A0A077Z494_TRITR Loading...

Heat shock proteinB1 associated protein 1

May play a role in cellular stress response.

AlphaFold DB , UniProt , Accession A0A077Z494, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 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	29.1	Very low	28.4	Very low	248 Å²	248	161.9 Å²	161.9	100%	1.222	82%	0.815	S	S	*	*				0	101.8	0	-83.3	177.5	162.9	0	0	108
2	A	30.7	Very low	28.7	Very low	91 Å²	91	160.5 Å²	160.5	75%	0.752	82%	0.822	S	S	*	*			trans	-150.1	98	168.5	0	0	0	0	0	106.2
3	H	28.8	Very low	28.4	Very low	162 Å²	162	154.8 Å²	154.8	75%	0.75	81%	0.813	S	S	*	*			trans	-62.4	136.3	162.3	-87.1	-100.7	0	0	0	108.3
4	Y	29.9	Very low	28.4	Very low	219 Å²	219	154.8 Å²	154.8	86%	0.859	81%	0.814	S	S	*	*			trans	-126.3	98	154.6	-98.5	-83	0	0	0	107.3
5	D	29.2	Very low	28.3	Very low	115 Å²	115	150.1 Å²	150.1	62%	0.615	81%	0.807	S	S	*	*			trans	-69.2	135	167.1	-66.8	-45.6	0	0	0	109.5
6	F	29.2	Very low	28.5	Very low	204 Å²	204	153.4 Å²	153.4	90%	0.895	81%	0.811	S	S	*	*			trans	-139	95.3	150.7	-102.3	-83.3	0	0	0	107.6
7	I	26.2	Very low	28.4	Very low	128 Å²	128	157.4 Å²	157.4	66%	0.656	82%	0.82	S	S	*	*			trans	-94.1	127.4	160	-64.7	171.7	0	0	0	105.1
8	D	29.6	Very low	28.4	Very low	165 Å²	165	154.2 Å²	154.2	88%	0.882	81%	0.814	S	S	*	*			trans	-153.7	129.9	134.8	-116.8	-20.1	0	0	0	111.9
9	H	25.6	Very low	28.6	Very low	166 Å²	166	152.8 Å²	152.8	77%	0.769	82%	0.815	S	S	*	*			trans	-82.6	150.9	176.6	-89.5	-95.5	0	0	0	110
10	E	29.7	Very low	28.6	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	81%	0.811	S	S	*	*				147.5	113.4	126.9	-78.2	-164.1	154	0	0	113.7
11	S	24.4	Very low	28.8	Very low	107 Å²	107	151.4 Å²	151.4	75%	0.748	82%	0.815	S	S	*	*			trans	-17.5	126.8	148.8	52.4	0	0	0	0	117.6
12	T	32	Very low	28.9	Very low	145 Å²	145	145.7 Å²	145.7	89%	0.89	79%	0.793	S	S	*	*			trans	-140.3	124.9	135.4	38.2	0	0	0	0	110.1
13	A	25	Very low	28.9	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	79%	0.794	S	S	*	*			trans	-74.1	141	174.9	0	0	0	0	0	111
14	N	28.3	Very low	29.1	Very low	155 Å²	155	144 Å²	144	83%	0.829	79%	0.794	S	S	*	*				175.4	120.8	120.7	-95	-33.5	0	0	0	113.1
15	A	26.7	Very low	29.2	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	80%	0.795	S	S	*	*			trans	45.6	106.8	133.9	0	0	0	0	0	119.5
16	K	31.6	Very low	29.5	Very low	202 Å²	202	147.2 Å²	147.2	88%	0.878	81%	0.807	S	S	*	*				176.3	111	102.4	-93	169.8	-177.6	178.9	0	109	S18	K16-S18 PolarHBondContact O-N 2.75Å
17	K	27.2	Very low	29.7	Very low	222 Å²	222	146.4 Å²	146.4	97%	0.965	81%	0.806	S	S	*	*			trans	-68.1	107	172.1	-74.1	177.1	174	178.5	0	109
18	S	28.3	Very low	30.3	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	82%	0.817	S	S	*	*			trans	-108.4	136.3	156.6	47.9	0	0	0	0	108.1	K16 S20	K16-S18 PolarHBondContact O-N 2.75Å; S18-S20 PolarHBondContact O-N 2.98Å
19	P	31.8	Very low	31.1	Very low	128 Å²	128	147.4 Å²	147.4	83%	0.831	81%	0.812	S	S	*	*			trans	-76	104	-171	28.2	-26.3	0	0	0	108.8	L21	P19-L21 PolarHBondContact O-N 3.26Å
20	S	29.7	Very low	32.3	Very low	105 Å²	105	148.2 Å²	148.2	73%	0.734	82%	0.816	S	S	*	*			trans	-69.4	112.6	173	58.1	0	0	0	0	109.1	S18 V22	S18-S20 PolarHBondContact O-N 2.98Å; S20-V22 PolarHBondContact O-N 3.31Å; S20-V22 VanDerWaalsContact O-N 3.08Å
21	L	31.7	Very low	33.5	Very low	171 Å²	171	143.9 Å²	143.9	90%	0.895	81%	0.811	S	S	*	*			trans	-40.7	110.5	165.5	-76.1	137	0	0	0	110.4	P19 A23	P19-L21 PolarHBondContact O-N 3.26Å; L21-A23 VanDerWaalsContact C-N 3.32Å; L21-A23 PolarHBondContact O-N 2.84Å
22	V	32	Very low	35.2	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	79%	0.791	S	S	*	*			trans	-67.5	96.1	169.8	177.2	0	0	0	0	106.8	S20 T24	S20-V22 PolarHBondContact O-N 3.31Å; S20-V22 VanDerWaalsContact O-N 3.08Å; V22-T24 VanDerWaalsContact C-N 3.32Å; V22-T24 PolarHBondContact O-N 3.18Å
23	A	30.5	Very low	36.9	Very low	92 Å²	92	140 Å²	140	76%	0.76	78%	0.775	S	S	*	*			trans	-63.9	95.3	168.5	0	0	0	0	0	108.2	L21 K25	L21-A23 VanDerWaalsContact C-N 3.32Å; L21-A23 PolarHBondContact O-N 2.84Å; A23-K25 PolarHBondContact O-N 2.93Å
24	T	32.6	Very low	38.6	Very low	124 Å²	124	139.3 Å²	139.3	76%	0.761	76%	0.763	S	S	*	*			trans	-60.3	102.5	167.1	31.1	0	0	0	0	108	V22 K26	V22-T24 VanDerWaalsContact C-N 3.32Å; V22-T24 PolarHBondContact O-N 3.18Å; T24-K26 PolarHBondContact O-N 3.39Å
25	K	31.4	Very low	40.2	Very low	202 Å²	202	135.1 Å²	135.1	88%	0.878	74%	0.743	S	S	*	*			trans	-51.8	102.4	164.5	-84.9	177.5	172	177.1	0	107.5	A23 Q27	A23-K25 PolarHBondContact O-N 2.93Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.19Å
26	K	35.7	Very low	42.2	Very low	201 Å²	201	135.1 Å²	135.1	87%	0.874	73%	0.731	S	S	*	*			trans	-56.2	100.7	164.3	-91.1	-178.8	172.4	179	0	106.9	T24 K28	T24-K26 PolarHBondContact O-N 3.39Å; K26-K28 PolarHBondContact O-N 3.1Å; K26-K28 VanDerWaalsContact O-N 3.1Å
27	Q	34.2	Very low	43.9	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.874	71%	0.705	S	S	*	*			trans	-53.1	115.8	159.9	-83	173.6	-35.6	0	0	106	K25 S29	K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.19Å; Q27-S29 PolarHBondContact O-N 3.42Å
28	K	38.4	Very low	45.7	Very low	200 Å²	200	118.7 Å²	118.7	87%	0.87	66%	0.661	S	S	*	*			trans	-57.5	109.3	167.3	-79.7	-179.9	173	-178.9	0	105.3	K26 E30	K26-K28 PolarHBondContact O-N 3.1Å; K26-K28 VanDerWaalsContact O-N 3.1Å; K28-E30 PolarHBondContact O-N 2.89Å
29	S	46.3	Very low	47.7	Very low	113 Å²	113	116.5 Å²	116.5	79%	0.79	65%	0.649	S	S	*	*			trans	-56.3	115.8	171.7	56.5	0	0	0	0	106.9	Q27 A31	Q27-S29 PolarHBondContact O-N 3.42Å; S29-A31 PolarHBondContact O-N 3.05Å
30	E	50.4	Low	49.6	Very low	183 Å²	183	118.2 Å²	118.2	86%	0.855	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-51.8	134.7	170.9	-77.2	176.3	158.3	0	0	108.6	K28	K28-E30 PolarHBondContact O-N 2.89Å
31	A	54.2	Low	51.4	Low	85 Å²	85	117.3 Å²	117.3	70%	0.702	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-58.4	129.2	177.6	0	0	0	0	0	108	S29 H33	S29-A31 PolarHBondContact O-N 3.05Å; A31-H33 PolarHBondContact O-N 2.92Å
32	P	62.1	Low	53.3	Low	53 Å²	53	111 Å²	111	34%	0.344	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-59.1	141.5	-177.9	19.1	-27.9	0	0	0	110.4	Q37	P32-Q37 HydrophobicContact CB-CG 4.1Å; P32-Q37 HydrophobicContact CG-CG 3.8Å; P32-Q37 PolarHBondContact O-NE2 2.99Å
33	H	66.4	Low	55.3	Low	119 Å²	119	109.2 Å²	109.2	55%	0.551	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-51.4	140.8	-179	-169.4	-93.6	0	0	0	110.3	A31 V35 D36 Q37	A31-H33 PolarHBondContact O-N 2.92Å; H33-V35 WeakPolarHBondContact ND1-CB 3.26Å; H33-V35 PolarHBondContact ND1-N 2.88Å; H33-V35 PolarHBondContact O-N 2.69Å; H33-V35 VanDerWaalsContact O-N 3.08Å; H33-D36 WeakPolarHBondContact O-CA 3.2Å; H33-D36 WeakPolarHBondContact O-CB 3.5Å; H33-D36 PolarHBondContact O-N 2.85Å; H33-Q37 PolarHBondContact O-N 3.2Å
34	P	60.9	Low	57.3	Low	70 Å²	70	111.1 Å²	111.1	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-51.4	-37.6	-177.2	-29	35.1	0	0	0	113.5	Q37 L38 V521	P34-Q37 PolarHBondContact O-N 3.01Å; P34-L38 WeakPolarHBondContact O-CB 3.4Å; P34-L38 PolarHBondContact O-N 2.94Å; P34-V521 HydrophobicContact CB-CG2 3.79Å
35	V	61.8	Low	59.1	Low	67 Å²	67	105.8 Å²	105.8	41%	0.406	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-37.1	175.9	-178.6	0	0	0	0	112.5	H33 L38 A39	H33-V35 WeakPolarHBondContact ND1-CB 3.26Å; H33-V35 PolarHBondContact ND1-N 2.88Å; H33-V35 PolarHBondContact O-N 2.69Å; H33-V35 VanDerWaalsContact O-N 3.08Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.42Å; V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 2.79Å
36	D	69	Low	61.1	Low	85 Å²	85	102.8 Å²	102.8	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-71.6	-34.3	176.3	-67.4	-32.5	0	0	0	112	H33 L38 R40	H33-D36 WeakPolarHBondContact O-CA 3.2Å; H33-D36 WeakPolarHBondContact O-CB 3.5Å; H33-D36 PolarHBondContact O-N 2.85Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 3.22Å; D36-R40 VanDerWaalsContact O-N 3.14Å
37	Q	67.3	Low	63.1	Low	72 Å²	72	96.5 Å²	96.5	34%	0.336	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-41.9	172.1	-63.9	-171.2	28.8	0	0	110.6	P32 H33 P34 R40 R41	P32-Q37 HydrophobicContact CB-CG 4.1Å; P32-Q37 HydrophobicContact CG-CG 3.8Å; P32-Q37 PolarHBondContact O-NE2 2.99Å; H33-Q37 PolarHBondContact O-N 3.2Å; P34-Q37 PolarHBondContact O-N 3.01Å; Q37-R40 PolarHBondContact O-N 2.94Å; Q37-R41 WeakPolarHBondContact O-CG 3.29Å; Q37-R41 PolarHBondContact O-N 2.72Å; Q37-R41 VanDerWaalsContact O-N 3.12Å
38	L	64.5	Low	64.9	Low	7 Å²	7	90.4 Å²	90.4	4%	0.037	46%	0.461	C	S	.	.	H	α-helix	trans	-61.7	-47	175	179.4	61.1	0	0	0	111.5	P34 V35 D36 R40 R41 C42 I439 V524	P34-L38 WeakPolarHBondContact O-CB 3.4Å; P34-L38 PolarHBondContact O-N 2.94Å; V35-L38 WeakPolarHBondContact O-CB 3.37Å; V35-L38 PolarHBondContact O-N 3.42Å; D36-L38 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.94Å; L38-R41 PolarHBondContact O-N 3.05Å; L38-R41 VanDerWaalsContact O-N 3.1Å; L38-C42 PolarHBondContact O-N 3.18Å; L38-C42 PolarHBondContact O-SG 3.02Å; L38-I439 HydrophobicContact CD1-CD1 3.2Å; L38-V524 HydrophobicContact CD2-CB 3.67Å; L38-V524 HydrophobicContact CD2-CG1 3.43Å; L38-V524 VanDerWaalsContact CD2-CG1 3.43Å; L38-V524 HydrophobicContact CD2-CG2 4.26Å
39	A	70.7	Confident	66.4	Low	55 Å²	55	81.8 Å²	81.8	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-58.4	-46.2	178.3	0	0	0	0	0	112.1	V35 R41 C42 E43	V35-A39 WeakPolarHBondContact O-CB 3.33Å; V35-A39 PolarHBondContact O-N 2.79Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 2.85Å; A39-C42 PolarHBondContact O-N 3.38Å; A39-E43 PolarHBondContact O-N 3.32Å
40	R	71.3	Confident	67.8	Low	163 Å²	163	80.5 Å²	80.5	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-61.5	-36	175.6	-76.1	-174.6	-111.7	-151.9	-5.8	112.8	D36 Q37 L38 K44	D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 3.22Å; D36-R40 VanDerWaalsContact O-N 3.14Å; Q37-R40 PolarHBondContact O-N 2.94Å; L38-R40 PolarHBondContact O-N 2.94Å; R40-K44 PolarHBondContact O-N 2.9Å; R40-K44 VanDerWaalsContact O-N 3.11Å
41	R	68.5	Low	69	Low	87 Å²	87	81 Å²	81	33%	0.328	40%	0.4	S	S	.	.	H	α-helix	trans	-74.2	-37.2	177.3	-71.1	176.8	-173.4	-151.8	11.1	112	Q37 L38 A39 E43 K44 L45 P438	Q37-R41 WeakPolarHBondContact O-CG 3.29Å; Q37-R41 PolarHBondContact O-N 2.72Å; Q37-R41 VanDerWaalsContact O-N 3.12Å; L38-R41 PolarHBondContact O-N 3.05Å; L38-R41 VanDerWaalsContact O-N 3.1Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 2.85Å; R41-E43 VanDerWaalsContact C-N 3.28Å; R41-E43 PolarHBondContact O-N 3.1Å; R41-K44 WeakPolarHBondContact O-CB 3.42Å; R41-K44 PolarHBondContact O-N 3.3Å; R41-K44 VanDerWaalsContact O-N 3.14Å; R41-L45 PolarHBondContact O-N 3.25Å; R41-P438 PolarHBondContact NH1-O 3.4Å
42	C	70.4	Confident	69.7	Low	39 Å²	39	78.6 Å²	78.6	26%	0.264	38%	0.375	S	S	.	.	H	α-helix	trans	-60.8	-39.2	171.6	-66.5	0	0	0	0	111.3	L38 A39 L45 R46	L38-C42 PolarHBondContact O-N 3.18Å; L38-C42 PolarHBondContact O-SG 3.02Å; A39-C42 PolarHBondContact O-N 3.38Å; C42-L45 WeakPolarHBondContact O-CB 3.35Å; C42-L45 PolarHBondContact O-N 3.47Å; C42-R46 WeakPolarHBondContact O-CB 3.4Å; C42-R46 PolarHBondContact O-N 3.47Å
43	E	74.6	Confident	69.9	Low	89 Å²	89	80.5 Å²	80.5	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-39	173.6	-171.5	57.7	-150.4	0	0	111.7	A39 R41 R46 N47	A39-E43 PolarHBondContact O-N 3.32Å; R41-E43 VanDerWaalsContact C-N 3.28Å; R41-E43 PolarHBondContact O-N 3.1Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-N47 PolarHBondContact O-N 2.93Å; E43-N47 PolarHBondContact O-ND2 2.99Å; E43-N47 PolarHBondContact OE1-ND2 2.73Å
44	K	73.2	Confident	70.3	Confident	132 Å²	132	78.1 Å²	78.1	57%	0.574	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-44.1	173.2	-172	-177.4	178	-174.1	0	111.9	R40 R41 N47 Q48	R40-K44 PolarHBondContact O-N 2.9Å; R40-K44 VanDerWaalsContact O-N 3.11Å; R41-K44 WeakPolarHBondContact O-CB 3.42Å; R41-K44 PolarHBondContact O-N 3.3Å; R41-K44 VanDerWaalsContact O-N 3.14Å; K44-N47 PolarHBondContact O-N 3.44Å; K44-Q48 WeakPolarHBondContact O-CG 3.27Å; K44-Q48 PolarHBondContact O-N 2.77Å
45	L	69.7	Low	70.6	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.063	37%	0.369	C	S	.	.	H	α-helix	trans	-56.6	-49.7	174.5	167.1	62.7	0	0	0	110.6	R41 C42 N47 Q48 L49 I435 L436	R41-L45 PolarHBondContact O-N 3.25Å; C42-L45 WeakPolarHBondContact O-CB 3.35Å; C42-L45 PolarHBondContact O-N 3.47Å; L45-N47 PolarHBondContact O-N 3.22Å; L45-Q48 PolarHBondContact O-N 3.33Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.9Å; L45-L49 HydrophobicContact CG-CD1 4.06Å; L45-L49 HydrophobicContact CG-CG 4.48Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.11Å; L45-I435 HydrophobicContact CB-CG2 3.73Å; L45-I435 HydrophobicContact CD1-CB 3.76Å; L45-I435 HydrophobicContact CD1-CD1 3.31Å; L45-I435 HydrophobicContact CD1-CG1 4.1Å; L45-I435 HydrophobicContact CD1-CG2 3.54Å; L45-I435 HydrophobicContact CG-CG2 4.18Å; L45-L436 HydrophobicContact CD2-CD1 4.27Å; L45-L436 HydrophobicContact CD2-CD2 4.05Å; L45-L436 HydrophobicContact CD2-CG 4.21Å
46	R	74.4	Confident	70.5	Confident	140 Å²	140	75.5 Å²	75.5	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-54.7	-49.7	176.5	-177.8	-173.5	170.6	-172.1	-0	111.8	C42 E43 Q48 L49 E50	C42-R46 WeakPolarHBondContact O-CB 3.4Å; C42-R46 PolarHBondContact O-N 3.47Å; E43-R46 PolarHBondContact O-N 2.88Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.38Å; R46-L49 PolarHBondContact O-N 3.31Å; R46-E50 IonicContact CZ-OE1 3.85Å; R46-E50 IonicContact NE-OE1 3.89Å; R46-E50 PolarHBondContact NE-OE1 2.9Å; R46-E50 IonicContact NH2-OE1 2.95Å; R46-E50 PolarHBondContact NH2-OE1 2.94Å; R46-E50 WeakPolarHBondContact O-CG 3.45Å; R46-E50 PolarHBondContact O-N 3.26Å
47	N	76.8	Confident	70	Confident	69 Å²	69	73.8 Å²	73.8	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-36.5	178.5	-76.6	-65.6	0	0	0	112.8	E43 K44 L45 R51	E43-N47 PolarHBondContact O-N 2.93Å; E43-N47 PolarHBondContact O-ND2 2.99Å; E43-N47 PolarHBondContact OE1-ND2 2.73Å; K44-N47 PolarHBondContact O-N 3.44Å; L45-N47 PolarHBondContact O-N 3.22Å; N47-R51 WeakPolarHBondContact O-CG 3.39Å; N47-R51 PolarHBondContact O-N 3.27Å; N47-R51 VanDerWaalsContact O-N 3.16Å
48	Q	72.5	Confident	69.3	Low	58 Å²	58	77.5 Å²	77.5	27%	0.271	37%	0.365	S	S	.	.	H	α-helix	trans	-69.7	-42.7	176.1	-72.6	-179.7	-55.7	0	0	111.9	K44 L45 R46 E50 R51 L52 I435	K44-Q48 WeakPolarHBondContact O-CG 3.27Å; K44-Q48 PolarHBondContact O-N 2.77Å; L45-Q48 PolarHBondContact O-N 3.33Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; R46-Q48 VanDerWaalsContact C-N 3.31Å; R46-Q48 PolarHBondContact O-N 3.38Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; Q48-R51 PolarHBondContact O-N 3.06Å; Q48-L52 WeakPolarHBondContact O-CD1 3.32Å; Q48-L52 PolarHBondContact O-N 2.91Å; Q48-L52 VanDerWaalsContact O-N 3.15Å; Q48-I435 HydrophobicContact CB-CD1 4.43Å
49	L	69.5	Low	68.3	Low	20 Å²	20	84.4 Å²	84.4	11%	0.105	40%	0.397	C	S	.	.	H	α-helix	trans	-63.1	-38.8	174.7	-72.1	179.9	0	0	0	112.1	L45 R46 L52 R53 I537 L541	L45-L49 HydrophobicContact CD1-CD1 3.82Å; L45-L49 HydrophobicContact CD1-CG 3.9Å; L45-L49 HydrophobicContact CG-CD1 4.06Å; L45-L49 HydrophobicContact CG-CG 4.48Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.11Å; R46-L49 PolarHBondContact O-N 3.31Å; L49-L52 HydrophobicContact CD2-CD1 4.42Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-R53 PolarHBondContact O-N 3.06Å; L49-I537 HydrophobicContact CD1-CG2 4.13Å; L49-L541 HydrophobicContact CB-CD2 4.11Å; L49-L541 HydrophobicContact CD2-CD1 4.14Å; L49-L541 HydrophobicContact CD2-CD2 4.27Å
50	E	76.3	Confident	66.6	Low	85 Å²	85	85.8 Å²	85.8	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-39.6	174.9	-76.1	179.1	-174.1	0	0	112	R46 Q48 R53 S54	R46-E50 IonicContact CZ-OE1 3.85Å; R46-E50 IonicContact NE-OE1 3.89Å; R46-E50 PolarHBondContact NE-OE1 2.9Å; R46-E50 IonicContact NH2-OE1 2.95Å; R46-E50 PolarHBondContact NH2-OE1 2.94Å; R46-E50 WeakPolarHBondContact O-CG 3.45Å; R46-E50 PolarHBondContact O-N 3.26Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; E50-R53 PolarHBondContact O-N 3.08Å; E50-S54 PolarHBondContact O-N 2.9Å; E50-S54 PolarHBondContact O-OG 2.91Å
51	R	74.9	Confident	64.9	Low	193 Å²	193	83.6 Å²	83.6	73%	0.728	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-42.3	174.5	-72.8	175.4	-170.7	-168.2	1.1	112.7	N47 Q48 R53 S54 S55	N47-R51 WeakPolarHBondContact O-CG 3.39Å; N47-R51 PolarHBondContact O-N 3.27Å; N47-R51 VanDerWaalsContact O-N 3.16Å; Q48-R51 PolarHBondContact O-N 3.06Å; R51-R53 VanDerWaalsContact C-N 3.35Å; R51-S54 WeakPolarHBondContact O-CB 3.44Å; R51-S54 PolarHBondContact O-N 2.94Å; R51-S55 PolarHBondContact O-N 3.43Å
52	L	68.1	Low	63.2	Low	35 Å²	35	84.6 Å²	84.6	18%	0.183	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-40.6	177.3	-76.9	153.7	0	0	0	112.3	Q48 L49 S54 S55 L56 L456	Q48-L52 WeakPolarHBondContact O-CD1 3.32Å; Q48-L52 PolarHBondContact O-N 2.91Å; Q48-L52 VanDerWaalsContact O-N 3.15Å; L49-L52 HydrophobicContact CD2-CD1 4.42Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.38Å; L52-S55 WeakPolarHBondContact CA-OG 3.42Å; L52-S55 PolarHBondContact O-N 3.35Å; L52-S55 PolarHBondContact O-OG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 2.99Å; L52-L456 HydrophobicContact CD1-CD1 3.77Å; L52-L456 HydrophobicContact CD1-CD2 3.18Å; L52-L456 HydrophobicContact CD1-CG 4.04Å; L52-L456 HydrophobicContact CD2-CB 4.29Å; L52-L456 HydrophobicContact CD2-CD1 3.94Å; L52-L456 HydrophobicContact CD2-CD2 3.98Å; L52-L456 HydrophobicContact CD2-CG 4.26Å; L52-L456 HydrophobicContact CG-CD1 4.29Å; L52-L456 HydrophobicContact CG-CD2 4.17Å
53	R	68.2	Low	61.3	Low	94 Å²	94	85.7 Å²	85.7	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-59	-43.2	173.4	-175	-179.5	177.4	-155.1	-4.6	111.1	L49 E50 R51 N57 L541	L49-R53 PolarHBondContact O-N 3.06Å; E50-R53 PolarHBondContact O-N 3.08Å; R51-R53 VanDerWaalsContact C-N 3.35Å; R53-N57 PolarHBondContact O-N 3.09Å; R53-N57 PolarHBondContact O-ND2 2.82Å; R53-L541 HydrophobicContact CB-CD2 4.49Å
