	Very high	88.5	Confident	28 Å²	28	64.6 Å²	64.6	14%	0.144	31%	0.313	C	S	.	.	H	α-helix	trans	-78.3	-34.9	177.2	-164.8	161.9	0	0	0	110.9	Y258 L276 F278 V309 N316 K317 Y322 F323	Y258-I319 HydrophobicContact CD1-CD1 4.24Å; Y258-I319 HydrophobicContact CD1-CG2 4.32Å; Y258-I319 HydrophobicContact CE1-CD1 4.26Å; Y258-I319 HydrophobicContact CE1-CG2 4.24Å; Y258-I319 HydrophobicContact CG-CD1 4.43Å; L276-I319 HydrophobicContact CD2-CD1 3.91Å; F278-I319 HydrophobicContact CE1-CG1 4.48Å; V309-I319 HydrophobicContact CG1-CG2 3.56Å; V309-I319 HydrophobicContact CG2-CD1 4.26Å; N316-I319 HydrophobicContact CB-CG2 3.98Å; N316-I319 WeakPolarHBondContact O-CG2 3.27Å; N316-I319 PolarHBondContact O-N 3.44Å; K317-I319 VanDerWaalsContact C-N 3.34Å; K317-I319 PolarHBondContact O-N 2.68Å; I319-Y322 PolarHBondContact O-N 2.76Å; I319-F323 HydrophobicContact CD1-CD2 4.47Å; I319-F323 HydrophobicContact CD1-CE2 4.14Å; I319-F323 HydrophobicContact CG1-CD2 3.65Å; I319-F323 HydrophobicContact CG1-CE2 3.78Å; I319-F323 WeakPolarHBondContact O-CB 3.34Å; I319-F323 WeakPolarHBondContact O-CD2 3.49Å; I319-F323 PolarHBondContact O-N 3.41Å
320	F	89.6	Confident	88.2	Confident	27 Å²	27	66.3 Å²	66.3	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-43.9	169.6	-77.3	-92.4	0	0	0	111.9	F278 V309 N316 K317 F323 R324 I325 V330	F278-F320 HydrophobicContact CB-CE1 3.96Å; F278-F320 HydrophobicContact CB-CZ 4.19Å; F278-F320 HydrophobicContact CD1-CD1 4.1Å; F278-F320 AromaticContact CD1-CE1 3.72Å; F278-F320 HydrophobicContact CD1-CE1 3.72Å; F278-F320 HydrophobicContact CD1-CE2 4.26Å; F278-F320 AromaticContact CD1-CZ 3.79Å; F278-F320 HydrophobicContact CD1-CZ 3.79Å; F278-F320 HydrophobicContact CG-CE1 4.26Å; F278-F320 HydrophobicContact CG-CZ 4.49Å; V309-F320 HydrophobicContact CG1-CD2 4.29Å; V309-F320 HydrophobicContact CG1-CE2 3.58Å; V309-F320 HydrophobicContact CG1-CZ 4.06Å; N316-F320 HydrophobicContact CB-CD2 4.25Å; N316-F320 HydrophobicContact CB-CE2 4.09Å; N316-F320 WeakPolarHBondContact O-CD2 3.44Å; N316-F320 PolarHBondContact O-N 3.2Å; K317-F320 WeakPolarHBondContact O-CB 3.45Å; K317-F320 PolarHBondContact O-N 3.48Å; F320-F323 PolarHBondContact O-N 3.47Å; F320-R324 PolarHBondContact O-N 2.94Å; F320-I325 HydrophobicContact CD1-CB 3.93Å; F320-I325 HydrophobicContact CD1-CG2 3.68Å; F320-I325 HydrophobicContact CE1-CG2 3.93Å; F320-I325 PolarHBondContact O-N 2.63Å; F320-V330 HydrophobicContact CE1-CG2 3.94Å
321	E	86	Confident	88.2	Confident	101 Å²	101	68.4 Å²	68.4	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-49.5	175.2	-71.8	165.5	168.6	0	0	112	K317 R318 F323 R324	K317-E321 WeakPolarHBondContact CE-OE1 3.49Å; K317-E321 HydrophobicContact CG-CG 4.49Å; K317-E321 IonicContact NZ-OE1 2.63Å; K317-E321 PolarHBondContact NZ-OE1 3.13Å; K317-E321 WeakPolarHBondContact O-CG 3.37Å; K317-E321 PolarHBondContact O-N 3.42Å; R318-E321 WeakPolarHBondContact CA-OE2 3.38Å; E321-F323 PolarHBondContact O-N 3.25Å; E321-R324 PolarHBondContact O-N 2.94Å
322	Y	86.6	Confident	88.2	Confident	96 Å²	96	67.7 Å²	67.7	38%	0.376	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-37.7	179	165.4	-92.8	0	0	0	113.2	R318 I319 R324 L336 D341 R343	R318-Y322 WeakPolarHBondContact O-CB 3.44Å; R318-Y322 PolarHBondContact O-N 3.48Å; R318-Y322 VanDerWaalsContact O-N 3.09Å; I319-Y322 PolarHBondContact O-N 2.76Å; Y322-R324 VanDerWaalsContact C-N 3.3Å; Y322-L336 HydrophobicContact CE1-CD2 4.25Å; Y322-L336 WeakPolarHBondContact OH-CD1 3.26Å; Y322-D341 PolarHBondContact OH-OD1 3.34Å; Y322-R343 PolarHBondContact OH-NH1 2.9Å
323	F	88.1	Confident	88.4	Confident	5 Å²	5	65 Å²	65	2%	0.022	32%	0.318	C	S	.	.	H	α-helix	trans	-81.8	-4.5	175.5	-82.3	-83.3	0	0	0	114.6	L276 F278 I319 F320 E321 I325 Q334 L336 R343	L276-F323 HydrophobicContact CD1-CE1 3.91Å; L276-F323 HydrophobicContact CD1-CE2 4.25Å; L276-F323 HydrophobicContact CD1-CZ 3.47Å; L276-F323 VanDerWaalsContact CD1-CZ 3.47Å; L276-F323 HydrophobicContact CD2-CD2 4.36Å; L276-F323 HydrophobicContact CD2-CE2 3.56Å; L276-F323 HydrophobicContact CD2-CZ 3.68Å; L276-F323 HydrophobicContact CG-CZ 4.18Å; F278-F323 HydrophobicContact CE1-CB 4.36Å; F278-F323 HydrophobicContact CE1-CD2 4.22Å; F278-F323 HydrophobicContact CE1-CG 4.4Å; F278-F323 HydrophobicContact CE2-CD1 4.5Å; F278-F323 HydrophobicContact CE2-CG 4.32Å; F278-F323 HydrophobicContact CZ-CB 3.87Å; F278-F323 HydrophobicContact CZ-CD1 4.15Å; F278-F323 AromaticContact CZ-CD2 3.61Å; F278-F323 HydrophobicContact CZ-CD2 3.61Å; F278-F323 HydrophobicContact CZ-CE2 4.19Å; F278-F323 AromaticContact CZ-CG 3.6Å; F278-F323 HydrophobicContact CZ-CG 3.6Å; I319-F323 HydrophobicContact CD1-CD2 4.47Å; I319-F323 HydrophobicContact CD1-CE2 4.14Å; I319-F323 HydrophobicContact CG1-CD2 3.65Å; I319-F323 HydrophobicContact CG1-CE2 3.78Å; I319-F323 WeakPolarHBondContact O-CB 3.34Å; I319-F323 WeakPolarHBondContact O-CD2 3.49Å; I319-F323 PolarHBondContact O-N 3.41Å; F320-F323 PolarHBondContact O-N 3.47Å; E321-F323 PolarHBondContact O-N 3.25Å; F323-I325 HydrophobicContact CB-CD1 3.88Å; F323-I325 HydrophobicContact CB-CG1 4.03Å; F323-Q334 HydrophobicContact CD1-CB 4.24Å; F323-Q334 HydrophobicContact CE1-CB 4.41Å; F323-Q334 PolarHBondContact O-NE2 3.16Å; F323-L336 HydrophobicContact CE1-CB 3.99Å; F323-L336 HydrophobicContact CZ-CB 3.93Å; F323-L336 HydrophobicContact CZ-CD2 3.93Å; F323-L336 HydrophobicContact CZ-CG 4.43Å; F323-R343 HydrophobicContact CD1-CG 4.19Å; F323-R343 HydrophobicContact CE1-CG 4.1Å
324	R	85.3	Confident	88.6	Confident	134 Å²	134	64 Å²	64	51%	0.506	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	49.5	-177.1	-59.8	-180	171.9	-159.3	-14.4	112.5	F320 E321 Y322 D448	F320-R324 PolarHBondContact O-N 2.94Å; E321-R324 PolarHBondContact O-N 2.94Å; Y322-R324 VanDerWaalsContact C-N 3.3Å; R324-D448 WeakPolarHBondContact CD-OD2 3.4Å; R324-D448 IonicContact CZ-OD2 2.71Å; R324-D448 IonicContact NE-OD2 2.66Å; R324-D448 IonicContact NH1-OD2 3.29Å; R324-D448 PolarHBondContact NH1-OD2 3.37Å
325	I	85.8	Confident	89	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.067	28%	0.28	C	S	.	.			trans	-111.3	120.3	179	-63.2	176.9	0	0	0	108.4	F278 F320 F323 N329 V330 Q334	F278-I325 HydrophobicContact CB-CD1 4.22Å; F278-I325 HydrophobicContact CD1-CD1 3.74Å; F278-I325 HydrophobicContact CD2-CD1 3.19Å; F278-I325 HydrophobicContact CE1-CD1 3.83Å; F278-I325 HydrophobicContact CE2-CD1 3.29Å; F278-I325 HydrophobicContact CG-CD1 3.44Å; F278-I325 VanDerWaalsContact CG-CD1 3.44Å; F278-I325 HydrophobicContact CZ-CD1 3.62Å; F320-I325 HydrophobicContact CD1-CB 3.93Å; F320-I325 HydrophobicContact CD1-CG2 3.68Å; F320-I325 HydrophobicContact CE1-CG2 3.93Å; F320-I325 PolarHBondContact O-N 2.63Å; F323-I325 HydrophobicContact CB-CD1 3.88Å; F323-I325 HydrophobicContact CB-CG1 4.03Å; I325-N329 HydrophobicContact CG2-CB 3.92Å; I325-V330 HydrophobicContact CG2-CG2 4.35Å; I325-Q334 HydrophobicContact CD1-CG 4.42Å
326	S	83.3	Confident	89.2	Confident	32 Å²	32	54.3 Å²	54.3	22%	0.224	26%	0.262	C	S	.	.			trans	-94	172.8	170.8	74.6	0	0	0	0	111.1	V328 N329	S326-V328 VanDerWaalsContact C-N 3.29Å; S326-V328 PolarHBondContact O-N 2.72Å; S326-V328 WeakPolarHBondContact OG-CG2 3.08Å; S326-N329 PolarHBondContact N-OD1 3.04Å; S326-N329 VanDerWaalsContact N-OD1 3.13Å; S326-N329 WeakPolarHBondContact O-CA 3.36Å; S326-N329 WeakPolarHBondContact O-CB 3.5Å; S326-N329 PolarHBondContact O-N 3.07Å; S326-N329 PolarHBondContact OG-OD1 3.11Å
327	T	79.1	Confident	89.4	Confident	126 Å²	126	55.5 Å²	55.5	77%	0.773	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.2	-36.3	179.5	44.9	0	0	0	0	113.1	N329 V330	T327-N329 PolarHBondContact O-N 3.05Å; T327-V330 WeakPolarHBondContact O-CB 3.16Å; T327-V330 PolarHBondContact O-N 3.31Å; T327-V330 VanDerWaalsContact O-N 3.12Å
328	V	82.1	Confident	89.4	Confident	43 Å²	43	52.3 Å²	52.3	26%	0.261	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-72.5	-4	175.3	-62	0	0	0	0	113.8	S326 P454 Q456	S326-V328 VanDerWaalsContact C-N 3.29Å; S326-V328 PolarHBondContact O-N 2.72Å; S326-V328 WeakPolarHBondContact OG-CG2 3.08Å; V328-P454 WeakPolarHBondContact CG1-O 3.45Å; V328-P454 HydrophobicContact CG2-CB 4.26Å; V328-P454 HydrophobicContact CG2-CG 4.39Å; V328-P454 WeakPolarHBondContact CG2-O 3.31Å; V328-Q456 HydrophobicContact CB-CB 4.35Å
329	N	82	Confident	89.5	Confident	44 Å²	44	46.3 Å²	46.3	24%	0.235	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-102.7	17.9	171	-50.2	132.8	0	0	0	112	I325 S326 T327 P331 S332	I325-N329 HydrophobicContact CG2-CB 3.92Å; S326-N329 PolarHBondContact N-OD1 3.04Å; S326-N329 VanDerWaalsContact N-OD1 3.13Å; S326-N329 WeakPolarHBondContact O-CA 3.36Å; S326-N329 WeakPolarHBondContact O-CB 3.5Å; S326-N329 PolarHBondContact O-N 3.07Å; S326-N329 PolarHBondContact OG-OD1 3.11Å; T327-N329 PolarHBondContact O-N 3.05Å; N329-P331 CarbonylContact O-C 3.52Å; N329-S332 WeakPolarHBondContact O-CB 3.27Å; N329-S332 PolarHBondContact O-OG 3.3Å
330	V	90.6	Very high	89.5	Confident	37 Å²	37	47.9 Å²	47.9	22%	0.224	26%	0.261	C	S	.	.			trans	-108.9	127.9	175.9	-175.3	0	0	0	0	109.3	F320 I325 T327	F320-V330 HydrophobicContact CE1-CG2 3.94Å; I325-V330 HydrophobicContact CG2-CG2 4.35Å; T327-V330 WeakPolarHBondContact O-CB 3.16Å; T327-V330 PolarHBondContact O-N 3.31Å; T327-V330 VanDerWaalsContact O-N 3.12Å
331	P	94.8	Very high	89.4	Confident	53 Å²	53	50.4 Å²	50.4	34%	0.344	28%	0.275	S	S	.	.	S	Bend	cis	-80.3	151.5	-0.4	35	-36.2	0	0	0	113.2	F278 I279 I289 N329 I351	F278-P331 CarbonylContact O-C 3.46Å; F278-P331 WeakPolarHBondContact O-CA 3.37Å; I279-P331 HydrophobicContact CB-CB 4.22Å; I279-P331 HydrophobicContact CD1-CB 3.89Å; I279-P331 HydrophobicContact CG1-CB 3.97Å; I289-P331 HydrophobicContact CD1-CB 4.4Å; I289-P331 HydrophobicContact CD1-CG 4.03Å; N329-P331 CarbonylContact O-C 3.52Å; P331-I351 HydrophobicContact CB-CD1 3.73Å; P331-I351 HydrophobicContact CG-CD1 3.97Å
332	S	93.8	Very high	89.5	Confident	27 Å²	27	45.6 Å²	45.6	19%	0.189	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	166.2	170.5	59.7	0	0	0	0	113.1	F278 N329	F278-S332 PolarHBondContact N-O 3.48Å; F278-S332 PolarHBondContact O-N 2.61Å; N329-S332 WeakPolarHBondContact O-CB 3.27Å; N329-S332 PolarHBondContact O-OG 3.3Å
333	V	97.3	Very high	89.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.1	-178.1	-173.4	0	0	0	0	110.8	M275 L276 L277 M346 I351 L356 F359	M275-V333 HydrophobicContact CE-CG1 4.2Å; M275-V333 HydrophobicContact CG-CG1 3.57Å; M275-V333 HydrophobicContact SD-CG1 3.69Å; L276-V333 WeakPolarHBondContact O-CA 3.45Å; L277-V333 HydrophobicContact CD1-CG2 3.94Å; V333-M346 HydrophobicContact CB-CB 4.09Å; V333-M346 HydrophobicContact CB-CE 4.21Å; V333-M346 HydrophobicContact CB-SD 4.23Å; V333-M346 HydrophobicContact CG2-CE 4.02Å; V333-M346 HydrophobicContact CG2-SD 4.42Å; V333-M346 PolarHBondContact O-N 3.14Å; V333-I351 HydrophobicContact CG2-CD1 4.03Å; V333-I351 HydrophobicContact CG2-CG1 4.38Å; V333-I351 HydrophobicContact CG2-CG2 3.8Å; V333-L356 HydrophobicContact CG1-CD2 4.11Å; V333-L356 HydrophobicContact CG2-CD2 4.02Å; V333-F359 HydrophobicContact CG1-CD1 4.39Å; V333-F359 HydrophobicContact CG1-CE1 4.2Å
334	Q	96.1	Very high	90.1	Very high	5 Å²	5	45 Å²	45	2%	0.023	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.6	169.2	-61.4	-161.1	36.6	0	0	111.5	M275 L276 F323 I325 Y344 K345	M275-Q334 CarbonylContact C-O 3.45Å; M275-Q334 WeakPolarHBondContact CA-O 3.47Å; L276-Q334 PolarHBondContact N-O 3.42Å; L276-Q334 PolarHBondContact O-N 3.23Å; F323-Q334 HydrophobicContact CD1-CB 4.24Å; F323-Q334 HydrophobicContact CE1-CB 4.41Å; F323-Q334 PolarHBondContact O-NE2 3.16Å; I325-Q334 HydrophobicContact CD1-CG 4.42Å; Q334-Y344 CarbonylContact C-O 3.52Å; Q334-Y344 WeakPolarHBondContact CA-O 3.38Å; Q334-Y344 WeakPolarHBondContact CB-O 3.36Å; Q334-K345 HydrophobicContact CG-CG 4.09Å
335	I	97.5	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.3	163.4	-61.3	167.4	0	0	0	108.7	H274 M275 R343 Y344 F359 F363	H274-I335 CarbonylContact O-C 3.58Å; H274-I335 VanDerWaalsContact O-CA 3.29Å; H274-I335 WeakPolarHBondContact O-CA 3.26Å; M275-I335 HydrophobicContact CB-CG1 4.14Å; M275-I335 HydrophobicContact CE-CD1 3.58Å; M275-I335 HydrophobicContact CE-CG1 3.6Å; M275-I335 HydrophobicContact CG-CG1 4.16Å; I335-R343 CarbonylContact O-C 3.59Å; I335-R343 WeakPolarHBondContact O-CA 3.4Å; I335-Y344 PolarHBondContact N-O 2.83Å; I335-Y344 PolarHBondContact O-N 3.21Å; I335-F359 HydrophobicContact CB-CZ 4.34Å; I335-F359 HydrophobicContact CD1-CD1 4.04Å; I335-F359 HydrophobicContact CD1-CD2 4.39Å; I335-F359 HydrophobicContact CD1-CE1 3.72Å; I335-F359 HydrophobicContact CD1-CE2 4.1Å; I335-F359 HydrophobicContact CD1-CG 4.35Å; I335-F359 HydrophobicContact CD1-CZ 3.75Å; I335-F359 HydrophobicContact CG1-CD1 4.35Å; I335-F359 HydrophobicContact CG1-CE1 3.66Å; I335-F359 HydrophobicContact CG1-CZ 3.83Å; I335-F363 HydrophobicContact CB-CD2 4.3Å; I335-F363 HydrophobicContact CB-CE2 4.48Å; I335-F363 HydrophobicContact CD1-CB 3.56Å; I335-F363 HydrophobicContact CD1-CD1 4.12Å; I335-F363 HydrophobicContact CD1-CD2 4.14Å; I335-F363 HydrophobicContact CD1-CG 3.67Å; I335-F363 HydrophobicContact CG2-CD1 4.11Å; I335-F363 HydrophobicContact CG2-CD2 3.76Å; I335-F363 HydrophobicContact CG2-CE1 3.95Å; I335-F363 HydrophobicContact CG2-CE2 3.57Å; I335-F363 HydrophobicContact CG2-CG 4.03Å; I335-F363 HydrophobicContact CG2-CZ 3.67Å
336	L	95.9	Very high	90.8	Very high	16 Å²	16	40.8 Å²	40.8	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.7	168.5	177.7	66.8	0	0	0	109.7	N273 H274 L276 Y322 F323 L338 A342 R343	N273-L336 WeakPolarHBondContact CA-O 3.3Å; H274-L336 PolarHBondContact N-O 3.09Å; H274-L336 PolarHBondContact O-N 3.45Å; L276-L336 HydrophobicContact CD1-CB 4.26Å; Y322-L336 HydrophobicContact CE1-CD2 4.25Å; Y322-L336 WeakPolarHBondContact OH-CD1 3.26Å; F323-L336 HydrophobicContact CE1-CB 3.99Å; F323-L336 HydrophobicContact CZ-CB 3.93Å; F323-L336 HydrophobicContact CZ-CD2 3.93Å; F323-L336 HydrophobicContact CZ-CG 4.43Å; L336-L338 HydrophobicContact CD2-CD1 4.09Å; L336-L338 HydrophobicContact CD2-CG 4.46Å; L336-L338 HydrophobicContact CG-CD1 4.17Å; L336-A342 WeakPolarHBondContact CA-O 3.2Å; L336-R343 HydrophobicContact CD1-CG 3.94Å
337	N	94.3	Very high	91.1	Very high	29 Å²	29	42.4 Å²	42.4	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.8	160.8	174.3	-98.1	0	0	0	109.9	L272 N273 S339 S340 D341 A342 F363	L272-N337 WeakPolarHBondContact O-CA 3.26Å; L272-N337 PolarHBondContact O-ND2 3Å; N273-N337 PolarHBondContact OD1-ND2 2.89Å; N337-S339 VanDerWaalsContact C-N 3.3Å; N337-S339 PolarHBondContact O-N 3.29Å; N337-S339 PolarHBondContact OD1-N 3.01Å; N337-S340 PolarHBondContact O-N 3.18Å; N337-S340 PolarHBondContact OD1-N 3.01Å; N337-S340 PolarHBondContact OD1-OG 3.14Å; N337-D341 PolarHBondContact O-N 3.05Å; N337-A342 HydrophobicContact CB-CB 4.31Å; N337-A342 PolarHBondContact N-O 3.14Å; N337-A342 PolarHBondContact O-N 3.25Å; N337-F363 HydrophobicContact CB-CZ 4.28Å
338	L	90.6	Very high	91.7	Very high	70 Å²	70	37.9 Å²	37.9	37%	0.366	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-65.6	-32.5	-173	-80.9	69.3	0	0	0	112.3	L272 H274 L336 S340	L272-L338 PolarHBondContact O-N 3.37Å; H274-L338 HydrophobicContact CB-CD1 4.29Å; L336-L338 HydrophobicContact CD2-CD1 4.09Å; L336-L338 HydrophobicContact CD2-CG 4.46Å; L336-L338 HydrophobicContact CG-CD1 4.17Å; L338-S340 PolarHBondContact O-N 2.96Å
339	S	90.4	Very high	91.9	Very high	82 Å²	82	38.9 Å²	38.9	57%	0.573	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-71.3	-11.8	-178.5	-49.2	0	0	0	0	114.8	N337	N337-S339 VanDerWaalsContact C-N 3.3Å; N337-S339 PolarHBondContact O-N 3.29Å; N337-S339 PolarHBondContact OD1-N 3.01Å
340	S	90	Very high	92.3	Very high	62 Å²	62	41.9 Å²	41.9	43%	0.434	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-142.6	12.9	-172.9	64.3	0	0	0	0	114.8	N337 L338 A342 K370	N337-S340 PolarHBondContact O-N 3.18Å; N337-S340 PolarHBondContact OD1-N 3.01Å; N337-S340 PolarHBondContact OD1-OG 3.14Å; L338-S340 PolarHBondContact O-N 2.96Å; S340-A342 PolarHBondContact O-N 3.38Å; S340-A342 VanDerWaalsContact OG-CB 3.24Å; S340-A342 WeakPolarHBondContact OG-CB 3.48Å; S340-K370 PolarHBondContact O-NZ 3.12Å
341	D	87.6	Confident	92.6	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	25.7	-170.7	-162.8	61.9	0	0	0	113.2	Y322 N337 R343	Y322-D341 PolarHBondContact OH-OD1 3.34Å; N337-D341 PolarHBondContact O-N 3.05Å; D341-R343 VanDerWaalsContact CG-NH1 3.28Å; D341-R343 PolarHBondContact O-N 3.2Å; D341-R343 PolarHBondContact O-NH1 3.32Å; D341-R343 IonicContact OD1-NH1 3.99Å; D341-R343 PolarHBondContact OD1-NH1 3.04Å; D341-R343 IonicContact OD2-CZ 2.81Å; D341-R343 IonicContact OD2-NH1 3.89Å; D341-R343 PolarHBondContact OD2-NH1 3.13Å; D341-R343 IonicContact OD2-NH2 2.69Å; D341-R343 PolarHBondContact OD2-NH2 3.33Å
342	A	89.1	Confident	92.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105	-168.5	0	0	0	0	0	110.5	L336 N337 S340 Y344 K370	L336-A342 WeakPolarHBondContact CA-O 3.2Å; N337-A342 HydrophobicContact CB-CB 4.31Å; N337-A342 PolarHBondContact N-O 3.14Å; N337-A342 PolarHBondContact O-N 3.25Å; S340-A342 PolarHBondContact O-N 3.38Å; S340-A342 VanDerWaalsContact OG-CB 3.24Å; S340-A342 WeakPolarHBondContact OG-CB 3.48Å; A342-Y344 HydrophobicContact CB-CE2 3.59Å; A342-Y344 WeakPolarHBondContact O-CD2 3.46Å; A342-Y344 WeakPolarHBondContact O-CE2 3.39Å; A342-K370 HydrophobicContact CB-CD 3.83Å; A342-K370 HydrophobicContact CB-CG 4.45Å
343	R	92.3	Very high	92.7	Very high	47 Å²	47	40.4 Å²	40.4	18%	0.177	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	145.4	170.1	-70.4	174.7	-72.1	-70.5	-6.2	111.2	Y322 F323 I335 L336 D341 H371	Y322-R343 PolarHBondContact OH-NH1 2.9Å; F323-R343 HydrophobicContact CD1-CG 4.19Å; F323-R343 HydrophobicContact CE1-CG 4.1Å; I335-R343 CarbonylContact O-C 3.59Å; I335-R343 WeakPolarHBondContact O-CA 3.4Å; L336-R343 HydrophobicContact CD1-CG 3.94Å; D341-R343 VanDerWaalsContact CG-NH1 3.28Å; D341-R343 PolarHBondContact O-N 3.2Å; D341-R343 PolarHBondContact O-NH1 3.32Å; D341-R343 IonicContact OD1-NH1 3.99Å; D341-R343 PolarHBondContact OD1-NH1 3.04Å; D341-R343 IonicContact OD2-CZ 2.81Å; D341-R343 IonicContact OD2-NH1 3.89Å; D341-R343 PolarHBondContact OD2-NH1 3.13Å; D341-R343 IonicContact OD2-NH2 2.69Å; D341-R343 PolarHBondContact OD2-NH2 3.33Å; R343-H371 HydrophobicContact CB-CB 4.24Å; R343-H371 VanDerWaalsContact O-CB 3.31Å; R343-H371 WeakPolarHBondContact O-CB 3.35Å; R343-H371 PolarHBondContact O-N 2.66Å