54	S	73.3	Confident	59.2	Low	68 Å²	68	88.8 Å²	88.8	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.2	-61.6	0	0	0	0	112.5	E50 R51 L52 L56 N57 E58	E50-S54 PolarHBondContact O-N 2.9Å; E50-S54 PolarHBondContact O-OG 2.91Å; R51-S54 WeakPolarHBondContact O-CB 3.44Å; R51-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact C-N 3.29Å; L52-S54 PolarHBondContact O-N 3.38Å; S54-L56 PolarHBondContact O-N 3.2Å; S54-N57 PolarHBondContact O-N 2.9Å; S54-E58 PolarHBondContact O-N 2.98Å
55	S	67.3	Low	57.1	Low	56 Å²	56	86.5 Å²	86.5	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-38.2	179.5	62.6	0	0	0	0	113	R51 L52 N57 E58 E59	R51-S55 PolarHBondContact O-N 3.43Å; L52-S55 WeakPolarHBondContact CA-OG 3.42Å; L52-S55 PolarHBondContact O-N 3.35Å; L52-S55 PolarHBondContact O-OG 3.23Å; S55-N57 VanDerWaalsContact C-N 3.28Å; S55-N57 PolarHBondContact O-N 3.01Å; S55-E58 PolarHBondContact O-N 2.86Å; S55-E59 PolarHBondContact O-N 3.47Å
56	L	60.8	Low	55	Low	26 Å²	26	94.6 Å²	94.6	14%	0.136	51%	0.513	C	S	.	.	H	α-helix	trans	-65.4	-31.2	176.7	-74.6	164.6	0	0	0	112.6	L52 S54 T60 F542 F545	L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 2.99Å; S54-L56 PolarHBondContact O-N 3.2Å; L56-T60 PolarHBondContact O-OG1 2.95Å; L56-F542 HydrophobicContact CD1-CE1 4.06Å; L56-F545 HydrophobicContact CB-CE2 4.18Å; L56-F545 HydrophobicContact CB-CZ 4.17Å; L56-F545 HydrophobicContact CD2-CZ 4.36Å
57	N	58.4	Low	52.8	Low	49 Å²	49	96.3 Å²	96.3	26%	0.262	53%	0.527	S	S	.	.	H	α-helix	trans	-75.7	-32.4	175.8	-70.9	-22.7	0	0	0	112.6	R53 S54 S55 T60 V61 T544	R53-N57 PolarHBondContact O-N 3.09Å; R53-N57 PolarHBondContact O-ND2 2.82Å; S54-N57 PolarHBondContact O-N 2.9Å; S55-N57 VanDerWaalsContact C-N 3.28Å; S55-N57 PolarHBondContact O-N 3.01Å; N57-T60 WeakPolarHBondContact CA-OG1 3.42Å; N57-T60 PolarHBondContact O-OG1 2.81Å; N57-T60 VanDerWaalsContact O-OG1 3.06Å; N57-V61 WeakPolarHBondContact O-CG2 3.35Å; N57-V61 PolarHBondContact O-N 3.37Å; N57-T544 PolarHBondContact OD1-OG1 3.23Å
58	E	51.5	Low	50.5	Low	151 Å²	151	99 Å²	99	71%	0.706	55%	0.549	S	S	*	.	H	α-helix	trans	-70	-38.9	178.7	-75.1	-179.5	-178.8	0	0	112.2	S54 S55 T60 V61	S54-E58 PolarHBondContact O-N 2.98Å; S55-E58 PolarHBondContact O-N 2.86Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.06Å; E58-V61 PolarHBondContact O-N 2.92Å
59	E	44.6	Very low	48.3	Very low	152 Å²	152	102 Å²	102	71%	0.71	57%	0.571	S	S	*	*	H	α-helix	trans	-64.5	-33.9	176.6	-74.4	-174.4	163.8	0	0	112.4	S55 S62	S55-E59 PolarHBondContact O-N 3.47Å; E59-S62 PolarHBondContact O-OG 2.92Å; E59-S62 VanDerWaalsContact O-OG 3.08Å
60	T	35.3	Very low	46.4	Very low	83 Å²	83	106.5 Å²	106.5	51%	0.509	60%	0.599	S	S	.	*	H	α-helix	trans	-76.9	-24.5	-178.4	30.6	0	0	0	0	114.1	L56 N57 E58 F545	L56-T60 PolarHBondContact O-OG1 2.95Å; N57-T60 WeakPolarHBondContact CA-OG1 3.42Å; N57-T60 PolarHBondContact O-OG1 2.81Å; N57-T60 VanDerWaalsContact O-OG1 3.06Å; E58-T60 VanDerWaalsContact C-N 3.29Å; E58-T60 PolarHBondContact O-N 3.06Å; T60-F545 HydrophobicContact CG2-CE1 4.07Å
61	V	34	Very low	44	Very low	117 Å²	117	108.6 Å²	108.6	71%	0.709	62%	0.618	S	S	*	*	H	α-helix	trans	-80.2	-19.4	-179	176.9	0	0	0	0	112.8	N57 E58 G63	N57-V61 WeakPolarHBondContact O-CG2 3.35Å; N57-V61 PolarHBondContact O-N 3.37Å; E58-V61 PolarHBondContact O-N 2.92Å; V61-G63 PolarHBondContact O-N 3.38Å
62	S	32.9	Very low	41.8	Very low	108 Å²	108	110.8 Å²	110.8	76%	0.755	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	0.2	-178.8	70	0	0	0	0	115.6	E59	E59-S62 PolarHBondContact O-OG 2.92Å; E59-S62 VanDerWaalsContact O-OG 3.08Å
63	G	31	Very low	40	Very low	63 Å²	63	116.2 Å²	116.2	65%	0.649	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-10.5	-176.8	0	0	0	0	0	116.9	V61	V61-G63 PolarHBondContact O-N 3.38Å
64	N	29.9	Very low	38.2	Very low	153 Å²	153	116.3 Å²	116.3	82%	0.818	68%	0.676	S	S	*	*	S	Bend	trans	-106.2	114.8	-176.4	-78	-20.7	0	0	0	111.8	E66	N64-E66 PolarHBondContact O-N 2.99Å; N64-E66 VanDerWaalsContact O-N 3.09Å
65	G	29.1	Very low	36.2	Very low	84 Å²	84	122.1 Å²	122.1	87%	0.866	70%	0.696	S	S	*	*			trans	-61.4	106.6	-179.2	0	0	0	0	0	112.7
66	E	27.4	Very low	34.4	Very low	183 Å²	183	128.3 Å²	128.3	86%	0.855	72%	0.716	S	S	*	*			trans	-119.2	119.5	150.1	-74.8	-172.3	158.2	0	0	107.3	N64 P68	N64-E66 PolarHBondContact O-N 2.99Å; N64-E66 VanDerWaalsContact O-N 3.09Å; E66-P68 WeakPolarHBondContact O-CD 3.44Å
67	Q	27.4	Very low	33.1	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	75%	0.751	S	S	*	*			trans	-56	122.1	173.9	-78.5	-177.7	-30.4	0	0	108.4	T69	Q67-T69 VanDerWaalsContact C-N 3.34Å; Q67-T69 PolarHBondContact O-N 3Å
68	P	28.2	Very low	31.6	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	78%	0.776	S	S	*	*			trans	-74.1	91.3	-177.8	28	-31.4	0	0	0	109.2	E66 T70	E66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-T70 PolarHBondContact O-N 2.96Å
69	T	27.2	Very low	30.7	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	78%	0.78	S	S	*	*			trans	-87.3	89.1	163.7	54.4	0	0	0	0	108.4	Q67	Q67-T69 VanDerWaalsContact C-N 3.34Å; Q67-T69 PolarHBondContact O-N 3Å
70	T	28.4	Very low	30	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	78%	0.781	S	S	*	*			trans	-159.5	122.6	149.8	27.9	0	0	0	0	109.3	P68 W72	P68-T70 PolarHBondContact O-N 2.96Å; T70-W72 PolarHBondContact O-N 3.31Å; T70-W72 VanDerWaalsContact O-N 3.15Å
71	V	27.5	Very low	30	Very low	129 Å²	129	138.2 Å²	138.2	78%	0.782	79%	0.792	S	S	*	*			trans	-47	109.8	169	176.3	0	0	0	0	108.8	D73	V71-D73 PolarHBondContact O-N 3.12Å
72	W	28.1	Very low	30	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.909	79%	0.79	S	S	*	*			trans	-78.8	99.9	171.8	-89.5	43	0	0	0	108.2	T70 A74	T70-W72 PolarHBondContact O-N 3.31Å; T70-W72 VanDerWaalsContact O-N 3.15Å; W72-A74 PolarHBondContact O-N 3Å
73	D	29.2	Very low	30.2	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	80%	0.796	S	S	*	*			trans	-61.6	121.7	164.9	-80.4	-38.6	0	0	0	109.2	V71 E75	V71-D73 PolarHBondContact O-N 3.12Å; D73-E75 PolarHBondContact O-N 2.81Å; D73-E75 VanDerWaalsContact O-N 3.14Å
74	A	30.8	Very low	30.7	Very low	96 Å²	96	148.1 Å²	148.1	79%	0.793	80%	0.802	S	S	*	*			trans	-77.9	92.9	-174.1	0	0	0	0	0	111	W72	W72-A74 PolarHBondContact O-N 3Å
75	E	31.3	Very low	31.1	Very low	191 Å²	191	150 Å²	150	89%	0.893	81%	0.806	S	S	*	*			trans	-123.8	93.5	157.6	-76.7	-165.2	158.7	0	0	111.2	D73	D73-E75 PolarHBondContact O-N 2.81Å; D73-E75 VanDerWaalsContact O-N 3.14Å
76	K	30.4	Very low	32.1	Very low	185 Å²	185	150.7 Å²	150.7	80%	0.804	79%	0.793	S	S	*	*			trans	-13	117.8	158	-66.5	172.7	174.6	178	0	115.6
77	N	32.2	Very low	33.5	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	78%	0.777	S	S	*	*			trans	-142.5	102.2	135.7	-89.5	-39.2	0	0	0	108.5	V79	N77-V79 PolarHBondContact O-N 2.87Å
78	D	28.5	Very low	34.7	Very low	145 Å²	145	142.5 Å²	142.5	78%	0.775	76%	0.76	S	S	*	*			trans	-58.1	109.9	178.7	-85.1	-48	0	0	0	111.6
79	V	31	Very low	36.1	Very low	131 Å²	131	141.5 Å²	141.5	79%	0.794	75%	0.748	S	S	*	*			trans	-123.7	80.8	151.1	-174	0	0	0	0	106.3	N77 V81	N77-V79 PolarHBondContact O-N 2.87Å; V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 HydrophobicContact CG1-CG2 4.46Å; V79-V81 PolarHBondContact O-N 3.28Å
80	S	31.3	Very low	37.7	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	74%	0.738	S	S	*	*			trans	-73.9	84.9	178.9	48	0	0	0	0	110.4	S82	S80-S82 PolarHBondContact O-N 3.12Å
81	V	33.7	Very low	38.9	Very low	123 Å²	123	137.1 Å²	137.1	75%	0.745	72%	0.721	S	S	*	*			trans	-76.6	100.4	157.5	-176.9	0	0	0	0	106.2	V79 R83	V79-V81 VanDerWaalsContact C-N 3.34Å; V79-V81 HydrophobicContact CG1-CG2 4.46Å; V79-V81 PolarHBondContact O-N 3.28Å; V81-R83 PolarHBondContact O-N 3.1Å
82	S	34.6	Very low	40.3	Very low	94 Å²	94	136.9 Å²	136.9	66%	0.657	72%	0.722	S	S	*	*			trans	-59.2	103.3	173.3	52.1	0	0	0	0	109.1	S80 E84	S80-S82 PolarHBondContact O-N 3.12Å; S82-E84 PolarHBondContact O-N 2.84Å
83	R	37.9	Very low	41.5	Very low	237 Å²	237	126.5 Å²	126.5	89%	0.894	69%	0.686	S	S	*	*			trans	-65.8	90.6	159.8	-82.2	178.8	165.3	166	-3.7	106.7	V81 E85	V81-R83 PolarHBondContact O-N 3.1Å; R83-E85 PolarHBondContact O-N 3.38Å
84	E	40.8	Very low	42.5	Very low	166 Å²	166	119.9 Å²	119.9	78%	0.776	65%	0.651	S	S	*	*			trans	-61	110	164.4	-74.3	179.2	159.8	0	0	107	S82 V86	S82-E84 PolarHBondContact O-N 2.84Å; E84-V86 PolarHBondContact O-N 3.03Å
85	E	39.1	Very low	43.8	Very low	192 Å²	192	122.6 Å²	122.6	90%	0.897	64%	0.64	S	S	*	*			trans	-60	105.9	169.5	-79.8	-176.6	150.8	0	0	107.9	R83 D87	R83-E85 PolarHBondContact O-N 3.38Å; E85-D87 PolarHBondContact O-N 3.43Å; E85-D87 VanDerWaalsContact O-N 3.16Å
86	V	48.4	Very low	44.9	Very low	99 Å²	99	117.7 Å²	117.7	60%	0.6	63%	0.625	S	S	*	*			trans	-68.7	111.7	175.8	179.1	0	0	0	0	107.9	E84 L88 L91	E84-V86 PolarHBondContact O-N 3.03Å; V86-L88 PolarHBondContact O-N 2.89Å; V86-L91 HydrophobicContact CG1-CD1 4.26Å; V86-L91 HydrophobicContact CG1-CD2 4.5Å; V86-L91 HydrophobicContact CG1-CG 4.42Å
87	D	58.5	Low	46	Very low	97 Å²	97	110.2 Å²	110.2	52%	0.519	60%	0.595	S	S	.	*			trans	-63.4	102.4	170.3	176.2	12.1	0	0	0	109.1	E85 L89 S90	E85-D87 PolarHBondContact O-N 3.43Å; E85-D87 VanDerWaalsContact O-N 3.16Å; D87-L89 PolarHBondContact O-N 2.79Å; D87-L89 VanDerWaalsContact O-N 3.13Å; D87-L89 PolarHBondContact OD1-N 3.31Å; D87-S90 VanDerWaalsContact O-CB 3.32Å; D87-S90 WeakPolarHBondContact O-CB 3.44Å; D87-S90 PolarHBondContact O-N 2.8Å; D87-S90 PolarHBondContact O-OG 2.74Å
88	L	52.1	Low	47.1	Very low	88 Å²	88	110 Å²	110	46%	0.461	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-57.8	-27.5	-178.8	-72.1	168.2	0	0	0	112.7	V86 S90 L91 V94	V86-L88 PolarHBondContact O-N 2.89Å; L88-S90 VanDerWaalsContact C-N 3.31Å; L88-L91 HydrophobicContact CD2-CD1 3.96Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 2.88Å; L88-V94 WeakPolarHBondContact O-CB 3.31Å; L88-V94 WeakPolarHBondContact O-CG1 3.49Å; L88-V94 VanDerWaalsContact O-CG2 3.29Å; L88-V94 WeakPolarHBondContact O-CG2 3.48Å
89	L	57.1	Low	48.3	Very low	107 Å²	107	111.5 Å²	111.5	56%	0.56	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-79.7	-14.5	178.6	-65	175.3	0	0	0	112.9	D87 L91 V94 P96	D87-L89 PolarHBondContact O-N 2.79Å; D87-L89 VanDerWaalsContact O-N 3.13Å; D87-L89 PolarHBondContact OD1-N 3.31Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L89-V94 HydrophobicContact CD2-CG1 4.21Å; L89-P96 HydrophobicContact CD2-CB 4.38Å
90	S	59.9	Low	49.2	Very low	78 Å²	78	107.8 Å²	107.8	55%	0.545	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-75.8	-20.6	170.3	77	0	0	0	0	112.6	D87 L88 P92	D87-S90 VanDerWaalsContact O-CB 3.32Å; D87-S90 WeakPolarHBondContact O-CB 3.44Å; D87-S90 PolarHBondContact O-N 2.8Å; D87-S90 PolarHBondContact O-OG 2.74Å; L88-S90 VanDerWaalsContact C-N 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.44Å
91	L	55	Low	49.8	Very low	64 Å²	64	109.9 Å²	109.9	34%	0.335	58%	0.582	S	S	.	*	S	Bend	trans	-72.3	120.6	179.3	-65.8	170.8	0	0	0	109.1	V86 L88 L89 T93 V94	V86-L91 HydrophobicContact CG1-CD1 4.26Å; V86-L91 HydrophobicContact CG1-CD2 4.5Å; V86-L91 HydrophobicContact CG1-CG 4.42Å; L88-L91 HydrophobicContact CD2-CD1 3.96Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 2.88Å; L89-L91 VanDerWaalsContact C-N 3.29Å; L91-T93 PolarHBondContact O-N 2.82Å; L91-V94 HydrophobicContact CB-CB 4.49Å; L91-V94 HydrophobicContact CB-CG2 3.91Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å; L91-V94 PolarHBondContact O-N 2.82Å
92	P	56.1	Low	50.1	Low	124 Å²	124	116.8 Å²	116.8	81%	0.805	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-14.6	-176.4	21.7	-31.4	0	0	0	113.5	S90	S90-P92 WeakPolarHBondContact O-CD 3.44Å
93	T	53.6	Low	50.6	Low	22 Å²	22	116.2 Å²	116.2	14%	0.135	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-13.5	176.3	56.1	0	0	0	0	113.9	L91 H109 D110 E113 L117	L91-T93 PolarHBondContact O-N 2.82Å; T93-H109 CarbonylContact O-C 3.52Å; T93-H109 WeakPolarHBondContact O-CA 3.43Å; T93-D110 PolarHBondContact O-N 3.21Å; T93-E113 HydrophobicContact CG2-CB 3.95Å; T93-E113 HydrophobicContact CG2-CG 3.51Å; T93-L117 HydrophobicContact CG2-CD1 4.29Å
94	V	50.1	Low	51	Low	9 Å²	9	108.5 Å²	108.5	6%	0.055	59%	0.585	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	109.9	-170.2	-178.3	0	0	0	0	109.7	L88 L89 L91 F107	L88-V94 WeakPolarHBondContact O-CB 3.31Å; L88-V94 WeakPolarHBondContact O-CG1 3.49Å; L88-V94 VanDerWaalsContact O-CG2 3.29Å; L88-V94 WeakPolarHBondContact O-CG2 3.48Å; L89-V94 HydrophobicContact CD2-CG1 4.21Å; L91-V94 HydrophobicContact CB-CB 4.49Å; L91-V94 HydrophobicContact CB-CG2 3.91Å; L91-V94 HydrophobicContact CD1-CG2 4.43Å; L91-V94 PolarHBondContact O-N 2.82Å; V94-F107 HydrophobicContact CG1-CB 3.45Å; V94-F107 VanDerWaalsContact CG1-CB 3.45Å; V94-F107 HydrophobicContact CG1-CD2 3.79Å; V94-F107 HydrophobicContact CG1-CG 3.75Å
95	R	59	Low	51.2	Low	152 Å²	152	104.6 Å²	104.6	57%	0.574	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.2	127.7	175.4	-59.9	-163.7	-167.3	-153.3	7.4	110.6	C97 F107 R108 D110	R95-C97 PolarHBondContact O-N 3.05Å; R95-F107 CarbonylContact O-C 3.44Å; R95-F107 WeakPolarHBondContact O-CA 3.46Å; R95-R108 PolarHBondContact N-O 3.07Å; R95-R108 PolarHBondContact O-N 2.91Å; R95-D110 IonicContact CZ-OD2 3.3Å; R95-D110 IonicContact NE-OD2 3.93Å; R95-D110 IonicContact NH2-OD2 3.96Å; R95-D110 PolarHBondContact NH2-OD2 2.78Å
96	P	54.5	Low	52	Low	88 Å²	88	97.5 Å²	97.5	57%	0.571	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.9	135.1	175.1	22.4	-30	0	0	0	111.7	L89 L98	L89-P96 HydrophobicContact CD2-CB 4.38Å; P96-L98 PolarHBondContact O-N 2.63Å
97	C	53.2	Low	52.6	Low	28 Å²	28	96 Å²	96	19%	0.189	54%	0.539	C	S	.	.			trans	-85.3	102.9	172.1	-87.8	0	0	0	0	109.4	R95 H99 G106 R108	R95-C97 PolarHBondContact O-N 3.05Å; C97-H99 PolarHBondContact O-N 2.68Å; C97-G106 PolarHBondContact N-O 3.35Å; C97-R108 PolarHBondContact SG-NE 2.93Å
98	L	53.9	Low	52.4	Low	162 Å²	162	100 Å²	100	85%	0.848	55%	0.546	S	S	*	.	S	Bend	trans	-58.6	-18.5	-180	-75.2	160.4	0	0	0	114.7	P96	P96-L98 PolarHBondContact O-N 2.63Å
99	H	53.9	Low	52.6	Low	175 Å²	175	98.6 Å²	98.6	81%	0.81	54%	0.537	S	S	*	.	S	Bend	trans	-130.4	80.7	178.5	-61.1	88.1	0	0	0	109.4	C97 Q101	C97-H99 PolarHBondContact O-N 2.68Å; H99-Q101 PolarHBondContact O-N 3.45Å
100	G	50.1	Low	53	Low	53 Å²	53	95.2 Å²	95.2	55%	0.546	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-75.1	118.2	177	0	0	0	0	0	111.4
101	Q	44.4	Very low	52.8	Low	149 Å²	149	95.5 Å²	95.5	70%	0.696	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-69.8	140.4	161	-75.9	-178.7	-12.5	0	0	109	H99 G103 C104	H99-Q101 PolarHBondContact O-N 3.45Å; Q101-G103 PolarHBondContact O-N 2.87Å; Q101-C104 PolarHBondContact O-N 3.48Å
102	W	40.5	Very low	53	Low	268 Å²	268	96.7 Å²	96.7	100%	1.015	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	124.2	177.6	-117.6	75.3	0	0	0	110.8
103	G	44	Very low	53.3	Low	83 Å²	83	94 Å²	94	86%	0.856	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	0.5	-179.2	0	0	0	0	0	116.3	Q101	Q101-G103 PolarHBondContact O-N 2.87Å
104	C	46	Very low	53.6	Low	74 Å²	74	99.4 Å²	99.4	50%	0.5	52%	0.524	S	S	.	.	S	Bend	trans	-96.1	141.5	170.8	-66.6	0	0	0	0	110.9	Q101 G106	Q101-C104 PolarHBondContact O-N 3.48Å; C104-G106 PolarHBondContact O-N 3.27Å
105	P	46.6	Very low	53.8	Low	85 Å²	85	104.3 Å²	104.3	55%	0.552	54%	0.542	S	S	*	.			trans	-55.1	129.6	170.4	-20.3	30.8	0	0	0	109.4	F107	P105-F107 HydrophobicContact CB-CD1 4.13Å; P105-F107 HydrophobicContact CB-CE1 3.79Å; P105-F107 HydrophobicContact CB-CE2 4.32Å; P105-F107 HydrophobicContact CB-CZ 3.89Å; P105-F107 PolarHBondContact O-N 3.27Å
106	G	55.1	Low	53.9	Low	43 Å²	43	103.5 Å²	103.5	44%	0.443	54%	0.539	S	S	.	.	S	Bend	trans	-67	17.6	-177.9	0	0	0	0	0	114.6	C97 C104	C97-G106 PolarHBondContact N-O 3.35Å; C104-G106 PolarHBondContact O-N 3.27Å
107	F	60.8	Low	54.3	Low	67 Å²	67	103.3 Å²	103.3	29%	0.294	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.3	-177.4	56.1	-89.5	0	0	0	111.7	V94 R95 P105 H109	V94-F107 HydrophobicContact CG1-CB 3.45Å; V94-F107 VanDerWaalsContact CG1-CB 3.45Å; V94-F107 HydrophobicContact CG1-CD2 3.79Å; V94-F107 HydrophobicContact CG1-CG 3.75Å; R95-F107 CarbonylContact O-C 3.44Å; R95-F107 WeakPolarHBondContact O-CA 3.46Å; P105-F107 HydrophobicContact CB-CD1 4.13Å; P105-F107 HydrophobicContact CB-CE1 3.79Å; P105-F107 HydrophobicContact CB-CE2 4.32Å; P105-F107 HydrophobicContact CB-CZ 3.89Å; P105-F107 PolarHBondContact O-N 3.27Å; F107-H109 AromaticContact CD2-NE2 3.81Å; F107-H109 AromaticContact CE2-NE2 3.55Å
108	R	54.6	Low	54.5	Low	181 Å²	181	105.5 Å²	105.5	68%	0.683	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.5	172.6	-97.6	-172.9	-86.5	-158	-5	108.9	R95 C97	R95-R108 PolarHBondContact N-O 3.07Å; R95-R108 PolarHBondContact O-N 2.91Å; C97-R108 PolarHBondContact SG-NE 2.93Å
109	H	57	Low	54.7	Low	59 Å²	59	98.4 Å²	98.4	27%	0.273	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.2	172.9	-68.5	-99.5	0	0	0	111	T93 F107 P111 R114	T93-H109 CarbonylContact O-C 3.52Å; T93-H109 WeakPolarHBondContact O-CA 3.43Å; F107-H109 AromaticContact CD2-NE2 3.81Å; F107-H109 AromaticContact CE2-NE2 3.55Å; H109-P111 VanDerWaalsContact O-CD 3.24Å; H109-P111 WeakPolarHBondContact O-CD 3.25Å; H109-R114 PolarHBondContact CD2-NH2 2.93Å; H109-R114 PolarHBondContact NE2-NH2 3.04Å
110	D	64.5	Low	55.3	Low	36 Å²	36	95 Å²	95	19%	0.193	49%	0.487	C	S	.	.			trans	-63.6	115.9	167.5	-163.6	-45.5	0	0	0	109.3	T93 R95 V112 E113 R114	T93-D110 PolarHBondContact O-N 3.21Å; R95-D110 IonicContact CZ-OD2 3.3Å; R95-D110 IonicContact NE-OD2 3.93Å; R95-D110 IonicContact NH2-OD2 3.96Å; R95-D110 PolarHBondContact NH2-OD2 2.78Å; D110-V112 PolarHBondContact O-N 2.74Å; D110-V112 PolarHBondContact OD1-N 2.6Å; D110-E113 HydrophobicContact CB-CB 4.18Å; D110-E113 PolarHBondContact O-N 2.99Å; D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 PolarHBondContact O-N 3.1Å