344	Y	93.6	Very high	92.7	Very high	42 Å²	42	45.4 Å²	45.4	17%	0.165	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.6	175.7	-60.7	-103	0	0	0	107.5	Q334 I335 A342 F363 A368 K369 K370	Q334-Y344 CarbonylContact C-O 3.52Å; Q334-Y344 WeakPolarHBondContact CA-O 3.38Å; Q334-Y344 WeakPolarHBondContact CB-O 3.36Å; I335-Y344 PolarHBondContact N-O 2.83Å; I335-Y344 PolarHBondContact O-N 3.21Å; A342-Y344 HydrophobicContact CB-CE2 3.59Å; A342-Y344 WeakPolarHBondContact O-CD2 3.46Å; A342-Y344 WeakPolarHBondContact O-CE2 3.39Å; Y344-F363 HydrophobicContact CD1-CD2 4.38Å; Y344-F363 AromaticContact CD2-CD2 3.87Å; Y344-F363 HydrophobicContact CD2-CD2 3.87Å; Y344-F363 AromaticContact CD2-CE2 3.75Å; Y344-F363 HydrophobicContact CD2-CE2 3.75Å; Y344-F363 HydrophobicContact CE1-CD2 4.46Å; Y344-F363 AromaticContact CE2-CD2 3.99Å; Y344-F363 HydrophobicContact CE2-CD2 3.99Å; Y344-F363 AromaticContact CE2-CE2 3.6Å; Y344-F363 HydrophobicContact CE2-CE2 3.6Å; Y344-F363 HydrophobicContact CG-CD2 4.11Å; Y344-F363 HydrophobicContact CG-CE2 4.45Å; Y344-A368 HydrophobicContact CD1-CB 3.78Å; Y344-A368 HydrophobicContact CE1-CB 4.27Å; Y344-A368 WeakPolarHBondContact CE1-O 3.37Å; Y344-K369 WeakPolarHBondContact CD1-O 3.13Å; Y344-K370 HydrophobicContact CD1-CB 4.29Å; Y344-K370 VanDerWaalsContact CE1-CA 3.49Å; Y344-K370 HydrophobicContact CE1-CB 3.72Å
345	K	92.3	Very high	92.8	Very high	49 Å²	49	47 Å²	47	21%	0.213	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.4	175.6	-62.8	178.7	-174.7	173.4	0	109.9	Q334 H371 T445 D448	Q334-K345 HydrophobicContact CG-CG 4.09Å; K345-H371 VanDerWaalsContact CE-CE1 3.48Å; K345-H371 WeakPolarHBondContact CE-CE1 3.46Å; K345-H371 PolarHBondContact NZ-CE1 3.46Å; K345-H371 PolarHBondContact NZ-NE2 2.78Å; K345-T445 VanDerWaalsContact CD-O 3.31Å; K345-T445 WeakPolarHBondContact CD-O 3.44Å; K345-T445 WeakPolarHBondContact CE-O 3.32Å; K345-T445 PolarHBondContact NZ-O 2.83Å; K345-D448 IonicContact NZ-OD1 3.3Å
346	M	94.2	Very high	92.8	Very high	10 Å²	10	47 Å²	47	5%	0.049	26%	0.255	C	S	.	.			trans	-68.6	129.2	174.7	-170.1	166.9	73.3	0	0	110.2	V333 T348 I351 L356 F359	V333-M346 HydrophobicContact CB-CB 4.09Å; V333-M346 HydrophobicContact CB-CE 4.21Å; V333-M346 HydrophobicContact CB-SD 4.23Å; V333-M346 HydrophobicContact CG2-CE 4.02Å; V333-M346 HydrophobicContact CG2-SD 4.42Å; V333-M346 PolarHBondContact O-N 3.14Å; M346-T348 HydrophobicContact CE-CG2 4.21Å; M346-T348 HydrophobicContact CG-CG2 3.96Å; M346-T348 PolarHBondContact O-N 2.92Å; M346-T348 VanDerWaalsContact O-N 3.08Å; M346-T348 HydrophobicContact SD-CG2 4.36Å; M346-I351 HydrophobicContact CE-CB 4.28Å; M346-I351 HydrophobicContact CE-CG1 3.89Å; M346-I351 HydrophobicContact CE-CG2 4.25Å; M346-L356 HydrophobicContact SD-CD2 4.09Å; M346-L356 HydrophobicContact SD-CG 4.49Å; M346-F359 HydrophobicContact CB-CD1 3.62Å; M346-F359 HydrophobicContact CB-CE1 3.66Å; M346-F359 HydrophobicContact CB-CG 4.16Å; M346-F359 HydrophobicContact CB-CZ 4.22Å; M346-F359 HydrophobicContact CG-CB 4.05Å; M346-F359 HydrophobicContact CG-CD1 3.64Å; M346-F359 HydrophobicContact CG-CE1 4.22Å; M346-F359 HydrophobicContact CG-CG 3.85Å; M346-F359 HydrophobicContact SD-CB 4.29Å; M346-F359 HydrophobicContact SD-CD1 4Å; M346-F359 HydrophobicContact SD-CG 4.45Å
347	P	90.7	Very high	92.9	Very high	66 Å²	66	48.1 Å²	48.1	43%	0.429	26%	0.259	S	S	.	.	S	Bend	trans	-88.5	44.5	-172.3	37	-37.9	0	0	0	113.1	W413	P347-W413 HydrophobicContact CB-CD2 4.5Å; P347-W413 HydrophobicContact CB-CE3 3.91Å; P347-W413 HydrophobicContact CB-CZ3 3.94Å
348	T	90.3	Very high	93.1	Very high	31 Å²	31	52.6 Å²	52.6	19%	0.19	28%	0.278	C	S	.	.			trans	-168.4	147.2	178	172.3	0	0	0	0	109.5	M346 D350 N355	M346-T348 HydrophobicContact CE-CG2 4.21Å; M346-T348 HydrophobicContact CG-CG2 3.96Å; M346-T348 PolarHBondContact O-N 2.92Å; M346-T348 VanDerWaalsContact O-N 3.08Å; M346-T348 HydrophobicContact SD-CG2 4.36Å; T348-D350 PolarHBondContact OG1-N 2.99Å; T348-N355 HydrophobicContact CG2-CB 3.78Å
349	D	86.4	Confident	93.4	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.342	26%	0.261	S	S	.	.	S	Bend	trans	-82.3	-23.4	-179	-51.6	-28	0	0	0	111.3	I351 W413 S414 Y457	D349-I351 PolarHBondContact O-N 2.89Å; D349-W413 PolarHBondContact OD1-NE1 3.24Å; D349-S414 PolarHBondContact OD2-OG 3.08Å; D349-Y457 PolarHBondContact OD1-OH 3.17Å
350	D	91.4	Very high	93.8	Very high	107 Å²	107	45.6 Å²	45.6	57%	0.572	23%	0.234	S	C	*	.			trans	-84.3	99.5	-174.1	-57.7	-57.9	0	0	0	111.5	T348 T352 N355	T348-D350 PolarHBondContact OG1-N 2.99Å; D350-T352 HydrophobicContact CB-CG2 4.25Å; D350-T352 PolarHBondContact O-N 2.76Å; D350-N355 WeakPolarHBondContact O-CB 3.27Å; D350-N355 PolarHBondContact O-ND2 3.34Å
351	I	95.6	Very high	94.1	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.056	23%	0.234	C	C	.	.			trans	-79.2	65.7	-177.3	-42.7	-179.6	0	0	0	111.6	L277 I289 P331 V333 M346 D349 L356	L277-I351 HydrophobicContact CD1-CD1 4Å; L277-I351 HydrophobicContact CD1-CG2 4.49Å; I289-I351 HydrophobicContact CD1-CB 4.43Å; I289-I351 HydrophobicContact CD1-CD1 4.32Å; I289-I351 HydrophobicContact CG1-CB 4.27Å; I289-I351 HydrophobicContact CG2-CB 4.02Å; I289-I351 HydrophobicContact CG2-CD1 4.4Å; I289-I351 HydrophobicContact CG2-CG2 3.7Å; P331-I351 HydrophobicContact CB-CD1 3.73Å; P331-I351 HydrophobicContact CG-CD1 3.97Å; V333-I351 HydrophobicContact CG2-CD1 4.03Å; V333-I351 HydrophobicContact CG2-CG1 4.38Å; V333-I351 HydrophobicContact CG2-CG2 3.8Å; M346-I351 HydrophobicContact CE-CB 4.28Å; M346-I351 HydrophobicContact CE-CG1 3.89Å; M346-I351 HydrophobicContact CE-CG2 4.25Å; D349-I351 PolarHBondContact O-N 2.89Å; I351-L356 HydrophobicContact CG2-CD1 4.02Å; I351-L356 HydrophobicContact CG2-CD2 3.99Å; I351-L356 HydrophobicContact CG2-CG 4.04Å
352	T	96.1	Very high	94.6	Very high	52 Å²	52	45.9 Å²	45.9	32%	0.319	23%	0.228	S	C	.	.			trans	-97.4	163.6	178.6	67.7	0	0	0	0	112.3	D350 E354 N355 L356	D350-T352 HydrophobicContact CB-CG2 4.25Å; D350-T352 PolarHBondContact O-N 2.76Å; T352-E354 PolarHBondContact O-N 3.18Å; T352-N355 PolarHBondContact O-N 3.32Å; T352-N355 WeakPolarHBondContact OG1-CB 3.34Å; T352-N355 PolarHBondContact OG1-N 3.28Å; T352-N355 PolarHBondContact OG1-ND2 3.3Å; T352-L356 WeakPolarHBondContact O-CB 3.22Å; T352-L356 WeakPolarHBondContact O-CD1 3.27Å; T352-L356 VanDerWaalsContact O-CG 3.31Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 2.82Å
353	F	96.3	Very high	94.9	Very high	23 Å²	23	46.8 Å²	46.8	10%	0.101	23%	0.231	C	C	.	.	H	α-helix	trans	-53.2	-49.4	176.4	172	-96.2	0	0	0	112.5	L28 H292 M295 V296 K357	L28-F353 HydrophobicContact CD1-CD1 4.28Å; H292-F353 HydrophobicContact CB-CB 4.33Å; H292-F353 PolarHBondContact ND1-N 3.31Å; M295-F353 HydrophobicContact CB-CD2 3.58Å; M295-F353 HydrophobicContact CB-CE2 3.85Å; V296-F353 HydrophobicContact CB-CD2 4.44Å; V296-F353 HydrophobicContact CG2-CB 4.34Å; V296-F353 HydrophobicContact CG2-CD2 3.3Å; V296-F353 HydrophobicContact CG2-CE2 3.77Å; V296-F353 HydrophobicContact CG2-CG 3.98Å; V296-F353 VanDerWaalsContact CG2-O 3.31Å; V296-F353 WeakPolarHBondContact CG2-O 3.35Å; F353-K357 HydrophobicContact CD1-CD 4.49Å; F353-K357 HydrophobicContact CE1-CD 3.77Å; F353-K357 HydrophobicContact CZ-CD 3.9Å; F353-K357 WeakPolarHBondContact O-CB 3.44Å; F353-K357 PolarHBondContact O-N 3.38Å
354	E	96.9	Very high	95.1	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-69.8	-36.8	-177.5	-63.7	-58.4	160.1	0	0	112.6	T352 K357 K358	T352-E354 PolarHBondContact O-N 3.18Å; E354-K357 PolarHBondContact O-N 2.95Å; E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 PolarHBondContact O-N 3.03Å
355	N	97.1	Very high	95.2	Very high	38 Å²	38	49.1 Å²	49.1	20%	0.203	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-45.4	177.2	-76.8	-20.1	0	0	0	112.2	T348 D350 T352 K358 F359	T348-N355 HydrophobicContact CG2-CB 3.78Å; D350-N355 WeakPolarHBondContact O-CB 3.27Å; D350-N355 PolarHBondContact O-ND2 3.34Å; T352-N355 PolarHBondContact O-N 3.32Å; T352-N355 WeakPolarHBondContact OG1-CB 3.34Å; T352-N355 PolarHBondContact OG1-N 3.28Å; T352-N355 PolarHBondContact OG1-ND2 3.3Å; N355-K358 PolarHBondContact O-N 3.09Å; N355-F359 WeakPolarHBondContact O-CB 3.17Å; N355-F359 PolarHBondContact O-N 3.39Å
356	L	98.1	Very high	95.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-46.4	173	-77.2	168.2	0	0	0	111.8	M275 H292 Y293 V296 V333 M346 I351 T352 F359 C360	M275-L356 HydrophobicContact SD-CD2 3.95Å; H292-L356 HydrophobicContact CB-CD1 4.28Å; Y293-L356 HydrophobicContact CD2-CD1 3.92Å; Y293-L356 HydrophobicContact CD2-CD2 3.85Å; Y293-L356 HydrophobicContact CE2-CD2 4.1Å; V296-L356 HydrophobicContact CB-CB 4.3Å; V296-L356 HydrophobicContact CG1-CB 4.21Å; V296-L356 HydrophobicContact CG2-CB 3.78Å; V296-L356 HydrophobicContact CG2-CD1 4.26Å; V333-L356 HydrophobicContact CG1-CD2 4.11Å; V333-L356 HydrophobicContact CG2-CD2 4.02Å; M346-L356 HydrophobicContact SD-CD2 4.09Å; M346-L356 HydrophobicContact SD-CG 4.49Å; I351-L356 HydrophobicContact CG2-CD1 4.02Å; I351-L356 HydrophobicContact CG2-CD2 3.99Å; I351-L356 HydrophobicContact CG2-CG 4.04Å; T352-L356 WeakPolarHBondContact O-CB 3.22Å; T352-L356 WeakPolarHBondContact O-CD1 3.27Å; T352-L356 VanDerWaalsContact O-CG 3.31Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 2.82Å; L356-F359 PolarHBondContact O-N 3.42Å; L356-C360 PolarHBondContact O-N 2.87Å; L356-C360 PolarHBondContact O-SG 3.32Å
357	K	97.9	Very high	95.2	Very high	39 Å²	39	60.1 Å²	60.1	17%	0.17	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-47.3	178.6	175.5	170.5	175.8	160.9	0	112.3	V296 E299 F300 F353 E354 F359 C360 Q361	V296-K357 HydrophobicContact CG1-CB 4.36Å; V296-K357 HydrophobicContact CG2-CB 4.36Å; E299-K357 VanDerWaalsContact CD-NZ 3.3Å; E299-K357 IonicContact OE1-NZ 2.71Å; E299-K357 PolarHBondContact OE1-NZ 3.01Å; E299-K357 VanDerWaalsContact OE2-CD 3.26Å; E299-K357 WeakPolarHBondContact OE2-CD 3.49Å; E299-K357 WeakPolarHBondContact OE2-CE 3.29Å; E299-K357 IonicContact OE2-NZ 3.44Å; E299-K357 PolarHBondContact OE2-NZ 2.83Å; F300-K357 HydrophobicContact CE2-CG 4.35Å; F300-K357 HydrophobicContact CZ-CG 4.43Å; F353-K357 HydrophobicContact CD1-CD 4.49Å; F353-K357 HydrophobicContact CE1-CD 3.77Å; F353-K357 HydrophobicContact CZ-CD 3.9Å; F353-K357 WeakPolarHBondContact O-CB 3.44Å; F353-K357 PolarHBondContact O-N 3.38Å; E354-K357 PolarHBondContact O-N 2.95Å; K357-F359 VanDerWaalsContact C-N 3.32Å; K357-F359 PolarHBondContact O-N 3.29Å; K357-C360 WeakPolarHBondContact O-CB 3.08Å; K357-C360 PolarHBondContact O-N 3.41Å; K357-Q361 VanDerWaalsContact O-CG 3.3Å; K357-Q361 WeakPolarHBondContact O-CG 3.46Å; K357-Q361 PolarHBondContact O-N 3.34Å
358	K	97.7	Very high	95.3	Very high	124 Å²	124	57.9 Å²	57.9	54%	0.539	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-39.8	173.7	-177.9	178.4	179.8	-179	0	111.8	E354 N355 Q361 N362	E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 PolarHBondContact O-N 3.03Å; N355-K358 PolarHBondContact O-N 3.09Å; K358-Q361 PolarHBondContact O-N 3.23Å; K358-N362 WeakPolarHBondContact O-CB 3.11Å; K358-N362 PolarHBondContact O-N 3.38Å
359	F	97.7	Very high	95.1	Very high	5 Å²	5	62.4 Å²	62.4	2%	0.022	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-43.5	175.9	-178.1	-142.4	0	0	0	112.1	M275 V333 I335 M346 N355 L356 K357 Q361 N362 F363	M275-F359 HydrophobicContact CE-CD1 3.53Å; M275-F359 HydrophobicContact CE-CE1 3.94Å; M275-F359 HydrophobicContact CE-CG 4.38Å; V333-F359 HydrophobicContact CG1-CD1 4.39Å; V333-F359 HydrophobicContact CG1-CE1 4.2Å; I335-F359 HydrophobicContact CB-CZ 4.34Å; I335-F359 HydrophobicContact CD1-CD1 4.04Å; I335-F359 HydrophobicContact CD1-CD2 4.39Å; I335-F359 HydrophobicContact CD1-CE1 3.72Å; I335-F359 HydrophobicContact CD1-CE2 4.1Å; I335-F359 HydrophobicContact CD1-CG 4.35Å; I335-F359 HydrophobicContact CD1-CZ 3.75Å; I335-F359 HydrophobicContact CG1-CD1 4.35Å; I335-F359 HydrophobicContact CG1-CE1 3.66Å; I335-F359 HydrophobicContact CG1-CZ 3.83Å; M346-F359 HydrophobicContact CB-CD1 3.62Å; M346-F359 HydrophobicContact CB-CE1 3.66Å; M346-F359 HydrophobicContact CB-CG 4.16Å; M346-F359 HydrophobicContact CB-CZ 4.22Å; M346-F359 HydrophobicContact CG-CB 4.05Å; M346-F359 HydrophobicContact CG-CD1 3.64Å; M346-F359 HydrophobicContact CG-CE1 4.22Å; M346-F359 HydrophobicContact CG-CG 3.85Å; M346-F359 HydrophobicContact SD-CB 4.29Å; M346-F359 HydrophobicContact SD-CD1 4Å; M346-F359 HydrophobicContact SD-CG 4.45Å; N355-F359 WeakPolarHBondContact O-CB 3.17Å; N355-F359 PolarHBondContact O-N 3.39Å; L356-F359 PolarHBondContact O-N 3.42Å; K357-F359 VanDerWaalsContact C-N 3.32Å; K357-F359 PolarHBondContact O-N 3.29Å; F359-Q361 PolarHBondContact O-N 3.39Å; F359-N362 PolarHBondContact O-N 3.49Å; F359-F363 WeakPolarHBondContact O-CB 3.34Å; F359-F363 PolarHBondContact O-N 3.12Å
360	C	97.7	Very high	95.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-45.1	172.3	-65.5	0	0	0	0	112.3	M275 F300 I304 L356 K357 F363 L364	M275-C360 WeakPolarHBondContact CE-SG 3.37Å; F300-C360 HydrophobicContact CD1-CB 3.86Å; F300-C360 HydrophobicContact CD2-CB 3.9Å; F300-C360 HydrophobicContact CE1-CB 3.54Å; F300-C360 HydrophobicContact CE2-CB 3.6Å; F300-C360 HydrophobicContact CG-CB 4.05Å; F300-C360 HydrophobicContact CZ-CB 3.41Å; F300-C360 VanDerWaalsContact CZ-CB 3.41Å; I304-C360 HydrophobicContact CD1-CB 3.8Å; L356-C360 PolarHBondContact O-N 2.87Å; L356-C360 PolarHBondContact O-SG 3.32Å; K357-C360 WeakPolarHBondContact O-CB 3.08Å; K357-C360 PolarHBondContact O-N 3.41Å; C360-F363 PolarHBondContact O-N 3.04Å; C360-L364 WeakPolarHBondContact O-CG 3.5Å; C360-L364 PolarHBondContact O-N 3.37Å
361	Q	97.9	Very high	94.8	Very high	93 Å²	93	60 Å²	60	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-43.1	178.1	-71.5	169.9	-2.7	0	0	112.3	F300 K357 K358 F359 F363 L364 S365	F300-Q361 HydrophobicContact CE1-CG 4.37Å; F300-Q361 HydrophobicContact CZ-CG 4.05Å; K357-Q361 VanDerWaalsContact O-CG 3.3Å; K357-Q361 WeakPolarHBondContact O-CG 3.46Å; K357-Q361 PolarHBondContact O-N 3.34Å; K358-Q361 PolarHBondContact O-N 3.23Å; F359-Q361 PolarHBondContact O-N 3.39Å; Q361-F363 VanDerWaalsContact C-N 3.34Å; Q361-F363 PolarHBondContact O-N 2.98Å; Q361-L364 PolarHBondContact O-N 3.48Å; Q361-S365 WeakPolarHBondContact O-CB 3.34Å; Q361-S365 PolarHBondContact O-N 2.93Å; Q361-S365 PolarHBondContact O-OG 3.22Å
362	N	96.9	Very high	94.1	Very high	54 Å²	54	64.6 Å²	64.6	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-36.9	176.3	-72	-9.7	0	0	0	112.2	K358 F359 S365 K366 T367 A368	K358-N362 WeakPolarHBondContact O-CB 3.11Å; K358-N362 PolarHBondContact O-N 3.38Å; F359-N362 PolarHBondContact O-N 3.49Å; N362-S365 WeakPolarHBondContact CA-OG 3.47Å; N362-S365 PolarHBondContact O-OG 3.43Å; N362-K366 PolarHBondContact O-N 2.89Å; N362-T367 VanDerWaalsContact CA-OG1 3.26Å; N362-T367 WeakPolarHBondContact CA-OG1 3.49Å; N362-T367 WeakPolarHBondContact CB-OG1 3.47Å; N362-T367 PolarHBondContact O-N 3.44Å; N362-T367 PolarHBondContact O-OG1 3.21Å; N362-T367 VanDerWaalsContact O-OG1 3.13Å; N362-A368 HydrophobicContact CB-CB 4.31Å; N362-A368 PolarHBondContact O-N 3.29Å
363	F	96.6	Very high	93.3	Very high	18 Å²	18	65.9 Å²	65.9	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-66.3	-50.5	174.8	170.8	-97.4	0	0	0	111.7	N273 I304 I335 N337 Y344 F359 C360 Q361 S365 K366 A368	N273-F363 HydrophobicContact CB-CE1 3.76Å; N273-F363 HydrophobicContact CB-CZ 4.02Å; N273-F363 WeakPolarHBondContact OD1-CZ 3.46Å; I304-F363 HydrophobicContact CD1-CD1 4.07Å; I335-F363 HydrophobicContact CB-CD2 4.3Å; I335-F363 HydrophobicContact CB-CE2 4.48Å; I335-F363 HydrophobicContact CD1-CB 3.56Å; I335-F363 HydrophobicContact CD1-CD1 4.12Å; I335-F363 HydrophobicContact CD1-CD2 4.14Å; I335-F363 HydrophobicContact CD1-CG 3.67Å; I335-F363 HydrophobicContact CG2-CD1 4.11Å; I335-F363 HydrophobicContact CG2-CD2 3.76Å; I335-F363 HydrophobicContact CG2-CE1 3.95Å; I335-F363 HydrophobicContact CG2-CE2 3.57Å; I335-F363 HydrophobicContact CG2-CG 4.03Å; I335-F363 HydrophobicContact CG2-CZ 3.67Å; N337-F363 HydrophobicContact CB-CZ 4.28Å; Y344-F363 HydrophobicContact CD1-CD2 4.38Å; Y344-F363 AromaticContact CD2-CD2 3.87Å; Y344-F363 HydrophobicContact CD2-CD2 3.87Å; Y344-F363 AromaticContact CD2-CE2 3.75Å; Y344-F363 HydrophobicContact CD2-CE2 3.75Å; Y344-F363 HydrophobicContact CE1-CD2 4.46Å; Y344-F363 AromaticContact CE2-CD2 3.99Å; Y344-F363 HydrophobicContact CE2-CD2 3.99Å; Y344-F363 AromaticContact CE2-CE2 3.6Å; Y344-F363 HydrophobicContact CE2-CE2 3.6Å; Y344-F363 HydrophobicContact CG-CD2 4.11Å; Y344-F363 HydrophobicContact CG-CE2 4.45Å; F359-F363 WeakPolarHBondContact O-CB 3.34Å; F359-F363 PolarHBondContact O-N 3.12Å; C360-F363 PolarHBondContact O-N 3.04Å; Q361-F363 VanDerWaalsContact C-N 3.34Å; Q361-F363 PolarHBondContact O-N 2.98Å; F363-S365 VanDerWaalsContact C-N 3.32Å; F363-S365 PolarHBondContact O-N 3.16Å; F363-K366 PolarHBondContact O-N 2.85Å; F363-A368 HydrophobicContact CB-CB 4.31Å
364	L	96.1	Very high	92.8	Very high	70 Å²	70	65.1 Å²	65.1	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-30	-179.4	-67.1	174.5	0	0	0	113.1	F300 K303 I304 C360 Q361 K366	F300-L364 HydrophobicContact CD1-CD1 3.7Å; F300-L364 HydrophobicContact CE1-CD1 3.93Å; K303-L364 HydrophobicContact CB-CD1 4.27Å; K303-L364 HydrophobicContact CD-CD1 4.19Å; I304-L364 HydrophobicContact CD1-CD1 4.16Å; I304-L364 HydrophobicContact CD1-CD2 4.37Å; I304-L364 HydrophobicContact CD1-CG 4.11Å; I304-L364 HydrophobicContact CG1-CD1 4.49Å; I304-L364 HydrophobicContact CG1-CD2 4.26Å; C360-L364 WeakPolarHBondContact O-CG 3.5Å; C360-L364 PolarHBondContact O-N 3.37Å; Q361-L364 PolarHBondContact O-N 3.48Å; L364-K366 VanDerWaalsContact C-N 3.25Å; L364-K366 PolarHBondContact O-N 3.11Å
365	S	96.2	Very high	92.4	Very high	69 Å²	69	61.7 Å²	61.7	48%	0.483	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.1	171.7	59.3	0	0	0	0	114.1	Q361 N362 F363 T367	Q361-S365 WeakPolarHBondContact O-CB 3.34Å; Q361-S365 PolarHBondContact O-N 2.93Å; Q361-S365 PolarHBondContact O-OG 3.22Å; N362-S365 WeakPolarHBondContact CA-OG 3.47Å; N362-S365 PolarHBondContact O-OG 3.43Å; F363-S365 VanDerWaalsContact C-N 3.32Å; F363-S365 PolarHBondContact O-N 3.16Å; S365-T367 PolarHBondContact O-N 2.84Å; S365-T367 PolarHBondContact OG-OG1 2.71Å
366	K	93.3	Very high	92.1	Very high	195 Å²	195	65 Å²	65	85%	0.848	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	21.6	-179	-51.7	178.6	-179.2	177.7	0	114.7	N362 F363 L364	N362-K366 PolarHBondContact O-N 2.89Å; F363-K366 PolarHBondContact O-N 2.85Å; L364-K366 VanDerWaalsContact C-N 3.25Å; L364-K366 PolarHBondContact O-N 3.11Å
367	T	93.1	Very high	91.8	Very high	94 Å²	94	68.6 Å²	68.6	58%	0.577	34%	0.342	S	S	*	.			trans	-92.3	-14.4	176.3	62.3	0	0	0	0	113.3	N362 S365	N362-T367 VanDerWaalsContact CA-OG1 3.26Å; N362-T367 WeakPolarHBondContact CA-OG1 3.49Å; N362-T367 WeakPolarHBondContact CB-OG1 3.47Å; N362-T367 PolarHBondContact O-N 3.44Å; N362-T367 PolarHBondContact O-OG1 3.21Å; N362-T367 VanDerWaalsContact O-OG1 3.13Å; S365-T367 PolarHBondContact O-N 2.84Å; S365-T367 PolarHBondContact OG-OG1 2.71Å
368	A	91.6	Very high	91.4	Very high	19 Å²	19	68.3 Å²	68.3	16%	0.157	34%	0.344	C	S	.	.	S	Bend	trans	-64.8	134.8	175.7	0	0	0	0	0	112.6	Y344 N362 F363 K370	Y344-A368 HydrophobicContact CD1-CB 3.78Å; Y344-A368 HydrophobicContact CE1-CB 4.27Å; Y344-A368 WeakPolarHBondContact CE1-O 3.37Å; N362-A368 HydrophobicContact CB-CB 4.31Å; N362-A368 PolarHBondContact O-N 3.29Å; F363-A368 HydrophobicContact CB-CB 4.31Å; A368-K370 PolarHBondContact O-N 3.16Å
369	K	87.1	Confident	91	Very high	126 Å²	126	71.6 Å²	71.6	55%	0.548	36%	0.358	S	S	.	.			trans	-66.5	113.1	176	-172.9	-178	-178.2	-176.8	0	109.9	Y344 H371 E375 D443	Y344-K369 WeakPolarHBondContact CD1-O 3.13Å; K369-H371 PolarHBondContact O-N 3.04Å; K369-E375 WeakPolarHBondContact CE-OE1 3.28Å; K369-E375 IonicContact NZ-OE1 3.04Å; K369-E375 PolarHBondContact NZ-OE1 3.13Å; K369-D443 IonicContact NZ-OD2 2.9Å
370	K	87.4	Confident	90.7	Very high	100 Å²	100	79.1 Å²	79.1	44%	0.435	39%	0.388	S	S	.	.			trans	-61.7	130.9	171.4	176.4	168.4	177.8	164.7	0	109.2	S340 A342 Y344 A368	S340-K370 PolarHBondContact O-NZ 3.12Å; A342-K370 HydrophobicContact CB-CD 3.83Å; A342-K370 HydrophobicContact CB-CG 4.45Å; Y344-K370 HydrophobicContact CD1-CB 4.29Å; Y344-K370 VanDerWaalsContact CE1-CA 3.49Å; Y344-K370 HydrophobicContact CE1-CB 3.72Å; A368-K370 PolarHBondContact O-N 3.16Å
371	H	83.9	Confident	90.4	Very high	21 Å²	21	82 Å²	82	10%	0.097	40%	0.398	C	S	.	.			trans	-67.5	144.5	174.7	-171.9	49.2	0	0	0	111	R343 K345 K369 T445 D448	R343-H371 HydrophobicContact CB-CB 4.24Å; R343-H371 VanDerWaalsContact O-CB 3.31Å; R343-H371 WeakPolarHBondContact O-CB 3.35Å; R343-H371 PolarHBondContact O-N 2.66Å; K345-H371 VanDerWaalsContact CE-CE1 3.48Å; K345-H371 WeakPolarHBondContact CE-CE1 3.46Å; K345-H371 PolarHBondContact NZ-CE1 3.46Å; K345-H371 PolarHBondContact NZ-NE2 2.78Å; K369-H371 PolarHBondContact O-N 3.04Å; H371-T445 PolarHBondContact CE1-O 3.17Å; H371-T445 VanDerWaalsContact CE1-O 3.31Å; H371-T445 PolarHBondContact ND1-O 2.74Å; H371-D448 IonicContact CD2-OD1 3.61Å; H371-D448 IonicContact CE1-OD1 2.58Å; H371-D448 PolarHBondContact CE1-OD1 3.39Å; H371-D448 VanDerWaalsContact CE1-OD1 3.3Å; H371-D448 VanDerWaalsContact NE2-CG 3.3Å; H371-D448 IonicContact NE2-OD1 3.51Å; H371-D448 PolarHBondContact NE2-OD1 2.92Å; H371-D448 IonicContact NE2-OD2 3.42Å; H371-D448 PolarHBondContact NE2-OD2 2.95Å
372	K	79.9	Confident	90	Very high	108 Å²	108	81 Å²	81	47%	0.47	40%	0.396	S	S	.	.			trans	-136.9	158.2	179.3	-69.6	-174.4	173.6	-173.2	0	109.3	S374 E376	K372-S374 WeakPolarHBondContact CB-O 3.42Å; K372-S374 WeakPolarHBondContact CD-O 3.11Å; K372-S374 PolarHBondContact O-N 3.03Å; K372-E376 IonicContact NZ-OE1 3.21Å
373	S	79.4	Confident	89.6	Confident	79 Å²	79	85.8 Å²	85.8	55%	0.552	42%	0.417	S	S	*	.	S	Bend	trans	-61.3	-27.3	167.7	48.6	0	0	0	0	112.8	D448	S373-D448 PolarHBondContact O-N 2.79Å
374	S	86.9	Confident	89.2	Confident	7 Å²	7	86.4 Å²	86.4	5%	0.049	43%	0.429	C	S	.	.			trans	-153.5	151.7	171.8	-179.9	0	0	0	0	111	K372 G391 K392 N447	K372-S374 WeakPolarHBondContact CB-O 3.42Å; K372-S374 WeakPolarHBondContact CD-O 3.11Å; K372-S374 PolarHBondContact O-N 3.03Å; S374-G391 WeakPolarHBondContact OG-CA 3.32Å; S374-G391 PolarHBondContact OG-N 3.04Å; S374-K392 PolarHBondContact OG-N 2.69Å; S374-N447 WeakPolarHBondContact CA-OD1 3.49Å; S374-N447 PolarHBondContact OG-OD1 3.15Å
375	E	87.8	Confident	89	Confident	36 Å²	36	85.1 Å²	85.1	17%	0.168	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-65.5	171.9	156.4	-58.3	-163	116.4	0	0	111.2	K369 K388 V390 A446 N447	K369-E375 WeakPolarHBondContact CE-OE1 3.28Å; K369-E375 IonicContact NZ-OE1 3.04Å; K369-E375 PolarHBondContact NZ-OE1 3.13Å; E375-K388 WeakPolarHBondContact OE2-CE 3.21Å; E375-K388 IonicContact OE2-NZ 2.61Å; E375-K388 PolarHBondContact OE2-NZ 3.22Å; E375-V390 HydrophobicContact CB-CB 4.19Å; E375-V390 HydrophobicContact CB-CG1 3.77Å; E375-A446 HydrophobicContact CG-CB 3.82Å; E375-N447 PolarHBondContact N-OD1 3.3Å
376	E	90.5	Very high	89	Confident	108 Å²	108	82.1 Å²	82.1	51%	0.505	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-79.5	145.6	167.6	-62.6	-54.4	140.2	0	0	110.2	K372 P378 K392	K372-E376 IonicContact NZ-OE1 3.21Å; E376-P378 WeakPolarHBondContact O-CD 3.47Å; E376-K392 IonicContact OE1-NZ 3.47Å; E376-K392 PolarHBondContact OE1-NZ 3Å; E376-K392 IonicContact OE2-NZ 2.66Å; E376-K392 PolarHBondContact OE2-NZ 3.47Å
377	I	91.3	Very high	89.2	Confident	75 Å²	75	76 Å²	76	39%	0.385	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-64.2	123	178.1	-58	170.2	0	0	0	108.3	W381 V390 K392 N393	I377-W381 HydrophobicContact CG2-CB 4.26Å; I377-W381 HydrophobicContact CG2-CG 3.89Å; I377-V390 HydrophobicContact CB-CG2 4.31Å; I377-V390 HydrophobicContact CG1-CG2 3.67Å; I377-K392 HydrophobicContact CD1-CB 3.99Å; I377-K392 HydrophobicContact CG1-CB 3.91Å; I377-N393 HydrophobicContact CD1-CB 4.05Å; I377-N393 HydrophobicContact CG1-CB 4.32Å
378	P	90.8	Very high	89.3	Confident	34 Å²	34	74.4 Å²	74.4	22%	0.221	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60.1	144.5	175.5	-21.2	31	0	0	0	111.6	E376 Y380 W381 K388	E376-P378 WeakPolarHBondContact O-CD 3.47Å; P378-Y380 PolarHBondContact O-N 2.71Å; P378-W381 HydrophobicContact CB-CB 3.99Å; P378-W381 HydrophobicContact CG-CB 4.11Å; P378-W381 WeakPolarHBondContact O-CB 3.47Å; P378-W381 PolarHBondContact O-N 2.61Å; P378-K388 HydrophobicContact CG-CD 4.04Å; P378-K388 HydrophobicContact CG-CG 4.35Å
379	K	89.1	Confident	89.5	Confident	193 Å²	193	73.5 Å²	73.5	84%	0.839	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	178.7	-72.5	-170.6	175.6	-172.7	0	114.8
380	Y	90.4	Very high	89.8	Confident	163 Å²	163	67.5 Å²	67.5	64%	0.639	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	48.4	-174.3	35.5	-98.2	0	0	0	108.4	P378 D382 Q383	P378-Y380 PolarHBondContact O-N 2.71Å; Y380-D382 VanDerWaalsContact C-N 3.26Å; Y380-D382 PolarHBondContact O-N 2.86Å; Y380-Q383 VanDerWaalsContact CB-CD 3.43Å; Y380-Q383 VanDerWaalsContact CB-OE1 3.29Å
381	W	91.1	Very high	89.9	Confident	60 Å²	60	64 Å²	64	23%	0.227	32%	0.32	C	S	.	.	S	Bend	trans	-73.2	-20.8	-176.5	70.3	-85.2	0	0	0	113.1	I377 P378 K387 K388 L389 V397	I377-W381 HydrophobicContact CG2-CB 4.26Å; I377-W381 HydrophobicContact CG2-CG 3.89Å; P378-W381 HydrophobicContact CB-CB 3.99Å; P378-W381 HydrophobicContact CG-CB 4.11Å; P378-W381 WeakPolarHBondContact O-CB 3.47Å; P378-W381 PolarHBondContact O-N 2.61Å; W381-K387 HydrophobicContact CE3-CB 4.31Å; W381-K387 HydrophobicContact CZ3-CB 4.26Å; W381-K387 HydrophobicContact CZ3-CD 4.02Å; W381-K387 CarbonylContact O-C 3.54Å; W381-K387 VanDerWaalsContact O-CA 3.31Å; W381-K387 WeakPolarHBondContact O-CA 3.48Å; W381-K388 PolarHBondContact O-N 3.35Å; W381-L389 HydrophobicContact CE3-CD2 4.18Å; W381-L389 HydrophobicContact CZ3-CD2 3.93Å; W381-V397 HydrophobicContact CH2-CG2 3.54Å; W381-V397 HydrophobicContact CZ3-CG2 3.66Å
382	D	91.4	Very high	90.2	Very high	73 Å²	73	68.2 Å²	68.2	39%	0.39	34%	0.338	S	S	.	.	S	Bend	trans	-113	-9.3	-171.6	53.3	-13.2	0	0	0	113.8	Y380 G384 K387	Y380-D382 VanDerWaalsContact C-N 3.26Å; Y380-D382 PolarHBondContact O-N 2.86Å; D382-G384 PolarHBondContact O-N 3.38Å; D382-K387 HydrophobicContact CB-CD 4.32Å
383	Q	86.5	Confident	90.9	Very high	153 Å²	153	63.6 Å²	63.6	72%	0.715	32%	0.319	S	S	*	.	S	Bend	trans	-82.6	-8.2	-172.3	-61.8	-177.1	2.4	0	0	114.7	Y380	Y380-Q383 VanDerWaalsContact CB-CD 3.43Å; Y380-Q383 VanDerWaalsContact CB-OE1 3.29Å
384	G	88.9	Confident	91.5	Very high	32 Å²	32	59.9 Å²	59.9	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	-100.6	161.2	175.5	0	0	0	0	0	112.1	D382 V386	D382-G384 PolarHBondContact O-N 3.38Å; G384-V386 PolarHBondContact O-N 3.05Å; G384-V386 VanDerWaalsContact O-N 3.13Å
385	P	92.7	Very high	91.7	Very high	42 Å²	42	64.1 Å²	64.1	27%	0.273	32%	0.315	S	S	.	.	S	Bend	trans	-63.2	-18.5	178	27.9	-35.1	0	0	0	112.9	E425 G428 M429	P385-E425 HydrophobicContact CG-CG 4.05Å; P385-E425 WeakPolarHBondContact CG-OE1 3.47Å; P385-G428 WeakPolarHBondContact O-CA 3.43Å; P385-M429 HydrophobicContact CB-CG 3.81Å; P385-M429 HydrophobicContact CG-CG 3.88Å
386	V	96.4	Very high	91.8	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.042	34%	0.34	C	S	.	.	S	Bend	trans	-118.4	109.7	170.1	-175.1	0	0	0	0	109.6	G384 K388 L424 I439 K441	G384-V386 PolarHBondContact O-N 3.05Å; G384-V386 VanDerWaalsContact O-N 3.13Å; V386-K388 PolarHBondContact O-N 2.88Å; V386-L424 HydrophobicContact CG1-CD2 3.86Å; V386-L424 HydrophobicContact CG1-CG 4.04Å; V386-L424 HydrophobicContact CG2-CG 4.04Å; V386-L424 WeakPolarHBondContact CG2-O 3.38Å; V386-I439 WeakPolarHBondContact CA-O 3.37Å; V386-I439 HydrophobicContact CG1-CG2 4.28Å; V386-I439 HydrophobicContact CG2-CG2 4.1Å; V386-K441 HydrophobicContact CB-CD 4.4Å; V386-K441 HydrophobicContact CG1-CB 4.04Å; V386-K441 HydrophobicContact CG1-CD 3.63Å; V386-K441 HydrophobicContact CG1-CG 3.72Å
387	K	96.3	Very high	91.9	Very high	66 Å²	66	63.3 Å²	63.3	29%	0.287	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.6	-178	-54.7	-164.4	-168.5	170.7	0	110.8	W381 D382 L438 I439 A440 K441	W381-K387 HydrophobicContact CE3-CB 4.31Å; W381-K387 HydrophobicContact CZ3-CB 4.26Å; W381-K387 HydrophobicContact CZ3-CD 4.02Å; W381-K387 CarbonylContact O-C 3.54Å; W381-K387 VanDerWaalsContact O-CA 3.31Å; W381-K387 WeakPolarHBondContact O-CA 3.48Å; D382-K387 HydrophobicContact CB-CD 4.32Å; K387-L438 HydrophobicContact CB-CD2 4.18Å; K387-L438 HydrophobicContact CD-CD1 4.17Å; K387-L438 HydrophobicContact CD-CD2 3.74Å; K387-L438 HydrophobicContact CD-CG 4.08Å; K387-L438 HydrophobicContact CG-CD2 3.87Å; K387-I439 PolarHBondContact N-O 3.39Å; K387-A440 HydrophobicContact CB-CB 4.43Å; K387-A440 CarbonylContact O-C 3.59Å; K387-A440 WeakPolarHBondContact O-CA 3.36Å; K387-A440 WeakPolarHBondContact O-CB 3.39Å; K387-K441 PolarHBondContact O-N 3.32Å
388	K	95.6	Very high	91.9	Very high	61 Å²	61	59.8 Å²	59.8	27%	0.265	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.3	174.6	178.9	171.3	173	177.6	0	109.8	E375 P378 W381 V386	E375-K388 WeakPolarHBondContact OE2-CE 3.21Å; E375-K388 IonicContact OE2-NZ 2.61Å; E375-K388 PolarHBondContact OE2-NZ 3.22Å; P378-K388 HydrophobicContact CG-CD 4.04Å; P378-K388 HydrophobicContact CG-CG 4.35Å; W381-K388 PolarHBondContact O-N 3.35Å; V386-K388 PolarHBondContact O-N 2.88Å
389	L	95.8	Very high	91.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	156.3	173.8	-50.1	-179.1	0	0	0	111.3	W381 F394 V397 V398 V407 A440 K441 I442	W381-L389 HydrophobicContact CE3-CD2 4.18Å; W381-L389 HydrophobicContact CZ3-CD2 3.93Å; L389-F394 HydrophobicContact CB-CD2 4.34Å; L389-F394 HydrophobicContact CD1-CD2 3.92Å; L389-F394 HydrophobicContact CD1-CE2 4.4Å; L389-V397 HydrophobicContact CD1-CG1 4.49Å; L389-V397 HydrophobicContact CD2-CB 3.87Å; L389-V397 HydrophobicContact CD2-CG1 3.87Å; L389-V397 HydrophobicContact CD2-CG2 3.91Å; L389-V398 HydrophobicContact CD1-CG1 3.81Å; L389-V407 HydrophobicContact CD1-CG1 4.42Å; L389-V407 HydrophobicContact CD1-CG2 4.23Å; L389-A440 HydrophobicContact CD1-CB 3.92Å; L389-A440 HydrophobicContact CG-CB 4.07Å; L389-K441 PolarHBondContact N-O 3.39Å; L389-I442 HydrophobicContact CB-CB 4.16Å; L389-I442 HydrophobicContact CB-CD1 3.99Å; L389-I442 HydrophobicContact CB-CG1 4.42Å; L389-I442 WeakPolarHBondContact O-CG1 3.42Å
390	V	93.6	Very high	91.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.			trans	-139.5	162.7	172.2	-59.4	0	0	0	0	107.9	E375 I377 K392 N393 F394 N447	E375-V390 HydrophobicContact CB-CB 4.19Å; E375-V390 HydrophobicContact CB-CG1 3.77Å; I377-V390 HydrophobicContact CB-CG2 4.31Å; I377-V390 HydrophobicContact CG1-CG2 3.67Å; V390-K392 HydrophobicContact CG2-CB 4.25Å; V390-K392 PolarHBondContact O-N 2.88Å; V390-N393 WeakPolarHBondContact CG2-OD1 3.35Å; V390-N393 PolarHBondContact N-OD1 3.45Å; V390-N393 PolarHBondContact O-N 3.27Å; V390-N393 PolarHBondContact O-OD1 2.83Å; V390-F394 WeakPolarHBondContact O-CB 3.34Å; V390-F394 PolarHBondContact O-N 2.8Å; V390-N447 WeakPolarHBondContact CA-OD1 3.4Å; V390-N447 WeakPolarHBondContact CB-OD1 3.49Å
391	G	89.7	Confident	91.7	Very high	26 Å²	26	54.5 Å²	54.5	27%	0.268	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.4	-176.5	0	0	0	0	0	115	S374 N447	S374-G391 WeakPolarHBondContact OG-CA 3.32Å; S374-G391 PolarHBondContact OG-N 3.04Å; G391-N447 PolarHBondContact N-OD1 3.19Å
392	K	90.8	Very high	91.6	Very high	109 Å²	109	58 Å²	58	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-31.4	175.7	-71.5	-177.8	-167	-170	0	115.1	S374 E376 I377 V390	S374-K392 PolarHBondContact OG-N 2.69Å; E376-K392 IonicContact OE1-NZ 3.47Å; E376-K392 PolarHBondContact OE1-NZ 3Å; E376-K392 IonicContact OE2-NZ 2.66Å; E376-K392 PolarHBondContact OE2-NZ 3.47Å; I377-K392 HydrophobicContact CD1-CB 3.99Å; I377-K392 HydrophobicContact CG1-CB 3.91Å; V390-K392 HydrophobicContact CG2-CB 4.25Å; V390-K392 PolarHBondContact O-N 2.88Å
393	N	92.9	Very high	91.6	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.059	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.7	179	73.2	-26.5	0	0	0	113.7	I377 V390 V396 V397	I377-N393 HydrophobicContact CD1-CB 4.05Å; I377-N393 HydrophobicContact CG1-CB 4.32Å; V390-N393 WeakPolarHBondContact CG2-OD1 3.35Å; V390-N393 PolarHBondContact N-OD1 3.45Å; V390-N393 PolarHBondContact O-N 3.27Å; V390-N393 PolarHBondContact O-OD1 2.83Å; N393-V396 PolarHBondContact O-N 3.47Å; N393-V397 WeakPolarHBondContact O-CG2 3.21Å; N393-V397 PolarHBondContact O-N 3.04Å
394	F	93.3	Very high	91.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-50.8	-63.1	-177.5	-177.4	-95.8	0	0	0	112.6	L389 V390 V396 V397 V398 V407 F409 I442 I449 L451 F463	L389-F394 HydrophobicContact CB-CD2 4.34Å; L389-F394 HydrophobicContact CD1-CD2 3.92Å; L389-F394 HydrophobicContact CD1-CE2 4.4Å; V390-F394 WeakPolarHBondContact O-CB 3.34Å; V390-F394 PolarHBondContact O-N 2.8Å; F394-V396 PolarHBondContact O-N 2.63Å; F394-V397 PolarHBondContact O-N 2.88Å; F394-V397 VanDerWaalsContact O-N 3.08Å; F394-V398 HydrophobicContact CD1-CG2 4.01Å; F394-V398 HydrophobicContact CD2-CG1 3.9Å; F394-V398 HydrophobicContact CE1-CG1 4.28Å; F394-V398 HydrophobicContact CE1-CG2 3.67Å; F394-V398 HydrophobicContact CE2-CG1 3.66Å; F394-V398 HydrophobicContact CG-CG1 4.33Å; F394-V398 HydrophobicContact CZ-CB 4.49Å; F394-V398 HydrophobicContact CZ-CG1 3.86Å; F394-V398 HydrophobicContact CZ-CG2 3.98Å; F394-V398 WeakPolarHBondContact O-CG1 3.37Å; F394-V398 WeakPolarHBondContact O-CG2 3.21Å; F394-V398 PolarHBondContact O-N 2.84Å; F394-V407 HydrophobicContact CE2-CG1 4.3Å; F394-F409 AromaticContact CE2-CE1 3.69Å; F394-F409 HydrophobicContact CE2-CE1 3.69Å; F394-F409 AromaticContact CE2-CZ 3.83Å; F394-F409 HydrophobicContact CE2-CZ 3.83Å; F394-F409 AromaticContact CZ-CE1 3.8Å; F394-F409 HydrophobicContact CZ-CE1 3.8Å; F394-F409 AromaticContact CZ-CZ 3.79Å; F394-F409 HydrophobicContact CZ-CZ 3.79Å; F394-I442 HydrophobicContact CB-CD1 4.1Å; F394-I442 HydrophobicContact CD2-CD1 3.61Å; F394-I442 HydrophobicContact CD2-CG2 4.46Å; F394-I442 HydrophobicContact CE2-CD1 4.42Å; F394-I442 HydrophobicContact CE2-CG2 4.27Å; F394-I442 HydrophobicContact CG-CD1 4.14Å; F394-I449 HydrophobicContact CD1-CG2 3.6Å; F394-I449 HydrophobicContact CD2-CD1 4.39Å; F394-I449 HydrophobicContact CE1-CG2 3.35Å; F394-I449 HydrophobicContact CE2-CD1 4.31Å; F394-I449 HydrophobicContact CE2-CG2 4.4Å; F394-I449 HydrophobicContact CG-CG2 4.24Å; F394-I449 HydrophobicContact CZ-CG2 3.8Å; F394-L451 HydrophobicContact CE1-CD2 4.44Å; F394-L451 HydrophobicContact CZ-CD2 4.17Å; F394-F463 HydrophobicContact CE1-CZ 4.36Å; F394-F463 HydrophobicContact CZ-CE1 4.28Å; F394-F463 HydrophobicContact CZ-CE2 4.19Å; F394-F463 AromaticContact CZ-CZ 3.69Å; F394-F463 HydrophobicContact CZ-CZ 3.69Å
395	N	90.2	Very high	92.2	Very high	96 Å²	96	48.3 Å²	48.3	51%	0.513	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-34.9	-179.4	-69.7	35.1	0	0	0	113.2	V397 F399	N395-V397 VanDerWaalsContact C-N 3.31Å; N395-F399 HydrophobicContact CB-CD2 4.1Å; N395-F399 HydrophobicContact CB-CE2 4.31Å; N395-F399 WeakPolarHBondContact O-CD2 3.28Å; N395-F399 PolarHBondContact O-N 2.81Å
396	V	91.2	Very high	92.4	Very high	114 Å²	114	46.3 Å²	46.3	69%	0.691	23%	0.23	S	C	*	.	H	α-helix	trans	-70.8	-30	-178.4	-178.7	0	0	0	0	111.5	N393 F394	N393-V396 PolarHBondContact O-N 3.47Å; F394-V396 PolarHBondContact O-N 2.63Å
397	V	92.4	Very high	92.4	Very high	12 Å²	12	46 Å²	46	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-92.1	-42.1	179.3	-179.4	0	0	0	0	111.7	W381 L389 N393 F394 N395 D400 V405 L438	W381-V397 HydrophobicContact CH2-CG2 3.54Å; W381-V397 HydrophobicContact CZ3-CG2 3.66Å; L389-V397 HydrophobicContact CD1-CG1 4.49Å; L389-V397 HydrophobicContact CD2-CB 3.87Å; L389-V397 HydrophobicContact CD2-CG1 3.87Å; L389-V397 HydrophobicContact CD2-CG2 3.91Å; N393-V397 WeakPolarHBondContact O-CG2 3.21Å; N393-V397 PolarHBondContact O-N 3.04Å; F394-V397 PolarHBondContact O-N 2.88Å; F394-V397 VanDerWaalsContact O-N 3.08Å; N395-V397 VanDerWaalsContact C-N 3.31Å; V397-D400 VanDerWaalsContact O-CB 3.31Å; V397-D400 WeakPolarHBondContact O-CB 3.4Å; V397-D400 PolarHBondContact O-N 3.33Å; V397-V405 HydrophobicContact CG1-CG1 4.4Å; V397-V405 WeakPolarHBondContact O-CG2 3.47Å; V397-L438 HydrophobicContact CG1-CD1 3.78Å
398	V	91.6	Very high	92.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-79.5	-17.4	-174.3	-51.3	0	0	0	0	114.3	L389 F394 V405 V407 F463	L389-V398 HydrophobicContact CD1-CG1 3.81Å; F394-V398 HydrophobicContact CD1-CG2 4.01Å; F394-V398 HydrophobicContact CD2-CG1 3.9Å; F394-V398 HydrophobicContact CE1-CG1 4.28Å; F394-V398 HydrophobicContact CE1-CG2 3.67Å; F394-V398 HydrophobicContact CE2-CG1 3.66Å; F394-V398 HydrophobicContact CG-CG1 4.33Å; F394-V398 HydrophobicContact CZ-CB 4.49Å; F394-V398 HydrophobicContact CZ-CG1 3.86Å; F394-V398 HydrophobicContact CZ-CG2 3.98Å; F394-V398 WeakPolarHBondContact O-CG1 3.37Å; F394-V398 WeakPolarHBondContact O-CG2 3.21Å; F394-V398 PolarHBondContact O-N 2.84Å; V398-V405 HydrophobicContact CG1-CG1 4.14Å; V398-V407 HydrophobicContact CG1-CG2 3.77Å; V398-F463 HydrophobicContact CB-CB 4.07Å; V398-F463 HydrophobicContact CB-CD1 3.85Å; V398-F463 HydrophobicContact CB-CD2 3.98Å; V398-F463 HydrophobicContact CB-CE1 4.29Å; V398-F463 HydrophobicContact CB-CE2 4.42Å; V398-F463 HydrophobicContact CB-CG 3.71Å; V398-F463 HydrophobicContact CG1-CD2 4.24Å; V398-F463 HydrophobicContact CG1-CE2 4.4Å; V398-F463 HydrophobicContact CG1-CG 4.46Å; V398-F463 HydrophobicContact CG2-CD1 3.74Å; V398-F463 HydrophobicContact CG2-CE1 3.89Å; V398-F463 HydrophobicContact CG2-CG 4.15Å; V398-F463 HydrophobicContact CG2-CZ 4.42Å; V398-F463 WeakPolarHBondContact O-CB 3.37Å
399	F	89.4	Confident	92.4	Very high	87 Å²	87	40 Å²	40	38%	0.382	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	33.7	172.8	-54	-61	0	0	0	111.2	N395 F463	N395-F399 HydrophobicContact CB-CD2 4.1Å; N395-F399 HydrophobicContact CB-CE2 4.31Å; N395-F399 WeakPolarHBondContact O-CD2 3.28Å; N395-F399 PolarHBondContact O-N 2.81Å; F399-F463 HydrophobicContact CD1-CD1 4.42Å; F399-F463 AromaticContact CE1-CD1 3.84Å; F399-F463 HydrophobicContact CE1-CD1 3.84Å; F399-F463 HydrophobicContact CE1-CE1 4.26Å; F399-F463 HydrophobicContact CZ-CD1 4.32Å; F399-F463 HydrophobicContact CZ-CE1 4.31Å
400	D	88.6	Confident	92.3	Very high	57 Å²	57	41 Å²	41	31%	0.305	21%	0.206	S	C	.	.			trans	-70.2	126.3	170.9	-174.7	-23.4	0	0	0	109.3	V397 E402 K403	V397-D400 VanDerWaalsContact O-CB 3.31Å; V397-D400 WeakPolarHBondContact O-CB 3.4Å; V397-D400 PolarHBondContact O-N 3.33Å; D400-E402 PolarHBondContact O-N 2.74Å; D400-E402 PolarHBondContact OD1-N 3.06Å; D400-K403 HydrophobicContact CB-CB 4.14Å; D400-K403 HydrophobicContact CB-CG 4.22Å; D400-K403 PolarHBondContact O-N 3.36Å; D400-K403 WeakPolarHBondContact OD2-CG 3.47Å