111	P	57.1	Low	55.8	Low	84 Å²	84	96.8 Å²	96.8	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-31.8	-177.1	-21.4	33	0	0	0	113	H109 Y115	H109-P111 VanDerWaalsContact O-CD 3.24Å; H109-P111 WeakPolarHBondContact O-CD 3.25Å; P111-Y115 VanDerWaalsContact O-CB 3.23Å; P111-Y115 WeakPolarHBondContact O-CB 3.22Å; P111-Y115 PolarHBondContact O-N 3.46Å
112	V	57.4	Low	56.6	Low	88 Å²	88	91.2 Å²	91.2	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-72.7	-41.9	-177.4	179.9	0	0	0	0	110.5	D110 Y115 R116	D110-V112 PolarHBondContact O-N 2.74Å; D110-V112 PolarHBondContact OD1-N 2.6Å; V112-Y115 WeakPolarHBondContact O-CB 3.27Å; V112-Y115 PolarHBondContact O-N 3.17Å; V112-R116 PolarHBondContact O-N 2.9Å
113	E	62.9	Low	57.8	Low	67 Å²	67	86.2 Å²	86.2	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-76.5	-38.8	-178.7	-159.3	58.4	-154.3	0	0	111.5	T93 D110 Y115 R116 L117	T93-E113 HydrophobicContact CG2-CB 3.95Å; T93-E113 HydrophobicContact CG2-CG 3.51Å; D110-E113 HydrophobicContact CB-CB 4.18Å; D110-E113 PolarHBondContact O-N 2.99Å; E113-Y115 PolarHBondContact O-N 3.13Å; E113-R116 PolarHBondContact O-N 3.37Å; E113-R116 VanDerWaalsContact O-N 3.09Å; E113-R116 WeakPolarHBondContact OE2-CD 2.99Å; E113-R116 IonicContact OE2-CZ 3.3Å; E113-R116 IonicContact OE2-NH1 2.79Å; E113-R116 PolarHBondContact OE2-NH1 2.95Å; E113-L117 WeakPolarHBondContact O-CG 3.38Å; E113-L117 PolarHBondContact O-N 3.32Å
114	R	59.5	Low	58.8	Low	136 Å²	136	87.8 Å²	87.8	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-60.1	-35.4	170.6	-164.9	-173.4	-96.5	-164.3	-14.9	111.1	H109 D110 Y118	H109-R114 PolarHBondContact CD2-NH2 2.93Å; H109-R114 PolarHBondContact NE2-NH2 3.04Å; D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 PolarHBondContact O-N 3.1Å; R114-Y118 WeakPolarHBondContact O-CB 3.43Å; R114-Y118 PolarHBondContact O-N 2.74Å
115	Y	55.1	Low	59.6	Low	112 Å²	112	86.6 Å²	86.6	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-45.4	171.1	165.2	-94.3	0	0	0	112.6	P111 V112 E113 L117 Y118 A119	P111-Y115 VanDerWaalsContact O-CB 3.23Å; P111-Y115 WeakPolarHBondContact O-CB 3.22Å; P111-Y115 PolarHBondContact O-N 3.46Å; V112-Y115 WeakPolarHBondContact O-CB 3.27Å; V112-Y115 PolarHBondContact O-N 3.17Å; E113-Y115 PolarHBondContact O-N 3.13Å; Y115-L117 PolarHBondContact O-N 3.09Å; Y115-Y118 PolarHBondContact O-N 3.13Å; Y115-A119 WeakPolarHBondContact O-CB 3.5Å; Y115-A119 PolarHBondContact O-N 2.81Å
116	R	61.2	Low	60.5	Low	135 Å²	135	84 Å²	84	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-59.1	-47.2	177.1	-77.6	-177.5	177	154.3	-7.4	111.8	V112 E113 Y118 A119 E120	V112-R116 PolarHBondContact O-N 2.9Å; E113-R116 PolarHBondContact O-N 3.37Å; E113-R116 VanDerWaalsContact O-N 3.09Å; E113-R116 WeakPolarHBondContact OE2-CD 2.99Å; E113-R116 IonicContact OE2-CZ 3.3Å; E113-R116 IonicContact OE2-NH1 2.79Å; E113-R116 PolarHBondContact OE2-NH1 2.95Å; R116-Y118 VanDerWaalsContact C-N 3.34Å; R116-Y118 PolarHBondContact O-N 3.32Å; R116-A119 PolarHBondContact O-N 3.3Å; R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 3.23Å
117	L	61.8	Low	60.8	Low	85 Å²	85	82.9 Å²	82.9	45%	0.445	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-45.3	175.6	-69.5	170.5	0	0	0	111.6	T93 E113 Y115 E120 E121	T93-L117 HydrophobicContact CG2-CD1 4.29Å; E113-L117 WeakPolarHBondContact O-CG 3.38Å; E113-L117 PolarHBondContact O-N 3.32Å; Y115-L117 PolarHBondContact O-N 3.09Å; L117-E120 PolarHBondContact O-N 3.36Å; L117-E121 WeakPolarHBondContact O-CG 3.27Å; L117-E121 PolarHBondContact O-N 3.15Å
118	Y	58.7	Low	60.8	Low	73 Å²	73	79.7 Å²	79.7	29%	0.286	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-42.7	176.4	-175.5	-92.3	0	0	0	112.5	R114 Y115 R116 E120 E121 W122 R137 M144	R114-Y118 WeakPolarHBondContact O-CB 3.43Å; R114-Y118 PolarHBondContact O-N 2.74Å; Y115-Y118 PolarHBondContact O-N 3.13Å; R116-Y118 VanDerWaalsContact C-N 3.34Å; R116-Y118 PolarHBondContact O-N 3.32Å; Y118-E120 VanDerWaalsContact C-N 3.32Å; Y118-E120 PolarHBondContact O-N 2.79Å; Y118-E121 PolarHBondContact O-N 3.06Å; Y118-W122 HydrophobicContact CE1-CB 4.46Å; Y118-W122 HydrophobicContact CE1-CD2 4.46Å; Y118-W122 AromaticContact CE1-CE3 3.99Å; Y118-W122 HydrophobicContact CE1-CE3 3.99Å; Y118-W122 AromaticContact CZ-CE3 3.68Å; Y118-W122 VanDerWaalsContact O-CB 3.26Å; Y118-W122 WeakPolarHBondContact O-CB 3.33Å; Y118-W122 PolarHBondContact O-N 2.88Å; Y118-W122 WeakPolarHBondContact OH-CZ3 3.3Å; Y118-R137 HydrophobicContact CE1-CG 4.4Å; Y118-M144 HydrophobicContact CE2-CE 4.45Å
119	A	58.7	Low	61.2	Low	13 Å²	13	72.4 Å²	72.4	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-38.3	178.7	0	0	0	0	0	111.6	Y115 R116 K123 R137	Y115-A119 WeakPolarHBondContact O-CB 3.5Å; Y115-A119 PolarHBondContact O-N 2.81Å; R116-A119 PolarHBondContact O-N 3.3Å; A119-K123 WeakPolarHBondContact O-CB 3.44Å; A119-K123 VanDerWaalsContact O-CG 3.23Å; A119-K123 WeakPolarHBondContact O-CG 3.25Å; A119-K123 PolarHBondContact O-N 3Å; A119-R137 PolarHBondContact O-NH2 2.94Å
120	E	65.2	Low	61.4	Low	104 Å²	104	70.9 Å²	70.9	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-66.7	-48	173.8	-75	178.3	-173.1	0	0	112	R116 L117 Y118 K123 K124	R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 3.23Å; L117-E120 PolarHBondContact O-N 3.36Å; Y118-E120 VanDerWaalsContact C-N 3.32Å; Y118-E120 PolarHBondContact O-N 2.79Å; E120-K123 PolarHBondContact O-N 3.06Å; E120-K124 WeakPolarHBondContact O-CG 3.19Å; E120-K124 PolarHBondContact O-N 3.16Å; E120-K124 VanDerWaalsContact O-N 3.13Å
121	E	61.7	Low	60.8	Low	90 Å²	90	72.9 Å²	72.9	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-41	177.7	-74	-59.8	116.1	0	0	112	L117 Y118 K123 K124 F125	L117-E121 WeakPolarHBondContact O-CG 3.27Å; L117-E121 PolarHBondContact O-N 3.15Å; Y118-E121 PolarHBondContact O-N 3.06Å; E121-K123 VanDerWaalsContact C-N 3.34Å; E121-K123 PolarHBondContact O-N 2.88Å; E121-K124 WeakPolarHBondContact O-CA 3.17Å; E121-K124 WeakPolarHBondContact O-CB 3.38Å; E121-K124 PolarHBondContact O-N 2.87Å; E121-K124 IonicContact OE1-NZ 2.92Å; E121-K124 PolarHBondContact OE1-NZ 2.84Å; E121-F125 WeakPolarHBondContact O-CD2 3.35Å; E121-F125 PolarHBondContact O-N 3.17Å; E121-F125 WeakPolarHBondContact OE2-CE2 3.17Å
122	W	60.9	Low	60.6	Low	32 Å²	32	73.4 Å²	73.4	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-36.6	175.4	-172	-72.6	0	0	0	112.5	Y118 K124 F125 I127 E130 R137	Y118-W122 HydrophobicContact CE1-CB 4.46Å; Y118-W122 HydrophobicContact CE1-CD2 4.46Å; Y118-W122 AromaticContact CE1-CE3 3.99Å; Y118-W122 HydrophobicContact CE1-CE3 3.99Å; Y118-W122 AromaticContact CZ-CE3 3.68Å; Y118-W122 VanDerWaalsContact O-CB 3.26Å; Y118-W122 WeakPolarHBondContact O-CB 3.33Å; Y118-W122 PolarHBondContact O-N 2.88Å; Y118-W122 WeakPolarHBondContact OH-CZ3 3.3Å; W122-K124 PolarHBondContact O-N 2.89Å; W122-F125 CarbonylContact O-C 3.39Å; W122-F125 PolarHBondContact O-N 3.16Å; W122-I127 HydrophobicContact CH2-CD1 3.7Å; W122-I127 HydrophobicContact CH2-CG1 3.94Å; W122-I127 HydrophobicContact CZ3-CD1 4.03Å; W122-I127 HydrophobicContact CZ3-CG1 4.3Å; W122-E130 VanDerWaalsContact CH2-OE2 3.31Å; W122-E130 WeakPolarHBondContact CH2-OE2 3.48Å; W122-E130 HydrophobicContact CZ2-CB 4.18Å; W122-E130 WeakPolarHBondContact CZ2-OE2 3.4Å; W122-R137 VanDerWaalsContact CD1-NE 3.31Å
123	K	65.4	Low	60.2	Low	164 Å²	164	71.8 Å²	71.8	71%	0.713	32%	0.323	S	S	*	.	H	α-helix	trans	-62.5	-30.6	172.6	-80.5	176.1	-178.8	-174.6	0	111.7	A119 E120 E121	A119-K123 WeakPolarHBondContact O-CB 3.44Å; A119-K123 VanDerWaalsContact O-CG 3.23Å; A119-K123 WeakPolarHBondContact O-CG 3.25Å; A119-K123 PolarHBondContact O-N 3Å; E120-K123 PolarHBondContact O-N 3.06Å; E121-K123 VanDerWaalsContact C-N 3.34Å; E121-K123 PolarHBondContact O-N 2.88Å
124	K	64.4	Low	59.2	Low	115 Å²	115	71.9 Å²	71.9	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-79.2	-32.5	176.3	-65.3	171.6	-165.4	166.8	0	112.9	E120 E121 W122	E120-K124 WeakPolarHBondContact O-CG 3.19Å; E120-K124 PolarHBondContact O-N 3.16Å; E120-K124 VanDerWaalsContact O-N 3.13Å; E121-K124 WeakPolarHBondContact O-CA 3.17Å; E121-K124 WeakPolarHBondContact O-CB 3.38Å; E121-K124 PolarHBondContact O-N 2.87Å; E121-K124 IonicContact OE1-NZ 2.92Å; E121-K124 PolarHBondContact OE1-NZ 2.84Å; W122-K124 PolarHBondContact O-N 2.89Å
125	F	63	Low	58.6	Low	49 Å²	49	67.1 Å²	67.1	22%	0.215	31%	0.311	C	S	.	.	S	Bend	trans	-135.9	66.5	-172.7	-49.8	-69.9	0	0	0	112.3	E121 W122 I127 K457	E121-F125 WeakPolarHBondContact O-CD2 3.35Å; E121-F125 PolarHBondContact O-N 3.17Å; E121-F125 WeakPolarHBondContact OE2-CE2 3.17Å; W122-F125 CarbonylContact O-C 3.39Å; W122-F125 PolarHBondContact O-N 3.16Å; F125-I127 PolarHBondContact O-N 2.88Å; F125-K457 HydrophobicContact CD1-CB 4.11Å; F125-K457 HydrophobicContact CD1-CD 4.19Å; F125-K457 HydrophobicContact CE1-CB 4.18Å; F125-K457 HydrophobicContact CE1-CD 3.45Å; F125-K457 VanDerWaalsContact CE1-CD 3.45Å; F125-K457 HydrophobicContact CE1-CG 4.45Å; F125-K457 HydrophobicContact CZ-CD 3.65Å
126	P	64.7	Low	58	Low	31 Å²	31	63.9 Å²	63.9	20%	0.201	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.3	136.9	174.2	27.7	-33.3	0	0	0	110
127	I	61.8	Low	57.3	Low	19 Å²	19	60 Å²	60	10%	0.097	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.1	137.5	171.3	-60.2	179.3	0	0	0	108	W122 F125 G129 E130 V461	W122-I127 HydrophobicContact CH2-CD1 3.7Å; W122-I127 HydrophobicContact CH2-CG1 3.94Å; W122-I127 HydrophobicContact CZ3-CD1 4.03Å; W122-I127 HydrophobicContact CZ3-CG1 4.3Å; F125-I127 PolarHBondContact O-N 2.88Å; I127-G129 PolarHBondContact O-N 2.89Å; I127-E130 HydrophobicContact CB-CB 4.32Å; I127-E130 HydrophobicContact CB-CG 4.44Å; I127-E130 PolarHBondContact O-N 3.05Å; I127-V461 HydrophobicContact CD1-CG1 4.24Å; I127-V461 HydrophobicContact CG1-CG1 4.18Å
128	P	61.9	Low	56.3	Low	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.6	177.2	-29.8	36.6	0	0	0	112.4	E130 Y325 E359 R423 E426 A427 I458	P128-E130 PolarHBondContact O-N 3.39Å; P128-Y325 VanDerWaalsContact C-OH 3.27Å; P128-Y325 WeakPolarHBondContact CB-OH 3.41Å; P128-E359 WeakPolarHBondContact CA-OE1 3.5Å; P128-E359 HydrophobicContact CB-CG 4.2Å; P128-R423 WeakPolarHBondContact O-CG 3.3Å; P128-E426 HydrophobicContact CB-CB 4.04Å; P128-A427 HydrophobicContact CG-CB 4.33Å; P128-I458 VanDerWaalsContact CD-CG2 3.45Å; P128-I458 HydrophobicContact CG-CG2 3.57Å
129	G	61.4	Low	55.6	Low	29 Å²	29	61.2 Å²	61.2	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.4	-175.1	0	0	0	0	0	115.5	I127 Y325 E359	I127-G129 PolarHBondContact O-N 2.89Å; G129-Y325 PolarHBondContact N-OH 3.45Å; G129-E359 PolarHBondContact N-OE1 3.36Å
130	E	62.1	Low	54.9	Low	27 Å²	27	62.7 Å²	62.7	13%	0.126	30%	0.301	C	S	.	.			trans	-114.2	22	-179.9	-61.7	-166.4	174.3	0	0	113.4	W122 I127 P128 K132 R423	W122-E130 VanDerWaalsContact CH2-OE2 3.31Å; W122-E130 WeakPolarHBondContact CH2-OE2 3.48Å; W122-E130 HydrophobicContact CZ2-CB 4.18Å; W122-E130 WeakPolarHBondContact CZ2-OE2 3.4Å; I127-E130 HydrophobicContact CB-CB 4.32Å; I127-E130 HydrophobicContact CB-CG 4.44Å; I127-E130 PolarHBondContact O-N 3.05Å; P128-E130 PolarHBondContact O-N 3.39Å; E130-K132 PolarHBondContact O-N 3.44Å; E130-R423 IonicContact OE1-CZ 3.44Å; E130-R423 IonicContact OE1-NE 2.74Å; E130-R423 IonicContact OE1-NH2 3.7Å; E130-R423 PolarHBondContact OE1-NH2 2.82Å
131	K	51.1	Low	53.8	Low	77 Å²	77	63.7 Å²	63.7	34%	0.335	30%	0.301	S	S	.	.	S	Bend	trans	-51.3	-32.9	-169.6	-79	-179.5	178.2	162.6	0	114.8	E359 E447	K131-E359 VanDerWaalsContact CE-CD 3.41Å; K131-E359 WeakPolarHBondContact CE-OE1 3.24Å; K131-E359 VanDerWaalsContact CE-OE2 3.31Å; K131-E359 WeakPolarHBondContact CE-OE2 3.36Å; K131-E359 IonicContact NZ-OE1 2.99Å; K131-E359 IonicContact NZ-OE2 3.93Å; K131-E447 WeakPolarHBondContact CE-OE1 3.41Å; K131-E447 IonicContact NZ-OE1 3.75Å; K131-E447 PolarHBondContact NZ-OE1 3.07Å; K131-E447 IonicContact NZ-OE2 3.96Å
132	K	54.6	Low	53	Low	96 Å²	96	65 Å²	65	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-136	-5.4	-174.2	-63	-164.1	-174.1	179.2	0	117	E130 Q134 Y280 D283	E130-K132 PolarHBondContact O-N 3.44Å; K132-Q134 PolarHBondContact O-N 2.86Å; K132-Y280 HydrophobicContact CB-CD1 4.35Å; K132-Y280 HydrophobicContact CB-CE1 4.11Å; K132-Y280 HydrophobicContact CB-CE2 4.49Å; K132-Y280 HydrophobicContact CD-CD1 4.48Å; K132-Y280 HydrophobicContact CD-CD2 3.56Å; K132-Y280 HydrophobicContact CD-CE2 3.66Å; K132-Y280 HydrophobicContact CD-CG 3.96Å; K132-Y280 HydrophobicContact CG-CE2 4.26Å; K132-D283 WeakPolarHBondContact CD-OD2 3.26Å; K132-D283 IonicContact NZ-OD2 2.56Å; K132-D283 PolarHBondContact NZ-OD2 3.47Å
133	H	48.3	Very low	52	Low	53 Å²	53	70 Å²	70	25%	0.245	33%	0.33	C	S	.	.			trans	-72.9	92.3	-174.9	-77.4	-130.4	0	0	0	111.1	S135 V136 Y280	H133-S135 PolarHBondContact O-N 3.1Å; H133-V136 PolarHBondContact O-N 2.88Å; H133-Y280 AromaticContact NE2-CE1 3.97Å
134	Q	42.5	Very low	50.8	Low	69 Å²	69	68.5 Å²	68.5	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-22	173.8	-65.1	-172.4	14.5	0	0	112.3	K132 V136 R137 W138	K132-Q134 PolarHBondContact O-N 2.86Å; Q134-V136 PolarHBondContact O-N 2.8Å; Q134-R137 CarbonylContact O-C 3.56Å; Q134-R137 WeakPolarHBondContact O-CA 2.92Å; Q134-R137 VanDerWaalsContact O-CB 3.27Å; Q134-R137 WeakPolarHBondContact O-CB 3.45Å; Q134-R137 PolarHBondContact O-N 2.89Å; Q134-R137 VanDerWaalsContact O-N 3.16Å; Q134-W138 PolarHBondContact O-N 3.07Å
135	S	45.3	Very low	49.5	Very low	36 Å²	36	67.6 Å²	67.6	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-45.2	177.7	55.6	0	0	0	0	112.1	H133 R137 W138 D139	H133-S135 PolarHBondContact O-N 3.1Å; S135-R137 VanDerWaalsContact C-N 3.31Å; S135-R137 PolarHBondContact O-N 2.83Å; S135-W138 CarbonylContact O-C 3.55Å; S135-W138 WeakPolarHBondContact O-CA 3.48Å; S135-W138 WeakPolarHBondContact O-CB 3.43Å; S135-W138 PolarHBondContact O-N 2.82Å; S135-D139 PolarHBondContact O-N 2.98Å
136	V	43	Very low	48	Very low	44 Å²	44	73.6 Å²	73.6	27%	0.267	35%	0.348	S	S	.	.	H	α-helix	trans	-62.6	-40.2	174.9	-178.2	0	0	0	0	110.8	H133 Q134 W138 D139 V140	H133-V136 PolarHBondContact O-N 2.88Å; Q134-V136 PolarHBondContact O-N 2.8Å; V136-W138 VanDerWaalsContact C-N 3.3Å; V136-W138 PolarHBondContact O-N 3.04Å; V136-D139 PolarHBondContact O-N 2.78Å; V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 VanDerWaalsContact O-CG2 3.24Å; V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 3.25Å
137	R	45.8	Very low	46.6	Very low	54 Å²	54	77.3 Å²	77.3	20%	0.204	37%	0.372	C	S	.	.	H	α-helix	trans	-58.1	-41.5	171.3	-87	178.9	170.1	167.8	-6.1	111.9	Y118 A119 W122 Q134 S135 R141	Y118-R137 HydrophobicContact CE1-CG 4.4Å; A119-R137 PolarHBondContact O-NH2 2.94Å; W122-R137 VanDerWaalsContact CD1-NE 3.31Å; Q134-R137 CarbonylContact O-C 3.56Å; Q134-R137 WeakPolarHBondContact O-CA 2.92Å; Q134-R137 VanDerWaalsContact O-CB 3.27Å; Q134-R137 WeakPolarHBondContact O-CB 3.45Å; Q134-R137 PolarHBondContact O-N 2.89Å; Q134-R137 VanDerWaalsContact O-N 3.16Å; S135-R137 VanDerWaalsContact C-N 3.31Å; S135-R137 PolarHBondContact O-N 2.83Å; R137-R141 WeakPolarHBondContact O-CB 3.33Å; R137-R141 PolarHBondContact O-N 3Å
138	W	42.3	Very low	45.3	Very low	87 Å²	87	83.3 Å²	83.3	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-70.1	-38.9	178.3	-69.4	120.9	0	0	0	112.4	Q134 S135 V136 R141 E142	Q134-W138 PolarHBondContact O-N 3.07Å; S135-W138 CarbonylContact O-C 3.55Å; S135-W138 WeakPolarHBondContact O-CA 3.48Å; S135-W138 WeakPolarHBondContact O-CB 3.43Å; S135-W138 PolarHBondContact O-N 2.82Å; V136-W138 VanDerWaalsContact C-N 3.3Å; V136-W138 PolarHBondContact O-N 3.04Å; W138-R141 VanDerWaalsContact CE3-NH1 3.3Å; W138-R141 VanDerWaalsContact CZ3-CD 3.41Å; W138-R141 WeakPolarHBondContact O-CB 3.46Å; W138-R141 PolarHBondContact O-N 2.88Å; W138-E142 WeakPolarHBondContact O-CB 3.41Å; W138-E142 PolarHBondContact O-N 2.81Å
139	D	44.1	Very low	43.7	Very low	97 Å²	97	92.6 Å²	92.6	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-68.2	-40.9	176.7	-72.7	-17.3	0	0	0	112	S135 V136 R141 E142 K143	S135-D139 PolarHBondContact O-N 2.98Å; V136-D139 PolarHBondContact O-N 2.78Å; D139-R141 VanDerWaalsContact C-N 3.34Å; D139-E142 PolarHBondContact O-N 2.89Å; D139-K143 WeakPolarHBondContact O-CB 3.36Å; D139-K143 WeakPolarHBondContact O-CG 3.32Å; D139-K143 PolarHBondContact O-N 3.5Å
140	V	43.6	Very low	42.2	Very low	43 Å²	43	100.3 Å²	100.3	26%	0.261	46%	0.46	S	S	.	.	H	α-helix	trans	-62.9	-42.3	171.9	173.1	0	0	0	0	110	V136 K143 M144	V136-V140 HydrophobicContact CG1-CG2 4.31Å; V136-V140 WeakPolarHBondContact O-CB 3.42Å; V136-V140 VanDerWaalsContact O-CG2 3.24Å; V136-V140 WeakPolarHBondContact O-CG2 3.41Å; V136-V140 PolarHBondContact O-N 3.25Å; V140-K143 PolarHBondContact O-N 2.95Å; V140-M144 HydrophobicContact CG1-CE 3.86Å; V140-M144 HydrophobicContact CG1-CG 4.36Å; V140-M144 HydrophobicContact CG1-SD 4.3Å; V140-M144 WeakPolarHBondContact O-CB 3.45Å; V140-M144 VanDerWaalsContact O-CG 3.31Å; V140-M144 WeakPolarHBondContact O-CG 3.43Å; V140-M144 PolarHBondContact O-N 3.03Å
141	R	42.7	Very low	40.9	Very low	125 Å²	125	108.2 Å²	108.2	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-60.7	-49.6	173.8	179.4	-158.6	177.6	-150.5	-2.4	111.8	R137 W138 D139 K143 M144 L145	R137-R141 WeakPolarHBondContact O-CB 3.33Å; R137-R141 PolarHBondContact O-N 3Å; W138-R141 VanDerWaalsContact CE3-NH1 3.3Å; W138-R141 VanDerWaalsContact CZ3-CD 3.41Å; W138-R141 WeakPolarHBondContact O-CB 3.46Å; W138-R141 PolarHBondContact O-N 2.88Å; D139-R141 VanDerWaalsContact C-N 3.34Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 2.82Å; R141-M144 PolarHBondContact O-N 2.84Å; R141-L145 HydrophobicContact CG-CD1 3.82Å; R141-L145 HydrophobicContact CG-CG 4.27Å; R141-L145 WeakPolarHBondContact O-CB 3.18Å; R141-L145 VanDerWaalsContact O-CG 3.31Å; R141-L145 WeakPolarHBondContact O-CG 3.32Å; R141-L145 PolarHBondContact O-N 3.42Å