401	K	86.9	Confident	92.1	Very high	134 Å²	134	41 Å²	41	58%	0.583	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	1.4	-176.1	-64.9	176.1	116.7	-74.1	0	113.5	T465 D466	K401-T465 WeakPolarHBondContact O-CG2 3.22Å; K401-D466 WeakPolarHBondContact CE-OD1 3.46Å; K401-D466 IonicContact NZ-OD1 2.62Å; K401-D466 PolarHBondContact NZ-OD1 3.12Å; K401-D466 IonicContact NZ-OD2 3.33Å; K401-D466 PolarHBondContact NZ-OD2 2.67Å
402	E	89.1	Confident	92.1	Very high	133 Å²	133	42.3 Å²	42.3	62%	0.621	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	4.4	176.9	-57.3	-178.7	-169.5	0	0	113.6	D400	D400-E402 PolarHBondContact O-N 2.74Å; D400-E402 PolarHBondContact OD1-N 3.06Å
403	K	91	Very high	91.9	Very high	48 Å²	48	39.9 Å²	39.9	21%	0.209	20%	0.198	C	C	.	.			trans	-137.6	136	-167	-54.1	-67.8	156.4	-107.8	0	114.2	D400 V405 S435 T436 L438 T465	D400-K403 HydrophobicContact CB-CB 4.14Å; D400-K403 HydrophobicContact CB-CG 4.22Å; D400-K403 PolarHBondContact O-N 3.36Å; D400-K403 WeakPolarHBondContact OD2-CG 3.47Å; K403-V405 HydrophobicContact CB-CG2 3.83Å; K403-V405 PolarHBondContact O-N 2.9Å; K403-S435 PolarHBondContact NZ-O 2.89Å; K403-T436 VanDerWaalsContact CA-O 3.23Å; K403-T436 WeakPolarHBondContact CA-O 3.4Å; K403-T436 WeakPolarHBondContact CB-O 3.35Å; K403-T436 VanDerWaalsContact CD-O 3.3Å; K403-T436 WeakPolarHBondContact CD-O 3.42Å; K403-L438 HydrophobicContact CB-CB 4.48Å; K403-L438 HydrophobicContact CB-CD1 4.46Å; K403-T465 PolarHBondContact O-OG1 2.87Å
404	D	93.1	Very high	91.8	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.043	20%	0.198	C	C	.	.			trans	-92	97.5	171.7	-59	-55.9	0	0	0	109.2	F406 T436 V437 L438 L462 T465 V490 R493	D404-F406 PolarHBondContact O-N 3.5Å; D404-T436 PolarHBondContact N-O 3.38Å; D404-T436 WeakPolarHBondContact OD2-CB 3.26Å; D404-T436 PolarHBondContact OD2-OG1 2.91Å; D404-V437 HydrophobicContact CB-CG2 4.22Å; D404-V437 WeakPolarHBondContact O-CA 3.25Å; D404-L438 PolarHBondContact O-N 3.38Å; D404-L462 HydrophobicContact CB-CD1 4.17Å; D404-T465 PolarHBondContact N-OG1 2.63Å; D404-T465 WeakPolarHBondContact OD1-CB 3.35Å; D404-T465 PolarHBondContact OD1-N 2.8Å; D404-T465 PolarHBondContact OD1-OG1 2.84Å; D404-V490 HydrophobicContact CB-CG2 4.47Å; D404-R493 IonicContact OD1-NH1 3.13Å
405	V	95.3	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.5	-164.8	-169.7	0	0	0	0	111.5	V397 V398 K403 V407 L438 A440 F463	V397-V405 HydrophobicContact CG1-CG1 4.4Å; V397-V405 WeakPolarHBondContact O-CG2 3.47Å; V398-V405 HydrophobicContact CG1-CG1 4.14Å; K403-V405 HydrophobicContact CB-CG2 3.83Å; K403-V405 PolarHBondContact O-N 2.9Å; V405-V407 HydrophobicContact CG1-CG2 3.84Å; V405-L438 WeakPolarHBondContact CA-O 3.37Å; V405-L438 HydrophobicContact CG1-CB 4.47Å; V405-L438 HydrophobicContact CG1-CD1 4.43Å; V405-L438 HydrophobicContact CG1-CD2 4.18Å; V405-L438 HydrophobicContact CG2-CB 4.2Å; V405-L438 HydrophobicContact CG2-CD1 4.13Å; V405-A440 HydrophobicContact CG1-CB 4.44Å; V405-F463 HydrophobicContact CB-CB 4.41Å; V405-F463 PolarHBondContact N-O 3.02Å; V405-F463 PolarHBondContact O-N 2.83Å
406	F	96.8	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.7	177.7	-169.1	-113.9	0	0	0	110.8	D404 L427 L438 I439 A440 F460 R461 L462 Y473 F482 F485 L486	D404-F406 PolarHBondContact O-N 3.5Å; F406-L427 HydrophobicContact CD1-CD2 3.96Å; F406-L427 HydrophobicContact CE1-CD2 3.92Å; F406-L438 PolarHBondContact N-O 2.8Å; F406-I439 HydrophobicContact CB-CD1 4Å; F406-I439 HydrophobicContact CD1-CD1 4.28Å; F406-A440 PolarHBondContact O-N 3.18Å; F406-F460 HydrophobicContact CE1-CB 4.23Å; F406-F460 AromaticContact CE1-CD1 3.74Å; F406-F460 HydrophobicContact CE1-CD1 3.74Å; F406-F460 HydrophobicContact CE1-CG 4.3Å; F406-F460 HydrophobicContact CE2-CB 3.88Å; F406-F460 HydrophobicContact CZ-CB 3.54Å; F406-F460 AromaticContact CZ-CD1 3.9Å; F406-F460 HydrophobicContact CZ-CD1 3.9Å; F406-F460 AromaticContact CZ-CG 3.96Å; F406-F460 HydrophobicContact CZ-CG 3.96Å; F406-R461 WeakPolarHBondContact CA-O 3.4Å; F406-L462 HydrophobicContact CB-CD1 4.14Å; F406-L462 HydrophobicContact CD2-CB 4.28Å; F406-L462 HydrophobicContact CD2-CD1 4.4Å; F406-Y473 HydrophobicContact CE2-CD2 4.29Å; F406-Y473 HydrophobicContact CE2-CG 4.46Å; F406-Y473 HydrophobicContact CZ-CD2 4.31Å; F406-Y473 HydrophobicContact CZ-CG 4.39Å; F406-F482 AromaticContact CE1-CD1 3.94Å; F406-F482 HydrophobicContact CE1-CD1 3.94Å; F406-F482 HydrophobicContact CE1-CE1 4.2Å; F406-F482 HydrophobicContact CE1-CG 4.42Å; F406-F482 AromaticContact CZ-CD1 3.7Å; F406-F482 HydrophobicContact CZ-CD1 3.7Å; F406-F482 AromaticContact CZ-CE1 3.93Å; F406-F482 HydrophobicContact CZ-CE1 3.93Å; F406-F485 HydrophobicContact CD2-CE1 4.22Å; F406-F485 HydrophobicContact CE2-CD1 4.15Å; F406-F485 AromaticContact CE2-CE1 3.85Å; F406-F485 HydrophobicContact CE2-CE1 3.85Å; F406-L486 HydrophobicContact CB-CD2 3.89Å; F406-L486 HydrophobicContact CD2-CD2 4Å; F406-L486 HydrophobicContact CG-CD2 3.95Å
407	V	96.6	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125	-172.2	-170.3	0	0	0	0	111.6	L389 F394 V398 V405 F409 A440 I442 F460 R461 F463	L389-V407 HydrophobicContact CD1-CG1 4.42Å; L389-V407 HydrophobicContact CD1-CG2 4.23Å; F394-V407 HydrophobicContact CE2-CG1 4.3Å; V398-V407 HydrophobicContact CG1-CG2 3.77Å; V405-V407 HydrophobicContact CG1-CG2 3.84Å; V407-F409 HydrophobicContact CB-CD2 4.44Å; V407-F409 HydrophobicContact CB-CE2 3.72Å; V407-F409 HydrophobicContact CB-CZ 3.97Å; V407-F409 HydrophobicContact CG1-CD2 4.25Å; V407-F409 HydrophobicContact CG1-CE1 4.27Å; V407-F409 HydrophobicContact CG1-CE2 3.82Å; V407-F409 HydrophobicContact CG1-CZ 3.82Å; V407-F409 WeakPolarHBondContact O-CD2 3.48Å; V407-F409 WeakPolarHBondContact O-CE2 3.25Å; V407-A440 WeakPolarHBondContact CA-O 3.11Å; V407-A440 HydrophobicContact CG2-CB 4.26Å; V407-I442 HydrophobicContact CG1-CG2 3.89Å; V407-F460 VanDerWaalsContact O-CA 3.31Å; V407-F460 WeakPolarHBondContact O-CA 3.48Å; V407-R461 PolarHBondContact N-O 3.24Å; V407-R461 PolarHBondContact O-N 2.75Å; V407-R461 VanDerWaalsContact O-N 3.08Å; V407-F463 HydrophobicContact CB-CE2 4.31Å; V407-F463 HydrophobicContact CG2-CD2 3.96Å; V407-F463 HydrophobicContact CG2-CE2 3.94Å
408	M	96.7	Very high	91.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.1	162.1	-174.9	-166.4	-168.2	0	0	111	C417 L420 F421 L424 A440 K441 I442 P458 F460	M408-C417 HydrophobicContact CE-CB 4.14Å; M408-L420 HydrophobicContact CE-CB 3.91Å; M408-L420 HydrophobicContact CE-CD1 4.37Å; M408-F421 HydrophobicContact CE-CD1 4.13Å; M408-F421 HydrophobicContact CE-CE1 3.97Å; M408-F421 HydrophobicContact SD-CD1 3.94Å; M408-F421 HydrophobicContact SD-CE1 3.93Å; M408-L424 HydrophobicContact CB-CD2 3.5Å; M408-L424 VanDerWaalsContact CB-CD2 3.5Å; M408-L424 HydrophobicContact CG-CD2 4.14Å; M408-L424 HydrophobicContact SD-CD2 3.64Å; M408-A440 PolarHBondContact N-O 3.17Å; M408-K441 HydrophobicContact CB-CB 4.16Å; M408-K441 CarbonylContact O-C 3.57Å; M408-K441 WeakPolarHBondContact O-CA 3.49Å; M408-I442 PolarHBondContact O-N 2.94Å; M408-P458 HydrophobicContact CE-CB 3.72Å; M408-F460 HydrophobicContact CB-CD1 3.73Å; M408-F460 HydrophobicContact CB-CE1 3.54Å; M408-F460 HydrophobicContact CB-CZ 4.4Å; M408-F460 HydrophobicContact CE-CZ 4.2Å; M408-F460 HydrophobicContact CG-CD1 4.01Å; M408-F460 HydrophobicContact CG-CE1 3.48Å; M408-F460 VanDerWaalsContact CG-CE1 3.48Å; M408-F460 HydrophobicContact CG-CZ 3.84Å; M408-F460 HydrophobicContact SD-CE1 4.24Å; M408-F460 HydrophobicContact SD-CZ 4.36Å
409	F	95	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.6	171.7	-60.8	-96.7	0	0	0	108.8	F394 V407 I442 I444 I449 L451 Y457 P458 F459 R461 F463	F394-F409 AromaticContact CE2-CE1 3.69Å; F394-F409 HydrophobicContact CE2-CE1 3.69Å; F394-F409 AromaticContact CE2-CZ 3.83Å; F394-F409 HydrophobicContact CE2-CZ 3.83Å; F394-F409 AromaticContact CZ-CE1 3.8Å; F394-F409 HydrophobicContact CZ-CE1 3.8Å; F394-F409 AromaticContact CZ-CZ 3.79Å; F394-F409 HydrophobicContact CZ-CZ 3.79Å; V407-F409 HydrophobicContact CB-CD2 4.44Å; V407-F409 HydrophobicContact CB-CE2 3.72Å; V407-F409 HydrophobicContact CB-CZ 3.97Å; V407-F409 HydrophobicContact CG1-CD2 4.25Å; V407-F409 HydrophobicContact CG1-CE1 4.27Å; V407-F409 HydrophobicContact CG1-CE2 3.82Å; V407-F409 HydrophobicContact CG1-CZ 3.82Å; V407-F409 WeakPolarHBondContact O-CD2 3.48Å; V407-F409 WeakPolarHBondContact O-CE2 3.25Å; F409-I442 HydrophobicContact CD1-CG2 3.39Å; F409-I442 HydrophobicContact CE1-CG2 3.63Å; F409-I442 HydrophobicContact CG-CG2 4.11Å; F409-I444 HydrophobicContact CB-CG2 4.17Å; F409-I449 HydrophobicContact CD1-CD1 3.96Å; F409-I449 HydrophobicContact CE1-CD1 3.82Å; F409-L451 HydrophobicContact CD1-CD1 3.92Å; F409-L451 HydrophobicContact CE1-CD1 3.71Å; F409-L451 HydrophobicContact CE1-CD2 3.98Å; F409-L451 HydrophobicContact CE1-CG 4.43Å; F409-L451 HydrophobicContact CZ-CD1 4.3Å; F409-L451 HydrophobicContact CZ-CD2 4.06Å; F409-Y457 WeakPolarHBondContact O-CB 3.41Å; F409-P458 WeakPolarHBondContact O-CA 3.42Å; F409-F459 HydrophobicContact CB-CD1 3.81Å; F409-F459 HydrophobicContact CB-CD2 4.04Å; F409-F459 HydrophobicContact CB-CE1 3.45Å; F409-F459 VanDerWaalsContact CB-CE1 3.45Å; F409-F459 HydrophobicContact CB-CE2 3.7Å; F409-F459 HydrophobicContact CB-CG 4.09Å; F409-F459 HydrophobicContact CB-CZ 3.39Å; F409-F459 HydrophobicContact CD1-CE2 4.09Å; F409-F459 AromaticContact CD1-CZ 3.88Å; F409-F459 HydrophobicContact CD1-CZ 3.88Å; F409-F459 AromaticContact CD2-CD2 3.63Å; F409-F459 HydrophobicContact CD2-CD2 3.63Å; F409-F459 AromaticContact CD2-CE2 3.26Å; F409-F459 HydrophobicContact CD2-CE2 3.26Å; F409-F459 HydrophobicContact CD2-CG 4.44Å; F409-F459 AromaticContact CD2-CZ 3.83Å; F409-F459 HydrophobicContact CD2-CZ 3.83Å; F409-F459 HydrophobicContact CE2-CD2 4.4Å; F409-F459 AromaticContact CE2-CE2 3.88Å; F409-F459 HydrophobicContact CE2-CE2 3.88Å; F409-F459 HydrophobicContact CG-CD2 4.02Å; F409-F459 HydrophobicContact CG-CE1 4.04Å; F409-F459 AromaticContact CG-CE2 3.4Å; F409-F459 HydrophobicContact CG-CE2 3.4Å; F409-F459 AromaticContact CG-CZ 3.41Å; F409-F459 HydrophobicContact CG-CZ 3.41Å; F409-F459 VanDerWaalsContact CG-CZ 3.41Å; F409-F459 HydrophobicContact CZ-CE2 4.5Å; F409-F459 PolarHBondContact N-O 3.27Å; F409-F459 PolarHBondContact O-N 3.22Å; F409-R461 HydrophobicContact CE2-CB 4.05Å; F409-R461 HydrophobicContact CE2-CG 4.11Å; F409-F463 HydrophobicContact CE2-CE2 4.23Å; F409-F463 AromaticContact CZ-CE2 3.88Å; F409-F463 HydrophobicContact CZ-CE2 3.88Å; F409-F463 HydrophobicContact CZ-CZ 4.01Å
410	Y	93.9	Very high	92.2	Very high	22 Å²	22	46.6 Å²	46.6	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.2	-169.6	73.5	-88.2	0	0	0	114.5	P412 F421 K441 I442 D443 I444	Y410-P412 HydrophobicContact CD2-CG 4.48Å; Y410-P412 HydrophobicContact CE2-CG 4.04Å; Y410-F421 HydrophobicContact CD1-CE1 4.41Å; Y410-F421 AromaticContact CD2-CE1 3.82Å; Y410-F421 HydrophobicContact CD2-CE1 3.82Å; Y410-F421 AromaticContact CD2-CZ 3.57Å; Y410-F421 HydrophobicContact CD2-CZ 3.57Å; Y410-F421 HydrophobicContact CE2-CE1 4.35Å; Y410-F421 AromaticContact CE2-CZ 3.96Å; Y410-F421 HydrophobicContact CE2-CZ 3.96Å; Y410-F421 AromaticContact CG-CE1 3.86Å; Y410-F421 HydrophobicContact CG-CE1 3.86Å; Y410-F421 HydrophobicContact CG-CZ 4.1Å; Y410-K441 HydrophobicContact CD1-CB 3.98Å; Y410-K441 HydrophobicContact CE1-CB 3.72Å; Y410-K441 HydrophobicContact CE1-CD 4.46Å; Y410-K441 HydrophobicContact CE1-CG 3.94Å; Y410-I442 VanDerWaalsContact CD1-C 3.48Å; Y410-I442 WeakPolarHBondContact CD1-O 3.38Å; Y410-I442 WeakPolarHBondContact CE1-O 3.26Å; Y410-I442 PolarHBondContact N-O 2.92Å; Y410-D443 HydrophobicContact CE2-CB 4.27Å; Y410-D443 WeakPolarHBondContact O-CA 3.48Å; Y410-I444 WeakPolarHBondContact O-CG2 3.28Å; Y410-I444 PolarHBondContact O-N 2.94Å
411	A	89.6	Confident	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.			trans	-109.5	128.6	164.8	0	0	0	0	0	109.9	W413 S414 C417 T445 Y457	A411-W413 HydrophobicContact CB-CD2 4.41Å; A411-W413 HydrophobicContact CB-CZ2 4.38Å; A411-W413 PolarHBondContact O-N 2.95Å; A411-W413 VanDerWaalsContact O-N 3.09Å; A411-S414 PolarHBondContact O-N 3.15Å; A411-C417 PolarHBondContact N-SG 2.95Å; A411-T445 HydrophobicContact CB-CG2 3.49Å; A411-T445 VanDerWaalsContact CB-CG2 3.49Å; A411-Y457 HydrophobicContact CB-CD1 4.29Å; A411-Y457 HydrophobicContact CB-CD2 3.54Å; A411-Y457 HydrophobicContact CB-CE1 4.13Å; A411-Y457 HydrophobicContact CB-CE2 3.35Å; A411-Y457 HydrophobicContact CB-CG 4.02Å
412	P	89.8	Confident	93	Very high	53 Å²	53	43.8 Å²	43.8	34%	0.344	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.8	-173.2	-25.3	32.8	0	0	0	115.5	Y410 K418 D443	Y410-P412 HydrophobicContact CD2-CG 4.48Å; Y410-P412 HydrophobicContact CE2-CG 4.04Å; P412-K418 WeakPolarHBondContact O-CE 3.31Å; P412-D443 WeakPolarHBondContact CD-OD1 3.45Å; P412-D443 HydrophobicContact CG-CB 4.43Å; P412-D443 VanDerWaalsContact CG-OD2 3.26Å; P412-D443 WeakPolarHBondContact CG-OD2 3.25Å
413	W	87.1	Confident	93.4	Very high	59 Å²	59	38.8 Å²	38.8	22%	0.223	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-20.2	-179	51.8	79.7	0	0	0	114.1	P347 D349 A411 E415 K418 T445	P347-W413 HydrophobicContact CB-CD2 4.5Å; P347-W413 HydrophobicContact CB-CE3 3.91Å; P347-W413 HydrophobicContact CB-CZ3 3.94Å; D349-W413 PolarHBondContact OD1-NE1 3.24Å; A411-W413 HydrophobicContact CB-CD2 4.41Å; A411-W413 HydrophobicContact CB-CZ2 4.38Å; A411-W413 PolarHBondContact O-N 2.95Å; A411-W413 VanDerWaalsContact O-N 3.09Å; W413-E415 PolarHBondContact O-N 3.31Å; W413-K418 VanDerWaalsContact O-CE 3.26Å; W413-K418 WeakPolarHBondContact O-CE 3.17Å; W413-K418 PolarHBondContact O-NZ 3.49Å; W413-T445 VanDerWaalsContact CH2-CB 3.47Å; W413-T445 HydrophobicContact CH2-CG2 3.57Å; W413-T445 VanDerWaalsContact CH2-OG1 3.3Å; W413-T445 WeakPolarHBondContact CH2-OG1 3.43Å; W413-T445 HydrophobicContact CZ2-CG2 3.66Å; W413-T445 HydrophobicContact CZ3-CG2 4.29Å; W413-T445 WeakPolarHBondContact CZ3-OG1 3.48Å
414	S	90.8	Very high	93.6	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.07	19%	0.19	C	C	.	.			trans	-73.1	121.8	-171.6	-172.9	0	0	0	0	111.5	D349 A411 K416 C417 K418	D349-S414 PolarHBondContact OD2-OG 3.08Å; A411-S414 PolarHBondContact O-N 3.15Å; S414-K416 VanDerWaalsContact C-N 3.25Å; S414-K416 PolarHBondContact O-N 3.01Å; S414-C417 WeakPolarHBondContact O-CA 3.44Å; S414-C417 WeakPolarHBondContact O-CB 3.32Å; S414-C417 PolarHBondContact O-N 2.77Å; S414-K418 PolarHBondContact O-N 2.9Å
415	E	89.1	Confident	93.8	Very high	130 Å²	130	39 Å²	39	61%	0.607	20%	0.202	S	C	*	.	H	α-helix	trans	-60.9	-34.5	-179.6	-60.2	-52.8	139.5	0	0	112.3	W413 C417 K418 A419	W413-E415 PolarHBondContact O-N 3.31Å; E415-C417 VanDerWaalsContact C-N 3.26Å; E415-C417 PolarHBondContact O-N 2.95Å; E415-K418 PolarHBondContact O-N 3.11Å; E415-K418 IonicContact OE1-NZ 3.2Å; E415-K418 PolarHBondContact OE1-NZ 3.4Å; E415-K418 WeakPolarHBondContact OE2-CD 3.21Å; E415-K418 IonicContact OE2-NZ 2.85Å; E415-A419 WeakPolarHBondContact O-CB 3.44Å; E415-A419 PolarHBondContact O-N 3.41Å
416	K	90.8	Very high	93.9	Very high	150 Å²	150	44 Å²	44	65%	0.652	23%	0.225	S	C	*	.	H	α-helix	trans	-59.2	-37.3	172.4	-67	-176.8	-179.8	179.1	0	112.2	S414 L420 P458	S414-K416 VanDerWaalsContact C-N 3.25Å; S414-K416 PolarHBondContact O-N 3.01Å; K416-L420 WeakPolarHBondContact O-CG 3.49Å; K416-P458 HydrophobicContact CB-CG 4.08Å
417	C	93.7	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-45.4	175.2	-64.3	0	0	0	0	111.2	M408 A411 S414 E415 A419 L420 F421	M408-C417 HydrophobicContact CE-CB 4.14Å; A411-C417 PolarHBondContact N-SG 2.95Å; S414-C417 WeakPolarHBondContact O-CA 3.44Å; S414-C417 WeakPolarHBondContact O-CB 3.32Å; S414-C417 PolarHBondContact O-N 2.77Å; E415-C417 VanDerWaalsContact C-N 3.26Å; E415-C417 PolarHBondContact O-N 2.95Å; C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 2.96Å; C417-L420 PolarHBondContact O-N 3.19Å; C417-F421 HydrophobicContact CB-CE1 4.15Å; C417-F421 HydrophobicContact CB-CZ 4.1Å; C417-F421 VanDerWaalsContact O-CD1 3.28Å; C417-F421 WeakPolarHBondContact O-CD1 3.45Å; C417-F421 WeakPolarHBondContact O-CE1 3.09Å; C417-F421 PolarHBondContact O-N 2.93Å
418	K	93	Very high	93.8	Very high	76 Å²	76	44 Å²	44	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-40.6	-178.7	-66.8	169.6	-168.9	165.4	0	112.8	P412 W413 S414 E415 L420 F421 P422	P412-K418 WeakPolarHBondContact O-CE 3.31Å; W413-K418 VanDerWaalsContact O-CE 3.26Å; W413-K418 WeakPolarHBondContact O-CE 3.17Å; W413-K418 PolarHBondContact O-NZ 3.49Å; S414-K418 PolarHBondContact O-N 2.9Å; E415-K418 PolarHBondContact O-N 3.11Å; E415-K418 IonicContact OE1-NZ 3.2Å; E415-K418 PolarHBondContact OE1-NZ 3.4Å; E415-K418 WeakPolarHBondContact OE2-CD 3.21Å; E415-K418 IonicContact OE2-NZ 2.85Å; K418-L420 PolarHBondContact O-N 2.91Å; K418-F421 HydrophobicContact CB-CD2 4.41Å; K418-F421 HydrophobicContact CB-CE2 4.4Å; K418-F421 HydrophobicContact CG-CD2 4.41Å; K418-F421 HydrophobicContact CG-CE2 3.97Å; K418-F421 PolarHBondContact O-N 2.9Å; K418-P422 WeakPolarHBondContact O-CD 3.46Å
419	A	94.1	Very high	93.8	Very high	77 Å²	77	48.9 Å²	48.9	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-59.8	-26.6	176.5	0	0	0	0	0	113.5	E415 C417	E415-A419 WeakPolarHBondContact O-CB 3.44Å; E415-A419 PolarHBondContact O-N 3.41Å; C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 2.96Å
420	L	96.3	Very high	93.8	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-95	-9.6	-179.2	-59.8	178	0	0	0	113.7	M408 K416 C417 K418 L423 L424 P458 F460 H477	M408-L420 HydrophobicContact CE-CB 3.91Å; M408-L420 HydrophobicContact CE-CD1 4.37Å; K416-L420 WeakPolarHBondContact O-CG 3.49Å; C417-L420 PolarHBondContact O-N 3.19Å; K418-L420 PolarHBondContact O-N 2.91Å; L420-L423 HydrophobicContact CD2-CD2 4.25Å; L420-L423 PolarHBondContact O-N 3.16Å; L420-L424 WeakPolarHBondContact O-CB 3.39Å; L420-L424 PolarHBondContact O-N 3.28Å; L420-P458 HydrophobicContact CD1-CB 3.94Å; L420-P458 HydrophobicContact CD1-CG 3.68Å; L420-F460 HydrophobicContact CD1-CE2 4Å; L420-F460 HydrophobicContact CD1-CZ 3.92Å; L420-H477 HydrophobicContact CD1-CB 4.19Å; L420-H477 HydrophobicContact CD2-CB 3.71Å
421	F	95.3	Very high	93.8	Very high	55 Å²	55	53.3 Å²	53.3	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-41.8	178.6	-64.2	-23	0	0	0	113.9	M408 Y410 C417 K418 L424 E425	M408-F421 HydrophobicContact CE-CD1 4.13Å; M408-F421 HydrophobicContact CE-CE1 3.97Å; M408-F421 HydrophobicContact SD-CD1 3.94Å; M408-F421 HydrophobicContact SD-CE1 3.93Å; Y410-F421 HydrophobicContact CD1-CE1 4.41Å; Y410-F421 AromaticContact CD2-CE1 3.82Å; Y410-F421 HydrophobicContact CD2-CE1 3.82Å; Y410-F421 AromaticContact CD2-CZ 3.57Å; Y410-F421 HydrophobicContact CD2-CZ 3.57Å; Y410-F421 HydrophobicContact CE2-CE1 4.35Å; Y410-F421 AromaticContact CE2-CZ 3.96Å; Y410-F421 HydrophobicContact CE2-CZ 3.96Å; Y410-F421 AromaticContact CG-CE1 3.86Å; Y410-F421 HydrophobicContact CG-CE1 3.86Å; Y410-F421 HydrophobicContact CG-CZ 4.1Å; C417-F421 HydrophobicContact CB-CE1 4.15Å; C417-F421 HydrophobicContact CB-CZ 4.1Å; C417-F421 VanDerWaalsContact O-CD1 3.28Å; C417-F421 WeakPolarHBondContact O-CD1 3.45Å; C417-F421 WeakPolarHBondContact O-CE1 3.09Å; C417-F421 PolarHBondContact O-N 2.93Å; K418-F421 HydrophobicContact CB-CD2 4.41Å; K418-F421 HydrophobicContact CB-CE2 4.4Å; K418-F421 HydrophobicContact CG-CD2 4.41Å; K418-F421 HydrophobicContact CG-CE2 3.97Å; K418-F421 PolarHBondContact O-N 2.9Å; F421-L424 PolarHBondContact O-N 3.46Å; F421-E425 PolarHBondContact O-N 3.21Å