142	E	43.5	Very low	39.8	Very low	117 Å²	117	112 Å²	112	55%	0.547	52%	0.517	S	S	.	.	H	α-helix	trans	-53.9	-47	176.7	-99.8	-93.6	150.6	0	0	110.5	W138 D139 L145 R146	W138-E142 WeakPolarHBondContact O-CB 3.41Å; W138-E142 PolarHBondContact O-N 2.81Å; D139-E142 PolarHBondContact O-N 2.89Å; E142-L145 PolarHBondContact O-N 3.45Å; E142-R146 PolarHBondContact O-N 3.42Å
143	K	41.5	Very low	38.7	Very low	138 Å²	138	118.6 Å²	118.6	60%	0.6	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-40.7	176.9	-77.6	176.8	178.6	172.2	0	112.9	D139 V140 R141 L145 R146	D139-K143 WeakPolarHBondContact O-CB 3.36Å; D139-K143 WeakPolarHBondContact O-CG 3.32Å; D139-K143 PolarHBondContact O-N 3.5Å; V140-K143 PolarHBondContact O-N 2.95Å; R141-K143 VanDerWaalsContact C-N 3.29Å; R141-K143 PolarHBondContact O-N 2.82Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 2.88Å; K143-R146 PolarHBondContact O-N 3.18Å
144	M	38.5	Very low	38.1	Very low	132 Å²	132	120 Å²	120	65%	0.65	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-30.3	177.3	-76.5	-168.8	178.4	0	0	113.2	Y118 V140 R141	Y118-M144 HydrophobicContact CE2-CE 4.45Å; V140-M144 HydrophobicContact CG1-CE 3.86Å; V140-M144 HydrophobicContact CG1-CG 4.36Å; V140-M144 HydrophobicContact CG1-SD 4.3Å; V140-M144 WeakPolarHBondContact O-CB 3.45Å; V140-M144 VanDerWaalsContact O-CG 3.31Å; V140-M144 WeakPolarHBondContact O-CG 3.43Å; V140-M144 PolarHBondContact O-N 3.03Å; R141-M144 PolarHBondContact O-N 2.84Å
145	L	37.3	Very low	38.1	Very low	96 Å²	96	122.9 Å²	122.9	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-80.1	-15.3	178.7	-72	176.9	0	0	0	113.2	R141 E142 K143 P147	R141-L145 HydrophobicContact CG-CD1 3.82Å; R141-L145 HydrophobicContact CG-CG 4.27Å; R141-L145 WeakPolarHBondContact O-CB 3.18Å; R141-L145 VanDerWaalsContact O-CG 3.31Å; R141-L145 WeakPolarHBondContact O-CG 3.32Å; R141-L145 PolarHBondContact O-N 3.42Å; E142-L145 PolarHBondContact O-N 3.45Å; K143-L145 VanDerWaalsContact C-N 3.33Å; K143-L145 PolarHBondContact O-N 2.88Å; L145-P147 WeakPolarHBondContact O-CD 3.48Å; L145-P147 VanDerWaalsContact O-N 3.14Å
146	R	33	Very low	38	Very low	176 Å²	176	124.6 Å²	124.6	66%	0.664	58%	0.58	S	S	*	*	S	Bend	trans	-66.1	111.8	173.9	-74.9	-175.3	-173.7	-163.1	2.8	109.5	E142 K143 H148	E142-R146 PolarHBondContact O-N 3.42Å; K143-R146 PolarHBondContact O-N 3.18Å; R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 2.89Å
147	P	35	Very low	38.3	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	59%	0.594	S	S	*	*	S	Bend	trans	-79.7	88.8	176.4	29.2	-21.6	0	0	0	106.3	L145	L145-P147 WeakPolarHBondContact O-CD 3.48Å; L145-P147 VanDerWaalsContact O-N 3.14Å
148	H	33.8	Very low	38.3	Very low	144 Å²	144	129.9 Å²	129.9	67%	0.667	62%	0.615	S	S	*	*			trans	172.8	75	157.7	-78.8	-24.9	0	0	0	111.1	R146 R150	R146-H148 VanDerWaalsContact C-N 3.33Å; R146-H148 PolarHBondContact O-N 2.89Å; H148-R150 PolarHBondContact O-N 3.18Å
149	F	29.5	Very low	38.3	Very low	196 Å²	196	133.9 Å²	133.9	86%	0.86	63%	0.63	S	S	*	*			trans	-87.5	71.3	142	-89.5	-84.9	0	0	0	107.5	F151	F149-F151 PolarHBondContact O-N 3.18Å
150	R	29.1	Very low	38.1	Very low	191 Å²	191	134.9 Å²	134.9	72%	0.721	63%	0.631	S	S	*	*			trans	-73.8	103	160.9	-86.9	-178.4	173.4	173.3	-0.4	105.4	H148 L152	H148-R150 PolarHBondContact O-N 3.18Å; R150-L152 PolarHBondContact O-N 3.32Å
151	F	34	Very low	38	Very low	193 Å²	193	141.1 Å²	141.1	85%	0.846	65%	0.651	S	S	*	*			trans	-48	108.5	162.4	-82.1	-89.1	0	0	0	107.7	F149 R153	F149-F151 PolarHBondContact O-N 3.18Å; F151-R153 PolarHBondContact O-N 2.87Å
152	L	29.2	Very low	37.8	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	65%	0.653	S	S	*	*			trans	-62.9	88.7	170.9	-85.2	156.2	0	0	0	107	R150 L154	R150-L152 PolarHBondContact O-N 3.32Å; L152-L154 PolarHBondContact O-N 3.19Å
153	R	31.6	Very low	37.6	Very low	235 Å²	235	135 Å²	135	89%	0.887	64%	0.642	S	S	*	*			trans	-68.3	87.7	162.7	-78.5	-172.5	-178.1	-177.8	0.9	106.8	F151	F151-R153 PolarHBondContact O-N 2.87Å
154	L	34.3	Very low	37.4	Very low	82 Å²	82	132 Å²	132	43%	0.429	64%	0.638	S	S	.	*			trans	-65.6	126.4	170	-72.2	169.6	0	0	0	108	L152 N156	L152-L154 PolarHBondContact O-N 3.19Å; L154-N156 PolarHBondContact O-N 3.48Å; L154-N156 VanDerWaalsContact O-N 3.09Å
155	P	43.3	Very low	37.2	Very low	130 Å²	130	131.3 Å²	131.3	84%	0.844	64%	0.636	S	S	*	*	S	Bend	trans	-74.8	0.9	-163.2	25.7	-33.5	0	0	0	115.4
156	N	42.2	Very low	37.2	Very low	72 Å²	72	134 Å²	134	39%	0.385	64%	0.644	S	S	.	*			trans	-131.6	121.9	-176.4	-169	-27.8	0	0	0	111.3	L154 L158 W159	L154-N156 PolarHBondContact O-N 3.48Å; L154-N156 VanDerWaalsContact O-N 3.09Å; N156-L158 PolarHBondContact O-N 2.83Å; N156-L158 VanDerWaalsContact O-N 3.16Å; N156-L158 PolarHBondContact OD1-N 3.14Å; N156-W159 WeakPolarHBondContact O-CB 3.48Å; N156-W159 PolarHBondContact O-N 2.85Å
157	P	50.9	Low	37.4	Very low	88 Å²	88	132.7 Å²	132.7	57%	0.571	64%	0.644	S	S	*	*	H	α-helix	trans	-60.8	-23.7	-177.3	20.9	-31.1	0	0	0	114.1	W159 Q160 Y161	P157-W159 PolarHBondContact O-N 3.08Å; P157-Q160 PolarHBondContact O-N 2.77Å; P157-Y161 PolarHBondContact O-N 3.39Å
158	L	46.1	Very low	37.5	Very low	122 Å²	122	133.1 Å²	133.1	64%	0.639	64%	0.64	S	S	*	*	H	α-helix	trans	-64.8	-28.1	172.8	-86.2	157.6	0	0	0	112.8	N156 C162	N156-L158 PolarHBondContact O-N 2.83Å; N156-L158 VanDerWaalsContact O-N 3.16Å; N156-L158 PolarHBondContact OD1-N 3.14Å; L158-C162 PolarHBondContact O-N 3.09Å; L158-C162 PolarHBondContact O-SG 3.21Å
159	W	41.6	Very low	37.8	Very low	171 Å²	171	129.8 Å²	129.8	65%	0.648	63%	0.632	S	S	*	*	H	α-helix	trans	-78.6	-25.3	178.2	-71.8	65.3	0	0	0	112.3	N156 P157 C162 A163	N156-W159 WeakPolarHBondContact O-CB 3.48Å; N156-W159 PolarHBondContact O-N 2.85Å; P157-W159 PolarHBondContact O-N 3.08Å; W159-C162 PolarHBondContact O-N 3.34Å; W159-A163 WeakPolarHBondContact O-CB 3.23Å; W159-A163 PolarHBondContact O-N 2.9Å
160	Q	40	Very low	38.2	Very low	117 Å²	117	124.5 Å²	124.5	55%	0.547	61%	0.612	S	S	.	*	H	α-helix	trans	-66	-41.4	170.8	-76.2	178.1	-25	0	0	111.4	P157 A163 C164	P157-Q160 PolarHBondContact O-N 2.77Å; Q160-A163 PolarHBondContact O-N 3.34Å; Q160-C164 PolarHBondContact O-N 3.34Å
161	Y	40.3	Very low	38.9	Very low	174 Å²	174	118.1 Å²	118.1	68%	0.682	60%	0.601	S	S	*	*	H	α-helix	trans	-65.2	-40.3	174.9	-88.9	-85.7	0	0	0	112.6	P157 C164 L165	P157-Y161 PolarHBondContact O-N 3.39Å; Y161-C164 PolarHBondContact O-N 3.05Å; Y161-L165 PolarHBondContact O-N 2.98Å
162	C	40	Very low	39.1	Very low	76 Å²	76	112 Å²	112	51%	0.514	59%	0.586	S	S	.	*	H	α-helix	trans	-66.2	-38.2	176.6	-64.1	0	0	0	0	112	L158 W159 L165 F166	L158-C162 PolarHBondContact O-N 3.09Å; L158-C162 PolarHBondContact O-SG 3.21Å; W159-C162 PolarHBondContact O-N 3.34Å; C162-L165 PolarHBondContact O-N 2.9Å; C162-F166 PolarHBondContact O-N 3.31Å
163	A	37.8	Very low	39.5	Very low	38 Å²	38	112.6 Å²	112.6	31%	0.314	58%	0.579	S	S	.	*	H	α-helix	trans	-64.7	-46.5	174.5	0	0	0	0	0	111.3	W159 Q160 L165 F166 F167	W159-A163 WeakPolarHBondContact O-CB 3.23Å; W159-A163 PolarHBondContact O-N 2.9Å; Q160-A163 PolarHBondContact O-N 3.34Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.91Å; A163-F166 PolarHBondContact O-N 3.45Å; A163-F167 WeakPolarHBondContact O-CD2 3.45Å; A163-F167 PolarHBondContact O-N 2.75Å
164	C	38.2	Very low	39.7	Very low	76 Å²	76	105.5 Å²	105.5	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-60.4	-38	176.3	-76.6	0	0	0	0	112.7	Q160 Y161 F167 L168	Q160-C164 PolarHBondContact O-N 3.34Å; Y161-C164 PolarHBondContact O-N 3.05Å; C164-F167 PolarHBondContact O-N 3.08Å; C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.49Å; C164-L168 PolarHBondContact O-N 3.43Å
165	L	35	Very low	39.8	Very low	117 Å²	117	104.9 Å²	104.9	61%	0.613	56%	0.56	S	S	*	*	H	α-helix	trans	-70.4	-35.3	176	-77.8	164	0	0	0	112.6	Y161 C162 A163 S169	Y161-L165 PolarHBondContact O-N 2.98Å; C162-L165 PolarHBondContact O-N 2.9Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.91Å; L165-S169 WeakPolarHBondContact O-CB 3.5Å; L165-S169 PolarHBondContact O-N 2.96Å
166	F	37.3	Very low	39.3	Very low	152 Å²	152	106.5 Å²	106.5	67%	0.667	55%	0.554	S	S	*	*	H	α-helix	trans	-68.1	-38.3	172.5	-125.9	-90.3	0	0	0	111.9	C162 A163 S169 L170	C162-F166 PolarHBondContact O-N 3.31Å; A163-F166 PolarHBondContact O-N 3.45Å; F166-S169 PolarHBondContact O-N 3.3Å; F166-L170 HydrophobicContact CD1-CD1 4.22Å; F166-L170 PolarHBondContact O-N 2.75Å
167	F	37.4	Very low	38.9	Very low	148 Å²	148	106.6 Å²	106.6	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-69.9	-37.6	175.6	-83.5	-70.8	0	0	0	112.9	A163 C164 L170 A171	A163-F167 WeakPolarHBondContact O-CD2 3.45Å; A163-F167 PolarHBondContact O-N 2.75Å; C164-F167 PolarHBondContact O-N 3.08Å; F167-L170 PolarHBondContact O-N 3.26Å; F167-A171 VanDerWaalsContact O-CB 3.27Å; F167-A171 WeakPolarHBondContact O-CB 3.17Å; F167-A171 PolarHBondContact O-N 3.23Å
168	L	36.8	Very low	38.2	Very low	119 Å²	119	106 Å²	106	62%	0.623	55%	0.545	S	S	*	.	H	α-helix	trans	-70.2	-35.5	174.6	-73.7	168	0	0	0	111.8	C164 A172	C164-L168 WeakPolarHBondContact O-CB 3.34Å; C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.49Å; C164-L168 PolarHBondContact O-N 3.43Å; L168-A172 WeakPolarHBondContact O-CB 3.28Å; L168-A172 PolarHBondContact O-N 2.79Å
169	S	40.1	Very low	37.8	Very low	74 Å²	74	104.6 Å²	104.6	52%	0.517	54%	0.542	S	S	.	.	H	α-helix	trans	-66	-41.2	173.3	-177.4	0	0	0	0	111.7	L165 F166 Y173	L165-S169 WeakPolarHBondContact O-CB 3.5Å; L165-S169 PolarHBondContact O-N 2.96Å; F166-S169 PolarHBondContact O-N 3.3Å; S169-Y173 WeakPolarHBondContact O-CB 3.46Å; S169-Y173 PolarHBondContact O-N 3.36Å
170	L	38.1	Very low	37.5	Very low	84 Å²	84	99.4 Å²	99.4	44%	0.44	54%	0.535	S	S	.	.	H	α-helix	trans	-71.2	-41.2	175.7	-80.6	162.9	0	0	0	111.9	F166 F167 A172 Y173 D174	F166-L170 HydrophobicContact CD1-CD1 4.22Å; F166-L170 PolarHBondContact O-N 2.75Å; F167-L170 PolarHBondContact O-N 3.26Å; L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.35Å; L170-Y173 PolarHBondContact O-N 3.03Å; L170-Y173 VanDerWaalsContact O-N 3.16Å; L170-D174 VanDerWaalsContact O-CB 3.25Å; L170-D174 WeakPolarHBondContact O-CB 3.48Å; L170-D174 VanDerWaalsContact O-CG 3.28Å; L170-D174 PolarHBondContact O-N 3.31Å
171	A	42.6	Very low	37.6	Very low	58 Å²	58	97.1 Å²	97.1	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-35.9	176.4	0	0	0	0	0	112.4	F167 C175	F167-A171 VanDerWaalsContact O-CB 3.27Å; F167-A171 WeakPolarHBondContact O-CB 3.17Å; F167-A171 PolarHBondContact O-N 3.23Å; A171-C175 WeakPolarHBondContact O-CB 3.18Å; A171-C175 PolarHBondContact O-N 3.44Å
172	A	38.1	Very low	37.9	Very low	65 Å²	65	91.9 Å²	91.9	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-72.6	-36.9	174.2	0	0	0	0	0	112.5	L168 L170 F176	L168-A172 WeakPolarHBondContact O-CB 3.28Å; L168-A172 PolarHBondContact O-N 2.79Å; L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.35Å; A172-F176 PolarHBondContact O-N 3.44Å; A172-F176 VanDerWaalsContact O-N 3.1Å
173	Y	37.5	Very low	38.4	Very low	167 Å²	167	93.7 Å²	93.7	66%	0.655	52%	0.519	S	S	*	.	H	α-helix	trans	-71.3	-42.5	176.7	-136.1	-90.7	0	0	0	111.9	S169 L170 F176 I177	S169-Y173 WeakPolarHBondContact O-CB 3.46Å; S169-Y173 PolarHBondContact O-N 3.36Å; L170-Y173 PolarHBondContact O-N 3.03Å; L170-Y173 VanDerWaalsContact O-N 3.16Å; Y173-F176 PolarHBondContact O-N 2.82Å; Y173-I177 HydrophobicContact CD1-CG1 4.21Å; Y173-I177 HydrophobicContact CE1-CG1 4.48Å; Y173-I177 WeakPolarHBondContact O-CB 3.38Å; Y173-I177 WeakPolarHBondContact O-CG1 3.25Å; Y173-I177 PolarHBondContact O-N 2.96Å
174	D	36.1	Very low	38.8	Very low	86 Å²	86	95.4 Å²	95.4	46%	0.46	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-39.4	174.6	-72.9	-20.3	0	0	0	110.4	L170 F176 I177 L178	L170-D174 VanDerWaalsContact O-CB 3.25Å; L170-D174 WeakPolarHBondContact O-CB 3.48Å; L170-D174 VanDerWaalsContact O-CG 3.28Å; L170-D174 PolarHBondContact O-N 3.31Å; D174-F176 PolarHBondContact O-N 2.94Å; D174-I177 PolarHBondContact O-N 3.09Å; D174-L178 HydrophobicContact CB-CD1 4.28Å; D174-L178 WeakPolarHBondContact O-CA 3.17Å; D174-L178 WeakPolarHBondContact O-CB 3.28Å; D174-L178 VanDerWaalsContact O-CD1 3.31Å; D174-L178 WeakPolarHBondContact O-CD1 3.41Å; D174-L178 WeakPolarHBondContact O-CG 3.2Å; D174-L178 PolarHBondContact O-N 3.41Å
175	C	37.6	Very low	39.8	Very low	68 Å²	68	97.2 Å²	97.2	46%	0.459	54%	0.536	S	S	.	.	H	α-helix	trans	-66.6	-37.1	176.4	-165.6	0	0	0	0	112.2	A171 T179	A171-C175 WeakPolarHBondContact O-CB 3.18Å; A171-C175 PolarHBondContact O-N 3.44Å; C175-T179 WeakPolarHBondContact O-CB 3.39Å; C175-T179 PolarHBondContact O-N 3.22Å; C175-T179 VanDerWaalsContact O-N 3.07Å; C175-T179 PolarHBondContact O-OG1 2.91Å
176	F	31.5	Very low	42	Very low	164 Å²	164	92.8 Å²	92.8	72%	0.719	51%	0.514	S	S	*	.	H	α-helix	trans	-71.2	-39.1	176	-160.8	-95.3	0	0	0	112.2	A172 Y173 D174 A180	A172-F176 PolarHBondContact O-N 3.44Å; A172-F176 VanDerWaalsContact O-N 3.1Å; Y173-F176 PolarHBondContact O-N 2.82Å; D174-F176 PolarHBondContact O-N 2.94Å; F176-A180 WeakPolarHBondContact O-CB 3.47Å; F176-A180 PolarHBondContact O-N 2.88Å; F176-A180 VanDerWaalsContact O-N 3.15Å
177	I	33.6	Very low	44.5	Very low	74 Å²	74	89.6 Å²	89.6	38%	0.379	50%	0.502	S	S	.	.	H	α-helix	trans	-71.1	-43.3	175.2	-70.3	-73.7	0	0	0	111.2	Y173 D174 T179 A180 M181	Y173-I177 HydrophobicContact CD1-CG1 4.21Å; Y173-I177 HydrophobicContact CE1-CG1 4.48Å; Y173-I177 WeakPolarHBondContact O-CB 3.38Å; Y173-I177 WeakPolarHBondContact O-CG1 3.25Å; Y173-I177 PolarHBondContact O-N 2.96Å; D174-I177 PolarHBondContact O-N 3.09Å; I177-T179 PolarHBondContact O-N 3.28Å; I177-A180 PolarHBondContact O-N 2.83Å; I177-M181 HydrophobicContact CD1-SD 4.16Å; I177-M181 HydrophobicContact CG2-CG 4.21Å; I177-M181 HydrophobicContact CG2-SD 3.7Å; I177-M181 WeakPolarHBondContact O-CB 3.28Å; I177-M181 WeakPolarHBondContact O-CG 3.25Å; I177-M181 PolarHBondContact O-N 3.17Å
178	L	35.8	Very low	47.3	Very low	75 Å²	75	82.6 Å²	82.6	39%	0.393	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-43.2	180	-81	158.7	0	0	0	111.9	D174 S182 S417	D174-L178 HydrophobicContact CB-CD1 4.28Å; D174-L178 WeakPolarHBondContact O-CA 3.17Å; D174-L178 WeakPolarHBondContact O-CB 3.28Å; D174-L178 VanDerWaalsContact O-CD1 3.31Å; D174-L178 WeakPolarHBondContact O-CD1 3.41Å; D174-L178 WeakPolarHBondContact O-CG 3.2Å; D174-L178 PolarHBondContact O-N 3.41Å; L178-S182 WeakPolarHBondContact O-CB 3.24Å; L178-S182 PolarHBondContact O-N 3.33Å; L178-S182 PolarHBondContact O-OG 2.9Å; L178-S417 WeakPolarHBondContact CD2-OG 3.44Å
179	T	37.8	Very low	50.1	Low	94 Å²	94	77.2 Å²	77.2	58%	0.577	44%	0.443	S	S	*	.	H	α-helix	trans	-74.5	-28.5	178.8	-39.7	0	0	0	0	111.9	C175 I177	C175-T179 WeakPolarHBondContact O-CB 3.39Å; C175-T179 PolarHBondContact O-N 3.22Å; C175-T179 VanDerWaalsContact O-N 3.07Å; C175-T179 PolarHBondContact O-OG1 2.91Å; I177-T179 PolarHBondContact O-N 3.28Å
180	A	37.1	Very low	52.8	Low	61 Å²	61	74 Å²	74	50%	0.504	42%	0.42	S	S	.	.	H	α-helix	trans	-89.8	-16.4	-179.7	0	0	0	0	0	114	F176 I177	F176-A180 WeakPolarHBondContact O-CB 3.47Å; F176-A180 PolarHBondContact O-N 2.88Å; F176-A180 VanDerWaalsContact O-N 3.15Å; I177-A180 PolarHBondContact O-N 2.83Å
181	M	40.4	Very low	55.5	Low	70 Å²	70	70 Å²	70	35%	0.345	40%	0.399	S	S	.	.	H	α-helix	trans	-116.7	-15.3	-174	-63.5	-168.6	62.9	0	0	115.3	I177 D183 V184 F478	I177-M181 HydrophobicContact CD1-SD 4.16Å; I177-M181 HydrophobicContact CG2-CG 4.21Å; I177-M181 HydrophobicContact CG2-SD 3.7Å; I177-M181 WeakPolarHBondContact O-CB 3.28Å; I177-M181 WeakPolarHBondContact O-CG 3.25Å; I177-M181 PolarHBondContact O-N 3.17Å; M181-D183 PolarHBondContact O-N 3.4Å; M181-D183 VanDerWaalsContact O-N 3.11Å; M181-V184 HydrophobicContact CB-CG2 4.19Å; M181-V184 HydrophobicContact CE-CG2 4.23Å; M181-V184 WeakPolarHBondContact O-CG2 3.44Å; M181-V184 PolarHBondContact O-N 3.26Å; M181-V184 VanDerWaalsContact O-N 3.08Å; M181-F478 HydrophobicContact CE-CE1 4.23Å; M181-F478 HydrophobicContact CE-CZ 3.92Å
182	S	47.1	Very low	58	Low	63 Å²	63	73.6 Å²	73.6	44%	0.441	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.7	163.3	63.5	0	0	0	0	111.8	L178	L178-S182 WeakPolarHBondContact O-CB 3.24Å; L178-S182 PolarHBondContact O-N 3.33Å; L178-S182 PolarHBondContact O-OG 2.9Å
183	D	49.7	Very low	60.4	Low	115 Å²	115	72.4 Å²	72.4	62%	0.615	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	14.5	-179.9	-60.3	-9.2	0	0	0	113	M181 P185	M181-D183 PolarHBondContact O-N 3.4Å; M181-D183 VanDerWaalsContact O-N 3.11Å; D183-P185 WeakPolarHBondContact O-CD 3.19Å
184	V	47.4	Very low	62.8	Low	73 Å²	73	66.8 Å²	66.8	44%	0.442	38%	0.378	S	S	.	.			trans	-58.6	110	169.8	175.3	0	0	0	0	106.4	M181 C186	M181-V184 HydrophobicContact CB-CG2 4.19Å; M181-V184 HydrophobicContact CE-CG2 4.23Å; M181-V184 WeakPolarHBondContact O-CG2 3.44Å; M181-V184 PolarHBondContact O-N 3.26Å; M181-V184 VanDerWaalsContact O-N 3.08Å; V184-C186 PolarHBondContact O-N 2.74Å
185	P	58	Low	65.6	Low	114 Å²	114	62.7 Å²	62.7	74%	0.74	36%	0.356	S	S	*	.			trans	-68.5	103.2	-172.1	-10.5	24.9	0	0	0	106.8	D183	D183-P185 WeakPolarHBondContact O-CD 3.19Å
186	C	81.7	Confident	68.2	Low	24 Å²	24	64.4 Å²	64.4	16%	0.162	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-101.3	127.3	176.5	-165.3	0	0	0	0	108.3	V184 F392 P394 W397 L481	V184-C186 PolarHBondContact O-N 2.74Å; C186-F392 WeakPolarHBondContact SG-CE1 3.27Å; C186-P394 HydrophobicContact CB-CB 4.05Å; C186-P394 HydrophobicContact CB-CG 4.29Å; C186-P394 VanDerWaalsContact O-CG 3.24Å; C186-P394 WeakPolarHBondContact O-CG 3.37Å; C186-W397 PolarHBondContact O-NE1 3.02Å; C186-W397 VanDerWaalsContact O-NE1 3.1Å; C186-L481 WeakPolarHBondContact SG-CD2 3.45Å