422	P	96.4	Very high	93.9	Very high	77 Å²	77	59 Å²	59	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175.8	-21.3	33.7	0	0	0	111.8	K418 L424 E425 E426	K418-P422 WeakPolarHBondContact O-CD 3.46Å; P422-L424 VanDerWaalsContact C-N 3.33Å; P422-L424 PolarHBondContact O-N 2.87Å; P422-E425 WeakPolarHBondContact O-CB 3.4Å; P422-E425 PolarHBondContact O-N 2.94Å; P422-E425 VanDerWaalsContact O-N 3.09Å; P422-E426 WeakPolarHBondContact O-CG 3.31Å; P422-E426 PolarHBondContact O-N 2.78Å
423	L	96.6	Very high	93.9	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-40.9	179.1	176.4	59.6	0	0	0	112.3	L420 L427 H477 M479 F482	L420-L423 HydrophobicContact CD2-CD2 4.25Å; L420-L423 PolarHBondContact O-N 3.16Å; L423-L427 WeakPolarHBondContact O-CB 3.37Å; L423-L427 PolarHBondContact O-N 3.4Å; L423-H477 WeakPolarHBondContact CD2-O 3.38Å; L423-M479 HydrophobicContact CD1-CB 3.76Å; L423-M479 HydrophobicContact CD1-CE 3.78Å; L423-M479 HydrophobicContact CD1-SD 4.41Å; L423-F482 HydrophobicContact CD2-CD2 4.17Å; L423-F482 HydrophobicContact CD2-CE2 3.65Å; L423-F482 HydrophobicContact CG-CD2 4.28Å; L423-F482 HydrophobicContact CG-CE2 4.02Å
424	L	96.8	Very high	94.1	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-35.3	175.5	-172	66.2	0	0	0	112.2	V386 M408 L420 F421 P422 L427 G428 I439 K441 F460	V386-L424 HydrophobicContact CG1-CD2 3.86Å; V386-L424 HydrophobicContact CG1-CG 4.04Å; V386-L424 HydrophobicContact CG2-CG 4.04Å; V386-L424 WeakPolarHBondContact CG2-O 3.38Å; M408-L424 HydrophobicContact CB-CD2 3.5Å; M408-L424 VanDerWaalsContact CB-CD2 3.5Å; M408-L424 HydrophobicContact CG-CD2 4.14Å; M408-L424 HydrophobicContact SD-CD2 3.64Å; L420-L424 WeakPolarHBondContact O-CB 3.39Å; L420-L424 PolarHBondContact O-N 3.28Å; F421-L424 PolarHBondContact O-N 3.46Å; P422-L424 VanDerWaalsContact C-N 3.33Å; P422-L424 PolarHBondContact O-N 2.87Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 PolarHBondContact O-N 3.19Å; L424-G428 PolarHBondContact O-N 3.19Å; L424-I439 HydrophobicContact CD1-CG2 3.46Å; L424-I439 VanDerWaalsContact CD1-CG2 3.46Å; L424-I439 HydrophobicContact CG-CG2 4.07Å; L424-K441 HydrophobicContact CD2-CB 3.98Å; L424-K441 HydrophobicContact CD2-CD 4.2Å; L424-F460 HydrophobicContact CD1-CE1 4.25Å
425	E	96.4	Very high	93.9	Very high	61 Å²	61	67.9 Å²	67.9	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-40.9	175.9	-147.4	74.8	-165.7	0	0	111.3	P385 F421 P422 G428 M429 K441	P385-E425 HydrophobicContact CG-CG 4.05Å; P385-E425 WeakPolarHBondContact CG-OE1 3.47Å; F421-E425 PolarHBondContact O-N 3.21Å; P422-E425 WeakPolarHBondContact O-CB 3.4Å; P422-E425 PolarHBondContact O-N 2.94Å; P422-E425 VanDerWaalsContact O-N 3.09Å; E425-G428 PolarHBondContact O-N 2.91Å; E425-M429 WeakPolarHBondContact O-CG 3.38Å; E425-M429 PolarHBondContact O-N 3.45Å; E425-K441 IonicContact OE2-NZ 3.68Å; E425-K441 PolarHBondContact OE2-NZ 3.42Å
426	E	96.4	Very high	93.9	Very high	103 Å²	103	63.3 Å²	63.3	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-41.2	171	-70.1	174.2	-161.4	0	0	112.4	P422 G428 M429 K430 M479	P422-E426 WeakPolarHBondContact O-CG 3.31Å; P422-E426 PolarHBondContact O-N 2.78Å; E426-G428 VanDerWaalsContact C-N 3.34Å; E426-M429 HydrophobicContact CB-CE 4.48Å; E426-M429 HydrophobicContact CG-CE 4.13Å; E426-M429 CarbonylContact O-C 3.48Å; E426-M429 PolarHBondContact O-N 3.01Å; E426-K430 PolarHBondContact O-N 2.81Å; E426-M479 HydrophobicContact CB-CE 3.36Å
427	L	96.4	Very high	94	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-43	175.1	-172.1	71.9	0	0	0	110.6	F406 L423 L424 M429 K430 Y431 I439 M479 F482 L486	F406-L427 HydrophobicContact CD1-CD2 3.96Å; F406-L427 HydrophobicContact CE1-CD2 3.92Å; L423-L427 WeakPolarHBondContact O-CB 3.37Å; L423-L427 PolarHBondContact O-N 3.4Å; L424-L427 HydrophobicContact CD1-CD2 4.19Å; L424-L427 PolarHBondContact O-N 3.19Å; L427-M429 VanDerWaalsContact C-N 3.33Å; L427-M429 PolarHBondContact O-N 2.97Å; L427-K430 PolarHBondContact O-N 3.45Å; L427-K430 VanDerWaalsContact O-N 3.15Å; L427-Y431 HydrophobicContact CD1-CD2 3.93Å; L427-Y431 HydrophobicContact CD1-CE2 3.7Å; L427-Y431 HydrophobicContact CG-CD2 4.22Å; L427-Y431 HydrophobicContact CG-CE2 4.45Å; L427-Y431 WeakPolarHBondContact O-CD2 3.25Å; L427-Y431 PolarHBondContact O-N 3.45Å; L427-Y431 VanDerWaalsContact O-N 3.07Å; L427-I439 HydrophobicContact CD2-CD1 4.06Å; L427-I439 HydrophobicContact CD2-CG2 4.38Å; L427-I439 HydrophobicContact CG-CD1 4.12Å; L427-I439 HydrophobicContact CG-CG1 4.34Å; L427-M479 HydrophobicContact CB-CE 4.42Å; L427-M479 HydrophobicContact CB-SD 4.35Å; L427-M479 HydrophobicContact CD1-SD 3.81Å; L427-F482 HydrophobicContact CD1-CB 3.95Å; L427-F482 HydrophobicContact CD2-CB 3.92Å; L427-F482 HydrophobicContact CD2-CD2 4.19Å; L427-F482 HydrophobicContact CD2-CG 4.17Å; L427-L486 HydrophobicContact CD1-CD1 4.3Å; L427-L486 HydrophobicContact CD2-CD1 4.31Å
428	G	96.2	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-45.2	171.2	0	0	0	0	0	112.4	P385 L424 E425 E426 K430 Y431 Q432	P385-G428 WeakPolarHBondContact O-CA 3.43Å; L424-G428 PolarHBondContact O-N 3.19Å; E425-G428 PolarHBondContact O-N 2.91Å; E426-G428 VanDerWaalsContact C-N 3.34Å; G428-K430 VanDerWaalsContact C-N 3.33Å; G428-K430 PolarHBondContact O-N 3.44Å; G428-Y431 PolarHBondContact O-N 3.18Å; G428-Q432 WeakPolarHBondContact O-CA 3.26Å; G428-Q432 WeakPolarHBondContact O-CB 3.11Å; G428-Q432 PolarHBondContact O-N 3.28Å
429	M	95.9	Very high	94.3	Very high	103 Å²	103	53.7 Å²	53.7	51%	0.507	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-26.7	176.3	-69.9	-174.4	-64.7	0	0	113.5	P385 E425 E426 L427 Q432	P385-M429 HydrophobicContact CB-CG 3.81Å; P385-M429 HydrophobicContact CG-CG 3.88Å; E425-M429 WeakPolarHBondContact O-CG 3.38Å; E425-M429 PolarHBondContact O-N 3.45Å; E426-M429 HydrophobicContact CB-CE 4.48Å; E426-M429 HydrophobicContact CG-CE 4.13Å; E426-M429 CarbonylContact O-C 3.48Å; E426-M429 PolarHBondContact O-N 3.01Å; L427-M429 VanDerWaalsContact C-N 3.33Å; L427-M429 PolarHBondContact O-N 2.97Å; M429-Q432 WeakPolarHBondContact O-CG 3.46Å
430	K	95.4	Very high	94.5	Very high	102 Å²	102	50 Å²	50	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-69	-43	170.6	-172	-169.3	170.1	-154.3	0	111.2	E426 L427 G428 C483 E487	E426-K430 PolarHBondContact O-N 2.81Å; L427-K430 PolarHBondContact O-N 3.45Å; L427-K430 VanDerWaalsContact O-N 3.15Å; G428-K430 VanDerWaalsContact C-N 3.33Å; G428-K430 PolarHBondContact O-N 3.44Å; K430-C483 WeakPolarHBondContact CD-SG 3.38Å; K430-C483 PolarHBondContact NZ-SG 2.99Å; K430-E487 IonicContact NZ-OE1 2.59Å; K430-E487 PolarHBondContact NZ-OE1 3.45Å
431	Y	94.1	Very high	94.5	Very high	13 Å²	13	50.5 Å²	50.5	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-98.2	-0.3	-172.1	-71.6	-86.3	0	0	0	115.1	L427 G428 N433 H434 V437 I439 L486	L427-Y431 HydrophobicContact CD1-CD2 3.93Å; L427-Y431 HydrophobicContact CD1-CE2 3.7Å; L427-Y431 HydrophobicContact CG-CD2 4.22Å; L427-Y431 HydrophobicContact CG-CE2 4.45Å; L427-Y431 WeakPolarHBondContact O-CD2 3.25Å; L427-Y431 PolarHBondContact O-N 3.45Å; L427-Y431 VanDerWaalsContact O-N 3.07Å; G428-Y431 PolarHBondContact O-N 3.18Å; Y431-N433 PolarHBondContact O-N 3Å; Y431-H434 HydrophobicContact CD1-CB 4.15Å; Y431-H434 AromaticContact CD1-CD2 3.72Å; Y431-H434 AromaticContact CE1-CD2 4Å; Y431-H434 VanDerWaalsContact O-CB 3.24Å; Y431-H434 WeakPolarHBondContact O-CB 3.25Å; Y431-H434 PolarHBondContact O-N 3.33Å; Y431-V437 HydrophobicContact CD1-CB 3.83Å; Y431-V437 HydrophobicContact CD1-CG1 3.62Å; Y431-V437 HydrophobicContact CD1-CG2 4.21Å; Y431-V437 HydrophobicContact CE1-CG1 4.29Å; Y431-V437 HydrophobicContact CE1-CG2 4.42Å; Y431-V437 HydrophobicContact CG-CB 4.43Å; Y431-V437 HydrophobicContact CG-CG1 3.83Å; Y431-I439 HydrophobicContact CD2-CD1 4.36Å; Y431-I439 HydrophobicContact CG-CD1 4.47Å; Y431-L486 HydrophobicContact CD2-CD1 4.18Å; Y431-L486 HydrophobicContact CE2-CD1 3.76Å
432	Q	91.4	Very high	94.5	Very high	121 Å²	121	47.9 Å²	47.9	57%	0.565	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.7	-175.9	60.4	159.2	81.6	0	0	116.1	G428 M429	G428-Q432 WeakPolarHBondContact O-CA 3.26Å; G428-Q432 WeakPolarHBondContact O-CB 3.11Å; G428-Q432 PolarHBondContact O-N 3.28Å; M429-Q432 WeakPolarHBondContact O-CG 3.46Å
433	N	89.9	Confident	94.3	Very high	142 Å²	142	44.4 Å²	44.4	76%	0.759	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	11.2	-179	-58.9	-20.7	0	0	0	112.1	Y431	Y431-N433 PolarHBondContact O-N 3Å
434	H	90.9	Very high	93.9	Very high	75 Å²	75	44.3 Å²	44.3	35%	0.347	22%	0.224	S	C	.	.			trans	-74.1	150.2	177.7	-161.3	-77.4	0	0	0	110.6	Y431 T436 V437	Y431-H434 HydrophobicContact CD1-CB 4.15Å; Y431-H434 AromaticContact CD1-CD2 3.72Å; Y431-H434 AromaticContact CE1-CD2 4Å; Y431-H434 VanDerWaalsContact O-CB 3.24Å; Y431-H434 WeakPolarHBondContact O-CB 3.25Å; Y431-H434 PolarHBondContact O-N 3.33Å; H434-T436 PolarHBondContact ND1-N 2.94Å; H434-V437 HydrophobicContact CB-CB 4.19Å; H434-V437 PolarHBondContact ND1-N 2.98Å
435	S	86.9	Confident	93.3	Very high	90 Å²	90	44.9 Å²	44.9	63%	0.629	23%	0.228	S	C	*	.	S	Bend	trans	-67.4	-50.5	-177.9	46.7	0	0	0	0	113.2	K403	K403-S435 PolarHBondContact NZ-O 2.89Å
436	T	89.2	Confident	92.8	Very high	34 Å²	34	42.4 Å²	42.4	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	-103.9	-51	-177.7	62.6	0	0	0	0	113.7	K403 D404 H434 L438	K403-T436 VanDerWaalsContact CA-O 3.23Å; K403-T436 WeakPolarHBondContact CA-O 3.4Å; K403-T436 WeakPolarHBondContact CB-O 3.35Å; K403-T436 VanDerWaalsContact CD-O 3.3Å; K403-T436 WeakPolarHBondContact CD-O 3.42Å; D404-T436 PolarHBondContact N-O 3.38Å; D404-T436 WeakPolarHBondContact OD2-CB 3.26Å; D404-T436 PolarHBondContact OD2-OG1 2.91Å; H434-T436 PolarHBondContact ND1-N 2.94Å; T436-L438 PolarHBondContact O-N 2.89Å
437	V	93.7	Very high	92.2	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.048	20%	0.195	C	C	.	.			trans	-58.5	128.3	-172.5	179.1	0	0	0	0	113.5	D404 Y431 H434 I439 L486 V490	D404-V437 HydrophobicContact CB-CG2 4.22Å; D404-V437 WeakPolarHBondContact O-CA 3.25Å; Y431-V437 HydrophobicContact CD1-CB 3.83Å; Y431-V437 HydrophobicContact CD1-CG1 3.62Å; Y431-V437 HydrophobicContact CD1-CG2 4.21Å; Y431-V437 HydrophobicContact CE1-CG1 4.29Å; Y431-V437 HydrophobicContact CE1-CG2 4.42Å; Y431-V437 HydrophobicContact CG-CB 4.43Å; Y431-V437 HydrophobicContact CG-CG1 3.83Å; H434-V437 HydrophobicContact CB-CB 4.19Å; H434-V437 PolarHBondContact ND1-N 2.98Å; V437-I439 HydrophobicContact CG1-CD1 3.79Å; V437-L486 HydrophobicContact CG1-CD1 4.3Å; V437-L486 HydrophobicContact CG1-CD2 4.37Å; V437-V490 HydrophobicContact CG2-CG2 3.77Å
438	L	94.9	Very high	91.6	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118	-179.9	-170	179.9	0	0	0	109.5	K387 V397 K403 D404 V405 F406 T436 A440	K387-L438 HydrophobicContact CB-CD2 4.18Å; K387-L438 HydrophobicContact CD-CD1 4.17Å; K387-L438 HydrophobicContact CD-CD2 3.74Å; K387-L438 HydrophobicContact CD-CG 4.08Å; K387-L438 HydrophobicContact CG-CD2 3.87Å; V397-L438 HydrophobicContact CG1-CD1 3.78Å; K403-L438 HydrophobicContact CB-CB 4.48Å; K403-L438 HydrophobicContact CB-CD1 4.46Å; D404-L438 PolarHBondContact O-N 3.38Å; V405-L438 WeakPolarHBondContact CA-O 3.37Å; V405-L438 HydrophobicContact CG1-CB 4.47Å; V405-L438 HydrophobicContact CG1-CD1 4.43Å; V405-L438 HydrophobicContact CG1-CD2 4.18Å; V405-L438 HydrophobicContact CG2-CB 4.2Å; V405-L438 HydrophobicContact CG2-CD1 4.13Å; F406-L438 PolarHBondContact N-O 2.8Å; T436-L438 PolarHBondContact O-N 2.89Å; L438-A440 HydrophobicContact CD2-CB 3.97Å
439	I	97.8	Very high	90.8	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.5	177.8	-48.3	-55.3	0	0	0	110.7	V386 K387 F406 L424 L427 Y431 V437 L486	V386-I439 WeakPolarHBondContact CA-O 3.37Å; V386-I439 HydrophobicContact CG1-CG2 4.28Å; V386-I439 HydrophobicContact CG2-CG2 4.1Å; K387-I439 PolarHBondContact N-O 3.39Å; F406-I439 HydrophobicContact CB-CD1 4Å; F406-I439 HydrophobicContact CD1-CD1 4.28Å; L424-I439 HydrophobicContact CD1-CG2 3.46Å; L424-I439 VanDerWaalsContact CD1-CG2 3.46Å; L424-I439 HydrophobicContact CG-CG2 4.07Å; L427-I439 HydrophobicContact CD2-CD1 4.06Å; L427-I439 HydrophobicContact CD2-CG2 4.38Å; L427-I439 HydrophobicContact CG-CD1 4.12Å; L427-I439 HydrophobicContact CG-CG1 4.34Å; Y431-I439 HydrophobicContact CD2-CD1 4.36Å; Y431-I439 HydrophobicContact CG-CD1 4.47Å; V437-I439 HydrophobicContact CG1-CD1 3.79Å; I439-L486 HydrophobicContact CD1-CD1 3.99Å
440	A	97.5	Very high	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163.8	-173	0	0	0	0	0	114.1	K387 L389 V405 F406 V407 M408 L438	K387-A440 HydrophobicContact CB-CB 4.43Å; K387-A440 CarbonylContact O-C 3.59Å; K387-A440 WeakPolarHBondContact O-CA 3.36Å; K387-A440 WeakPolarHBondContact O-CB 3.39Å; L389-A440 HydrophobicContact CD1-CB 3.92Å; L389-A440 HydrophobicContact CG-CB 4.07Å; V405-A440 HydrophobicContact CG1-CB 4.44Å; F406-A440 PolarHBondContact O-N 3.18Å; V407-A440 WeakPolarHBondContact CA-O 3.11Å; V407-A440 HydrophobicContact CG2-CB 4.26Å; M408-A440 PolarHBondContact N-O 3.17Å; L438-A440 HydrophobicContact CD2-CB 3.97Å
441	K	96.8	Very high	88.5	Confident	32 Å²	32	41.6 Å²	41.6	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140	175.4	63.3	-165.8	154.6	-161.7	0	113.5	V386 K387 L389 M408 Y410 L424 E425	V386-K441 HydrophobicContact CB-CD 4.4Å; V386-K441 HydrophobicContact CG1-CB 4.04Å; V386-K441 HydrophobicContact CG1-CD 3.63Å; V386-K441 HydrophobicContact CG1-CG 3.72Å; K387-K441 PolarHBondContact O-N 3.32Å; L389-K441 PolarHBondContact N-O 3.39Å; M408-K441 HydrophobicContact CB-CB 4.16Å; M408-K441 CarbonylContact O-C 3.57Å; M408-K441 WeakPolarHBondContact O-CA 3.49Å; Y410-K441 HydrophobicContact CD1-CB 3.98Å; Y410-K441 HydrophobicContact CE1-CB 3.72Å; Y410-K441 HydrophobicContact CE1-CD 4.46Å; Y410-K441 HydrophobicContact CE1-CG 3.94Å; L424-K441 HydrophobicContact CD2-CB 3.98Å; L424-K441 HydrophobicContact CD2-CD 4.2Å; E425-K441 IonicContact OE2-NZ 3.68Å; E425-K441 PolarHBondContact OE2-NZ 3.42Å
442	I	94.9	Very high	87.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.4	177.3	-169	155.2	0	0	0	113.7	L389 F394 V407 M408 F409 Y410 I444 N447 I449	L389-I442 HydrophobicContact CB-CB 4.16Å; L389-I442 HydrophobicContact CB-CD1 3.99Å; L389-I442 HydrophobicContact CB-CG1 4.42Å; L389-I442 WeakPolarHBondContact O-CG1 3.42Å; F394-I442 HydrophobicContact CB-CD1 4.1Å; F394-I442 HydrophobicContact CD2-CD1 3.61Å; F394-I442 HydrophobicContact CD2-CG2 4.46Å; F394-I442 HydrophobicContact CE2-CD1 4.42Å; F394-I442 HydrophobicContact CE2-CG2 4.27Å; F394-I442 HydrophobicContact CG-CD1 4.14Å; V407-I442 HydrophobicContact CG1-CG2 3.89Å; M408-I442 PolarHBondContact O-N 2.94Å; F409-I442 HydrophobicContact CD1-CG2 3.39Å; F409-I442 HydrophobicContact CE1-CG2 3.63Å; F409-I442 HydrophobicContact CG-CG2 4.11Å; Y410-I442 VanDerWaalsContact CD1-C 3.48Å; Y410-I442 WeakPolarHBondContact CD1-O 3.38Å; Y410-I442 WeakPolarHBondContact CE1-O 3.26Å; Y410-I442 PolarHBondContact N-O 2.92Å; I442-I444 PolarHBondContact O-N 2.84Å; I442-N447 HydrophobicContact CD1-CB 4.24Å; I442-N447 HydrophobicContact CG1-CB 4.38Å; I442-I449 HydrophobicContact CB-CD1 4.45Å; I442-I449 HydrophobicContact CD1-CD1 3.55Å; I442-I449 HydrophobicContact CD1-CG1 4.1Å; I442-I449 HydrophobicContact CG1-CD1 3.92Å; I442-I449 HydrophobicContact CG2-CD1 3.71Å
443	D	92.1	Very high	86	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	95.8	171.1	177.8	-4.8	0	0	0	109.4	K369 Y410 P412 T445 A446 N447	K369-D443 IonicContact NZ-OD2 2.9Å; Y410-D443 HydrophobicContact CE2-CB 4.27Å; Y410-D443 WeakPolarHBondContact O-CA 3.48Å; P412-D443 WeakPolarHBondContact CD-OD1 3.45Å; P412-D443 HydrophobicContact CG-CB 4.43Å; P412-D443 VanDerWaalsContact CG-OD2 3.26Å; P412-D443 WeakPolarHBondContact CG-OD2 3.25Å; D443-T445 PolarHBondContact O-N 2.87Å; D443-T445 WeakPolarHBondContact OD1-CA 3.25Å; D443-T445 VanDerWaalsContact OD1-CB 3.28Å; D443-T445 WeakPolarHBondContact OD1-CB 3.48Å; D443-T445 PolarHBondContact OD1-N 3.44Å; D443-T445 PolarHBondContact OD1-OG1 3.37Å; D443-A446 HydrophobicContact CB-CB 4.44Å; D443-A446 PolarHBondContact O-N 3.46Å; D443-A446 PolarHBondContact OD1-N 3.4Å; D443-A446 VanDerWaalsContact OD2-CB 3.22Å; D443-A446 WeakPolarHBondContact OD2-CB 3.47Å; D443-N447 WeakPolarHBondContact O-CB 3.4Å; D443-N447 PolarHBondContact O-N 3.03Å; D443-N447 VanDerWaalsContact O-N 3.16Å; D443-N447 PolarHBondContact O-ND2 3Å
444	I	88.3	Confident	85.1	Confident	25 Å²	25	41 Å²	41	13%	0.128	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.2	176.6	164.6	172.1	0	0	0	111.8	F409 Y410 I442 Y457 F459	F409-I444 HydrophobicContact CB-CG2 4.17Å; Y410-I444 WeakPolarHBondContact O-CG2 3.28Å; Y410-I444 PolarHBondContact O-N 2.94Å; I442-I444 PolarHBondContact O-N 2.84Å; I444-Y457 HydrophobicContact CG2-CD1 4Å; I444-F459 HydrophobicContact CD1-CE1 3.89Å; I444-F459 HydrophobicContact CD1-CZ 4.21Å
445	T	83.8	Confident	84.6	Confident	14 Å²	14	39.4 Å²	39.4	9%	0.086	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-39.7	177.9	80.9	0	0	0	0	111.2	K345 H371 A411 W413 D443 Y457	K345-T445 VanDerWaalsContact CD-O 3.31Å; K345-T445 WeakPolarHBondContact CD-O 3.44Å; K345-T445 WeakPolarHBondContact CE-O 3.32Å; K345-T445 PolarHBondContact NZ-O 2.83Å; H371-T445 PolarHBondContact CE1-O 3.17Å; H371-T445 VanDerWaalsContact CE1-O 3.31Å; H371-T445 PolarHBondContact ND1-O 2.74Å; A411-T445 HydrophobicContact CB-CG2 3.49Å; A411-T445 VanDerWaalsContact CB-CG2 3.49Å; W413-T445 VanDerWaalsContact CH2-CB 3.47Å; W413-T445 HydrophobicContact CH2-CG2 3.57Å; W413-T445 VanDerWaalsContact CH2-OG1 3.3Å; W413-T445 WeakPolarHBondContact CH2-OG1 3.43Å; W413-T445 HydrophobicContact CZ2-CG2 3.66Å; W413-T445 HydrophobicContact CZ3-CG2 4.29Å; W413-T445 WeakPolarHBondContact CZ3-OG1 3.48Å; D443-T445 PolarHBondContact O-N 2.87Å; D443-T445 WeakPolarHBondContact OD1-CA 3.25Å; D443-T445 VanDerWaalsContact OD1-CB 3.28Å; D443-T445 WeakPolarHBondContact OD1-CB 3.48Å; D443-T445 PolarHBondContact OD1-N 3.44Å; D443-T445 PolarHBondContact OD1-OG1 3.37Å; T445-Y457 HydrophobicContact CG2-CE1 4.46Å
446	A	85.6	Confident	84.4	Confident	8 Å²	8	41.5 Å²	41.5	7%	0.066	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.7	-176.3	0	0	0	0	0	115.3	E375 D443	E375-A446 HydrophobicContact CG-CB 3.82Å; D443-A446 HydrophobicContact CB-CB 4.44Å; D443-A446 PolarHBondContact O-N 3.46Å; D443-A446 PolarHBondContact OD1-N 3.4Å; D443-A446 VanDerWaalsContact OD2-CB 3.22Å; D443-A446 WeakPolarHBondContact OD2-CB 3.47Å