187	E	90.8	Very high	71.1	Confident	86 Å²	86	61.4 Å²	61.4	40%	0.402	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-93.4	148.1	176.4	-70.7	-88.4	178.1	0	0	109.7	R381 W397	E187-R381 IonicContact OE1-NH2 3.4Å; E187-R381 PolarHBondContact OE1-NH2 3.43Å; E187-R381 VanDerWaalsContact OE1-NH2 3.12Å; E187-R381 IonicContact OE2-CZ 2.75Å; E187-R381 IonicContact OE2-NE 2.88Å; E187-R381 PolarHBondContact OE2-NE 2.89Å; E187-R381 IonicContact OE2-NH2 3.52Å; E187-R381 PolarHBondContact OE2-NH2 2.93Å; E187-W397 VanDerWaalsContact OE2-CH2 3.3Å; E187-W397 WeakPolarHBondContact OE2-CH2 3.47Å
188	P	95.9	Very high	74	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.7	143.2	172.9	28.5	-34.8	0	0	0	110.6	L341 R381 F392 W397 V491	P188-L341 HydrophobicContact CB-CD2 4.1Å; P188-L341 HydrophobicContact CG-CD2 4.38Å; P188-R381 HydrophobicContact CG-CB 4.49Å; P188-R381 HydrophobicContact CG-CG 4.34Å; P188-F392 WeakPolarHBondContact CA-O 3.04Å; P188-F392 WeakPolarHBondContact CB-O 3.27Å; P188-W397 HydrophobicContact CG-CD2 4.33Å; P188-W397 HydrophobicContact CG-CE3 3.87Å; P188-W397 HydrophobicContact CG-CH2 3.91Å; P188-W397 HydrophobicContact CG-CZ2 4.38Å; P188-W397 HydrophobicContact CG-CZ3 3.65Å; P188-V491 HydrophobicContact CB-CB 4.45Å; P188-V491 HydrophobicContact CB-CG2 3.99Å; P188-V491 HydrophobicContact CG-CB 4.15Å; P188-V491 HydrophobicContact CG-CG2 4.24Å; P188-V491 PolarHBondContact O-N 2.93Å
189	F	95.4	Very high	76.8	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157.9	176.3	61.2	-96.2	0	0	0	111.4	L191 F392 F480 L481 F484 N489	F189-L191 HydrophobicContact CD2-CD2 4.14Å; F189-L191 HydrophobicContact CD2-CG 4.14Å; F189-L191 HydrophobicContact CE2-CD1 4.24Å; F189-L191 HydrophobicContact CE2-CD2 3.95Å; F189-L191 HydrophobicContact CE2-CG 3.93Å; F189-F392 HydrophobicContact CD1-CB 4.3Å; F189-F392 AromaticContact CD1-CD1 3.85Å; F189-F392 HydrophobicContact CD1-CD1 3.85Å; F189-F392 HydrophobicContact CD1-CG 4.38Å; F189-F392 HydrophobicContact CD2-CB 4.25Å; F189-F392 HydrophobicContact CE1-CB 4.02Å; F189-F392 AromaticContact CE1-CD1 3.47Å; F189-F392 HydrophobicContact CE1-CD1 3.47Å; F189-F392 VanDerWaalsContact CE1-CD1 3.47Å; F189-F392 HydrophobicContact CE1-CE1 4.1Å; F189-F392 AromaticContact CE1-CG 3.82Å; F189-F392 HydrophobicContact CE1-CG 3.82Å; F189-F392 HydrophobicContact CE2-CB 3.97Å; F189-F392 HydrophobicContact CG-CB 4.43Å; F189-F392 HydrophobicContact CZ-CB 3.87Å; F189-F392 HydrophobicContact CZ-CD1 4.07Å; F189-F392 AromaticContact CZ-CG 3.93Å; F189-F392 HydrophobicContact CZ-CG 3.93Å; F189-F392 PolarHBondContact O-N 3.42Å; F189-F480 AromaticContact CE2-CE1 3.99Å; F189-F480 HydrophobicContact CE2-CE1 3.99Å; F189-F480 HydrophobicContact CZ-CD1 4.12Å; F189-F480 AromaticContact CZ-CE1 3.55Å; F189-F480 HydrophobicContact CZ-CE1 3.55Å; F189-L481 HydrophobicContact CE1-CD2 3.87Å; F189-L481 HydrophobicContact CZ-CD2 4.35Å; F189-F484 HydrophobicContact CE2-CB 4.11Å; F189-F484 HydrophobicContact CZ-CB 4.27Å; F189-N489 CarbonylContact C-O 3.4Å; F189-N489 VanDerWaalsContact CA-O 3.29Å; F189-N489 WeakPolarHBondContact CA-O 3.35Å; F189-N489 WeakPolarHBondContact CB-O 3.26Å
190	V	96.7	Very high	79.6	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	178.3	175.5	0	0	0	0	111.1	K192 V383 L385 D389 I390 L391 G488 N489 V491	V190-K192 HydrophobicContact CG1-CG 4.17Å; V190-V383 HydrophobicContact CG2-CB 4.44Å; V190-V383 HydrophobicContact CG2-CG1 4.18Å; V190-V383 HydrophobicContact CG2-CG2 3.84Å; V190-L385 HydrophobicContact CG1-CD2 4.24Å; V190-L385 HydrophobicContact CG2-CD2 3.71Å; V190-D389 HydrophobicContact CG1-CB 3.97Å; V190-I390 CarbonylContact C-O 3.59Å; V190-I390 VanDerWaalsContact CA-O 3.25Å; V190-I390 WeakPolarHBondContact CA-O 3.26Å; V190-L391 HydrophobicContact CG2-CB 4.44Å; V190-L391 HydrophobicContact CG2-CD1 3.67Å; V190-G488 WeakPolarHBondContact O-CA 3.33Å; V190-N489 PolarHBondContact N-O 3.3Å; V190-N489 PolarHBondContact O-N 2.89Å; V190-V491 HydrophobicContact CG2-CG2 4.14Å
191	L	94.9	Very high	82.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.4	169.6	-56.7	170.1	0	0	0	108.8	F189 M194 F298 I390 F480 F484 R487	F189-L191 HydrophobicContact CD2-CD2 4.14Å; F189-L191 HydrophobicContact CD2-CG 4.14Å; F189-L191 HydrophobicContact CE2-CD1 4.24Å; F189-L191 HydrophobicContact CE2-CD2 3.95Å; F189-L191 HydrophobicContact CE2-CG 3.93Å; L191-M194 HydrophobicContact CB-CB 4.46Å; L191-M194 HydrophobicContact CB-CE 4.18Å; L191-M194 HydrophobicContact CB-CG 3.53Å; L191-M194 HydrophobicContact CD1-CG 4.46Å; L191-M194 HydrophobicContact CD2-CE 4.02Å; L191-M194 HydrophobicContact CG-CE 4.49Å; L191-F298 HydrophobicContact CD1-CD1 4.19Å; L191-F298 HydrophobicContact CD1-CE1 3.95Å; L191-I390 HydrophobicContact CB-CB 4.39Å; L191-I390 PolarHBondContact N-O 3.46Å; L191-I390 PolarHBondContact O-N 2.98Å; L191-F480 HydrophobicContact CD1-CZ 4.24Å; L191-F484 HydrophobicContact CD1-CB 4.02Å; L191-F484 HydrophobicContact CD1-CD1 4.04Å; L191-F484 HydrophobicContact CD1-CG 4.06Å; L191-F484 HydrophobicContact CD2-CB 4.01Å; L191-F484 HydrophobicContact CD2-CD1 4.32Å; L191-R487 HydrophobicContact CD2-CB 4.23Å
192	K	94.1	Very high	84.9	Confident	134 Å²	134	58 Å²	58	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	136.1	-175.1	-65.7	-161.6	170.4	-162.8	0	112.7	V190 M194 D389	V190-K192 HydrophobicContact CG1-CG 4.17Å; K192-M194 PolarHBondContact O-N 3.08Å; K192-D389 WeakPolarHBondContact CA-OD1 3.31Å
193	G	88.9	Confident	87.1	Confident	39 Å²	39	55.4 Å²	55.4	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	21	171.8	0	0	0	0	0	115.4	I195 G388	G193-I195 VanDerWaalsContact C-N 3.3Å; G193-I195 PolarHBondContact O-N 3.09Å; G193-G388 CarbonylContact C-O 3.42Å; G193-G388 WeakPolarHBondContact CA-O 3.28Å; G193-G388 PolarHBondContact N-O 3.33Å
194	M	88.2	Confident	89.1	Confident	49 Å²	49	52.7 Å²	52.7	24%	0.241	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.1	-173.3	-76.8	-62.5	-160.8	0	0	114	L191 K192 F298 G388 I390 F484	L191-M194 HydrophobicContact CB-CB 4.46Å; L191-M194 HydrophobicContact CB-CE 4.18Å; L191-M194 HydrophobicContact CB-CG 3.53Å; L191-M194 HydrophobicContact CD1-CG 4.46Å; L191-M194 HydrophobicContact CD2-CE 4.02Å; L191-M194 HydrophobicContact CG-CE 4.49Å; K192-M194 PolarHBondContact O-N 3.08Å; M194-F298 HydrophobicContact CB-CE1 4.06Å; M194-F298 HydrophobicContact CB-CZ 3.87Å; M194-F298 HydrophobicContact CG-CE1 4.24Å; M194-G388 PolarHBondContact N-O 2.96Å; M194-G388 VanDerWaalsContact N-O 3.1Å; M194-I390 HydrophobicContact CB-CD1 4.31Å; M194-F484 HydrophobicContact CE-CD1 4.32Å; M194-F484 HydrophobicContact CE-CE1 4.44Å
195	I	94.1	Very high	91	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	13.1	-172.8	57.9	168.8	0	0	0	112.9	G193 N197 W198 R201 F298 A331 L333 G388 I390	G193-I195 VanDerWaalsContact C-N 3.3Å; G193-I195 PolarHBondContact O-N 3.09Å; I195-N197 PolarHBondContact O-N 2.95Å; I195-W198 HydrophobicContact CB-CB 4.4Å; I195-W198 HydrophobicContact CB-CD2 3.63Å; I195-W198 HydrophobicContact CB-CE3 3.94Å; I195-W198 HydrophobicContact CB-CG 3.83Å; I195-W198 HydrophobicContact CB-CZ3 4.49Å; I195-W198 HydrophobicContact CD1-CE3 4.36Å; I195-W198 HydrophobicContact CG2-CD2 3.63Å; I195-W198 VanDerWaalsContact CG2-CE2 3.46Å; I195-W198 HydrophobicContact CG2-CE3 3.89Å; I195-W198 HydrophobicContact CG2-CG 4.24Å; I195-W198 HydrophobicContact CG2-CH2 3.88Å; I195-W198 HydrophobicContact CG2-CZ2 3.61Å; I195-W198 HydrophobicContact CG2-CZ3 4Å; I195-W198 VanDerWaalsContact O-CB 3.27Å; I195-W198 WeakPolarHBondContact O-CB 3.5Å; I195-W198 PolarHBondContact O-N 2.98Å; I195-R201 HydrophobicContact CG1-CG 4.4Å; I195-R201 WeakPolarHBondContact O-CG 3.25Å; I195-F298 HydrophobicContact CG2-CE2 4.42Å; I195-F298 HydrophobicContact CG2-CZ 4.34Å; I195-A331 HydrophobicContact CD1-CB 3.86Å; I195-L333 HydrophobicContact CD1-CD2 3.86Å; I195-G388 WeakPolarHBondContact CG1-O 3.48Å; I195-I390 HydrophobicContact CG2-CD1 3.31Å; I195-I390 HydrophobicContact CG2-CG1 3.92Å
196	E	93.1	Very high	92.3	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.6	-178.5	-72.8	-59.4	127.4	0	0	113.8	R201 G388	E196-R201 IonicContact OE1-CZ 3.61Å; E196-R201 IonicContact OE1-NE 2.9Å; E196-R201 PolarHBondContact OE1-NE 2.87Å; E196-R201 IonicContact OE1-NH2 3.33Å; E196-R201 PolarHBondContact OE1-NH2 3.3Å; E196-R201 IonicContact OE2-NH2 3.37Å; E196-G388 WeakPolarHBondContact OE1-CA 3.03Å
197	N	92.2	Very high	92.6	Very high	101 Å²	101	49.5 Å²	49.5	54%	0.54	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.4	175	64.3	-32.3	0	0	0	114.2	I195	I195-N197 PolarHBondContact O-N 2.95Å
198	W	95.4	Very high	92.4	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.038	24%	0.236	C	C	.	.			trans	-66.9	139.6	178.6	-72.2	10.3	0	0	0	110.9	I195 A200 R201 V293 D294 W295 F298 A331 L333 V410	I195-W198 HydrophobicContact CB-CB 4.4Å; I195-W198 HydrophobicContact CB-CD2 3.63Å; I195-W198 HydrophobicContact CB-CE3 3.94Å; I195-W198 HydrophobicContact CB-CG 3.83Å; I195-W198 HydrophobicContact CB-CZ3 4.49Å; I195-W198 HydrophobicContact CD1-CE3 4.36Å; I195-W198 HydrophobicContact CG2-CD2 3.63Å; I195-W198 VanDerWaalsContact CG2-CE2 3.46Å; I195-W198 HydrophobicContact CG2-CE3 3.89Å; I195-W198 HydrophobicContact CG2-CG 4.24Å; I195-W198 HydrophobicContact CG2-CH2 3.88Å; I195-W198 HydrophobicContact CG2-CZ2 3.61Å; I195-W198 HydrophobicContact CG2-CZ3 4Å; I195-W198 VanDerWaalsContact O-CB 3.27Å; I195-W198 WeakPolarHBondContact O-CB 3.5Å; I195-W198 PolarHBondContact O-N 2.98Å; W198-A200 PolarHBondContact O-N 3.05Å; W198-R201 HydrophobicContact CB-CG 4.3Å; W198-R201 WeakPolarHBondContact O-CB 3.39Å; W198-R201 PolarHBondContact O-N 2.95Å; W198-V293 HydrophobicContact CE3-CG1 4.33Å; W198-V293 HydrophobicContact CH2-CG1 3.9Å; W198-V293 HydrophobicContact CZ3-CB 4.34Å; W198-V293 HydrophobicContact CZ3-CG1 3.69Å; W198-V293 HydrophobicContact CZ3-CG2 4.47Å; W198-D294 VanDerWaalsContact CZ2-C 3.43Å; W198-D294 WeakPolarHBondContact CZ2-O 3.17Å; W198-D294 PolarHBondContact NE1-O 3.11Å; W198-W295 AromaticContact CH2-CD2 3.76Å; W198-W295 HydrophobicContact CH2-CD2 3.76Å; W198-W295 AromaticContact CH2-CE2 3.88Å; W198-W295 AromaticContact CH2-CE3 3.69Å; W198-W295 HydrophobicContact CH2-CE3 3.69Å; W198-W295 HydrophobicContact CH2-CG 4.49Å; W198-W295 AromaticContact CH2-CH2 3.91Å; W198-W295 HydrophobicContact CH2-CH2 3.91Å; W198-W295 AromaticContact CH2-CZ2 3.98Å; W198-W295 HydrophobicContact CH2-CZ2 3.98Å; W198-W295 AromaticContact CH2-CZ3 3.76Å; W198-W295 HydrophobicContact CH2-CZ3 3.76Å; W198-W295 HydrophobicContact CZ2-CD2 4.26Å; W198-W295 HydrophobicContact CZ2-CE3 4.11Å; W198-W295 HydrophobicContact CZ2-CZ3 4.48Å; W198-W295 HydrophobicContact CZ3-CZ2 4.46Å; W198-F298 HydrophobicContact CZ2-CE2 4Å; W198-A331 HydrophobicContact CH2-CB 4.08Å; W198-A331 HydrophobicContact CZ3-CB 3.72Å; W198-L333 HydrophobicContact CE3-CD2 4.27Å; W198-V410 HydrophobicContact CZ3-CG2 4.08Å
199	Q	94.2	Very high	91.8	Very high	92 Å²	92	46.4 Å²	46.4	43%	0.43	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.5	-30.6	174.3	-62.5	-52.9	-47.9	0	0	111.2	R201 K202 D292	Q199-R201 PolarHBondContact O-N 3.22Å; Q199-R201 VanDerWaalsContact O-N 3.08Å; Q199-K202 WeakPolarHBondContact O-CB 3.48Å; Q199-K202 PolarHBondContact O-N 3.26Å; Q199-D292 HydrophobicContact CB-CB 3.86Å; Q199-D292 VanDerWaalsContact CB-OD1 3.25Å; Q199-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q199-D292 PolarHBondContact N-O 2.78Å
200	A	95.5	Very high	91.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.4	-18.4	177.1	0	0	0	0	0	113.9	W198 K202 W203 D292 V293 L333	W198-A200 PolarHBondContact O-N 3.05Å; A200-K202 PolarHBondContact O-N 3.26Å; A200-W203 HydrophobicContact CB-CD2 3.8Å; A200-W203 HydrophobicContact CB-CE3 3.91Å; A200-W203 HydrophobicContact CB-CG 4.47Å; A200-W203 HydrophobicContact CB-CH2 3.94Å; A200-W203 HydrophobicContact CB-CZ2 3.86Å; A200-W203 HydrophobicContact CB-CZ3 3.97Å; A200-W203 WeakPolarHBondContact O-CB 3.29Å; A200-W203 PolarHBondContact O-N 2.68Å; A200-D292 HydrophobicContact CB-CB 4.06Å; A200-D292 VanDerWaalsContact CB-O 3.27Å; A200-D292 WeakPolarHBondContact CB-O 3.14Å; A200-D292 PolarHBondContact N-O 3.36Å; A200-V293 HydrophobicContact CB-CG2 3.82Å; A200-L333 HydrophobicContact CB-CD1 3.97Å; A200-L333 HydrophobicContact CB-CD2 4.14Å
201	R	95.6	Very high	90.8	Very high	53 Å²	53	49.9 Å²	49.9	20%	0.2	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-64.3	-19.5	173.7	-74.2	-65.5	-71.8	95.5	9.7	114.3	I195 E196 W198 Q199 W203 L333	I195-R201 HydrophobicContact CG1-CG 4.4Å; I195-R201 WeakPolarHBondContact O-CG 3.25Å; E196-R201 IonicContact OE1-CZ 3.61Å; E196-R201 IonicContact OE1-NE 2.9Å; E196-R201 PolarHBondContact OE1-NE 2.87Å; E196-R201 IonicContact OE1-NH2 3.33Å; E196-R201 PolarHBondContact OE1-NH2 3.3Å; E196-R201 IonicContact OE2-NH2 3.37Å; W198-R201 HydrophobicContact CB-CG 4.3Å; W198-R201 WeakPolarHBondContact O-CB 3.39Å; W198-R201 PolarHBondContact O-N 2.95Å; Q199-R201 PolarHBondContact O-N 3.22Å; Q199-R201 VanDerWaalsContact O-N 3.08Å; R201-W203 PolarHBondContact O-N 2.65Å; R201-L333 PolarHBondContact NH1-O 3.09Å
202	K	93.4	Very high	90.4	Very high	147 Å²	147	50.6 Å²	50.6	64%	0.639	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-77.5	-8.6	174.8	-61.9	171.7	-176.8	167.8	0	112.1	Q199 A200	Q199-K202 WeakPolarHBondContact O-CB 3.48Å; Q199-K202 PolarHBondContact O-N 3.26Å; A200-K202 PolarHBondContact O-N 3.26Å
203	W	94.2	Very high	89.2	Confident	8 Å²	8	50.8 Å²	50.8	3%	0.03	28%	0.283	C	S	.	.			trans	-73	133.7	-176	-60.2	-5.7	0	0	0	111.6	A200 R201 S207 L211 M281 F285 H289 D292 V293 L333 V410	A200-W203 HydrophobicContact CB-CD2 3.8Å; A200-W203 HydrophobicContact CB-CE3 3.91Å; A200-W203 HydrophobicContact CB-CG 4.47Å; A200-W203 HydrophobicContact CB-CH2 3.94Å; A200-W203 HydrophobicContact CB-CZ2 3.86Å; A200-W203 HydrophobicContact CB-CZ3 3.97Å; A200-W203 WeakPolarHBondContact O-CB 3.29Å; A200-W203 PolarHBondContact O-N 2.68Å; R201-W203 PolarHBondContact O-N 2.65Å; W203-S207 WeakPolarHBondContact CA-OG 3.32Å; W203-L211 HydrophobicContact CB-CD1 4.43Å; W203-L211 HydrophobicContact CD2-CD1 3.63Å; W203-L211 HydrophobicContact CE3-CD1 4.35Å; W203-L211 HydrophobicContact CG-CD1 3.65Å; W203-L211 HydrophobicContact CZ2-CD1 4.19Å; W203-M281 HydrophobicContact CH2-CE 3.63Å; W203-M281 HydrophobicContact CZ3-CE 4.12Å; W203-F285 HydrophobicContact CE3-CE1 4.44Å; W203-F285 HydrophobicContact CH2-CD1 4.19Å; W203-F285 AromaticContact CH2-CE1 3.68Å; W203-F285 HydrophobicContact CH2-CE1 3.68Å; W203-F285 HydrophobicContact CH2-CZ 4.38Å; W203-F285 HydrophobicContact CZ2-CE1 4.16Å; W203-F285 AromaticContact CZ3-CE1 3.83Å; W203-F285 HydrophobicContact CZ3-CE1 3.83Å; W203-F285 HydrophobicContact CZ3-CZ 4.15Å; W203-H289 HydrophobicContact CZ2-CB 4.43Å; W203-D292 HydrophobicContact CH2-CB 4.32Å; W203-D292 HydrophobicContact CZ2-CB 3.54Å; W203-D292 WeakPolarHBondContact CZ2-OD2 3.35Å; W203-D292 PolarHBondContact NE1-OD2 3.39Å; W203-V293 HydrophobicContact CH2-CG2 4.07Å; W203-V293 HydrophobicContact CZ3-CG2 4.34Å; W203-L333 HydrophobicContact CD2-CD1 4.44Å; W203-L333 HydrophobicContact CE3-CD1 3.54Å; W203-L333 HydrophobicContact CZ3-CD1 3.9Å; W203-V410 HydrophobicContact CZ3-CG1 4.31Å
204	T	91.4	Very high	88.8	Confident	58 Å²	58	54 Å²	54	36%	0.356	29%	0.291	S	S	.	.			trans	-140.3	165.6	176.5	61.7	0	0	0	0	108.4	C206 S207 V208	T204-C206 PolarHBondContact O-N 2.79Å; T204-C206 PolarHBondContact OG1-N 2.95Å; T204-S207 PolarHBondContact N-OG 3.3Å; T204-S207 PolarHBondContact O-N 3.09Å; T204-S207 PolarHBondContact O-OG 3.36Å; T204-S207 VanDerWaalsContact O-OG 3.09Å; T204-S207 PolarHBondContact OG1-N 3.37Å; T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 2.73Å
205	F	87.1	Confident	88.7	Confident	25 Å²	25	54.9 Å²	54.9	11%	0.11	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.3	172.4	-81.7	-119.2	0	0	0	112.3	F248 M311 T313 D406 I408	F205-F248 HydrophobicContact CD1-CE1 4.12Å; F205-F248 AromaticContact CE1-CE1 3.69Å; F205-F248 HydrophobicContact CE1-CE1 3.69Å; F205-F248 HydrophobicContact CE1-CZ 4.32Å; F205-M311 HydrophobicContact CD1-CG 4.43Å; F205-M311 HydrophobicContact CD1-SD 4.24Å; F205-M311 HydrophobicContact CE1-CG 3.78Å; F205-M311 HydrophobicContact CE1-SD 4.15Å; F205-M311 HydrophobicContact CE2-CG 3.92Å; F205-M311 HydrophobicContact CZ-CG 3.47Å; F205-M311 VanDerWaalsContact CZ-CG 3.47Å; F205-M311 HydrophobicContact CZ-SD 4.3Å; F205-T313 HydrophobicContact CE1-CG2 4.4Å; F205-D406 HydrophobicContact CD2-CB 4.29Å; F205-D406 HydrophobicContact CE1-CB 4.17Å; F205-D406 HydrophobicContact CE2-CB 3.83Å; F205-D406 HydrophobicContact CZ-CB 3.77Å; F205-I408 HydrophobicContact CD2-CD1 3.95Å; F205-I408 HydrophobicContact CD2-CG1 3.95Å; F205-I408 HydrophobicContact CE2-CD1 4.25Å; F205-I408 HydrophobicContact CE2-CG1 3.72Å
206	C	86.2	Confident	88.6	Confident	81 Å²	81	58.7 Å²	58.7	55%	0.547	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-34.6	176.4	-74.6	0	0	0	0	114	T204 K249	T204-C206 PolarHBondContact O-N 2.79Å; T204-C206 PolarHBondContact OG1-N 2.95Å; C206-K249 PolarHBondContact O-NZ 3.21Å
207	S	86.9	Confident	88.5	Confident	39 Å²	39	53.7 Å²	53.7	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-29.8	-175	68.5	0	0	0	0	113.3	W203 T204 P209 G210	W203-S207 WeakPolarHBondContact CA-OG 3.32Å; T204-S207 PolarHBondContact N-OG 3.3Å; T204-S207 PolarHBondContact O-N 3.09Å; T204-S207 PolarHBondContact O-OG 3.36Å; T204-S207 VanDerWaalsContact O-OG 3.09Å; T204-S207 PolarHBondContact OG1-N 3.37Å; S207-P209 VanDerWaalsContact C-N 3.29Å; S207-P209 VanDerWaalsContact O-N 3.14Å; S207-G210 PolarHBondContact O-N 3.48Å
208	V	86.2	Confident	88.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-47.2	-42.5	-177.7	166.5	0	0	0	0	113.6	T204 G210 L211 L212 A245 F309 M311 I408	T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 2.73Å; V208-G210 PolarHBondContact O-N 3.33Å; V208-L211 HydrophobicContact CG2-CD1 4.5Å; V208-L211 WeakPolarHBondContact O-CB 3.37Å; V208-L211 PolarHBondContact O-N 3.21Å; V208-L212 HydrophobicContact CG1-CD1 3.5Å; V208-L212 VanDerWaalsContact CG1-CD1 3.5Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; V208-A245 HydrophobicContact CG1-CB 4.29Å; V208-F309 HydrophobicContact CG1-CZ 4.23Å; V208-F309 HydrophobicContact CG2-CZ 4.2Å; V208-M311 HydrophobicContact CB-SD 4.49Å; V208-M311 HydrophobicContact CG1-CE 4.35Å; V208-M311 HydrophobicContact CG1-SD 4.11Å; V208-M311 HydrophobicContact CG2-SD 4.38Å; V208-I408 HydrophobicContact CG2-CD1 3.59Å
209	P	84.2	Confident	88.6	Confident	21 Å²	21	49.4 Å²	49.4	14%	0.136	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.3	-18.2	178.5	-23.2	33.7	0	0	0	115.7	S207 A245 K246 K249	S207-P209 VanDerWaalsContact C-N 3.29Å; S207-P209 VanDerWaalsContact O-N 3.14Å; P209-A245 HydrophobicContact CB-CB 3.9Å; P209-A245 HydrophobicContact CG-CB 3.94Å; P209-A245 WeakPolarHBondContact CG-O 3.45Å; P209-K246 HydrophobicContact CB-CG 3.87Å; P209-K249 HydrophobicContact CG-CB 4.04Å; P209-K249 HydrophobicContact CG-CD 3.79Å
210	G	85.4	Confident	88.6	Confident	66 Å²	66	45.2 Å²	45.2	68%	0.68	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-88.3	-6.3	174.6	0	0	0	0	0	114.2	S207 V208	S207-G210 PolarHBondContact O-N 3.48Å; V208-G210 PolarHBondContact O-N 3.33Å
211	L	86.4	Confident	88.6	Confident	17 Å²	17	45.3 Å²	45.3	9%	0.089	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-11.6	-177.3	-50.9	177.2	0	0	0	113	W203 V208 F285 D286	W203-L211 HydrophobicContact CB-CD1 4.43Å; W203-L211 HydrophobicContact CD2-CD1 3.63Å; W203-L211 HydrophobicContact CE3-CD1 4.35Å; W203-L211 HydrophobicContact CG-CD1 3.65Å; W203-L211 HydrophobicContact CZ2-CD1 4.19Å; V208-L211 HydrophobicContact CG2-CD1 4.5Å; V208-L211 WeakPolarHBondContact O-CB 3.37Å; V208-L211 PolarHBondContact O-N 3.21Å; L211-F285 HydrophobicContact CB-CD1 4.03Å; L211-F285 HydrophobicContact CB-CE1 3.96Å; L211-F285 HydrophobicContact CD1-CE1 4.1Å; L211-D286 PolarHBondContact O-N 2.88Å
212	L	85	Confident	88.4	Confident	17 Å²	17	42.9 Å²	42.9	9%	0.089	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-118.9	140.1	-165.3	-59	163.3	0	0	0	110.7	V208 D214 F217 A245 C284 F285	V208-L212 HydrophobicContact CG1-CD1 3.5Å; V208-L212 VanDerWaalsContact CG1-CD1 3.5Å; V208-L212 HydrophobicContact CG1-CG 4.41Å; L212-D214 PolarHBondContact O-N 3.21Å; L212-F217 HydrophobicContact CD1-CE2 3.66Å; L212-F217 HydrophobicContact CD1-CZ 3.43Å; L212-F217 VanDerWaalsContact CD1-CZ 3.43Å; L212-F217 HydrophobicContact CD2-CZ 4Å; L212-F217 HydrophobicContact CG-CZ 4.3Å; L212-A245 HydrophobicContact CD1-CB 3.46Å; L212-A245 VanDerWaalsContact CD1-CB 3.46Å; L212-C284 HydrophobicContact CD2-CB 4.3Å; L212-C284 WeakPolarHBondContact CD2-O 3.5Å; L212-F285 HydrophobicContact CD2-CD1 4.09Å; L212-F285 HydrophobicContact CD2-CD2 3.57Å; L212-F285 HydrophobicContact CD2-CE1 4.07Å; L212-F285 HydrophobicContact CD2-CE2 3.53Å; L212-F285 HydrophobicContact CD2-CG 3.84Å; L212-F285 HydrophobicContact CD2-CZ 3.79Å
213	E	70.3	Confident	88.3	Confident	137 Å²	137	40 Å²	40	64%	0.64	24%	0.238	S	C	*	.	S	Bend	trans	-83.1	71.2	179.4	-66.6	-172.6	179.8	0	0	111.9	Y215 D286	E213-Y215 PolarHBondContact O-N 3.22Å; E213-D286 HydrophobicContact CG-CB 4.43Å
214	D	79.9	Confident	88	Confident	108 Å²	108	43 Å²	43	58%	0.578	25%	0.25	S	C	*	.	S	Bend	trans	44.9	25.8	179.7	-73.8	-33.1	0	0	0	114.4	L212 K246	L212-D214 PolarHBondContact O-N 3.21Å; D214-K246 IonicContact OD1-NZ 2.88Å; D214-K246 PolarHBondContact OD1-NZ 2.77Å
215	Y	86.5	Confident	87.5	Confident	67 Å²	67	47.3 Å²	47.3	26%	0.263	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.1	-176.6	-168.1	-89	0	0	0	110.2	E213 F217 N244 D283 C284	E213-Y215 PolarHBondContact O-N 3.22Å; Y215-F217 AromaticContact CD1-CD1 3.54Å; Y215-F217 HydrophobicContact CD1-CD1 3.54Å; Y215-F217 AromaticContact CD1-CE1 3.45Å; Y215-F217 HydrophobicContact CD1-CE1 3.45Å; Y215-F217 VanDerWaalsContact CD1-CE1 3.45Å; Y215-F217 HydrophobicContact CD1-CG 4.21Å; Y215-F217 HydrophobicContact CD1-CZ 4.04Å; Y215-F217 AromaticContact CE1-CD1 3.73Å; Y215-F217 HydrophobicContact CE1-CD1 3.73Å; Y215-F217 AromaticContact CE1-CE1 3.91Å; Y215-F217 HydrophobicContact CE1-CE1 3.91Å; Y215-F217 HydrophobicContact CG-CE1 4.44Å; Y215-N244 VanDerWaalsContact O-CA 3.24Å; Y215-N244 WeakPolarHBondContact O-CA 3.33Å; Y215-N244 VanDerWaalsContact O-CB 3.24Å; Y215-N244 WeakPolarHBondContact O-CB 3.22Å; Y215-D283 HydrophobicContact CE2-CB 4.42Å; Y215-D283 WeakPolarHBondContact CE2-O 3.38Å; Y215-C284 HydrophobicContact CD1-CB 3.57Å; Y215-C284 HydrophobicContact CD2-CB 3.6Å; Y215-C284 HydrophobicContact CE1-CB 3.8Å; Y215-C284 HydrophobicContact CE2-CB 3.81Å; Y215-C284 HydrophobicContact CG-CB 3.47Å; Y215-C284 VanDerWaalsContact CG-CB 3.47Å
216	V	91.9	Very high	86.8	Confident	79 Å²	79	47.7 Å²	47.7	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.2	178.1	179.5	0	0	0	0	108.3	H242 N244	V216-H242 HydrophobicContact CG1-CB 3.78Å; V216-N244 HydrophobicContact CG2-CB 4.44Å
217	F	91.6	Very high	85.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	148.3	180	-60.1	-68.3	0	0	0	111.4	L212 Y215 I219 H242 A243 A245 V276 E279 C284	L212-F217 HydrophobicContact CD1-CE2 3.66Å; L212-F217 HydrophobicContact CD1-CZ 3.43Å; L212-F217 VanDerWaalsContact CD1-CZ 3.43Å; L212-F217 HydrophobicContact CD2-CZ 4Å; L212-F217 HydrophobicContact CG-CZ 4.3Å; Y215-F217 AromaticContact CD1-CD1 3.54Å; Y215-F217 HydrophobicContact CD1-CD1 3.54Å; Y215-F217 AromaticContact CD1-CE1 3.45Å; Y215-F217 HydrophobicContact CD1-CE1 3.45Å; Y215-F217 VanDerWaalsContact CD1-CE1 3.45Å; Y215-F217 HydrophobicContact CD1-CG 4.21Å; Y215-F217 HydrophobicContact CD1-CZ 4.04Å; Y215-F217 AromaticContact CE1-CD1 3.73Å; Y215-F217 HydrophobicContact CE1-CD1 3.73Å; Y215-F217 AromaticContact CE1-CE1 3.91Å; Y215-F217 HydrophobicContact CE1-CE1 3.91Å; Y215-F217 HydrophobicContact CG-CE1 4.44Å; F217-I219 HydrophobicContact CB-CD1 4.36Å; F217-I219 HydrophobicContact CB-CG1 3.91Å; F217-H242 VanDerWaalsContact O-CA 3.3Å; F217-H242 WeakPolarHBondContact O-CA 3.36Å; F217-A243 PolarHBondContact N-O 3.33Å; F217-A243 PolarHBondContact O-N 3.37Å; F217-A245 HydrophobicContact CE2-CB 4.12Å; F217-V276 HydrophobicContact CB-CG1 4.05Å; F217-V276 HydrophobicContact CB-CG2 4.23Å; F217-V276 HydrophobicContact CD1-CG1 3.71Å; F217-V276 HydrophobicContact CE1-CG1 4.29Å; F217-V276 HydrophobicContact CG-CG1 3.85Å; F217-V276 HydrophobicContact CG-CG2 4.37Å; F217-E279 HydrophobicContact CD1-CG 3.69Å; F217-E279 HydrophobicContact CE1-CB 4.46Å; F217-E279 HydrophobicContact CE1-CG 4.03Å; F217-C284 HydrophobicContact CE1-CB 4.04Å
218	G	92.9	Very high	85.1	Confident	22 Å²	22	52.7 Å²	52.7	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.2	153.7	0	0	0	0	0	108.5
219	I	95.4	Very high	84.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.1	-175.7	-45.2	-169.1	0	0	0	108.6	F217 M221 Q240 A241 A243 F248 L264 A274 V276	F217-I219 HydrophobicContact CB-CD1 4.36Å; F217-I219 HydrophobicContact CB-CG1 3.91Å; I219-M221 HydrophobicContact CB-SD 4.42Å; I219-M221 HydrophobicContact CG2-SD 3.8Å; I219-Q240 WeakPolarHBondContact O-CA 3.32Å; I219-A241 WeakPolarHBondContact CA-O 3.32Å; I219-A241 WeakPolarHBondContact CB-O 3.27Å; I219-A241 PolarHBondContact N-O 2.92Å; I219-A241 PolarHBondContact O-N 3.06Å; I219-A243 HydrophobicContact CD1-CB 3.87Å; I219-F248 HydrophobicContact CD1-CB 4.32Å; I219-F248 HydrophobicContact CD1-CD2 3.55Å; I219-F248 HydrophobicContact CD1-CE2 4.17Å; I219-F248 HydrophobicContact CD1-CG 4.19Å; I219-F248 HydrophobicContact CG2-CD2 4.4Å; I219-F248 HydrophobicContact CG2-CE2 4.02Å; I219-L264 HydrophobicContact CD1-CD1 4.36Å; I219-L264 HydrophobicContact CD1-CD2 4.3Å; I219-A274 HydrophobicContact CG2-CB 3.89Å; I219-V276 HydrophobicContact CD1-CG2 4.17Å; I219-V276 HydrophobicContact CG1-CG2 4.04Å; I219-V276 HydrophobicContact CG2-CG2 4.26Å
220	R	95.3	Very high	83.9	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.011	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.5	172.2	-64.7	-155.5	-72.5	127.8	-6.7	110.4	E235 C238 W273 A274 Y275 D277 F317	R220-E235 IonicContact NH2-OE1 3.69Å; R220-C238 HydrophobicContact CB-CB 4.06Å; R220-C238 HydrophobicContact CG-CB 4.28Å; R220-W273 HydrophobicContact CB-CZ3 4.27Å; R220-A274 CarbonylContact O-C 3.48Å; R220-A274 VanDerWaalsContact O-CA 3.26Å; R220-A274 WeakPolarHBondContact O-CA 3.41Å; R220-Y275 PolarHBondContact N-O 3.33Å; R220-Y275 PolarHBondContact O-N 3.25Å; R220-D277 IonicContact CZ-OD2 2.85Å; R220-D277 IonicContact NE-OD1 3.77Å; R220-D277 IonicContact NE-OD2 3.93Å; R220-D277 PolarHBondContact NE-OD2 3.18Å; R220-D277 IonicContact NH2-OD2 2.86Å; R220-D277 PolarHBondContact NH2-OD2 3.23Å; R220-F317 PolarHBondContact NH1-O 3.26Å; R220-F317 PolarHBondContact NH2-O 2.98Å
221	M	95.3	Very high	83.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.4	177.7	-52.2	-55.6	-69.9	0	0	108.4	I219 A239 A241 W251 L264 F267 Y272 A274	I219-M221 HydrophobicContact CB-SD 4.42Å; I219-M221 HydrophobicContact CG2-SD 3.8Å; M221-A239 HydrophobicContact CB-CB 4.22Å; M221-A239 PolarHBondContact N-O 3.09Å; M221-A239 PolarHBondContact O-N 2.59Å; M221-A241 HydrophobicContact CG-CB 3.97Å; M221-A241 HydrophobicContact SD-CB 4.39Å; M221-W251 HydrophobicContact CE-CH2 4.02Å; M221-W251 HydrophobicContact CE-CZ2 3.68Å; M221-L264 HydrophobicContact CE-CD2 3.93Å; M221-L264 HydrophobicContact SD-CD2 3.79Å; M221-F267 HydrophobicContact CB-CD1 3.74Å; M221-F267 HydrophobicContact CB-CE1 3.81Å; M221-F267 HydrophobicContact CB-CG 4.18Å; M221-F267 HydrophobicContact CB-CZ 4.31Å; M221-F267 HydrophobicContact CE-CB 3.47Å; M221-F267 VanDerWaalsContact CE-CB 3.47Å; M221-F267 HydrophobicContact CE-CD1 4.41Å; M221-F267 HydrophobicContact CE-CD2 4.24Å; M221-F267 HydrophobicContact CE-CG 3.81Å; M221-F267 HydrophobicContact CG-CD1 3.99Å; M221-F267 HydrophobicContact CG-CD2 4.01Å; M221-F267 HydrophobicContact CG-CE1 4.07Å; M221-F267 HydrophobicContact CG-CE2 4.1Å; M221-F267 HydrophobicContact CG-CG 3.96Å; M221-F267 HydrophobicContact CG-CZ 4.11Å; M221-Y272 HydrophobicContact CB-CD1 4.26Å; M221-A274 HydrophobicContact CE-CB 3.85Å; M221-A274 HydrophobicContact SD-CB 3.59Å; M221-A274 VanDerWaalsContact SD-CB 3.59Å
222	G	92	Very high	83.4	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.3	174.9	0	0	0	0	0	111.7	Y272 W273	G222-Y272 CarbonylContact O-C 3.48Å; G222-Y272 WeakPolarHBondContact O-CA 3.44Å; G222-Y272 WeakPolarHBondContact O-CD1 3.2Å; G222-W273 VanDerWaalsContact CA-CE2 3.42Å; G222-W273 PolarHBondContact N-O 3.04Å; G222-W273 VanDerWaalsContact N-O 3.14Å; G222-W273 VanDerWaalsContact O-CD1 3.28Å; G222-W273 PolarHBondContact O-N 3.32Å; G222-W273 PolarHBondContact O-NE1 3.19Å
223	L	90.7	Very high	83.4	Confident	86 Å²	86	61.2 Å²	61.2	45%	0.45	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.7	177.6	-70.5	169.7	0	0	0	110.2	Q225 K271 Y272 W273	L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 WeakPolarHBondContact CB-O 3.5Å; L223-K271 CarbonylContact C-O 3.48Å; L223-K271 WeakPolarHBondContact CA-O 3.5Å; L223-Y272 HydrophobicContact CD2-CD1 4.02Å; L223-Y272 HydrophobicContact CD2-CD2 4.34Å; L223-Y272 HydrophobicContact CD2-CE1 3.5Å; L223-Y272 HydrophobicContact CD2-CE2 3.85Å; L223-Y272 HydrophobicContact CD2-CG 4.41Å; L223-Y272 VanDerWaalsContact CD2-CZ 3.4Å; L223-Y272 HydrophobicContact CG-CD1 4.4Å; L223-Y272 HydrophobicContact CG-CE1 3.87Å; L223-W273 PolarHBondContact O-NE1 2.88Å
224	R	88.1	Confident	84.1	Confident	72 Å²	72	56.3 Å²	56.3	27%	0.272	30%	0.297	S	S	.	.	S	Bend	trans	-71	-28.9	172.7	-66.8	-179.6	-179.4	-72.1	-11	112.2	K269 E270 K271 Y272 W273 S314	R224-K269 PolarHBondContact NE-O 2.97Å; R224-E270 WeakPolarHBondContact CD-O 3.26Å; R224-K271 PolarHBondContact N-O 3.08Å; R224-Y272 PolarHBondContact NE-O 3.07Å; R224-Y272 VanDerWaalsContact NE-O 3.08Å; R224-Y272 PolarHBondContact NH2-O 3.31Å; R224-W273 HydrophobicContact CG-CB 4.45Å; R224-S314 PolarHBondContact NH1-O 3.06Å
225	Q	80.6	Confident	84.3	Confident	148 Å²	148	51.7 Å²	51.7	69%	0.692	27%	0.272	S	S	*	.	S	Bend	trans	-89.8	123.8	171.7	-70.2	179.6	-20.7	0	0	108.3	L223	L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 WeakPolarHBondContact CB-O 3.5Å
226	Y	71.3	Confident	83.9	Confident	33 Å²	33	50.1 Å²	50.1	13%	0.129	27%	0.269	C	S	.	.			trans	-112	97.8	179.5	-173.5	-89.1	0	0	0	108	K231 L233 D367 F369 H370	Y226-K231 VanDerWaalsContact OH-C 3.29Å; Y226-K231 PolarHBondContact OH-O 3.1Å; Y226-L233 HydrophobicContact CE2-CB 4.32Å; Y226-D367 WeakPolarHBondContact CE1-OD2 3.25Å; Y226-D367 VanDerWaalsContact OH-CG 3.24Å; Y226-D367 PolarHBondContact OH-OD1 3.02Å; Y226-D367 PolarHBondContact OH-OD2 2.84Å; Y226-F369 HydrophobicContact CD1-CB 4.32Å; Y226-F369 HydrophobicContact CD1-CD2 4.49Å; Y226-F369 HydrophobicContact CD2-CD2 4.38Å; Y226-F369 HydrophobicContact CE1-CB 4.21Å; Y226-F369 HydrophobicContact CE1-CD2 4.37Å; Y226-F369 HydrophobicContact CE2-CD2 4.25Å; Y226-F369 HydrophobicContact CG-CD2 4.47Å; Y226-H370 AromaticContact CD1-CE1 3.62Å; Y226-H370 AromaticContact CE1-CE1 3.53Å; Y226-H370 AromaticContact CE1-ND1 3.61Å
227	D	65.9	Low	83.4	Confident	113 Å²	113	50.2 Å²	50.2	60%	0.604	27%	0.266	S	S	*	.			trans	-100	-9.7	-165.2	-63.4	-29.4	0	0	0	114	P229	D227-P229 VanDerWaalsContact O-CD 3.26Å; D227-P229 WeakPolarHBondContact O-CD 3.5Å
228	E	71.8	Confident	83.2	Confident	111 Å²	111	50.6 Å²	50.6	52%	0.519	27%	0.269	S	S	.	.			trans	-116.4	90.6	-171.4	-67.5	-177.2	-175.3	0	0	112	G230 K231	E228-G230 PolarHBondContact O-N 2.84Å; E228-K231 HydrophobicContact CB-CB 4.19Å; E228-K231 HydrophobicContact CB-CD 4.38Å; E228-K231 PolarHBondContact O-N 2.77Å; E228-K231 WeakPolarHBondContact OE2-CD 3.34Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 3.89Å; E228-K231 PolarHBondContact OE2-NZ 2.83Å
229	P	72.4	Confident	83.1	Confident	63 Å²	63	51.6 Å²	51.6	41%	0.409	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.7	176	-23.2	30.9	0	0	0	113.1	D227 K231 A510	D227-P229 VanDerWaalsContact O-CD 3.26Å; D227-P229 WeakPolarHBondContact O-CD 3.5Å; P229-K231 VanDerWaalsContact C-N 3.29Å; P229-K231 PolarHBondContact O-N 3.21Å; P229-A510 HydrophobicContact CB-CB 3.76Å; P229-A510 HydrophobicContact CG-CB 3.38Å
230	G	72.5	Confident	83	Confident	57 Å²	57	55.6 Å²	55.6	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-8.8	177.8	0	0	0	0	0	114.5	E228 I232 D367	E228-G230 PolarHBondContact O-N 2.84Å; G230-I232 PolarHBondContact O-N 2.64Å; G230-D367 PolarHBondContact N-OD2 3.42Å
231	K	78.8	Confident	83	Confident	121 Å²	121	55.5 Å²	55.5	53%	0.526	29%	0.294	S	S	.	.			trans	-98.9	90.7	176.8	-172.7	-174.6	176.9	176.9	0	111.2	Y226 E228 P229 L233	Y226-K231 VanDerWaalsContact OH-C 3.29Å; Y226-K231 PolarHBondContact OH-O 3.1Å; E228-K231 HydrophobicContact CB-CB 4.19Å; E228-K231 HydrophobicContact CB-CD 4.38Å; E228-K231 PolarHBondContact O-N 2.77Å; E228-K231 WeakPolarHBondContact OE2-CD 3.34Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 3.89Å; E228-K231 PolarHBondContact OE2-NZ 2.83Å; P229-K231 VanDerWaalsContact C-N 3.29Å; P229-K231 PolarHBondContact O-N 3.21Å; K231-L233 PolarHBondContact O-N 2.86Å
232	I	83.8	Confident	83	Confident	20 Å²	20	60 Å²	60	10%	0.103	31%	0.314	C	S	.	.			trans	-61.3	119.6	179.3	-55.2	157.9	0	0	0	109.5	G230 Y234 A319 S364 C366 D367	G230-I232 PolarHBondContact O-N 2.64Å; I232-Y234 VanDerWaalsContact C-N 3.35Å; I232-Y234 HydrophobicContact CB-CE1 4.05Å; I232-Y234 HydrophobicContact CB-CE2 4.07Å; I232-Y234 HydrophobicContact CD1-CE1 4.4Å; I232-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I232-Y234 HydrophobicContact CG2-CD1 3.71Å; I232-Y234 HydrophobicContact CG2-CD2 4.47Å; I232-Y234 HydrophobicContact CG2-CE1 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE1 3.44Å; I232-Y234 HydrophobicContact CG2-CE2 4.27Å; I232-Y234 HydrophobicContact CG2-CG 4.21Å; I232-Y234 PolarHBondContact O-N 2.85Å; I232-Y234 VanDerWaalsContact O-N 3.09Å; I232-A319 HydrophobicContact CG2-CB 4.05Å; I232-S364 WeakPolarHBondContact CD1-O 3.28Å; I232-C366 VanDerWaalsContact CD1-C 3.47Å; I232-D367 HydrophobicContact CG1-CB 4Å
233	L	84.4	Confident	83.1	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.209	31%	0.313	C	S	.	.			trans	-80.6	87.8	171.7	-179.4	69.3	0	0	0	108.6	Y226 K231 L237 W273 F317	Y226-L233 HydrophobicContact CE2-CB 4.32Å; K231-L233 PolarHBondContact O-N 2.86Å; L233-L237 HydrophobicContact CD1-CB 4.02Å; L233-W273 HydrophobicContact CD2-CZ2 3.95Å; L233-F317 HydrophobicContact CB-CZ 4.03Å; L233-F317 HydrophobicContact CD2-CZ 4.14Å; L233-F317 HydrophobicContact CG-CZ 4.48Å
234	Y	85.8	Confident	83.3	Confident	34 Å²	34	57.2 Å²	57.2	13%	0.133	30%	0.299	C	S	.	.			trans	-67.7	160.4	170.4	-56.4	-69.5	0	0	0	111.6	I232 T236 L237 C238 A319 P356 Y363 S364	I232-Y234 VanDerWaalsContact C-N 3.35Å; I232-Y234 HydrophobicContact CB-CE1 4.05Å; I232-Y234 HydrophobicContact CB-CE2 4.07Å; I232-Y234 HydrophobicContact CD1-CE1 4.4Å; I232-Y234 WeakPolarHBondContact CD1-OH 3.47Å; I232-Y234 HydrophobicContact CG2-CD1 3.71Å; I232-Y234 HydrophobicContact CG2-CD2 4.47Å; I232-Y234 HydrophobicContact CG2-CE1 3.44Å; I232-Y234 VanDerWaalsContact CG2-CE1 3.44Å; I232-Y234 HydrophobicContact CG2-CE2 4.27Å; I232-Y234 HydrophobicContact CG2-CG 4.21Å; I232-Y234 PolarHBondContact O-N 2.85Å; I232-Y234 VanDerWaalsContact O-N 3.09Å; Y234-T236 PolarHBondContact O-N 2.86Å; Y234-L237 HydrophobicContact CD2-CD1 3.93Å; Y234-L237 PolarHBondContact O-N 3.16Å; Y234-C238 PolarHBondContact O-N 3.33Å; Y234-C238 PolarHBondContact O-SG 3.25Å; Y234-C238 VanDerWaalsContact O-SG 3.38Å; Y234-A319 HydrophobicContact CD1-CB 3.97Å; Y234-A319 HydrophobicContact CE1-CB 4.49Å; Y234-P356 HydrophobicContact CD1-CG 3.95Å; Y234-P356 HydrophobicContact CD2-CG 4.07Å; Y234-P356 HydrophobicContact CG-CG 3.64Å; Y234-Y363 AromaticContact CD1-CD1 3.87Å; Y234-Y363 HydrophobicContact CD1-CD1 3.87Å; Y234-Y363 HydrophobicContact CD1-CE1 4.44Å; Y234-Y363 HydrophobicContact CD1-CG 4.22Å; Y234-Y363 HydrophobicContact CE1-CD1 4.14Å; Y234-Y363 HydrophobicContact CE1-CG 4.24Å; Y234-S364 PolarHBondContact OH-O 2.67Å