447	N	85.6	Confident	84.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.223	C	C	.	.	S	Bend	trans	-131.6	128.7	179.6	-59.5	-87.1	0	0	0	109.8	S374 E375 V390 G391 I442 D443 I449	S374-N447 WeakPolarHBondContact CA-OD1 3.49Å; S374-N447 PolarHBondContact OG-OD1 3.15Å; E375-N447 PolarHBondContact N-OD1 3.3Å; V390-N447 WeakPolarHBondContact CA-OD1 3.4Å; V390-N447 WeakPolarHBondContact CB-OD1 3.49Å; G391-N447 PolarHBondContact N-OD1 3.19Å; I442-N447 HydrophobicContact CD1-CB 4.24Å; I442-N447 HydrophobicContact CG1-CB 4.38Å; D443-N447 WeakPolarHBondContact O-CB 3.4Å; D443-N447 PolarHBondContact O-N 3.03Å; D443-N447 VanDerWaalsContact O-N 3.16Å; D443-N447 PolarHBondContact O-ND2 3Å; N447-I449 HydrophobicContact CB-CG1 4.41Å; N447-I449 PolarHBondContact O-N 2.96Å
448	D	82.8	Confident	84.3	Confident	37 Å²	37	42.2 Å²	42.2	20%	0.198	23%	0.226	C	C	.	.			trans	-89.9	96.4	178.5	-66.6	-28.7	0	0	0	109.7	R324 K345 H371 S373	R324-D448 WeakPolarHBondContact CD-OD2 3.4Å; R324-D448 IonicContact CZ-OD2 2.71Å; R324-D448 IonicContact NE-OD2 2.66Å; R324-D448 IonicContact NH1-OD2 3.29Å; R324-D448 PolarHBondContact NH1-OD2 3.37Å; K345-D448 IonicContact NZ-OD1 3.3Å; H371-D448 IonicContact CD2-OD1 3.61Å; H371-D448 IonicContact CE1-OD1 2.58Å; H371-D448 PolarHBondContact CE1-OD1 3.39Å; H371-D448 VanDerWaalsContact CE1-OD1 3.3Å; H371-D448 VanDerWaalsContact NE2-CG 3.3Å; H371-D448 IonicContact NE2-OD1 3.51Å; H371-D448 PolarHBondContact NE2-OD1 2.92Å; H371-D448 IonicContact NE2-OD2 3.42Å; H371-D448 PolarHBondContact NE2-OD2 2.95Å; S373-D448 PolarHBondContact O-N 2.79Å
449	I	79.6	Confident	84.3	Confident	34 Å²	34	42.3 Å²	42.3	17%	0.174	23%	0.226	C	C	.	.			trans	-96.6	139.3	-178.2	-46.1	168.5	0	0	0	109.7	F394 F409 I442 N447 L451	F394-I449 HydrophobicContact CD1-CG2 3.6Å; F394-I449 HydrophobicContact CD2-CD1 4.39Å; F394-I449 HydrophobicContact CE1-CG2 3.35Å; F394-I449 HydrophobicContact CE2-CD1 4.31Å; F394-I449 HydrophobicContact CE2-CG2 4.4Å; F394-I449 HydrophobicContact CG-CG2 4.24Å; F394-I449 HydrophobicContact CZ-CG2 3.8Å; F409-I449 HydrophobicContact CD1-CD1 3.96Å; F409-I449 HydrophobicContact CE1-CD1 3.82Å; I442-I449 HydrophobicContact CB-CD1 4.45Å; I442-I449 HydrophobicContact CD1-CD1 3.55Å; I442-I449 HydrophobicContact CD1-CG1 4.1Å; I442-I449 HydrophobicContact CG1-CD1 3.92Å; I442-I449 HydrophobicContact CG2-CD1 3.71Å; N447-I449 HydrophobicContact CB-CG1 4.41Å; N447-I449 PolarHBondContact O-N 2.96Å; I449-L451 HydrophobicContact CB-CG 4.25Å; I449-L451 HydrophobicContact CG2-CD1 4.5Å; I449-L451 HydrophobicContact CG2-CD2 3.86Å; I449-L451 HydrophobicContact CG2-CG 3.83Å; I449-L451 PolarHBondContact O-N 3.41Å
450	Q	72	Confident	84.1	Confident	191 Å²	191	42.1 Å²	42.1	89%	0.893	23%	0.225	S	C	*	.			trans	-83.7	106.9	166.7	-63.9	-176.4	13.4	0	0	108.9
451	L	70.1	Confident	84	Confident	29 Å²	29	42.8 Å²	42.8	15%	0.152	23%	0.228	C	C	.	.			trans	-119.7	131.4	175.3	-64.4	173.7	0	0	0	109.2	F394 F409 I449 N453 F459 F463	F394-L451 HydrophobicContact CE1-CD2 4.44Å; F394-L451 HydrophobicContact CZ-CD2 4.17Å; F409-L451 HydrophobicContact CD1-CD1 3.92Å; F409-L451 HydrophobicContact CE1-CD1 3.71Å; F409-L451 HydrophobicContact CE1-CD2 3.98Å; F409-L451 HydrophobicContact CE1-CG 4.43Å; F409-L451 HydrophobicContact CZ-CD1 4.3Å; F409-L451 HydrophobicContact CZ-CD2 4.06Å; I449-L451 HydrophobicContact CB-CG 4.25Å; I449-L451 HydrophobicContact CG2-CD1 4.5Å; I449-L451 HydrophobicContact CG2-CD2 3.86Å; I449-L451 HydrophobicContact CG2-CG 3.83Å; I449-L451 PolarHBondContact O-N 3.41Å; L451-N453 PolarHBondContact O-N 2.85Å; L451-F459 HydrophobicContact CD1-CE2 4.15Å; L451-F459 HydrophobicContact CD1-CZ 3.74Å; L451-F463 HydrophobicContact CD2-CZ 4.21Å
452	A	67	Low	83.8	Confident	77 Å²	77	41.3 Å²	41.3	64%	0.636	22%	0.221	S	C	*	.	S	Bend	trans	-65.5	120.2	167.7	0	0	0	0	0	109.1	R461	A452-R461 PolarHBondContact O-NH1 2.88Å; A452-R461 PolarHBondContact O-NH2 2.86Å
453	N	65.9	Low	83.7	Confident	139 Å²	139	41.7 Å²	41.7	74%	0.743	22%	0.223	S	C	*	.	S	Bend	trans	52.7	77.3	-176	-54	-37.4	0	0	0	112.8	L451 R461	L451-N453 PolarHBondContact O-N 2.85Å; N453-R461 PolarHBondContact O-NH2 3.45Å
454	P	71.6	Confident	83.6	Confident	47 Å²	47	42 Å²	42	31%	0.305	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-64.3	137.8	-179.5	27.6	-35.1	0	0	0	112	V328	V328-P454 WeakPolarHBondContact CG1-O 3.45Å; V328-P454 HydrophobicContact CG2-CB 4.26Å; V328-P454 HydrophobicContact CG2-CG 4.39Å; V328-P454 WeakPolarHBondContact CG2-O 3.31Å
455	D	80.1	Confident	83.4	Confident	42 Å²	42	41.5 Å²	41.5	23%	0.225	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-100.3	168.4	178.9	-59	-69.8	0	0	0	112.5	F459 R461 L472	D455-F459 HydrophobicContact CB-CB 3.97Å; D455-F459 HydrophobicContact CB-CD1 3.69Å; D455-F459 HydrophobicContact CB-CD2 4.01Å; D455-F459 HydrophobicContact CB-CE1 4.09Å; D455-F459 HydrophobicContact CB-CE2 4.38Å; D455-F459 HydrophobicContact CB-CG 3.65Å; D455-F459 HydrophobicContact CB-CZ 4.42Å; D455-F459 WeakPolarHBondContact O-CD1 3.16Å; D455-F459 WeakPolarHBondContact O-CE1 3.27Å; D455-R461 IonicContact OD2-CZ 2.81Å; D455-R461 IonicContact OD2-NE 2.77Å; D455-R461 IonicContact OD2-NH2 2.61Å; D455-R461 PolarHBondContact OD2-NH2 3.38Å; D455-L472 VanDerWaalsContact OD2-CD1 3.32Å; D455-L472 WeakPolarHBondContact OD2-CD1 3.49Å
456	Q	83.9	Confident	83.1	Confident	133 Å²	133	45.7 Å²	45.7	62%	0.621	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-80.5	136.1	172.1	-166.9	177.2	22.3	0	0	110.6	V328	V328-Q456 HydrophobicContact CB-CB 4.35Å
457	Y	88.1	Confident	82.7	Confident	40 Å²	40	46.9 Å²	46.9	16%	0.157	25%	0.253	C	S	.	.	S	Bend	trans	-76.2	152.6	-179.3	48	-100.3	0	0	0	113.3	D349 F409 A411 I444 T445	D349-Y457 PolarHBondContact OD1-OH 3.17Å; F409-Y457 WeakPolarHBondContact O-CB 3.41Å; A411-Y457 HydrophobicContact CB-CD1 4.29Å; A411-Y457 HydrophobicContact CB-CD2 3.54Å; A411-Y457 HydrophobicContact CB-CE1 4.13Å; A411-Y457 HydrophobicContact CB-CE2 3.35Å; A411-Y457 HydrophobicContact CB-CG 4.02Å; I444-Y457 HydrophobicContact CG2-CD1 4Å; T445-Y457 HydrophobicContact CG2-CE1 4.46Å
458	P	92.4	Very high	82.1	Confident	18 Å²	18	55.2 Å²	55.2	12%	0.117	29%	0.292	C	S	.	.	S	Bend	cis	-72.4	133.6	-7.8	29.9	-33.7	0	0	0	111.9	M408 F409 K416 L420	M408-P458 HydrophobicContact CE-CB 3.72Å; F409-P458 WeakPolarHBondContact O-CA 3.42Å; K416-P458 HydrophobicContact CB-CG 4.08Å; L420-P458 HydrophobicContact CD1-CB 3.94Å; L420-P458 HydrophobicContact CD1-CG 3.68Å
459	F	93.7	Very high	82	Confident	12 Å²	12	61.2 Å²	61.2	5%	0.053	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.3	168.4	70.5	-91.3	0	0	0	110.2	F409 I444 L451 D455 R461	F409-F459 HydrophobicContact CB-CD1 3.81Å; F409-F459 HydrophobicContact CB-CD2 4.04Å; F409-F459 HydrophobicContact CB-CE1 3.45Å; F409-F459 VanDerWaalsContact CB-CE1 3.45Å; F409-F459 HydrophobicContact CB-CE2 3.7Å; F409-F459 HydrophobicContact CB-CG 4.09Å; F409-F459 HydrophobicContact CB-CZ 3.39Å; F409-F459 HydrophobicContact CD1-CE2 4.09Å; F409-F459 AromaticContact CD1-CZ 3.88Å; F409-F459 HydrophobicContact CD1-CZ 3.88Å; F409-F459 AromaticContact CD2-CD2 3.63Å; F409-F459 HydrophobicContact CD2-CD2 3.63Å; F409-F459 AromaticContact CD2-CE2 3.26Å; F409-F459 HydrophobicContact CD2-CE2 3.26Å; F409-F459 HydrophobicContact CD2-CG 4.44Å; F409-F459 AromaticContact CD2-CZ 3.83Å; F409-F459 HydrophobicContact CD2-CZ 3.83Å; F409-F459 HydrophobicContact CE2-CD2 4.4Å; F409-F459 AromaticContact CE2-CE2 3.88Å; F409-F459 HydrophobicContact CE2-CE2 3.88Å; F409-F459 HydrophobicContact CG-CD2 4.02Å; F409-F459 HydrophobicContact CG-CE1 4.04Å; F409-F459 AromaticContact CG-CE2 3.4Å; F409-F459 HydrophobicContact CG-CE2 3.4Å; F409-F459 AromaticContact CG-CZ 3.41Å; F409-F459 HydrophobicContact CG-CZ 3.41Å; F409-F459 VanDerWaalsContact CG-CZ 3.41Å; F409-F459 HydrophobicContact CZ-CE2 4.5Å; F409-F459 PolarHBondContact N-O 3.27Å; F409-F459 PolarHBondContact O-N 3.22Å; I444-F459 HydrophobicContact CD1-CE1 3.89Å; I444-F459 HydrophobicContact CD1-CZ 4.21Å; L451-F459 HydrophobicContact CD1-CE2 4.15Å; L451-F459 HydrophobicContact CD1-CZ 3.74Å; D455-F459 HydrophobicContact CB-CB 3.97Å; D455-F459 HydrophobicContact CB-CD1 3.69Å; D455-F459 HydrophobicContact CB-CD2 4.01Å; D455-F459 HydrophobicContact CB-CE1 4.09Å; D455-F459 HydrophobicContact CB-CE2 4.38Å; D455-F459 HydrophobicContact CB-CG 3.65Å; D455-F459 HydrophobicContact CB-CZ 4.42Å; D455-F459 WeakPolarHBondContact O-CD1 3.16Å; D455-F459 WeakPolarHBondContact O-CE1 3.27Å; F459-R461 HydrophobicContact CD2-CG 4.21Å; F459-R461 HydrophobicContact CE2-CG 4.28Å
460	F	95.1	Very high	82.4	Confident	2 Å²	2	61 Å²	61	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.4	-175.6	-56	-101.8	0	0	0	110.3	F406 V407 M408 L420 L424 Y473 H477 F482	F406-F460 HydrophobicContact CE1-CB 4.23Å; F406-F460 AromaticContact CE1-CD1 3.74Å; F406-F460 HydrophobicContact CE1-CD1 3.74Å; F406-F460 HydrophobicContact CE1-CG 4.3Å; F406-F460 HydrophobicContact CE2-CB 3.88Å; F406-F460 HydrophobicContact CZ-CB 3.54Å; F406-F460 AromaticContact CZ-CD1 3.9Å; F406-F460 HydrophobicContact CZ-CD1 3.9Å; F406-F460 AromaticContact CZ-CG 3.96Å; F406-F460 HydrophobicContact CZ-CG 3.96Å; V407-F460 VanDerWaalsContact O-CA 3.31Å; V407-F460 WeakPolarHBondContact O-CA 3.48Å; M408-F460 HydrophobicContact CB-CD1 3.73Å; M408-F460 HydrophobicContact CB-CE1 3.54Å; M408-F460 HydrophobicContact CB-CZ 4.4Å; M408-F460 HydrophobicContact CE-CZ 4.2Å; M408-F460 HydrophobicContact CG-CD1 4.01Å; M408-F460 HydrophobicContact CG-CE1 3.48Å; M408-F460 VanDerWaalsContact CG-CE1 3.48Å; M408-F460 HydrophobicContact CG-CZ 3.84Å; M408-F460 HydrophobicContact SD-CE1 4.24Å; M408-F460 HydrophobicContact SD-CZ 4.36Å; L420-F460 HydrophobicContact CD1-CE2 4Å; L420-F460 HydrophobicContact CD1-CZ 3.92Å; L424-F460 HydrophobicContact CD1-CE1 4.25Å; F460-Y473 HydrophobicContact CB-CD1 4.48Å; F460-Y473 HydrophobicContact CB-CG 4.33Å; F460-Y473 HydrophobicContact CD2-CD1 4.49Å; F460-Y473 VanDerWaalsContact O-CB 3.31Å; F460-Y473 WeakPolarHBondContact O-CB 3.21Å; F460-Y473 PolarHBondContact O-N 3.41Å; F460-H477 AromaticContact CD2-CD2 3.93Å; F460-H477 AromaticContact CD2-NE2 3.64Å; F460-H477 AromaticContact CE2-CD2 3.58Å; F460-H477 AromaticContact CE2-CE1 4Å; F460-H477 AromaticContact CE2-NE2 3.46Å; F460-H477 WeakPolarHBondContact CE2-NE2 3.33Å; F460-F482 HydrophobicContact CD1-CE1 4.24Å; F460-F482 HydrophobicContact CD1-CZ 4.26Å; F460-F482 HydrophobicContact CD2-CE1 4.07Å; F460-F482 HydrophobicContact CD2-CZ 4.16Å; F460-F482 HydrophobicContact CE1-CE1 4.3Å; F460-F482 AromaticContact CE1-CZ 3.85Å; F460-F482 HydrophobicContact CE1-CZ 3.85Å; F460-F482 HydrophobicContact CE2-CE1 4.16Å; F460-F482 AromaticContact CE2-CZ 3.78Å; F460-F482 HydrophobicContact CE2-CZ 3.78Å; F460-F482 HydrophobicContact CG-CE1 4.13Å; F460-F482 HydrophobicContact CG-CZ 4.41Å; F460-F482 HydrophobicContact CZ-CE1 4.28Å; F460-F482 HydrophobicContact CZ-CE2 4.45Å; F460-F482 AromaticContact CZ-CZ 3.61Å; F460-F482 HydrophobicContact CZ-CZ 3.61Å
461	R	93.8	Very high	83.3	Confident	13 Å²	13	54.5 Å²	54.5	5%	0.049	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.7	171.1	-58.6	-163.3	172.3	-169.2	-0.5	111.2	F406 V407 F409 A452 N453 D455 F459 F463 A470 V471 L472	F406-R461 WeakPolarHBondContact CA-O 3.4Å; V407-R461 PolarHBondContact N-O 3.24Å; V407-R461 PolarHBondContact O-N 2.75Å; V407-R461 VanDerWaalsContact O-N 3.08Å; F409-R461 HydrophobicContact CE2-CB 4.05Å; F409-R461 HydrophobicContact CE2-CG 4.11Å; A452-R461 PolarHBondContact O-NH1 2.88Å; A452-R461 PolarHBondContact O-NH2 2.86Å; N453-R461 PolarHBondContact O-NH2 3.45Å; D455-R461 IonicContact OD2-CZ 2.81Å; D455-R461 IonicContact OD2-NE 2.77Å; D455-R461 IonicContact OD2-NH2 2.61Å; D455-R461 PolarHBondContact OD2-NH2 3.38Å; F459-R461 HydrophobicContact CD2-CG 4.21Å; F459-R461 HydrophobicContact CE2-CG 4.28Å; R461-F463 HydrophobicContact CB-CD2 4.46Å; R461-F463 HydrophobicContact CB-CE2 3.91Å; R461-F463 HydrophobicContact CB-CZ 4.48Å; R461-A470 HydrophobicContact CB-CB 4.45Å; R461-V471 VanDerWaalsContact CA-O 3.31Å; R461-V471 WeakPolarHBondContact CA-O 3.47Å; R461-L472 HydrophobicContact CG-CD1 4.19Å
462	L	94	Very high	84.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.9	164.3	-173.3	63.8	0	0	0	108.5	D404 F406 P464 A470 V471 F485 L486 N489	D404-L462 HydrophobicContact CB-CD1 4.17Å; F406-L462 HydrophobicContact CB-CD1 4.14Å; F406-L462 HydrophobicContact CD2-CB 4.28Å; F406-L462 HydrophobicContact CD2-CD1 4.4Å; L462-P464 HydrophobicContact CD2-CB 4.24Å; L462-P464 HydrophobicContact CG-CB 4.25Å; L462-P464 WeakPolarHBondContact O-CD 3.41Å; L462-A470 CarbonylContact O-C 3.58Å; L462-A470 VanDerWaalsContact O-CA 3.32Å; L462-A470 WeakPolarHBondContact O-CA 3.35Å; L462-V471 HydrophobicContact CB-CB 4.37Å; L462-V471 PolarHBondContact N-O 2.93Å; L462-V471 PolarHBondContact O-N 2.91Å; L462-F485 HydrophobicContact CB-CE1 3.98Å; L462-F485 HydrophobicContact CB-CZ 4.23Å; L462-F485 HydrophobicContact CD2-CE1 4.28Å; L462-L486 HydrophobicContact CD1-CD2 3.95Å; L462-N489 HydrophobicContact CD2-CB 3.51Å
463	F	92.2	Very high	85.5	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	94.7	164.4	-60.9	-106.7	0	0	0	105.2	F394 V398 F399 V405 V407 F409 L451 R461 A470	F394-F463 HydrophobicContact CE1-CZ 4.36Å; F394-F463 HydrophobicContact CZ-CE1 4.28Å; F394-F463 HydrophobicContact CZ-CE2 4.19Å; F394-F463 AromaticContact CZ-CZ 3.69Å; F394-F463 HydrophobicContact CZ-CZ 3.69Å; V398-F463 HydrophobicContact CB-CB 4.07Å; V398-F463 HydrophobicContact CB-CD1 3.85Å; V398-F463 HydrophobicContact CB-CD2 3.98Å; V398-F463 HydrophobicContact CB-CE1 4.29Å; V398-F463 HydrophobicContact CB-CE2 4.42Å; V398-F463 HydrophobicContact CB-CG 3.71Å; V398-F463 HydrophobicContact CG1-CD2 4.24Å; V398-F463 HydrophobicContact CG1-CE2 4.4Å; V398-F463 HydrophobicContact CG1-CG 4.46Å; V398-F463 HydrophobicContact CG2-CD1 3.74Å; V398-F463 HydrophobicContact CG2-CE1 3.89Å; V398-F463 HydrophobicContact CG2-CG 4.15Å; V398-F463 HydrophobicContact CG2-CZ 4.42Å; V398-F463 WeakPolarHBondContact O-CB 3.37Å; F399-F463 HydrophobicContact CD1-CD1 4.42Å; F399-F463 AromaticContact CE1-CD1 3.84Å; F399-F463 HydrophobicContact CE1-CD1 3.84Å; F399-F463 HydrophobicContact CE1-CE1 4.26Å; F399-F463 HydrophobicContact CZ-CD1 4.32Å; F399-F463 HydrophobicContact CZ-CE1 4.31Å; V405-F463 HydrophobicContact CB-CB 4.41Å; V405-F463 PolarHBondContact N-O 3.02Å; V405-F463 PolarHBondContact O-N 2.83Å; V407-F463 HydrophobicContact CB-CE2 4.31Å; V407-F463 HydrophobicContact CG2-CD2 3.96Å; V407-F463 HydrophobicContact CG2-CE2 3.94Å; F409-F463 HydrophobicContact CE2-CE2 4.23Å; F409-F463 AromaticContact CZ-CE2 3.88Å; F409-F463 HydrophobicContact CZ-CE2 3.88Å; F409-F463 HydrophobicContact CZ-CZ 4.01Å; L451-F463 HydrophobicContact CD2-CZ 4.21Å; R461-F463 HydrophobicContact CB-CD2 4.46Å; R461-F463 HydrophobicContact CB-CE2 3.91Å; R461-F463 HydrophobicContact CB-CZ 4.48Å; F463-A470 HydrophobicContact CD1-CB 3.61Å; F463-A470 HydrophobicContact CD2-CB 4.42Å; F463-A470 HydrophobicContact CE1-CB 3.46Å; F463-A470 VanDerWaalsContact CE1-CB 3.46Å; F463-A470 HydrophobicContact CE2-CB 4.28Å; F463-A470 HydrophobicContact CG-CB 4.09Å; F463-A470 HydrophobicContact CZ-CB 3.79Å
464	P	89.8	Confident	86.8	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.065	28%	0.276	C	S	.	.			trans	-80.5	152.4	-171.5	33	-33.3	0	0	0	110.9	L462 D466 S467 V471	L462-P464 HydrophobicContact CD2-CB 4.24Å; L462-P464 HydrophobicContact CG-CB 4.25Å; L462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-D466 PolarHBondContact O-N 3.34Å; P464-S467 WeakPolarHBondContact O-CB 3.44Å; P464-S467 PolarHBondContact O-N 2.66Å; P464-V471 HydrophobicContact CG-CG2 4.36Å
465	T	85	Confident	87.7	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.098	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	131.4	-172	-54.1	0	0	0	0	112	K401 K403 D404 S467 R493	K401-T465 WeakPolarHBondContact O-CG2 3.22Å; K403-T465 PolarHBondContact O-OG1 2.87Å; D404-T465 PolarHBondContact N-OG1 2.63Å; D404-T465 WeakPolarHBondContact OD1-CB 3.35Å; D404-T465 PolarHBondContact OD1-N 2.8Å; D404-T465 PolarHBondContact OD1-OG1 2.84Å; T465-S467 PolarHBondContact O-N 3.09Å; T465-R493 PolarHBondContact O-NH1 2.6Å; T465-R493 PolarHBondContact O-NH2 3.24Å
466	D	76.1	Confident	88.4	Confident	101 Å²	101	59.3 Å²	59.3	54%	0.54	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	10.7	-179.3	-109.2	-36.2	0	0	0	117.7	K401 P464	K401-D466 WeakPolarHBondContact CE-OD1 3.46Å; K401-D466 IonicContact NZ-OD1 2.62Å; K401-D466 PolarHBondContact NZ-OD1 3.12Å; K401-D466 IonicContact NZ-OD2 3.33Å; K401-D466 PolarHBondContact NZ-OD2 2.67Å; P464-D466 PolarHBondContact O-N 3.34Å
467	S	77.8	Confident	88.9	Confident	33 Å²	33	56.7 Å²	56.7	23%	0.231	29%	0.291	C	S	.	.			trans	-99.6	143.7	168.7	-175.2	0	0	0	0	112.2	P464 T465 E469	P464-S467 WeakPolarHBondContact O-CB 3.44Å; P464-S467 PolarHBondContact O-N 2.66Å; T465-S467 PolarHBondContact O-N 3.09Å; S467-E469 PolarHBondContact OG-N 3.38Å; S467-E469 PolarHBondContact OG-O 3.32Å
468	Q	72.3	Confident	89.2	Confident	177 Å²	177	57 Å²	57	83%	0.827	30%	0.297	S	S	*	.	S	Bend	trans	-92.6	-10.6	164.5	-63.2	-171.1	10.3	0	0	112.7
469	E	80.9	Confident	89.3	Confident	163 Å²	163	58.8 Å²	58.8	76%	0.762	30%	0.304	S	S	*	.	S	Bend	trans	-91.5	121.7	177.7	-61.9	-153.7	160.6	0	0	111.5	S467	S467-E469 PolarHBondContact OG-N 3.38Å; S467-E469 PolarHBondContact OG-O 3.32Å
470	A	88.4	Confident	89.4	Confident	30 Å²	30	64.2 Å²	64.2	25%	0.248	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-90.6	120.2	-178.2	0	0	0	0	0	111.8	R461 L462 F463 L472	R461-A470 HydrophobicContact CB-CB 4.45Å; L462-A470 CarbonylContact O-C 3.58Å; L462-A470 VanDerWaalsContact O-CA 3.32Å; L462-A470 WeakPolarHBondContact O-CA 3.35Å; F463-A470 HydrophobicContact CD1-CB 3.61Å; F463-A470 HydrophobicContact CD2-CB 4.42Å; F463-A470 HydrophobicContact CE1-CB 3.46Å; F463-A470 VanDerWaalsContact CE1-CB 3.46Å; F463-A470 HydrophobicContact CE2-CB 4.28Å; F463-A470 HydrophobicContact CG-CB 4.09Å; F463-A470 HydrophobicContact CZ-CB 3.79Å; A470-L472 PolarHBondContact O-N 3.05Å
471	V	90.4	Very high	89.4	Confident	54 Å²	54	66.4 Å²	66.4	33%	0.327	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.7	179.4	-174	0	0	0	0	109.9	R461 L462 P464 F485	R461-V471 VanDerWaalsContact CA-O 3.31Å; R461-V471 WeakPolarHBondContact CA-O 3.47Å; L462-V471 HydrophobicContact CB-CB 4.37Å; L462-V471 PolarHBondContact N-O 2.93Å; L462-V471 PolarHBondContact O-N 2.91Å; P464-V471 HydrophobicContact CG-CG2 4.36Å; V471-F485 HydrophobicContact CG1-CE2 4.19Å; V471-F485 HydrophobicContact CG1-CZ 3.98Å
472	L	90.9	Very high	89.5	Confident	52 Å²	52	65.8 Å²	65.8	27%	0.272	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.1	175.9	175.6	59.6	0	0	0	111.1	D455 R461 A470 K474	D455-L472 VanDerWaalsContact OD2-CD1 3.32Å; D455-L472 WeakPolarHBondContact OD2-CD1 3.49Å; R461-L472 HydrophobicContact CG-CD1 4.19Å; A470-L472 PolarHBondContact O-N 3.05Å; L472-K474 HydrophobicContact CG-CG 4.27Å
473	Y	93.6	Very high	89.5	Confident	14 Å²	14	66.2 Å²	66.2	6%	0.055	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-69.8	133.9	171.3	-173.5	-101.1	0	0	0	111.2	F406 F460 G475 E476 H477 D481 F482 F485	F406-Y473 HydrophobicContact CE2-CD2 4.29Å; F406-Y473 HydrophobicContact CE2-CG 4.46Å; F406-Y473 HydrophobicContact CZ-CD2 4.31Å; F406-Y473 HydrophobicContact CZ-CG 4.39Å; F460-Y473 HydrophobicContact CB-CD1 4.48Å; F460-Y473 HydrophobicContact CB-CG 4.33Å; F460-Y473 HydrophobicContact CD2-CD1 4.49Å; F460-Y473 VanDerWaalsContact O-CB 3.31Å; F460-Y473 WeakPolarHBondContact O-CB 3.21Å; F460-Y473 PolarHBondContact O-N 3.41Å; Y473-G475 VanDerWaalsContact CE1-C 3.48Å; Y473-G475 WeakPolarHBondContact CE1-O 3.21Å; Y473-E476 PolarHBondContact OH-O 2.98Å; Y473-H477 AromaticContact CE1-CD2 3.99Å; Y473-D481 WeakPolarHBondContact OH-CB 3.35Å; Y473-D481 PolarHBondContact OH-O 3.3Å; Y473-F482 HydrophobicContact CD1-CD1 4.38Å; Y473-F482 AromaticContact CD1-CE1 3.91Å; Y473-F482 HydrophobicContact CD1-CE1 3.91Å; Y473-F482 HydrophobicContact CD2-CD1 4.4Å; Y473-F482 AromaticContact CE1-CD1 3.79Å; Y473-F482 HydrophobicContact CE1-CD1 3.79Å; Y473-F482 AromaticContact CE1-CE1 3.47Å; Y473-F482 HydrophobicContact CE1-CE1 3.47Å; Y473-F482 VanDerWaalsContact CE1-CE1 3.47Å; Y473-F482 AromaticContact CE2-CD1 3.82Å; Y473-F482 HydrophobicContact CE2-CD1 3.82Å; Y473-F482 HydrophobicContact CE2-CE1 4.31Å; Y473-F482 HydrophobicContact CG-CE1 4.49Å; Y473-F482 AromaticContact CZ-CD1 3.48Å; Y473-F482 VanDerWaalsContact CZ-CD1 3.48Å; Y473-F482 AromaticContact CZ-CE1 3.7Å; Y473-F482 PolarHBondContact OH-N 3.36Å; Y473-F485 HydrophobicContact CD2-CB 4.1Å; Y473-F485 AromaticContact CD2-CD1 3.6Å; Y473-F485 HydrophobicContact CD2-CD1 3.6Å; Y473-F485 AromaticContact CD2-CD2 3.83Å; Y473-F485 HydrophobicContact CD2-CD2 3.83Å; Y473-F485 AromaticContact CD2-CE1 3.88Å; Y473-F485 HydrophobicContact CD2-CE1 3.88Å; Y473-F485 HydrophobicContact CD2-CE2 4.1Å; Y473-F485 AromaticContact CD2-CG 3.57Å; Y473-F485 HydrophobicContact CD2-CG 3.57Å; Y473-F485 HydrophobicContact CD2-CZ 4.13Å; Y473-F485 HydrophobicContact CE2-CB 3.65Å; Y473-F485 AromaticContact CE2-CD1 3.99Å; Y473-F485 HydrophobicContact CE2-CD1 3.99Å; Y473-F485 HydrophobicContact CE2-CD2 4.14Å; Y473-F485 AromaticContact CE2-CG 3.67Å; Y473-F485 HydrophobicContact CE2-CG 3.67Å
474	K	92.1	Very high	89.6	Confident	181 Å²	181	68.8 Å²	68.8	79%	0.787	35%	0.354	S	S	*	.			trans	-132.8	6.9	-178.7	-62	179.3	-176.1	172.7	0	114	L472	L472-K474 HydrophobicContact CG-CG 4.27Å
475	G	92.1	Very high	89.8	Confident	41 Å²	41	70 Å²	70	42%	0.423	36%	0.358	S	S	.	.	S	Bend	trans	-79.2	-179.5	177.1	0	0	0	0	0	112.7	Y473	Y473-G475 VanDerWaalsContact CE1-C 3.48Å; Y473-G475 WeakPolarHBondContact CE1-O 3.21Å
476	E	93.5	Very high	90.2	Very high	146 Å²	146	69.2 Å²	69.2	68%	0.682	35%	0.354	S	S	*	.			trans	-71	153.1	170.8	-62.6	-163.8	171.1	0	0	110.9	Y473 T478	Y473-E476 PolarHBondContact OH-O 2.98Å; E476-T478 HydrophobicContact CB-CG2 3.91Å; E476-T478 PolarHBondContact O-N 2.74Å
477	H	95.1	Very high	90.9	Very high	79 Å²	79	67.8 Å²	67.8	37%	0.366	34%	0.344	S	S	.	.	S	Bend	trans	-82.8	63.7	179.4	-61.3	152.4	0	0	0	111.2	L420 L423 F460 Y473 F482	L420-H477 HydrophobicContact CD1-CB 4.19Å; L420-H477 HydrophobicContact CD2-CB 3.71Å; L423-H477 WeakPolarHBondContact CD2-O 3.38Å; F460-H477 AromaticContact CD2-CD2 3.93Å; F460-H477 AromaticContact CD2-NE2 3.64Å; F460-H477 AromaticContact CE2-CD2 3.58Å; F460-H477 AromaticContact CE2-CE1 4Å; F460-H477 AromaticContact CE2-NE2 3.46Å; F460-H477 WeakPolarHBondContact CE2-NE2 3.33Å; Y473-H477 AromaticContact CE1-CD2 3.99Å; H477-F482 HydrophobicContact CB-CZ 4.14Å; H477-F482 AromaticContact CD2-CZ 3.94Å
478	T	95.1	Very high	91.4	Very high	47 Å²	47	70.8 Å²	70.8	29%	0.288	36%	0.357	S	S	.	.	S	Bend	trans	-120	160.3	176.9	97.3	0	0	0	0	111.5	E476 K480 D481 F482	E476-T478 HydrophobicContact CB-CG2 3.91Å; E476-T478 PolarHBondContact O-N 2.74Å; T478-K480 PolarHBondContact O-N 2.81Å; T478-K480 PolarHBondContact OG1-N 3.14Å; T478-D481 WeakPolarHBondContact CB-OD2 3.37Å; T478-D481 VanDerWaalsContact CG2-OD2 3.28Å; T478-D481 WeakPolarHBondContact CG2-OD2 3.46Å; T478-D481 PolarHBondContact O-N 2.85Å; T478-D481 PolarHBondContact OG1-N 3.15Å; T478-D481 PolarHBondContact OG1-OD2 2.84Å; T478-F482 WeakPolarHBondContact O-CD2 3.47Å; T478-F482 WeakPolarHBondContact O-CG 3.5Å; T478-F482 PolarHBondContact O-N 2.83Å; T478-F482 VanDerWaalsContact O-N 3.13Å
479	M	94.3	Very high	91.9	Very high	54 Å²	54	64 Å²	64	27%	0.266	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-38.7	176	-177.2	58.5	78.7	0	0	111.8	L423 E426 L427 C483	L423-M479 HydrophobicContact CD1-CB 3.76Å; L423-M479 HydrophobicContact CD1-CE 3.78Å; L423-M479 HydrophobicContact CD1-SD 4.41Å; E426-M479 HydrophobicContact CB-CE 3.36Å; L427-M479 HydrophobicContact CB-CE 4.42Å; L427-M479 HydrophobicContact CB-SD 4.35Å; L427-M479 HydrophobicContact CD1-SD 3.81Å; M479-C483 WeakPolarHBondContact O-CB 3.45Å; M479-C483 PolarHBondContact O-N 2.88Å; M479-C483 VanDerWaalsContact O-N 3.11Å; M479-C483 PolarHBondContact O-SG 3.46Å
480	K	94.9	Very high	91.8	Very high	126 Å²	126	57 Å²	57	55%	0.548	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-54.5	-179.8	171.7	173.7	164.7	52.3	0	110.3	T478 F482 C483 D484	T478-K480 PolarHBondContact O-N 2.81Å; T478-K480 PolarHBondContact OG1-N 3.14Å; K480-F482 VanDerWaalsContact C-N 3.33Å; K480-F482 PolarHBondContact O-N 2.84Å; K480-C483 WeakPolarHBondContact O-CB 3.39Å; K480-C483 PolarHBondContact O-N 2.92Å; K480-D484 IonicContact NZ-OD1 2.69Å; K480-D484 IonicContact NZ-OD2 3.21Å; K480-D484 PolarHBondContact NZ-OD2 3.46Å; K480-D484 WeakPolarHBondContact O-CB 3.43Å; K480-D484 PolarHBondContact O-N 3.24Å
481	D	95.4	Very high	90.9	Very high	48 Å²	48	60.6 Å²	60.6	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-71.7	-28.9	-171	-51.9	-71.6	0	0	0	112.2	Y473 T478 F485	Y473-D481 WeakPolarHBondContact OH-CB 3.35Å; Y473-D481 PolarHBondContact OH-O 3.3Å; T478-D481 WeakPolarHBondContact CB-OD2 3.37Å; T478-D481 VanDerWaalsContact CG2-OD2 3.28Å; T478-D481 WeakPolarHBondContact CG2-OD2 3.46Å; T478-D481 PolarHBondContact O-N 2.85Å; T478-D481 PolarHBondContact OG1-N 3.15Å; T478-D481 PolarHBondContact OG1-OD2 2.84Å; D481-F485 WeakPolarHBondContact O-CB 3.26Å; D481-F485 PolarHBondContact O-N 3.09Å
482	F	96.1	Very high	89.7	Confident	1 Å²	1	61.6 Å²	61.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-43.9	166.8	-69.3	-38.9	0	0	0	112.3	F406 L423 L427 F460 Y473 H477 T478 K480 L486	F406-F482 AromaticContact CE1-CD1 3.94Å; F406-F482 HydrophobicContact CE1-CD1 3.94Å; F406-F482 HydrophobicContact CE1-CE1 4.2Å; F406-F482 HydrophobicContact CE1-CG 4.42Å; F406-F482 AromaticContact CZ-CD1 3.7Å; F406-F482 HydrophobicContact CZ-CD1 3.7Å; F406-F482 AromaticContact CZ-CE1 3.93Å; F406-F482 HydrophobicContact CZ-CE1 3.93Å; L423-F482 HydrophobicContact CD2-CD2 4.17Å; L423-F482 HydrophobicContact CD2-CE2 3.65Å; L423-F482 HydrophobicContact CG-CD2 4.28Å; L423-F482 HydrophobicContact CG-CE2 4.02Å; L427-F482 HydrophobicContact CD1-CB 3.95Å; L427-F482 HydrophobicContact CD2-CB 3.92Å; L427-F482 HydrophobicContact CD2-CD2 4.19Å; L427-F482 HydrophobicContact CD2-CG 4.17Å; F460-F482 HydrophobicContact CD1-CE1 4.24Å; F460-F482 HydrophobicContact CD1-CZ 4.26Å; F460-F482 HydrophobicContact CD2-CE1 4.07Å; F460-F482 HydrophobicContact CD2-CZ 4.16Å; F460-F482 HydrophobicContact CE1-CE1 4.3Å; F460-F482 AromaticContact CE1-CZ 3.85Å; F460-F482 HydrophobicContact CE1-CZ 3.85Å; F460-F482 HydrophobicContact CE2-CE1 4.16Å; F460-F482 AromaticContact CE2-CZ 3.78Å; F460-F482 HydrophobicContact CE2-CZ 3.78Å; F460-F482 HydrophobicContact CG-CE1 4.13Å; F460-F482 HydrophobicContact CG-CZ 4.41Å; F460-F482 HydrophobicContact CZ-CE1 4.28Å; F460-F482 HydrophobicContact CZ-CE2 4.45Å; F460-F482 AromaticContact CZ-CZ 3.61Å; F460-F482 HydrophobicContact CZ-CZ 3.61Å; Y473-F482 HydrophobicContact CD1-CD1 4.38Å; Y473-F482 AromaticContact CD1-CE1 3.91Å; Y473-F482 HydrophobicContact CD1-CE1 3.91Å; Y473-F482 HydrophobicContact CD2-CD1 4.4Å; Y473-F482 AromaticContact CE1-CD1 3.79Å; Y473-F482 HydrophobicContact CE1-CD1 3.79Å; Y473-F482 AromaticContact CE1-CE1 3.47Å; Y473-F482 HydrophobicContact CE1-CE1 3.47Å; Y473-F482 VanDerWaalsContact CE1-CE1 3.47Å; Y473-F482 AromaticContact CE2-CD1 3.82Å; Y473-F482 HydrophobicContact CE2-CD1 3.82Å; Y473-F482 HydrophobicContact CE2-CE1 4.31Å; Y473-F482 HydrophobicContact CG-CE1 4.49Å; Y473-F482 AromaticContact CZ-CD1 3.48Å; Y473-F482 VanDerWaalsContact CZ-CD1 3.48Å; Y473-F482 AromaticContact CZ-CE1 3.7Å; Y473-F482 PolarHBondContact OH-N 3.36Å; H477-F482 HydrophobicContact CB-CZ 4.14Å; H477-F482 AromaticContact CD2-CZ 3.94Å; T478-F482 WeakPolarHBondContact O-CD2 3.47Å; T478-F482 WeakPolarHBondContact O-CG 3.5Å; T478-F482 PolarHBondContact O-N 2.83Å; T478-F482 VanDerWaalsContact O-N 3.13Å; K480-F482 VanDerWaalsContact C-N 3.33Å; K480-F482 PolarHBondContact O-N 2.84Å; F482-L486 WeakPolarHBondContact O-CB 3.5Å; F482-L486 VanDerWaalsContact O-CG 3.25Å; F482-L486 WeakPolarHBondContact O-CG 3.37Å; F482-L486 PolarHBondContact O-N 3.31Å
483	C	94	Very high	88.3	Confident	10 Å²	10	61.6 Å²	61.6	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-49.4	177.8	-70.3	0	0	0	0	112	K430 M479 K480 F485 L486 E487	K430-C483 WeakPolarHBondContact CD-SG 3.38Å; K430-C483 PolarHBondContact NZ-SG 2.99Å; M479-C483 WeakPolarHBondContact O-CB 3.45Å; M479-C483 PolarHBondContact O-N 2.88Å; M479-C483 VanDerWaalsContact O-N 3.11Å; M479-C483 PolarHBondContact O-SG 3.46Å; K480-C483 WeakPolarHBondContact O-CB 3.39Å; K480-C483 PolarHBondContact O-N 2.92Å; C483-F485 VanDerWaalsContact C-N 3.32Å; C483-F485 PolarHBondContact O-N 3.29Å; C483-L486 PolarHBondContact O-N 3.08Å; C483-E487 WeakPolarHBondContact O-CB 3.25Å; C483-E487 WeakPolarHBondContact O-CG 3.5Å; C483-E487 PolarHBondContact O-N 2.95Å
484	D	93.9	Very high	87	Confident	61 Å²	61	65.1 Å²	65.1	33%	0.326	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-44	-179.8	-70.1	3.3	0	0	0	110.5	K480 E487 I488	K480-D484 IonicContact NZ-OD1 2.69Å; K480-D484 IonicContact NZ-OD2 3.21Å; K480-D484 PolarHBondContact NZ-OD2 3.46Å; K480-D484 WeakPolarHBondContact O-CB 3.43Å; K480-D484 PolarHBondContact O-N 3.24Å; D484-E487 PolarHBondContact O-N 3.07Å; D484-I488 WeakPolarHBondContact O-CB 3.48Å; D484-I488 WeakPolarHBondContact O-CD1 3.25Å; D484-I488 WeakPolarHBondContact O-CG1 3.44Å; D484-I488 PolarHBondContact O-N 3.49Å
485	F	94.7	Very high	85.6	Confident	35 Å²	35	62.9 Å²	62.9	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-47.1	175.7	172.5	-95.1	0	0	0	112.9	F406 L462 V471 Y473 D481 C483 I488 N489	F406-F485 HydrophobicContact CD2-CE1 4.22Å; F406-F485 HydrophobicContact CE2-CD1 4.15Å; F406-F485 AromaticContact CE2-CE1 3.85Å; F406-F485 HydrophobicContact CE2-CE1 3.85Å; L462-F485 HydrophobicContact CB-CE1 3.98Å; L462-F485 HydrophobicContact CB-CZ 4.23Å; L462-F485 HydrophobicContact CD2-CE1 4.28Å; V471-F485 HydrophobicContact CG1-CE2 4.19Å; V471-F485 HydrophobicContact CG1-CZ 3.98Å; Y473-F485 HydrophobicContact CD2-CB 4.1Å; Y473-F485 AromaticContact CD2-CD1 3.6Å; Y473-F485 HydrophobicContact CD2-CD1 3.6Å; Y473-F485 AromaticContact CD2-CD2 3.83Å; Y473-F485 HydrophobicContact CD2-CD2 3.83Å; Y473-F485 AromaticContact CD2-CE1 3.88Å; Y473-F485 HydrophobicContact CD2-CE1 3.88Å; Y473-F485 HydrophobicContact CD2-CE2 4.1Å; Y473-F485 AromaticContact CD2-CG 3.57Å; Y473-F485 HydrophobicContact CD2-CG 3.57Å; Y473-F485 HydrophobicContact CD2-CZ 4.13Å; Y473-F485 HydrophobicContact CE2-CB 3.65Å; Y473-F485 AromaticContact CE2-CD1 3.99Å; Y473-F485 HydrophobicContact CE2-CD1 3.99Å; Y473-F485 HydrophobicContact CE2-CD2 4.14Å; Y473-F485 AromaticContact CE2-CG 3.67Å; Y473-F485 HydrophobicContact CE2-CG 3.67Å; D481-F485 WeakPolarHBondContact O-CB 3.26Å; D481-F485 PolarHBondContact O-N 3.09Å; C483-F485 VanDerWaalsContact C-N 3.32Å; C483-F485 PolarHBondContact O-N 3.29Å; F485-I488 PolarHBondContact O-N 2.91Å; F485-N489 WeakPolarHBondContact CD2-ND2 3.34Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.48Å; F485-N489 PolarHBondContact O-N 3.19Å; F485-N489 PolarHBondContact O-ND2 3.17Å
486	L	93.3	Very high	84.2	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-45.1	178.1	-72	170.3	0	0	0	111	F406 L427 Y431 V437 I439 L462 F482 C483 I488 N489 V490	F406-L486 HydrophobicContact CB-CD2 3.89Å; F406-L486 HydrophobicContact CD2-CD2 4Å; F406-L486 HydrophobicContact CG-CD2 3.95Å; L427-L486 HydrophobicContact CD1-CD1 4.3Å; L427-L486 HydrophobicContact CD2-CD1 4.31Å; Y431-L486 HydrophobicContact CD2-CD1 4.18Å; Y431-L486 HydrophobicContact CE2-CD1 3.76Å; V437-L486 HydrophobicContact CG1-CD1 4.3Å; V437-L486 HydrophobicContact CG1-CD2 4.37Å; I439-L486 HydrophobicContact CD1-CD1 3.99Å; L462-L486 HydrophobicContact CD1-CD2 3.95Å; F482-L486 WeakPolarHBondContact O-CB 3.5Å; F482-L486 VanDerWaalsContact O-CG 3.25Å; F482-L486 WeakPolarHBondContact O-CG 3.37Å; F482-L486 PolarHBondContact O-N 3.31Å; C483-L486 PolarHBondContact O-N 3.08Å; L486-I488 PolarHBondContact O-N 3.08Å; L486-N489 PolarHBondContact O-N 2.71Å; L486-V490 WeakPolarHBondContact O-CB 3.44Å; L486-V490 VanDerWaalsContact O-CG2 3.27Å; L486-V490 WeakPolarHBondContact O-CG2 3.46Å; L486-V490 PolarHBondContact O-N 2.69Å
487	E	89.9	Confident	82.6	Confident	71 Å²	71	63.6 Å²	63.6	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-35.7	178.8	-75.5	-173.1	-140.7	0	0	113	K430 C483 D484 K491	K430-E487 IonicContact NZ-OE1 2.59Å; K430-E487 PolarHBondContact NZ-OE1 3.45Å; C483-E487 WeakPolarHBondContact O-CB 3.25Å; C483-E487 WeakPolarHBondContact O-CG 3.5Å; C483-E487 PolarHBondContact O-N 2.95Å; D484-E487 PolarHBondContact O-N 3.07Å; E487-K491 VanDerWaalsContact O-CB 3.28Å; E487-K491 WeakPolarHBondContact O-CB 3.37Å; E487-K491 VanDerWaalsContact O-CD 3.26Å; E487-K491 WeakPolarHBondContact O-CD 3.48Å; E487-K491 WeakPolarHBondContact O-CG 3.35Å; E487-K491 PolarHBondContact O-N 3.41Å; E487-K491 IonicContact OE2-NZ 2.83Å; E487-K491 PolarHBondContact OE2-NZ 2.83Å
488	I	87.8	Confident	81.1	Confident	96 Å²	96	64.9 Å²	64.9	49%	0.492	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-50.3	174.9	-73	164.4	0	0	0	111	D484 F485 L486 V490 K491 I492	D484-I488 WeakPolarHBondContact O-CB 3.48Å; D484-I488 WeakPolarHBondContact O-CD1 3.25Å; D484-I488 WeakPolarHBondContact O-CG1 3.44Å; D484-I488 PolarHBondContact O-N 3.49Å; F485-I488 PolarHBondContact O-N 2.91Å; L486-I488 PolarHBondContact O-N 3.08Å; I488-V490 VanDerWaalsContact C-N 3.29Å; I488-V490 PolarHBondContact O-N 3.43Å; I488-K491 PolarHBondContact O-N 2.81Å; I488-I492 HydrophobicContact CG2-CD1 3.65Å; I488-I492 HydrophobicContact CG2-CG1 4.48Å; I488-I492 WeakPolarHBondContact O-CG1 3.46Å; I488-I492 PolarHBondContact O-N 2.95Å; I488-I492 VanDerWaalsContact O-N 3.11Å
489	N	83.4	Confident	79.8	Confident	33 Å²	33	69 Å²	69	18%	0.176	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-26.4	-176.3	-73.9	-100.6	0	0	0	112.8	L462 F485 L486 R493	L462-N489 HydrophobicContact CD2-CB 3.51Å; F485-N489 WeakPolarHBondContact CD2-ND2 3.34Å; F485-N489 WeakPolarHBondContact CE2-ND2 3.48Å; F485-N489 PolarHBondContact O-N 3.19Å; F485-N489 PolarHBondContact O-ND2 3.17Å; L486-N489 PolarHBondContact O-N 2.71Å; N489-R493 VanDerWaalsContact O-CD 3.26Å; N489-R493 WeakPolarHBondContact O-CD 3.3Å; N489-R493 VanDerWaalsContact O-CG 3.27Å; N489-R493 WeakPolarHBondContact O-CG 3.36Å
490	V	79.3	Confident	78.2	Confident	18 Å²	18	71.7 Å²	71.7	11%	0.109	35%	0.348	C	S	.	.	H	α-helix	trans	-79	-43.3	173.3	173.5	0	0	0	0	111.4	D404 V437 L486 I488 R493 I494	D404-V490 HydrophobicContact CB-CG2 4.47Å; V437-V490 HydrophobicContact CG2-CG2 3.77Å; L486-V490 WeakPolarHBondContact O-CB 3.44Å; L486-V490 VanDerWaalsContact O-CG2 3.27Å; L486-V490 WeakPolarHBondContact O-CG2 3.46Å; L486-V490 PolarHBondContact O-N 2.69Å; I488-V490 VanDerWaalsContact C-N 3.29Å; I488-V490 PolarHBondContact O-N 3.43Å; V490-R493 PolarHBondContact O-N 3.01Å; V490-I494 HydrophobicContact CG1-CD1 4.15Å; V490-I494 PolarHBondContact O-N 3.02Å
491	K	68.9	Low	76.6	Confident	104 Å²	104	69.7 Å²	69.7	45%	0.452	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-45.5	-177.5	-73.2	165.7	-164	166.3	0	112.9	E487 I488 R493 I494 E495	E487-K491 VanDerWaalsContact O-CB 3.28Å; E487-K491 WeakPolarHBondContact O-CB 3.37Å; E487-K491 VanDerWaalsContact O-CD 3.26Å; E487-K491 WeakPolarHBondContact O-CD 3.48Å; E487-K491 WeakPolarHBondContact O-CG 3.35Å; E487-K491 PolarHBondContact O-N 3.41Å; E487-K491 IonicContact OE2-NZ 2.83Å; E487-K491 PolarHBondContact OE2-NZ 2.83Å; I488-K491 PolarHBondContact O-N 2.81Å; K491-R493 PolarHBondContact O-N 3.28Å; K491-R493 VanDerWaalsContact O-N 3.12Å; K491-I494 PolarHBondContact O-N 2.82Å; K491-E495 WeakPolarHBondContact O-CG 3.32Å; K491-E495 PolarHBondContact O-N 2.79Å; K491-E495 VanDerWaalsContact O-N 3.07Å
492	I	66	Low	74.8	Confident	76 Å²	76	70 Å²	70	39%	0.39	35%	0.348	S	S	.	.	H	α-helix	trans	-53.3	-36.6	177.6	-71.2	168.8	0	0	0	111.2	I488 E495 E496	I488-I492 HydrophobicContact CG2-CD1 3.65Å; I488-I492 HydrophobicContact CG2-CG1 4.48Å; I488-I492 WeakPolarHBondContact O-CG1 3.46Å; I488-I492 PolarHBondContact O-N 2.95Å; I488-I492 VanDerWaalsContact O-N 3.11Å; I492-E495 WeakPolarHBondContact O-CB 3.35Å; I492-E495 PolarHBondContact O-N 2.63Å; I492-E496 HydrophobicContact CG2-CG 4.38Å; I492-E496 WeakPolarHBondContact O-CG 3.2Å; I492-E496 PolarHBondContact O-N 2.8Å
493	R	61.9	Low	73.3	Confident	52 Å²	52	74.1 Å²	74.1	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-84.7	-26.9	-173.2	-58.6	-179.6	88.5	-122.5	5.2	113.1	D404 T465 N489 V490 K491 E495 E497	D404-R493 IonicContact OD1-NH1 3.13Å; T465-R493 PolarHBondContact O-NH1 2.6Å; T465-R493 PolarHBondContact O-NH2 3.24Å; N489-R493 VanDerWaalsContact O-CD 3.26Å; N489-R493 WeakPolarHBondContact O-CD 3.3Å; N489-R493 VanDerWaalsContact O-CG 3.27Å; N489-R493 WeakPolarHBondContact O-CG 3.36Å; V490-R493 PolarHBondContact O-N 3.01Å; K491-R493 PolarHBondContact O-N 3.28Å; K491-R493 VanDerWaalsContact O-N 3.12Å; R493-E495 VanDerWaalsContact C-N 3.31Å; R493-E497 VanDerWaalsContact O-CB 3.28Å; R493-E497 WeakPolarHBondContact O-CB 3.4Å; R493-E497 VanDerWaalsContact O-CG 3.29Å; R493-E497 WeakPolarHBondContact O-CG 3.42Å; R493-E497 PolarHBondContact O-N 3.41Å
494	I	64.8	Low	71.5	Confident	88 Å²	88	79.6 Å²	79.6	45%	0.451	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-40.8	165	-62.8	167.3	0	0	0	109.5	V490 K491 E497 D498	V490-I494 HydrophobicContact CG1-CD1 4.15Å; V490-I494 PolarHBondContact O-N 3.02Å; K491-I494 PolarHBondContact O-N 2.82Å; I494-E497 PolarHBondContact O-N 3.11Å; I494-D498 WeakPolarHBondContact O-CB 3.24Å; I494-D498 PolarHBondContact O-N 2.98Å
495	E	63.4	Low	69.6	Low	134 Å²	134	82.5 Å²	82.5	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-65.9	-40.7	176.1	-67.2	168.1	-174.9	0	0	111.8	K491 I492 R493 E499	K491-E495 WeakPolarHBondContact O-CG 3.32Å; K491-E495 PolarHBondContact O-N 2.79Å; K491-E495 VanDerWaalsContact O-N 3.07Å; I492-E495 WeakPolarHBondContact O-CB 3.35Å; I492-E495 PolarHBondContact O-N 2.63Å; R493-E495 VanDerWaalsContact C-N 3.31Å; E495-E499 WeakPolarHBondContact O-CB 3.47Å; E495-E499 PolarHBondContact O-N 3.25Å; E495-E499 VanDerWaalsContact O-N 3.07Å