235	E	83.6	Confident	83.4	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.056	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-50.9	-42.6	177.9	-69.6	62.9	-148.6	0	0	111.2	R220 L237 C238 T318 A319 Y363	R220-E235 IonicContact NH2-OE1 3.69Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.12Å; E235-C238 WeakPolarHBondContact O-CB 3.3Å; E235-C238 PolarHBondContact O-N 3.27Å; E235-T318 WeakPolarHBondContact OE1-CA 3.24Å; E235-T318 WeakPolarHBondContact OE1-CG2 3.41Å; E235-A319 PolarHBondContact OE1-N 3.33Å; E235-Y363 WeakPolarHBondContact OE2-CE1 3.2Å; E235-Y363 PolarHBondContact OE2-OH 2.99Å
236	T	77.5	Confident	83.9	Confident	34 Å²	34	52.7 Å²	52.7	21%	0.209	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-63.2	-31.6	176.7	46.5	0	0	0	0	114.9	Y234 C238 P356 G443 I446	Y234-T236 PolarHBondContact O-N 2.86Å; T236-C238 VanDerWaalsContact C-N 3.35Å; T236-P356 HydrophobicContact CG2-CB 3.8Å; T236-P356 HydrophobicContact CG2-CG 4.46Å; T236-G443 WeakPolarHBondContact CB-O 3.29Å; T236-G443 PolarHBondContact OG1-O 3.47Å; T236-I446 HydrophobicContact CG2-CB 4.32Å; T236-I446 HydrophobicContact CG2-CD1 3.68Å; T236-I446 HydrophobicContact CG2-CG1 3.04Å
237	L	82.5	Confident	85	Confident	80 Å²	80	53.4 Å²	53.4	42%	0.419	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-89.8	-9	-174.6	-59.4	-178.2	0	0	0	111.6	L233 Y234 E235	L233-L237 HydrophobicContact CD1-CB 4.02Å; Y234-L237 HydrophobicContact CD2-CD1 3.93Å; Y234-L237 PolarHBondContact O-N 3.16Å; E235-L237 VanDerWaalsContact C-N 3.3Å; E235-L237 PolarHBondContact O-N 3.12Å
238	C	86.8	Confident	86.3	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.054	26%	0.257	C	S	.	.	S	Bend	trans	-67.9	143.5	173.5	-64.4	0	0	0	0	110.5	R220 Y234 E235 T236	R220-C238 HydrophobicContact CB-CB 4.06Å; R220-C238 HydrophobicContact CG-CB 4.28Å; Y234-C238 PolarHBondContact O-N 3.33Å; Y234-C238 PolarHBondContact O-SG 3.25Å; Y234-C238 VanDerWaalsContact O-SG 3.38Å; E235-C238 WeakPolarHBondContact O-CB 3.3Å; E235-C238 PolarHBondContact O-N 3.27Å; T236-C238 VanDerWaalsContact C-N 3.35Å
239	A	91.4	Very high	87.3	Confident	43 Å²	43	46 Å²	46	36%	0.355	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	148.5	165.6	0	0	0	0	0	109.1	M221 F267	M221-A239 HydrophobicContact CB-CB 4.22Å; M221-A239 PolarHBondContact N-O 3.09Å; M221-A239 PolarHBondContact O-N 2.59Å; A239-F267 HydrophobicContact CB-CE1 3.62Å; A239-F267 HydrophobicContact CB-CZ 3.98Å
240	Q	92.3	Very high	88.3	Confident	85 Å²	85	43.7 Å²	43.7	40%	0.397	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	-178.3	-61.3	-66.6	-31.9	0	0	109.8	I219	I219-Q240 WeakPolarHBondContact O-CA 3.32Å
241	A	95.5	Very high	89.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.2	169.4	0	0	0	0	0	109.4	I219 M221 E263 L264 F267	I219-A241 WeakPolarHBondContact CA-O 3.32Å; I219-A241 WeakPolarHBondContact CB-O 3.27Å; I219-A241 PolarHBondContact N-O 2.92Å; I219-A241 PolarHBondContact O-N 3.06Å; M221-A241 HydrophobicContact CG-CB 3.97Å; M221-A241 HydrophobicContact SD-CB 4.39Å; A241-E263 HydrophobicContact CB-CB 4.28Å; A241-L264 HydrophobicContact CB-CD2 3.71Å; A241-L264 HydrophobicContact CB-CG 4.47Å; A241-F267 HydrophobicContact CB-CD2 4.15Å; A241-F267 HydrophobicContact CB-CE2 3.77Å
242	H	95.8	Very high	90.1	Very high	96 Å²	96	36 Å²	36	44%	0.444	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.4	174.4	-58.2	81.9	0	0	0	110.1	V216 F217 E263	V216-H242 HydrophobicContact CG1-CB 3.78Å; F217-H242 VanDerWaalsContact O-CA 3.3Å; F217-H242 WeakPolarHBondContact O-CA 3.36Å; H242-E263 IonicContact CG-OE2 3.68Å; H242-E263 PolarHBondContact N-OE2 3.09Å; H242-E263 IonicContact ND1-OE2 2.63Å; H242-E263 PolarHBondContact ND1-OE2 2.86Å
243	A	94.4	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.5	178.2	0	0	0	0	0	111.2	F217 I219 Q247 L264	F217-A243 PolarHBondContact N-O 3.33Å; F217-A243 PolarHBondContact O-N 3.37Å; I219-A243 HydrophobicContact CD1-CB 3.87Å; A243-Q247 HydrophobicContact CB-CB 3.94Å; A243-L264 HydrophobicContact CB-CD1 3.59Å; A243-L264 HydrophobicContact CB-CG 3.86Å
244	N	93.2	Very high	90.9	Very high	31 Å²	31	39.5 Å²	39.5	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	169.4	170.3	67	41.9	0	0	0	111.5	Y215 V216 K246 Q247 F248	Y215-N244 VanDerWaalsContact O-CA 3.24Å; Y215-N244 WeakPolarHBondContact O-CA 3.33Å; Y215-N244 VanDerWaalsContact O-CB 3.24Å; Y215-N244 WeakPolarHBondContact O-CB 3.22Å; V216-N244 HydrophobicContact CG2-CB 4.44Å; N244-K246 VanDerWaalsContact C-N 3.26Å; N244-K246 PolarHBondContact O-N 3.14Å; N244-K246 WeakPolarHBondContact OD1-CB 3.1Å; N244-K246 PolarHBondContact OD1-N 2.99Å; N244-Q247 PolarHBondContact O-N 2.93Å; N244-Q247 WeakPolarHBondContact OD1-CG 3.26Å; N244-Q247 PolarHBondContact OD1-N 2.92Å; N244-F248 WeakPolarHBondContact O-CB 3.11Å; N244-F248 PolarHBondContact O-N 3.22Å
245	A	90.8	Very high	91.4	Very high	8 Å²	8	42.9 Å²	42.9	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-34.4	-179.1	0	0	0	0	0	114.3	V208 P209 L212 F217 F248 K249	V208-A245 HydrophobicContact CG1-CB 4.29Å; P209-A245 HydrophobicContact CB-CB 3.9Å; P209-A245 HydrophobicContact CG-CB 3.94Å; P209-A245 WeakPolarHBondContact CG-O 3.45Å; L212-A245 HydrophobicContact CD1-CB 3.46Å; L212-A245 VanDerWaalsContact CD1-CB 3.46Å; F217-A245 HydrophobicContact CE2-CB 4.12Å; A245-F248 PolarHBondContact O-N 2.8Å; A245-K249 VanDerWaalsContact O-CB 3.3Å; A245-K249 WeakPolarHBondContact O-CB 3.18Å; A245-K249 PolarHBondContact O-N 3.15Å
246	K	91.7	Very high	91.9	Very high	118 Å²	118	46.8 Å²	46.8	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-46.2	179.2	-64.6	169.7	-176.1	148.8	0	110.4	P209 D214 N244 K249 A250	P209-K246 HydrophobicContact CB-CG 3.87Å; D214-K246 IonicContact OD1-NZ 2.88Å; D214-K246 PolarHBondContact OD1-NZ 2.77Å; N244-K246 VanDerWaalsContact C-N 3.26Å; N244-K246 PolarHBondContact O-N 3.14Å; N244-K246 WeakPolarHBondContact OD1-CB 3.1Å; N244-K246 PolarHBondContact OD1-N 2.99Å; K246-K249 PolarHBondContact O-N 3.12Å; K246-A250 PolarHBondContact O-N 3.27Å
247	Q	94.1	Very high	92.7	Very high	47 Å²	47	50.7 Å²	50.7	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-44	175.6	-72.6	170.2	-33.5	0	0	111.5	A243 N244 K249 A250 W251	A243-Q247 HydrophobicContact CB-CB 3.94Å; N244-Q247 PolarHBondContact O-N 2.93Å; N244-Q247 WeakPolarHBondContact OD1-CG 3.26Å; N244-Q247 PolarHBondContact OD1-N 2.92Å; Q247-K249 VanDerWaalsContact C-N 3.34Å; Q247-K249 PolarHBondContact O-N 2.97Å; Q247-A250 PolarHBondContact O-N 2.77Å; Q247-W251 PolarHBondContact O-N 3.46Å
248	F	94	Very high	93.3	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-43.3	176.6	-174.3	-109.9	0	0	0	112.2	F205 I219 N244 A245 W251 C252 L264 A274 M311 T313	F205-F248 HydrophobicContact CD1-CE1 4.12Å; F205-F248 AromaticContact CE1-CE1 3.69Å; F205-F248 HydrophobicContact CE1-CE1 3.69Å; F205-F248 HydrophobicContact CE1-CZ 4.32Å; I219-F248 HydrophobicContact CD1-CB 4.32Å; I219-F248 HydrophobicContact CD1-CD2 3.55Å; I219-F248 HydrophobicContact CD1-CE2 4.17Å; I219-F248 HydrophobicContact CD1-CG 4.19Å; I219-F248 HydrophobicContact CG2-CD2 4.4Å; I219-F248 HydrophobicContact CG2-CE2 4.02Å; N244-F248 WeakPolarHBondContact O-CB 3.11Å; N244-F248 PolarHBondContact O-N 3.22Å; A245-F248 PolarHBondContact O-N 2.8Å; F248-W251 HydrophobicContact CE2-CE3 4.42Å; F248-W251 PolarHBondContact O-N 3.16Å; F248-C252 PolarHBondContact O-N 3.15Å; F248-C252 PolarHBondContact O-SG 3.38Å; F248-L264 HydrophobicContact CB-CD1 4.35Å; F248-L264 HydrophobicContact CD2-CD1 3.99Å; F248-A274 HydrophobicContact CE2-CB 3.59Å; F248-A274 HydrophobicContact CZ-CB 4.15Å; F248-M311 HydrophobicContact CD1-CE 3.35Å; F248-M311 HydrophobicContact CD1-SD 3.99Å; F248-M311 HydrophobicContact CE1-CE 3.43Å; F248-M311 VanDerWaalsContact CE1-CE 3.43Å; F248-M311 HydrophobicContact CE1-CG 3.97Å; F248-M311 HydrophobicContact CE1-SD 3.77Å; F248-M311 HydrophobicContact CG-CE 4.31Å; F248-M311 HydrophobicContact CZ-CE 4.44Å; F248-T313 HydrophobicContact CZ-CG2 4.21Å
249	K	92	Very high	93.7	Very high	65 Å²	65	60.5 Å²	60.5	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-44.7	173.3	175.6	179.1	175.2	179.9	0	111.9	C206 P209 A245 K246 Q247 W251 C252 N253	C206-K249 PolarHBondContact O-NZ 3.21Å; P209-K249 HydrophobicContact CG-CB 4.04Å; P209-K249 HydrophobicContact CG-CD 3.79Å; A245-K249 VanDerWaalsContact O-CB 3.3Å; A245-K249 WeakPolarHBondContact O-CB 3.18Å; A245-K249 PolarHBondContact O-N 3.15Å; K246-K249 PolarHBondContact O-N 3.12Å; Q247-K249 VanDerWaalsContact C-N 3.34Å; Q247-K249 PolarHBondContact O-N 2.97Å; K249-W251 VanDerWaalsContact C-N 3.3Å; K249-W251 PolarHBondContact O-N 3.14Å; K249-C252 PolarHBondContact O-N 3.19Å; K249-N253 VanDerWaalsContact O-CG 3.27Å; K249-N253 PolarHBondContact O-N 3.19Å; K249-N253 PolarHBondContact O-ND2 3.5Å
250	A	93.6	Very high	93.8	Very high	16 Å²	16	61.3 Å²	61.3	13%	0.132	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-44	176.4	0	0	0	0	0	110.8	K246 Q247 C252 N253 G254 F255 V261	K246-A250 PolarHBondContact O-N 3.27Å; Q247-A250 PolarHBondContact O-N 2.77Å; A250-C252 PolarHBondContact O-N 3.42Å; A250-N253 CarbonylContact O-C 3.51Å; A250-N253 WeakPolarHBondContact O-CA 3.4Å; A250-N253 WeakPolarHBondContact O-CB 3.36Å; A250-N253 PolarHBondContact O-N 3.38Å; A250-G254 PolarHBondContact O-N 3.48Å; A250-F255 HydrophobicContact CB-CB 4.24Å; A250-F255 HydrophobicContact CB-CD2 4.2Å; A250-F255 HydrophobicContact CB-CG 4.32Å; A250-F255 WeakPolarHBondContact O-CB 3.32Å; A250-F255 VanDerWaalsContact O-CD2 3.23Å; A250-F255 WeakPolarHBondContact O-CD2 3.48Å; A250-F255 PolarHBondContact O-N 2.82Å; A250-F255 VanDerWaalsContact O-N 3.1Å; A250-V261 HydrophobicContact CB-CG1 3.89Å
251	W	95.6	Very high	94	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-44.7	174.9	-176.4	84.6	0	0	0	112.4	M221 Q247 F248 K249 N253 G254 V261 L264 F267 K269 Y272 A274 T313	M221-W251 HydrophobicContact CE-CH2 4.02Å; M221-W251 HydrophobicContact CE-CZ2 3.68Å; Q247-W251 PolarHBondContact O-N 3.46Å; F248-W251 HydrophobicContact CE2-CE3 4.42Å; F248-W251 PolarHBondContact O-N 3.16Å; K249-W251 VanDerWaalsContact C-N 3.3Å; K249-W251 PolarHBondContact O-N 3.14Å; W251-N253 PolarHBondContact O-N 3.06Å; W251-G254 PolarHBondContact O-N 2.76Å; W251-V261 HydrophobicContact CB-CB 4.16Å; W251-V261 HydrophobicContact CB-CG1 3.92Å; W251-L264 HydrophobicContact CB-CB 4.14Å; W251-L264 HydrophobicContact CB-CD1 3.69Å; W251-L264 HydrophobicContact CG-CB 3.82Å; W251-L264 HydrophobicContact CG-CD1 3.98Å; W251-L264 HydrophobicContact CG-CG 4.41Å; W251-L264 PolarHBondContact NE1-O 3.09Å; W251-F267 PolarHBondContact NE1-O 2.64Å; W251-K269 HydrophobicContact CH2-CB 4.28Å; W251-K269 HydrophobicContact CH2-CG 4.1Å; W251-K269 VanDerWaalsContact CZ2-CA 3.47Å; W251-K269 HydrophobicContact CZ2-CB 3.9Å; W251-K269 HydrophobicContact CZ2-CG 4.23Å; W251-K269 HydrophobicContact CZ3-CG 4.3Å; W251-Y272 WeakPolarHBondContact CH2-O 3.47Å; W251-A274 HydrophobicContact CE3-CB 4.34Å; W251-A274 HydrophobicContact CH2-CB 3.76Å; W251-A274 HydrophobicContact CZ3-CB 3.56Å; W251-T313 HydrophobicContact CZ3-CG2 3.95Å
252	C	93	Very high	93.9	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-29.5	174.1	-67.4	0	0	0	0	112.3	F248 K249 A250 G254 K269	F248-C252 PolarHBondContact O-N 3.15Å; F248-C252 PolarHBondContact O-SG 3.38Å; K249-C252 PolarHBondContact O-N 3.19Å; A250-C252 PolarHBondContact O-N 3.42Å; C252-G254 VanDerWaalsContact C-N 3.27Å; C252-G254 PolarHBondContact O-N 3.09Å; C252-K269 VanDerWaalsContact O-CE 3.32Å; C252-K269 WeakPolarHBondContact O-CE 3.5Å; C252-K269 PolarHBondContact O-NZ 3.18Å
253	N	92.9	Very high	94	Very high	98 Å²	98	56.1 Å²	56.1	52%	0.524	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.6	175.1	-69	-21.8	0	0	0	113.9	K249 A250 W251 F255	K249-N253 VanDerWaalsContact O-CG 3.27Å; K249-N253 PolarHBondContact O-N 3.19Å; K249-N253 PolarHBondContact O-ND2 3.5Å; A250-N253 CarbonylContact O-C 3.51Å; A250-N253 WeakPolarHBondContact O-CA 3.4Å; A250-N253 WeakPolarHBondContact O-CB 3.36Å; A250-N253 PolarHBondContact O-N 3.38Å; W251-N253 PolarHBondContact O-N 3.06Å; N253-F255 HydrophobicContact CB-CD2 3.88Å; N253-F255 HydrophobicContact CB-CE2 3.92Å
254	G	93	Very high	94.1	Very high	36 Å²	36	56.1 Å²	56.1	37%	0.371	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	14.9	177.2	0	0	0	0	0	114.9	A250 W251 C252	A250-G254 PolarHBondContact O-N 3.48Å; W251-G254 PolarHBondContact O-N 2.76Å; C252-G254 VanDerWaalsContact C-N 3.27Å; C252-G254 PolarHBondContact O-N 3.09Å
255	F	95.3	Very high	94.3	Very high	106 Å²	106	56.6 Å²	56.6	47%	0.465	29%	0.291	S	S	.	.			trans	-70.1	145	169.5	-69.2	-101.4	0	0	0	110.1	A250 N253 D260 V261	A250-F255 HydrophobicContact CB-CB 4.24Å; A250-F255 HydrophobicContact CB-CD2 4.2Å; A250-F255 HydrophobicContact CB-CG 4.32Å; A250-F255 WeakPolarHBondContact O-CB 3.32Å; A250-F255 VanDerWaalsContact O-CD2 3.23Å; A250-F255 WeakPolarHBondContact O-CD2 3.48Å; A250-F255 PolarHBondContact O-N 2.82Å; A250-F255 VanDerWaalsContact O-N 3.1Å; N253-F255 HydrophobicContact CB-CD2 3.88Å; N253-F255 HydrophobicContact CB-CE2 3.92Å; F255-D260 HydrophobicContact CB-CB 4.39Å; F255-D260 HydrophobicContact CD1-CB 4.46Å; F255-V261 HydrophobicContact CB-CG1 3.73Å; F255-V261 WeakPolarHBondContact O-CG1 3.24Å
256	T	94.7	Very high	94.5	Very high	93 Å²	93	63.7 Å²	63.7	57%	0.571	32%	0.316	S	S	*	.			trans	-124.4	-17.1	-174.9	54.7	0	0	0	0	113.8	S265	T256-S265 WeakPolarHBondContact O-CB 3.34Å
257	E	95.3	Very high	94.8	Very high	116 Å²	116	59.1 Å²	59.1	54%	0.542	30%	0.297	S	S	.	.			trans	-72	130.2	-176.7	-61.9	-62.9	140.7	0	0	111.1	K259 D260 V261	E257-K259 HydrophobicContact CB-CG 4.07Å; E257-K259 PolarHBondContact O-N 2.98Å; E257-K259 VanDerWaalsContact O-N 3.09Å; E257-D260 PolarHBondContact O-N 2.9Å; E257-V261 WeakPolarHBondContact O-CG2 3.26Å; E257-V261 PolarHBondContact O-N 3.4Å; E257-V261 VanDerWaalsContact O-N 3.12Å
258	E	94.3	Very high	94.8	Very high	126 Å²	126	59.5 Å²	59.5	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-55.1	-32.8	-176.5	-174.6	174.5	-169.4	0	0	113.2	D260 G262	E258-D260 PolarHBondContact O-N 3.18Å; E258-G262 VanDerWaalsContact O-CA 3.24Å; E258-G262 WeakPolarHBondContact O-CA 3.5Å; E258-G262 PolarHBondContact O-N 3.26Å
259	K	94.4	Very high	94.8	Very high	169 Å²	169	62.6 Å²	62.6	74%	0.735	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-29.4	175.4	70	-179.4	-175.5	175.3	0	113.6	E257	E257-K259 HydrophobicContact CB-CG 4.07Å; E257-K259 PolarHBondContact O-N 2.98Å; E257-K259 VanDerWaalsContact O-N 3.09Å
260	D	94.3	Very high	94.9	Very high	60 Å²	60	66 Å²	66	32%	0.321	33%	0.333	S	S	.	.	H	α-helix	trans	-97.5	-34.8	-173.4	-61.6	-45	0	0	0	111.1	F255 E257 E258	F255-D260 HydrophobicContact CB-CB 4.39Å; F255-D260 HydrophobicContact CD1-CB 4.46Å; E257-D260 PolarHBondContact O-N 2.9Å; E258-D260 PolarHBondContact O-N 3.18Å
261	V	95.4	Very high	94.8	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-117.5	-3.1	-172.8	-56.6	0	0	0	0	115	A250 W251 F255 E257 L264	A250-V261 HydrophobicContact CB-CG1 3.89Å; W251-V261 HydrophobicContact CB-CB 4.16Å; W251-V261 HydrophobicContact CB-CG1 3.92Å; F255-V261 HydrophobicContact CB-CG1 3.73Å; F255-V261 WeakPolarHBondContact O-CG1 3.24Å; E257-V261 WeakPolarHBondContact O-CG2 3.26Å; E257-V261 PolarHBondContact O-N 3.4Å; E257-V261 VanDerWaalsContact O-N 3.12Å; V261-L264 HydrophobicContact CB-CB 4.22Å; V261-L264 HydrophobicContact CG2-CB 4.42Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 3.33Å
262	G	94.8	Very high	94.8	Very high	12 Å²	12	74.1 Å²	74.1	12%	0.124	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	60.7	-135.6	-179.7	0	0	0	0	0	112.9	E258 L264 S265	E258-G262 VanDerWaalsContact O-CA 3.24Å; E258-G262 WeakPolarHBondContact O-CA 3.5Å; E258-G262 PolarHBondContact O-N 3.26Å; G262-L264 PolarHBondContact O-N 3.04Å; G262-L264 VanDerWaalsContact O-N 3.14Å; G262-S265 WeakPolarHBondContact O-CB 3.45Å; G262-S265 PolarHBondContact O-N 3.11Å; G262-S265 VanDerWaalsContact O-N 3.15Å; G262-S265 PolarHBondContact O-OG 3.38Å
263	E	97.1	Very high	94.9	Very high	60 Å²	60	73.9 Å²	73.9	28%	0.28	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.2	-21.6	-178.6	-62.1	-165.3	163.2	0	0	113.4	A241 H242 S265 R266	A241-E263 HydrophobicContact CB-CB 4.28Å; H242-E263 IonicContact CG-OE2 3.68Å; H242-E263 PolarHBondContact N-OE2 3.09Å; H242-E263 IonicContact ND1-OE2 2.63Å; H242-E263 PolarHBondContact ND1-OE2 2.86Å; E263-S265 PolarHBondContact O-N 3.08Å; E263-S265 VanDerWaalsContact O-N 3.16Å; E263-R266 WeakPolarHBondContact O-CB 3.32Å; E263-R266 WeakPolarHBondContact O-CG 3.34Å; E263-R266 PolarHBondContact O-N 2.79Å
264	L	96.9	Very high	95.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.6	178.1	-61.7	169	0	0	0	112.9	I219 M221 A241 A243 F248 W251 V261 G262 R266 F267	I219-L264 HydrophobicContact CD1-CD1 4.36Å; I219-L264 HydrophobicContact CD1-CD2 4.3Å; M221-L264 HydrophobicContact CE-CD2 3.93Å; M221-L264 HydrophobicContact SD-CD2 3.79Å; A241-L264 HydrophobicContact CB-CD2 3.71Å; A241-L264 HydrophobicContact CB-CG 4.47Å; A243-L264 HydrophobicContact CB-CD1 3.59Å; A243-L264 HydrophobicContact CB-CG 3.86Å; F248-L264 HydrophobicContact CB-CD1 4.35Å; F248-L264 HydrophobicContact CD2-CD1 3.99Å; W251-L264 HydrophobicContact CB-CB 4.14Å; W251-L264 HydrophobicContact CB-CD1 3.69Å; W251-L264 HydrophobicContact CG-CB 3.82Å; W251-L264 HydrophobicContact CG-CD1 3.98Å; W251-L264 HydrophobicContact CG-CG 4.41Å; W251-L264 PolarHBondContact NE1-O 3.09Å; V261-L264 HydrophobicContact CB-CB 4.22Å; V261-L264 HydrophobicContact CG2-CB 4.42Å; V261-L264 WeakPolarHBondContact O-CB 3.48Å; V261-L264 PolarHBondContact O-N 3.33Å; G262-L264 PolarHBondContact O-N 3.04Å; G262-L264 VanDerWaalsContact O-N 3.14Å; L264-R266 PolarHBondContact O-N 2.83Å; L264-R266 VanDerWaalsContact O-N 3.12Å; L264-F267 PolarHBondContact O-N 3.41Å