496	E	62.5	Low	67.7	Low	102 Å²	102	85.7 Å²	85.7	48%	0.477	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-41.3	172.9	-71.9	170.7	165	0	0	113.1	I492 L500	I492-E496 HydrophobicContact CG2-CG 4.38Å; I492-E496 WeakPolarHBondContact O-CG 3.2Å; I492-E496 PolarHBondContact O-N 2.8Å; E496-L500 WeakPolarHBondContact O-CB 3.3Å; E496-L500 VanDerWaalsContact O-CG 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.19Å; E496-L500 PolarHBondContact O-N 3.19Å
497	E	60.4	Low	65.8	Low	100 Å²	100	92.1 Å²	92.1	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-69.4	-43.1	177.9	-77.2	174.2	-163.4	0	0	112.1	R493 I494 E499 L500 L501	R493-E497 VanDerWaalsContact O-CB 3.28Å; R493-E497 WeakPolarHBondContact O-CB 3.4Å; R493-E497 VanDerWaalsContact O-CG 3.29Å; R493-E497 WeakPolarHBondContact O-CG 3.42Å; R493-E497 PolarHBondContact O-N 3.41Å; I494-E497 PolarHBondContact O-N 3.11Å; E497-E499 VanDerWaalsContact C-N 3.34Å; E497-E499 PolarHBondContact O-N 2.93Å; E497-L500 PolarHBondContact O-N 2.74Å; E497-L501 PolarHBondContact O-N 3.18Å; E497-L501 WeakPolarHBondContact O-CG 3.27Å; E497-L501 WeakPolarHBondContact O-CB 3.4Å; E497-L501 VanDerWaalsContact O-CB 3.31Å; E497-L501 VanDerWaalsContact O-CG 3.25Å
498	D	64.1	Low	63.9	Low	106 Å²	106	93.5 Å²	93.5	57%	0.567	47%	0.467	S	S	*	.	H	α-helix	trans	-63.5	-38.3	174.6	-82.5	-23.2	0	0	0	111.3	I494 S502	I494-D498 WeakPolarHBondContact O-CB 3.24Å; I494-D498 PolarHBondContact O-N 2.98Å; D498-S502 WeakPolarHBondContact O-CB 3.39Å; D498-S502 PolarHBondContact O-N 3.5Å
499	E	66.1	Low	62.1	Low	134 Å²	134	94 Å²	94	63%	0.626	47%	0.47	S	S	*	.	H	α-helix	trans	-66.3	-46.6	175.9	-171	165.1	-139.1	0	0	111.3	E495 E497 S502 I503	E495-E499 WeakPolarHBondContact O-CB 3.47Å; E495-E499 PolarHBondContact O-N 3.25Å; E495-E499 VanDerWaalsContact O-N 3.07Å; E497-E499 VanDerWaalsContact C-N 3.34Å; E497-E499 PolarHBondContact O-N 2.93Å; E499-S502 WeakPolarHBondContact O-CB 3.46Å; E499-S502 PolarHBondContact O-N 3.35Å; E499-S502 PolarHBondContact O-OG 3Å; E499-I503 PolarHBondContact O-N 3.37Å; E499-I503 VanDerWaalsContact O-N 3.16Å; E499-I503 WeakPolarHBondContact O-CG1 3.17Å
500	L	62.2	Low	60.5	Low	110 Å²	110	100 Å²	100	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-61.8	-45.9	175.7	-74.1	169	0	0	0	112.8	E496 E497 S502 I503 E504	E496-L500 WeakPolarHBondContact O-CB 3.3Å; E496-L500 VanDerWaalsContact O-CG 3.31Å; E496-L500 WeakPolarHBondContact O-CG 3.19Å; E496-L500 PolarHBondContact O-N 3.19Å; E497-L500 PolarHBondContact O-N 2.74Å; L500-S502 PolarHBondContact O-N 2.86Å; L500-I503 WeakPolarHBondContact O-CB 3.31Å; L500-I503 PolarHBondContact O-N 3.38Å; L500-E504 PolarHBondContact O-N 3.47Å
501	L	60.5	Low	58.9	Low	84 Å²	84	107.3 Å²	107.3	44%	0.44	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-29.4	176.3	-74.5	169.5	0	0	0	112.3	E497 Q505	E497-L501 PolarHBondContact O-N 3.18Å; E497-L501 WeakPolarHBondContact O-CG 3.27Å; E497-L501 WeakPolarHBondContact O-CB 3.4Å; E497-L501 VanDerWaalsContact O-CB 3.31Å; E497-L501 VanDerWaalsContact O-CG 3.25Å; L501-Q505 PolarHBondContact O-NE2 3.34Å; L501-Q505 VanDerWaalsContact O-N 3.16Å; L501-Q505 PolarHBondContact O-N 3.44Å; L501-Q505 VanDerWaalsContact O-CG 3.27Å; L501-Q505 WeakPolarHBondContact O-CG 3.3Å; L501-Q505 WeakPolarHBondContact O-CB 3.1Å
502	S	58.3	Low	57.6	Low	54 Å²	54	111 Å²	111	38%	0.378	55%	0.548	S	S	.	.	H	α-helix	trans	-71.4	-30.3	173.1	84.4	0	0	0	0	112.6	D498 E499 L500 N506	D498-S502 WeakPolarHBondContact O-CB 3.39Å; D498-S502 PolarHBondContact O-N 3.5Å; E499-S502 WeakPolarHBondContact O-CB 3.46Å; E499-S502 PolarHBondContact O-N 3.35Å; E499-S502 PolarHBondContact O-OG 3Å; L500-S502 PolarHBondContact O-N 2.86Å; S502-N506 PolarHBondContact O-N 3.15Å; S502-N506 PolarHBondContact O-ND2 3.44Å
503	I	63.9	Low	56.4	Low	87 Å²	87	112.8 Å²	112.8	45%	0.446	56%	0.563	S	S	.	*	H	α-helix	trans	-73.9	-50	176.5	-64.9	165.5	0	0	0	110.1	E499 L500 Q505 N506 E507	E499-I503 PolarHBondContact O-N 3.37Å; E499-I503 VanDerWaalsContact O-N 3.16Å; E499-I503 WeakPolarHBondContact O-CG1 3.17Å; L500-I503 WeakPolarHBondContact O-CB 3.31Å; L500-I503 PolarHBondContact O-N 3.38Å; I503-Q505 VanDerWaalsContact C-N 3.29Å; I503-Q505 PolarHBondContact O-N 3.04Å; I503-N506 PolarHBondContact O-N 3.06Å; I503-E507 PolarHBondContact O-N 3.04Å; I503-E507 VanDerWaalsContact O-N 3.09Å
504	E	56.9	Low	55.4	Low	125 Å²	125	117.4 Å²	117.4	58%	0.584	59%	0.59	S	S	*	*	H	α-helix	trans	-58.9	-39.4	177.8	-68.5	-170.8	161.4	0	0	112.1	L500 N506 E507 V508	L500-E504 PolarHBondContact O-N 3.47Å; E504-N506 VanDerWaalsContact C-N 3.31Å; E504-N506 PolarHBondContact O-N 2.88Å; E504-E507 PolarHBondContact O-N 3.23Å; E504-V508 WeakPolarHBondContact O-CG2 3.36Å; E504-V508 PolarHBondContact O-N 3.18Å; E504-V508 VanDerWaalsContact O-N 3.12Å
505	Q	54.4	Low	53.8	Low	123 Å²	123	117.7 Å²	117.7	58%	0.575	61%	0.606	S	S	*	*	H	α-helix	trans	-64.6	-32.6	175.3	-78.9	170.6	70	0	0	113.1	L501 I503 I509	L501-Q505 PolarHBondContact O-NE2 3.34Å; L501-Q505 VanDerWaalsContact O-N 3.16Å; L501-Q505 PolarHBondContact O-N 3.44Å; L501-Q505 VanDerWaalsContact O-CG 3.27Å; L501-Q505 WeakPolarHBondContact O-CG 3.3Å; L501-Q505 WeakPolarHBondContact O-CB 3.1Å; I503-Q505 VanDerWaalsContact C-N 3.29Å; I503-Q505 PolarHBondContact O-N 3.04Å; Q505-I509 PolarHBondContact O-N 2.68Å; Q505-I509 WeakPolarHBondContact O-CG1 3.4Å; Q505-I509 VanDerWaalsContact O-CD1 3.29Å; Q505-I509 WeakPolarHBondContact O-CD1 3.33Å
506	N	54.1	Low	52.5	Low	101 Å²	101	119.5 Å²	119.5	54%	0.54	61%	0.614	S	S	.	*	H	α-helix	trans	-73.3	-40	175.9	-77.7	-57.3	0	0	0	112	S502 I503 E504 V508 I509 E510	S502-N506 PolarHBondContact O-N 3.15Å; S502-N506 PolarHBondContact O-ND2 3.44Å; I503-N506 PolarHBondContact O-N 3.06Å; E504-N506 VanDerWaalsContact C-N 3.31Å; E504-N506 PolarHBondContact O-N 2.88Å; N506-V508 PolarHBondContact O-N 2.86Å; N506-I509 PolarHBondContact O-N 2.76Å; N506-E510 PolarHBondContact O-N 3.32Å; N506-E510 VanDerWaalsContact O-N 3.14Å
507	E	53.3	Low	51.6	Low	137 Å²	137	120.2 Å²	120.2	64%	0.64	63%	0.628	S	S	*	*	H	α-helix	trans	-63.1	-41.8	175.9	-69	-167.7	145.5	0	0	112	I503 E504 I509 E510 E511	I503-E507 PolarHBondContact O-N 3.04Å; I503-E507 VanDerWaalsContact O-N 3.09Å; E504-E507 PolarHBondContact O-N 3.23Å; E507-I509 VanDerWaalsContact C-N 3.29Å; E507-I509 PolarHBondContact O-N 3.31Å; E507-E510 VanDerWaalsContact O-N 3.14Å; E507-E510 PolarHBondContact O-N 3.25Å; E507-E511 PolarHBondContact O-N 2.94Å
508	V	49.8	Very low	50.6	Low	100 Å²	100	123 Å²	123	61%	0.606	64%	0.64	S	S	*	*	H	α-helix	trans	-64.7	-32.2	176	174.5	0	0	0	0	112.2	E504 N506 E512	E504-V508 WeakPolarHBondContact O-CG2 3.36Å; E504-V508 PolarHBondContact O-N 3.18Å; E504-V508 VanDerWaalsContact O-N 3.12Å; N506-V508 PolarHBondContact O-N 2.86Å; V508-E512 PolarHBondContact O-N 2.62Å
509	I	50.3	Low	48.8	Very low	106 Å²	106	124.9 Å²	124.9	54%	0.544	66%	0.656	S	S	.	*	H	α-helix	trans	-70.8	-29.6	174.9	-72.6	166.3	0	0	0	111.9	Q505 N506 E507 V513	Q505-I509 PolarHBondContact O-N 2.68Å; Q505-I509 WeakPolarHBondContact O-CG1 3.4Å; Q505-I509 VanDerWaalsContact O-CD1 3.29Å; Q505-I509 WeakPolarHBondContact O-CD1 3.33Å; N506-I509 PolarHBondContact O-N 2.76Å; E507-I509 VanDerWaalsContact C-N 3.29Å; E507-I509 PolarHBondContact O-N 3.31Å; I509-V513 WeakPolarHBondContact O-CG2 3.48Å
510	E	49.4	Very low	47.1	Very low	158 Å²	158	125.8 Å²	125.8	74%	0.738	66%	0.66	S	S	*	*	H	α-helix	trans	-75.8	-32.6	175.9	-68.4	-159.7	161.3	0	0	113.1	N506 E507	N506-E510 PolarHBondContact O-N 3.32Å; N506-E510 VanDerWaalsContact O-N 3.14Å; E507-E510 VanDerWaalsContact O-N 3.14Å; E507-E510 PolarHBondContact O-N 3.25Å
511	E	46.3	Very low	45.6	Very low	173 Å²	173	127.4 Å²	127.4	81%	0.808	67%	0.669	S	S	*	*	H	α-helix	trans	-70.9	-35.3	175.2	-73.3	-155.3	134.9	0	0	113.7	E507 V513	E507-E511 PolarHBondContact O-N 2.94Å; E511-V513 PolarHBondContact O-N 2.67Å
512	E	39.9	Very low	44	Very low	180 Å²	180	129.6 Å²	129.6	84%	0.841	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-4.8	-175	-150.6	176.6	-142.8	0	0	114.1	V508	V508-E512 PolarHBondContact O-N 2.62Å
513	V	41.5	Very low	42.5	Very low	114 Å²	114	133.9 Å²	133.9	69%	0.691	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-14.2	-174.6	173.1	0	0	0	0	113.9	I509 E511	I509-V513 WeakPolarHBondContact O-CG2 3.48Å; E511-V513 PolarHBondContact O-N 2.67Å
514	I	40.5	Very low	40.9	Very low	150 Å²	150	137.1 Å²	137.1	77%	0.769	70%	0.704	S	S	*	*			trans	-111.2	84.7	-172	-51.1	-175.7	0	0	0	112.2
515	A	31.6	Very low	39.4	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	72%	0.715	S	S	*	*			trans	-123.5	72.8	177	0	0	0	0	0	113.6
516	E	37	Very low	38.7	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	72%	0.72	S	S	*	*			trans	66.4	168.6	154.7	-94.2	-171.5	-143.2	0	0	118.8
517	P	43	Very low	37.6	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	73%	0.732	S	S	*	*			cis	-125.1	178.2	18.9	42.7	-27.4	0	0	0	118.1
518	E	38.7	Very low	36.7	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.734	74%	0.738	S	S	*	*			trans	-58.6	156.2	-171.5	-50.1	-179.8	118.8	0	0	117.2
519	T	27.8	Very low	35.6	Very low	147 Å²	147	147 Å²	147	90%	0.902	75%	0.754	S	S	*	*			trans	-151.5	163.8	139.2	-14.9	0	0	0	0	111.1
520	Q	30	Very low	34.4	Very low	153 Å²	153	148.4 Å²	148.4	72%	0.715	76%	0.762	S	S	*	*			trans	-111.4	167.7	-160.8	-52	173.7	-6.5	0	0	114
521	L	29.6	Very low	33.5	Very low	143 Å²	143	147.7 Å²	147.7	75%	0.749	76%	0.763	S	S	*	*			trans	91.6	124.3	151.8	-60.8	161.3	0	0	0	121.4
522	I	27.4	Very low	32.8	Very low	131 Å²	131	147.3 Å²	147.3	67%	0.672	76%	0.758	S	S	*	*			trans	82.4	119.1	130.4	-72.2	173.4	0	0	0	121.4
523	E	27.9	Very low	32.3	Very low	143 Å²	143	145.3 Å²	145.3	67%	0.668	75%	0.753	S	S	*	*			trans	48	155.8	139.3	-59.5	-170.5	128.3	0	0	122.2
524	K	28.8	Very low	31.6	Very low	155 Å²	155	147.8 Å²	147.8	67%	0.674	76%	0.757	S	S	*	*			cis	-173	157	-15	-109.3	173.4	179.1	161.2	0	109.8
525	L	25.4	Very low	31	Very low	153 Å²	153	148 Å²	148	80%	0.801	76%	0.759	S	S	*	*			trans	65	168.5	154.9	-95.7	72.2	0	0	0	118.5
526	P	41	Very low	30.9	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	75%	0.754	S	S	*	*			cis	-136.2	170.4	-22.7	35	-15.8	0	0	0	117.2
527	E	30.1	Very low	30.6	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	75%	0.752	S	S	*	*			trans	-4.9	128.5	149	-72.6	162.5	177.7	0	0	120.3
528	Q	33.6	Very low	30.1	Very low	164 Å²	164	145.9 Å²	145.9	77%	0.766	75%	0.749	S	S	*	*				72.7	134.6	79.7	-72.7	-167.4	9.8	0	0	117.4
529	Q	26.9	Very low	29.8	Very low	200 Å²	200	145.2 Å²	145.2	94%	0.935	75%	0.746	S	S	*	*			trans	-141.1	158.6	149.2	-72	-161.5	-10.3	0	0	110.3
530	L	26.4	Very low	30.1	Very low	136 Å²	136	143 Å²	143	71%	0.712	73%	0.728	S	S	*	*			trans	-149.9	156.5	-158.7	-150.8	78.8	0	0	0	112.8
531	L	30.4	Very low	30.1	Very low	144 Å²	144	144.4 Å²	144.4	75%	0.754	73%	0.727	S	S	*	*			trans	73.8	158.9	166.1	-60	173.4	0	0	0	116.4
532	K	31.6	Very low	30.2	Very low	164 Å²	164	145.4 Å²	145.4	71%	0.713	73%	0.728	S	S	*	*			cis	-163.4	151.4	19.8	-144.5	168.6	-178.9	-179.4	0	114.2
533	L	28.1	Very low	30.2	Very low	138 Å²	138	147.5 Å²	147.5	72%	0.723	74%	0.737	S	S	*	*			trans	60.5	168.6	159.4	-65.5	136.1	0	0	0	120.5
534	E	27.9	Very low	30.1	Very low	167 Å²	167	148.7 Å²	148.7	78%	0.78	74%	0.74	S	S	*	*				-176.7	145.6	-52.2	-159.7	154.5	-113.9	0	0	109.7
535	D	26.8	Very low	29.9	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	74%	0.739	S	S	*	*			trans	156.5	115.8	156.7	-91.8	-23.8	0	0	0	108.2
536	A	30.3	Very low	29.9	Very low	80 Å²	80	145.9 Å²	145.9	66%	0.661	74%	0.738	S	S	*	*				73.3	103.7	66.4	0	0	0	0	0	112
537	T	31.5	Very low	30.3	Very low	124 Å²	124	146.3 Å²	146.3	76%	0.761	74%	0.74	S	S	*	*				-179.6	164.9	75.7	39.5	0	0	0	0	108.2
538	L	32.8	Very low	30.1	Very low	134 Å²	134	144.2 Å²	144.2	70%	0.702	74%	0.739	S	S	*	*			cis	-163.4	179.3	-16.7	-95.8	164.5	0	0	0	104.7
539	E	31.5	Very low	29.8	Very low	144 Å²	144	143.2 Å²	143.2	67%	0.673	74%	0.738	S	S	*	*			cis	-155.5	150	9.1	-147.9	146	-134.8	0	0	109.9
540	D	33.3	Very low	29.8	Very low	99 Å²	99	141.8 Å²	141.8	53%	0.529	73%	0.731	S	S	.	*			trans	48	150.6	138.6	-76.2	16.5	0	0	0	125.5
541	R	31.5	Very low	29.8	Very low	184 Å²	184	139.1 Å²	139.1	69%	0.694	72%	0.724	S	S	*	*			cis	-173.3	164.4	-17.4	-116.9	175	-139.5	158	28.6	107.7
542	Q	30.8	Very low	29.6	Very low	163 Å²	163	139.3 Å²	139.3	76%	0.762	72%	0.724	S	S	*	*			cis	-152.8	174.4	0.5	-154.9	154.7	14.5	0	0	111.4
543	M	28.8	Very low	29.3	Very low	176 Å²	176	136.9 Å²	136.9	87%	0.867	73%	0.728	S	S	*	*			trans	-84.1	165.2	-173.2	-51.4	159	-178.8	0	0	115.6
544	K	25.6	Very low	29.2	Very low	167 Å²	167	139.5 Å²	139.5	73%	0.726	73%	0.733	S	S	*	*				162	146.7	128.6	-91.9	-178.7	174.9	-72.9	0	111.6
545	E	24.5	Very low	29.7	Very low	139 Å²	139	137.2 Å²	137.2	65%	0.65	73%	0.733	S	S	*	*			cis	-166.7	110	-14.6	-142.3	157.5	-143.6	0	0	112.1
546	S	24.8	Very low	29.6	Very low	111 Å²	111	134 Å²	134	78%	0.776	73%	0.728	S	S	*	*			trans	62.4	173.5	135.8	-38.6	0	0	0	0	121.4
547	P	48.8	Very low	29.3	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	74%	0.737	S	S	*	*				-142.6	-148.5	-118.3	33.1	-3.8	0	0	0	116.6
548	V	27.4	Very low	29.7	Very low	125 Å²	125	138 Å²	138	76%	0.758	73%	0.733	S	S	*	*			trans	82	132.8	162.6	179.6	0	0	0	0	116
549	L	26.1	Very low	29.3	Very low	143 Å²	143	138 Å²	138	75%	0.749	74%	0.738	S	S	*	*			cis	-122	-170.9	-3.4	-88.1	136.4	0	0	0	109.6
550	E	26.3	Very low	29.1	Very low	171 Å²	171	141.9 Å²	141.9	80%	0.799	75%	0.747	S	S	*	*			cis	78.4	153.3	21.7	-111	-155.9	-63.1	0	0	117.4
551	S	26.6	Very low	28.6	Very low	79 Å²	79	142.2 Å²	142.2	55%	0.552	75%	0.753	S	S	*	*			cis	-159.6	179	10.7	60.8	0	0	0	0	114.6
552	I	26.6	Very low	28.5	Very low	149 Å²	149	141.7 Å²	141.7	76%	0.764	76%	0.758	S	S	*	*			trans	87.3	108.1	154.3	-65.7	169.9	0	0	0	123.5
553	S	25.9	Very low	28.2	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	77%	0.767	S	S	*	*			trans	47.8	144.1	139.7	77.1	0	0	0	0	128.5
554	K	24.6	Very low	28.2	Very low	194 Å²	194	136.8 Å²	136.8	84%	0.843	76%	0.758	S	S	*	*			trans	-83.4	-172	158.7	-60.9	-178.4	176.8	177.9	0	111.3
555	P	39.3	Very low	28.4	Very low	119 Å²	119	136.1 Å²	136.1	77%	0.773	76%	0.762	S	S	*	*			cis	-147.5	171	8.7	45.2	-24.7	0	0	0	121.3
556	A	25.2	Very low	28.7	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	77%	0.772	S	S	*	*			trans	63.2	124.3	138.9	0	0	0	0	0	126.2
557	E	23.3	Very low	29	Very low	182 Å²	182	142 Å²	142	85%	0.85	78%	0.778	S	S	*	*			trans	68.8	164.9	131.1	-73.5	-164.2	-176.2	0	0	123.1
558	P	40.9	Very low	28.1	Very low	106 Å²	106	144.4 Å²	144.4	69%	0.688	78%	0.779	S	S	*	*			cis	-139.3	-158.9	-48.6	38.5	-18.8	0	0	0	114.7
559	V	24.4	Very low	28.2	Very low	134 Å²	134	145.8 Å²	145.8	81%	0.812	78%	0.777	S	S	*	*			trans	96.3	154.6	161.9	-159.9	0	0	0	0	119.4
560	R	25.7	Very low	28.5	Very low	226 Å²	226	143.9 Å²	143.9	85%	0.853	77%	0.771	S	S	*	*			trans	-88.8	-173.3	178.2	-57.9	176.2	172.8	161.4	-4.4	110.9
561	T	24.5	Very low	28.6	Very low	106 Å²	106	140.3 Å²	140.3	65%	0.65	77%	0.771	S	S	*	*			cis	-168.2	159.1	30.3	-20.5	0	0	0	0	111.9
562	E	27.6	Very low	28.9	Very low	172 Å²	172	144.9 Å²	144.9	80%	0.804	78%	0.783	S	S	*	*			trans	24.9	137.5	148.9	-72.2	156.3	-149.9	0	0	124.1
563	T	26	Very low	29.2	Very low	154 Å²	154	148.7 Å²	148.7	95%	0.945	79%	0.788	S	S	*	*				-168.9	165.2	124.1	18.2	0	0	0	0	111.7
564	A	28.7	Very low	29.4	Very low	83 Å²	83	153.5 Å²	153.5	69%	0.686	80%	0.795	S	S	*	*			trans	-110	-164.2	177.2	0	0	0	0	0	110.8
565	D	30.1	Very low	29.6	Very low	153 Å²	153	153.1 Å²	153.1	82%	0.818	80%	0.796	S	S	*	*			cis	-162.2	-161.9	21.9	-115.7	-38.9	0	0	0	111.2
566	E	29.9	Very low	30.4	Very low	184 Å²	184	152.8 Å²	152.8	86%	0.86	79%	0.794	S	S	*	*			trans	81.1	130.2	170.8	-51	179.9	171.1	0	0	116.3
567	E	30.8	Very low	31.3	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	80%	0.799	S	S	*	*			cis	86	139	19	-56	-157.3	130.7	0	0	117.1
568	E	29.8	Very low	31.8	Very low	166 Å²	166	154.4 Å²	154.4	78%	0.776	80%	0.798	S	S	*	*			cis	-128.1	-146.2	-1.2	-143.5	-151.8	129.2	0	0	110.7
569	E	30	Very low	31.8	Very low	153 Å²	153	155.5 Å²	155.5	72%	0.715	81%	0.805	S	S	*	*			cis	-146.5	-127.1	8	-168.2	-124.5	171.3	0	0	112.1
570	V	31.7	Very low	32	Very low	104 Å²	104	152.4 Å²	152.4	63%	0.63	80%	0.8	S	S	*	*			trans	-137.5	156.7	-157.7	160.3	0	0	0	0	111.1
571	A	30	Very low	32.2	Very low	95 Å²	95	153.4 Å²	153.4	79%	0.785	80%	0.804	S	S	*	*				171.5	167.4	107.4	0	0	0	0	0	114.8
572	Q	32.8	Very low	32.7	Very low	175 Å²	175	155.7 Å²	155.7	82%	0.818	81%	0.805	S	S	*	*			trans	-126.8	148.5	-170.5	-61.5	-175.9	1.4	0	0	116.5
573	R	32.6	Very low	33.4	Very low	230 Å²	230	153.4 Å²	153.4	87%	0.868	81%	0.805	S	S	*	*			trans	43.4	136.2	143.6	-70	-178.2	171	-170.9	-1.1	122.7
574	K	28.5	Very low	33.9	Very low	213 Å²	213	152.8 Å²	152.8	93%	0.926	79%	0.791	S	S	*	*			trans	-164.6	169.3	140.3	-107.4	153.4	-172	172.1	0	113.6
575	Q	30	Very low	34.3	Very low	185 Å²	185	155.8 Å²	155.8	86%	0.864	80%	0.801	S	S	*	*			trans	-130.8	-171.9	178.9	-73.6	-174.1	-30.5	0	0	109.3
576	P	56.3	Low	34.7	Very low	113 Å²	113	156.3 Å²	156.3	73%	0.734	80%	0.796	S	S	*	*				-117.3	-163.9	-63	39.3	-23.3	0	0	0	110.3
577	P	44.3	Very low	34.8	Very low	124 Å²	124	154 Å²	154	81%	0.805	79%	0.785	S	S	*	*				-155.1	-176.6	82.2	41.2	-19.8	0	0	0	116.9
578	Q	32.8	Very low	35.3	Very low	178 Å²	178	153.2 Å²	153.2	83%	0.832	78%	0.781	S	S	*	*			trans	-91.6	167.5	167.5	-125.3	-175.3	36.7	0	0	110.5
579	P	40.8	Very low	35.6	Very low	129 Å²	129	156.9 Å²	156.9	84%	0.838	81%	0.805	S	S	*	*				-155.9	177.2	66.9	42.2	-21.3	0	0	0	118.2
580	G	28.4	Very low	35.8	Very low	69 Å²	69	157.1 Å²	157.1	71%	0.711	81%	0.809	S	S	*	*			trans	169.2	133.4	163.7	0	0	0	0	0	114.1
581	R	31.4	Very low	36	Very low	247 Å²	247	159.8 Å²	159.8	93%	0.932	82%	0.819	S	S	*	*			trans	-142.8	127.6	-177.7	-95.5	-173.7	172.2	-176	-1.3	112.8
582	K	33.3	Very low	36.4	Very low	153 Å²	153	163.4 Å²	163.4	67%	0.665	82%	0.82	S	S	*	*			trans	59.4	158.3	147.7	-102	-173.9	178.2	-163.6	0	117.3	E584	K582-E584 IonicContact NZ-OE1 2.79Å; K582-E584 PolarHBondContact NZ-OE1 2.97Å; K582-E584 IonicContact NZ-OE2 3.03Å; K582-E584 PolarHBondContact NZ-OE2 3.18Å
583	P	44.1	Very low	36.6	Very low	125 Å²	125	162.8 Å²	162.8	81%	0.812	82%	0.821	S	S	*	*				-126.4	179.8	50.8	40.8	-27.1	0	0	0	116.3
584	E	36.4	Very low	36.8	Very low	140 Å²	140	158.6 Å²	158.6	65%	0.654	82%	0.818	S	S	*	*			trans	-92.1	150	173.2	-68.1	139.2	141.3	0	0	111.8	K582	K582-E584 IonicContact NZ-OE1 2.79Å; K582-E584 PolarHBondContact NZ-OE1 2.97Å; K582-E584 IonicContact NZ-OE2 3.03Å; K582-E584 PolarHBondContact NZ-OE2 3.18Å
585	V	36.2	Very low	37.4	Very low	146 Å²	146	154.9 Å²	154.9	89%	0.885	81%	0.81	S	S	*	*			trans	-137.8	153.7	146	-167.6	0	0	0	0	107.4
586	K	38.3	Very low	37.9	Very low	165 Å²	165	152.8 Å²	152.8	72%	0.717	81%	0.807	S	S	*	*			trans	-78.5	-164.8	169.7	-51.2	176.5	177.2	175.3	0	109.8
587	E	33	Very low	36.5	Very low	134 Å²	134	155.8 Å²	155.8	63%	0.626	81%	0.812	S	S	*	*			cis	-160	172.5	15.9	-144.7	136.7	-151.5	0	0	108.5
588	E	40	Very low	35.9	Very low	173 Å²	173	158.5 Å²	158.5	81%	0.808	81%	0.813	S	S	*	*			trans	11.9	119.6	159.7	-63.6	169.8	179.4	0	0	118
589	L	35.6	Very low	36.1	Very low	243 Å²	243	156.7 Å²	156.7	100%	1.272	81%	0.811	S	S	*	*				-161.8	0	67.5	-107.2	161.4	0	0	0	112.8

Retrieved 589 of 589 residues in 803.1 ms (Link to these results)

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