265	S	96.7	Very high	95.2	Very high	40 Å²	40	67.6 Å²	67.6	28%	0.28	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.1	-23.4	173.7	56.5	0	0	0	0	113.2	T256 G262 E263 F267	T256-S265 WeakPolarHBondContact O-CB 3.34Å; G262-S265 WeakPolarHBondContact O-CB 3.45Å; G262-S265 PolarHBondContact O-N 3.11Å; G262-S265 VanDerWaalsContact O-N 3.15Å; G262-S265 PolarHBondContact O-OG 3.38Å; E263-S265 PolarHBondContact O-N 3.08Å; E263-S265 VanDerWaalsContact O-N 3.16Å; S265-F267 PolarHBondContact O-N 2.83Å
266	R	96.2	Very high	95.2	Very high	157 Å²	157	62.6 Å²	62.6	59%	0.592	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.7	176.1	-58.9	174.3	-172.8	159.3	6.7	113.3	E263 L264	E263-R266 WeakPolarHBondContact O-CB 3.32Å; E263-R266 WeakPolarHBondContact O-CG 3.34Å; E263-R266 PolarHBondContact O-N 2.79Å; L264-R266 PolarHBondContact O-N 2.83Å; L264-R266 VanDerWaalsContact O-N 3.12Å
267	F	96.8	Very high	95	Very high	23 Å²	23	59.7 Å²	59.7	10%	0.101	28%	0.279	C	S	.	.	S	Bend	trans	-125.1	96.2	-169.8	-58.4	-83.6	0	0	0	110.6	M221 A239 A241 W251 L264 S265 K269 Y272	M221-F267 HydrophobicContact CB-CD1 3.74Å; M221-F267 HydrophobicContact CB-CE1 3.81Å; M221-F267 HydrophobicContact CB-CG 4.18Å; M221-F267 HydrophobicContact CB-CZ 4.31Å; M221-F267 HydrophobicContact CE-CB 3.47Å; M221-F267 VanDerWaalsContact CE-CB 3.47Å; M221-F267 HydrophobicContact CE-CD1 4.41Å; M221-F267 HydrophobicContact CE-CD2 4.24Å; M221-F267 HydrophobicContact CE-CG 3.81Å; M221-F267 HydrophobicContact CG-CD1 3.99Å; M221-F267 HydrophobicContact CG-CD2 4.01Å; M221-F267 HydrophobicContact CG-CE1 4.07Å; M221-F267 HydrophobicContact CG-CE2 4.1Å; M221-F267 HydrophobicContact CG-CG 3.96Å; M221-F267 HydrophobicContact CG-CZ 4.11Å; A239-F267 HydrophobicContact CB-CE1 3.62Å; A239-F267 HydrophobicContact CB-CZ 3.98Å; A241-F267 HydrophobicContact CB-CD2 4.15Å; A241-F267 HydrophobicContact CB-CE2 3.77Å; W251-F267 PolarHBondContact NE1-O 2.64Å; L264-F267 PolarHBondContact O-N 3.41Å; S265-F267 PolarHBondContact O-N 2.83Å; F267-K269 PolarHBondContact O-N 2.62Å; F267-Y272 HydrophobicContact CB-CD2 4.07Å; F267-Y272 HydrophobicContact CB-CG 4.15Å; F267-Y272 AromaticContact CD1-CD1 3.95Å; F267-Y272 HydrophobicContact CD1-CD1 3.95Å; F267-Y272 HydrophobicContact CD1-CD2 4.3Å; F267-Y272 AromaticContact CD1-CE1 3.89Å; F267-Y272 HydrophobicContact CD1-CE1 3.89Å; F267-Y272 HydrophobicContact CD1-CE2 4.25Å; F267-Y272 HydrophobicContact CD1-CG 4.16Å; F267-Y272 HydrophobicContact CE1-CE1 4.42Å
268	P	94.9	Very high	94.7	Very high	55 Å²	55	57.8 Å²	57.8	36%	0.357	27%	0.268	S	S	.	.			trans	-59.8	127.8	177.6	-24.6	34.4	0	0	0	112.1	E270 K271 Y272	P268-E270 PolarHBondContact O-N 3.15Å; P268-E270 VanDerWaalsContact O-N 3.15Å; P268-K271 PolarHBondContact O-N 2.79Å; P268-Y272 PolarHBondContact O-N 2.93Å
269	K	94.1	Very high	94.6	Very high	67 Å²	67	52.8 Å²	52.8	29%	0.291	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.9	-176.6	-176.5	-168.7	171.6	-169.6	0	113.1	R224 W251 C252 F267 K271	R224-K269 PolarHBondContact NE-O 2.97Å; W251-K269 HydrophobicContact CH2-CB 4.28Å; W251-K269 HydrophobicContact CH2-CG 4.1Å; W251-K269 VanDerWaalsContact CZ2-CA 3.47Å; W251-K269 HydrophobicContact CZ2-CB 3.9Å; W251-K269 HydrophobicContact CZ2-CG 4.23Å; W251-K269 HydrophobicContact CZ3-CG 4.3Å; C252-K269 VanDerWaalsContact O-CE 3.32Å; C252-K269 WeakPolarHBondContact O-CE 3.5Å; C252-K269 PolarHBondContact O-NZ 3.18Å; F267-K269 PolarHBondContact O-N 2.62Å; K269-K271 PolarHBondContact O-N 3.09Å
270	E	92.7	Very high	94.4	Very high	137 Å²	137	45.8 Å²	45.8	64%	0.64	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.5	-179.8	-56.7	71.5	-155.8	0	0	112	R224 P268	R224-E270 WeakPolarHBondContact CD-O 3.26Å; P268-E270 PolarHBondContact O-N 3.15Å; P268-E270 VanDerWaalsContact O-N 3.15Å
271	K	92.9	Very high	94.3	Very high	137 Å²	137	42.9 Å²	42.9	60%	0.596	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-29	-178.8	-66.7	-172.2	178	-175.3	0	113	L223 R224 P268 K269	L223-K271 CarbonylContact C-O 3.48Å; L223-K271 WeakPolarHBondContact CA-O 3.5Å; R224-K271 PolarHBondContact N-O 3.08Å; P268-K271 PolarHBondContact O-N 2.79Å; K269-K271 PolarHBondContact O-N 3.09Å
272	Y	94.8	Very high	94	Very high	55 Å²	55	45.2 Å²	45.2	22%	0.216	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140	-173.8	-68.2	-93.6	0	0	0	112.1	M221 G222 L223 R224 W251 F267 P268	M221-Y272 HydrophobicContact CB-CD1 4.26Å; G222-Y272 CarbonylContact O-C 3.48Å; G222-Y272 WeakPolarHBondContact O-CA 3.44Å; G222-Y272 WeakPolarHBondContact O-CD1 3.2Å; L223-Y272 HydrophobicContact CD2-CD1 4.02Å; L223-Y272 HydrophobicContact CD2-CD2 4.34Å; L223-Y272 HydrophobicContact CD2-CE1 3.5Å; L223-Y272 HydrophobicContact CD2-CE2 3.85Å; L223-Y272 HydrophobicContact CD2-CG 4.41Å; L223-Y272 VanDerWaalsContact CD2-CZ 3.4Å; L223-Y272 HydrophobicContact CG-CD1 4.4Å; L223-Y272 HydrophobicContact CG-CE1 3.87Å; R224-Y272 PolarHBondContact NE-O 3.07Å; R224-Y272 VanDerWaalsContact NE-O 3.08Å; R224-Y272 PolarHBondContact NH2-O 3.31Å; W251-Y272 WeakPolarHBondContact CH2-O 3.47Å; F267-Y272 HydrophobicContact CB-CD2 4.07Å; F267-Y272 HydrophobicContact CB-CG 4.15Å; F267-Y272 AromaticContact CD1-CD1 3.95Å; F267-Y272 HydrophobicContact CD1-CD1 3.95Å; F267-Y272 HydrophobicContact CD1-CD2 4.3Å; F267-Y272 AromaticContact CD1-CE1 3.89Å; F267-Y272 HydrophobicContact CD1-CE1 3.89Å; F267-Y272 HydrophobicContact CD1-CE2 4.25Å; F267-Y272 HydrophobicContact CD1-CG 4.16Å; F267-Y272 HydrophobicContact CE1-CE1 4.42Å; P268-Y272 PolarHBondContact O-N 2.93Å
273	W	95.3	Very high	93.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	156.6	155.4	55.3	-102.2	0	0	0	108.7	R220 G222 L223 R224 L233 T313 F317	R220-W273 HydrophobicContact CB-CZ3 4.27Å; G222-W273 VanDerWaalsContact CA-CE2 3.42Å; G222-W273 PolarHBondContact N-O 3.04Å; G222-W273 VanDerWaalsContact N-O 3.14Å; G222-W273 VanDerWaalsContact O-CD1 3.28Å; G222-W273 PolarHBondContact O-N 3.32Å; G222-W273 PolarHBondContact O-NE1 3.19Å; L223-W273 PolarHBondContact O-NE1 2.88Å; R224-W273 HydrophobicContact CG-CB 4.45Å; L233-W273 HydrophobicContact CD2-CZ2 3.95Å; W273-T313 WeakPolarHBondContact CA-OG1 3.44Å; W273-F317 AromaticContact CZ2-CD1 3.89Å; W273-F317 HydrophobicContact CZ2-CD1 3.89Å; W273-F317 AromaticContact CZ2-CE1 3.55Å; W273-F317 HydrophobicContact CZ2-CE1 3.55Å; W273-F317 HydrophobicContact CZ2-CZ 4.19Å
274	A	96.5	Very high	93.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.5	176.6	0	0	0	0	0	110.7	I219 R220 M221 F248 W251 G312 T313	I219-A274 HydrophobicContact CG2-CB 3.89Å; R220-A274 CarbonylContact O-C 3.48Å; R220-A274 VanDerWaalsContact O-CA 3.26Å; R220-A274 WeakPolarHBondContact O-CA 3.41Å; M221-A274 HydrophobicContact CE-CB 3.85Å; M221-A274 HydrophobicContact SD-CB 3.59Å; M221-A274 VanDerWaalsContact SD-CB 3.59Å; F248-A274 HydrophobicContact CE2-CB 3.59Å; F248-A274 HydrophobicContact CZ-CB 4.15Å; W251-A274 HydrophobicContact CE3-CB 4.34Å; W251-A274 HydrophobicContact CH2-CB 3.76Å; W251-A274 HydrophobicContact CZ3-CB 3.56Å; A274-G312 WeakPolarHBondContact O-CA 3.37Å; A274-T313 HydrophobicContact CB-CG2 4.45Å; A274-T313 PolarHBondContact N-OG1 3.06Å; A274-T313 PolarHBondContact O-N 3.37Å; A274-T313 PolarHBondContact O-OG1 3.2Å
275	Y	96.3	Very high	93	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	121	179.1	-156.2	-180	0	0	0	111	R220 D277 W310 M311 G312 T318 K337	R220-Y275 PolarHBondContact N-O 3.33Å; R220-Y275 PolarHBondContact O-N 3.25Å; Y275-D277 HydrophobicContact CD2-CB 4.48Å; Y275-W310 HydrophobicContact CE2-CB 4.27Å; Y275-W310 HydrophobicContact CE2-CE3 4.27Å; Y275-W310 AromaticContact CZ-CE3 3.96Å; Y275-M311 WeakPolarHBondContact CD2-O 3.09Å; Y275-G312 VanDerWaalsContact CD2-CA 3.46Å; Y275-T318 WeakPolarHBondContact CE1-OG1 3.24Å; Y275-K337 PolarHBondContact OH-NZ 3.47Å
276	V	94.9	Very high	92.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.9	164	-179.2	0	0	0	0	107	F217 I219 E279 W310 M311	F217-V276 HydrophobicContact CB-CG1 4.05Å; F217-V276 HydrophobicContact CB-CG2 4.23Å; F217-V276 HydrophobicContact CD1-CG1 3.71Å; F217-V276 HydrophobicContact CE1-CG1 4.29Å; F217-V276 HydrophobicContact CG-CG1 3.85Å; F217-V276 HydrophobicContact CG-CG2 4.37Å; I219-V276 HydrophobicContact CD1-CG2 4.17Å; I219-V276 HydrophobicContact CG1-CG2 4.04Å; I219-V276 HydrophobicContact CG2-CG2 4.26Å; V276-E279 HydrophobicContact CG1-CG 3.53Å; V276-W310 WeakPolarHBondContact O-CA 3.18Å; V276-M311 HydrophobicContact CB-CB 4.25Å; V276-M311 HydrophobicContact CB-CE 4.4Å; V276-M311 WeakPolarHBondContact CB-O 3.41Å; V276-M311 HydrophobicContact CG2-CE 3.87Å; V276-M311 PolarHBondContact N-O 3.14Å; V276-M311 PolarHBondContact O-N 3.11Å
277	D	90.8	Very high	92.1	Very high	32 Å²	32	44.3 Å²	44.3	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149	-174.6	52.6	-18.6	0	0	0	113.6	R220 Y275 E279 W310	R220-D277 IonicContact CZ-OD2 2.85Å; R220-D277 IonicContact NE-OD1 3.77Å; R220-D277 IonicContact NE-OD2 3.93Å; R220-D277 PolarHBondContact NE-OD2 3.18Å; R220-D277 IonicContact NH2-OD2 2.86Å; R220-D277 PolarHBondContact NH2-OD2 3.23Å; Y275-D277 HydrophobicContact CD2-CB 4.48Å; D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.34Å; D277-W310 HydrophobicContact CB-CE3 3.42Å; D277-W310 VanDerWaalsContact CB-CE3 3.42Å; D277-W310 HydrophobicContact CB-CH2 4.45Å; D277-W310 HydrophobicContact CB-CZ3 3.38Å
278	Y	88.4	Confident	91.8	Very high	76 Å²	76	46.7 Å²	46.7	30%	0.298	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.9	35.2	172.9	-154.6	-97.5	0	0	0	114.8	Y280 W310 W413	Y278-Y280 AromaticContact CD1-CE2 3.89Å; Y278-Y280 HydrophobicContact CD1-CE2 3.89Å; Y278-Y280 HydrophobicContact CE1-CD2 4.49Å; Y278-Y280 AromaticContact CE1-CE2 3.43Å; Y278-Y280 HydrophobicContact CE1-CE2 3.43Å; Y278-Y280 VanDerWaalsContact CE1-CE2 3.43Å; Y278-Y280 AromaticContact CE1-CZ 3.67Å; Y278-Y280 WeakPolarHBondContact CE1-OH 3.44Å; Y278-Y280 PolarHBondContact O-N 2.77Å; Y278-Y280 PolarHBondContact OH-OH 3.2Å; Y278-W310 AromaticContact CD2-CH2 3.83Å; Y278-W310 HydrophobicContact CD2-CH2 3.83Å; Y278-W310 AromaticContact CD2-CZ2 3.76Å; Y278-W310 HydrophobicContact CD2-CZ2 3.76Å; Y278-W310 HydrophobicContact CG-CH2 4.41Å; Y278-W310 HydrophobicContact CG-CZ2 4.47Å; Y278-W413 AromaticContact CD2-CH2 3.65Å; Y278-W413 HydrophobicContact CD2-CH2 3.65Å; Y278-W413 HydrophobicContact CD2-CZ2 4.31Å; Y278-W413 HydrophobicContact CD2-CZ3 4.44Å; Y278-W413 AromaticContact CE2-CH2 3.26Å; Y278-W413 HydrophobicContact CE2-CH2 3.26Å; Y278-W413 AromaticContact CE2-CZ2 3.83Å; Y278-W413 HydrophobicContact CE2-CZ2 3.83Å; Y278-W413 AromaticContact CE2-CZ3 3.84Å; Y278-W413 HydrophobicContact CE2-CZ3 3.84Å
279	E	91.5	Very high	91.6	Very high	21 Å²	21	46.2 Å²	46.2	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.9	179.6	-69.2	-66.2	179.7	0	0	110.8	F217 V276 D277 M281 T308 F309	F217-E279 HydrophobicContact CD1-CG 3.69Å; F217-E279 HydrophobicContact CE1-CB 4.46Å; F217-E279 HydrophobicContact CE1-CG 4.03Å; V276-E279 HydrophobicContact CG1-CG 3.53Å; D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.34Å; E279-M281 PolarHBondContact O-N 3.31Å; E279-T308 CarbonylContact O-C 3.56Å; E279-T308 VanDerWaalsContact O-CA 3.25Å; E279-T308 WeakPolarHBondContact O-CA 3.48Å; E279-F309 HydrophobicContact CB-CB 4.45Å; E279-F309 HydrophobicContact CB-CD1 4.5Å; E279-F309 PolarHBondContact N-O 3.29Å; E279-F309 PolarHBondContact O-N 2.74Å
280	Y	91	Very high	91.5	Very high	22 Å²	22	43.4 Å²	43.4	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	119.1	177.2	-72.6	-94.2	0	0	0	109.5	K132 H133 Y278 F282 D283 C284 T308	K132-Y280 HydrophobicContact CB-CD1 4.35Å; K132-Y280 HydrophobicContact CB-CE1 4.11Å; K132-Y280 HydrophobicContact CB-CE2 4.49Å; K132-Y280 HydrophobicContact CD-CD1 4.48Å; K132-Y280 HydrophobicContact CD-CD2 3.56Å; K132-Y280 HydrophobicContact CD-CE2 3.66Å; K132-Y280 HydrophobicContact CD-CG 3.96Å; K132-Y280 HydrophobicContact CG-CE2 4.26Å; H133-Y280 AromaticContact NE2-CE1 3.97Å; Y278-Y280 AromaticContact CD1-CE2 3.89Å; Y278-Y280 HydrophobicContact CD1-CE2 3.89Å; Y278-Y280 HydrophobicContact CE1-CD2 4.49Å; Y278-Y280 AromaticContact CE1-CE2 3.43Å; Y278-Y280 HydrophobicContact CE1-CE2 3.43Å; Y278-Y280 VanDerWaalsContact CE1-CE2 3.43Å; Y278-Y280 AromaticContact CE1-CZ 3.67Å; Y278-Y280 WeakPolarHBondContact CE1-OH 3.44Å; Y278-Y280 PolarHBondContact O-N 2.77Å; Y278-Y280 PolarHBondContact OH-OH 3.2Å; Y280-F282 PolarHBondContact O-N 2.76Å; Y280-D283 WeakPolarHBondContact O-CB 3.45Å; Y280-D283 PolarHBondContact O-N 2.92Å; Y280-C284 PolarHBondContact O-N 2.8Å; Y280-C284 PolarHBondContact O-SG 3.15Å; Y280-T308 HydrophobicContact CD1-CG2 3.95Å; Y280-T308 HydrophobicContact CD2-CG2 4.41Å; Y280-T308 HydrophobicContact CE1-CG2 4.07Å; Y280-T308 HydrophobicContact CG-CG2 4.16Å
281	M	92.1	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-35.3	-175.9	-73.9	178.9	60.1	0	0	112.1	W203 E279 D283 C284 F285 L290 V293 G304 S307 F309 V410	W203-M281 HydrophobicContact CH2-CE 3.63Å; W203-M281 HydrophobicContact CZ3-CE 4.12Å; E279-M281 PolarHBondContact O-N 3.31Å; M281-D283 PolarHBondContact O-N 3.36Å; M281-C284 PolarHBondContact O-N 3.5Å; M281-F285 HydrophobicContact CB-CD2 3.92Å; M281-F285 HydrophobicContact CB-CE2 4.42Å; M281-F285 HydrophobicContact CB-CG 4.49Å; M281-F285 HydrophobicContact CE-CD1 4.44Å; M281-F285 HydrophobicContact CE-CG 4.43Å; M281-F285 HydrophobicContact CG-CD2 3.92Å; M281-F285 HydrophobicContact CG-CE2 3.91Å; M281-F285 WeakPolarHBondContact O-CB 3.28Å; M281-F285 PolarHBondContact O-N 3.24Å; M281-L290 HydrophobicContact CB-CD2 3.87Å; M281-L290 HydrophobicContact CE-CD2 4.33Å; M281-V293 HydrophobicContact CE-CG2 3.91Å; M281-V293 HydrophobicContact SD-CG2 4.31Å; M281-G304 VanDerWaalsContact CB-O 3.24Å; M281-G304 WeakPolarHBondContact CB-O 3.27Å; M281-S307 PolarHBondContact N-O 2.99Å; M281-F309 HydrophobicContact CG-CB 3.7Å; M281-V410 HydrophobicContact SD-CB 4.38Å; M281-V410 HydrophobicContact SD-CG1 3.73Å
282	F	89.8	Confident	91.6	Very high	49 Å²	49	37.7 Å²	37.7	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-28.9	174.5	-179.8	-96.1	0	0	0	113.9	Y280 H287 L290 R305	Y280-F282 PolarHBondContact O-N 2.76Å; F282-H287 AromaticContact CE2-CE1 3.58Å; F282-L290 HydrophobicContact CD2-CD1 4.12Å; F282-R305 HydrophobicContact CB-CG 4.48Å; F282-R305 WeakPolarHBondContact CB-O 3.46Å; F282-R305 HydrophobicContact CD2-CG 3.82Å; F282-R305 HydrophobicContact CG-CG 4.44Å
283	D	87.3	Confident	91.6	Very high	66 Å²	66	35 Å²	35	35%	0.353	17%	0.174	S	C	.	.	H	α-helix	trans	-84.8	-31.2	-179.5	-70.3	-18.4	0	0	0	112.2	K132 Y215 Y280 M281	K132-D283 WeakPolarHBondContact CD-OD2 3.26Å; K132-D283 IonicContact NZ-OD2 2.56Å; K132-D283 PolarHBondContact NZ-OD2 3.47Å; Y215-D283 HydrophobicContact CE2-CB 4.42Å; Y215-D283 WeakPolarHBondContact CE2-O 3.38Å; Y280-D283 WeakPolarHBondContact O-CB 3.45Å; Y280-D283 PolarHBondContact O-N 2.92Å; M281-D283 PolarHBondContact O-N 3.36Å
284	C	88.8	Confident	91.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-115.9	-17.9	-168.1	61.3	0	0	0	0	116	L212 Y215 F217 Y280 M281	L212-C284 HydrophobicContact CD2-CB 4.3Å; L212-C284 WeakPolarHBondContact CD2-O 3.5Å; Y215-C284 HydrophobicContact CD1-CB 3.57Å; Y215-C284 HydrophobicContact CD2-CB 3.6Å; Y215-C284 HydrophobicContact CE1-CB 3.8Å; Y215-C284 HydrophobicContact CE2-CB 3.81Å; Y215-C284 HydrophobicContact CG-CB 3.47Å; Y215-C284 VanDerWaalsContact CG-CB 3.47Å; F217-C284 HydrophobicContact CE1-CB 4.04Å; Y280-C284 PolarHBondContact O-N 2.8Å; Y280-C284 PolarHBondContact O-SG 3.15Å; M281-C284 PolarHBondContact O-N 3.5Å
285	F	90.3	Very high	91.3	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.022	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-98.8	148.1	178.6	-75	-110.4	0	0	0	111.9	W203 L211 L212 M281 H287 H289 L290 F309	W203-F285 HydrophobicContact CE3-CE1 4.44Å; W203-F285 HydrophobicContact CH2-CD1 4.19Å; W203-F285 AromaticContact CH2-CE1 3.68Å; W203-F285 HydrophobicContact CH2-CE1 3.68Å; W203-F285 HydrophobicContact CH2-CZ 4.38Å; W203-F285 HydrophobicContact CZ2-CE1 4.16Å; W203-F285 AromaticContact CZ3-CE1 3.83Å; W203-F285 HydrophobicContact CZ3-CE1 3.83Å; W203-F285 HydrophobicContact CZ3-CZ 4.15Å; L211-F285 HydrophobicContact CB-CD1 4.03Å; L211-F285 HydrophobicContact CB-CE1 3.96Å; L211-F285 HydrophobicContact CD1-CE1 4.1Å; L212-F285 HydrophobicContact CD2-CD1 4.09Å; L212-F285 HydrophobicContact CD2-CD2 3.57Å; L212-F285 HydrophobicContact CD2-CE1 4.07Å; L212-F285 HydrophobicContact CD2-CE2 3.53Å; L212-F285 HydrophobicContact CD2-CG 3.84Å; L212-F285 HydrophobicContact CD2-CZ 3.79Å; M281-F285 HydrophobicContact CB-CD2 3.92Å; M281-F285 HydrophobicContact CB-CE2 4.42Å; M281-F285 HydrophobicContact CB-CG 4.49Å; M281-F285 HydrophobicContact CE-CD1 4.44Å; M281-F285 HydrophobicContact CE-CG 4.43Å; M281-F285 HydrophobicContact CG-CD2 3.92Å; M281-F285 HydrophobicContact CG-CE2 3.91Å; M281-F285 WeakPolarHBondContact O-CB 3.28Å; M281-F285 PolarHBondContact O-N 3.24Å; F285-H287 PolarHBondContact O-N 2.95Å; F285-H289 HydrophobicContact CD1-CB 4.13Å; F285-L290 HydrophobicContact CB-CD2 4.14Å; F285-F309 HydrophobicContact CE2-CB 3.9Å; F285-F309 HydrophobicContact CE2-CD1 4.14Å; F285-F309 AromaticContact CE2-CD2 3.92Å; F285-F309 HydrophobicContact CE2-CD2 3.92Å; F285-F309 HydrophobicContact CE2-CE2 4.46Å; F285-F309 AromaticContact CE2-CG 3.72Å; F285-F309 HydrophobicContact CE2-CG 3.72Å; F285-F309 HydrophobicContact CZ-CB 4.39Å; F285-F309 HydrophobicContact CZ-CD1 4.33Å; F285-F309 AromaticContact CZ-CD2 3.54Å; F285-F309 HydrophobicContact CZ-CD2 3.54Å; F285-F309 AromaticContact CZ-CE2 3.75Å; F285-F309 HydrophobicContact CZ-CE2 3.75Å; F285-F309 AromaticContact CZ-CG 3.84Å; F285-F309 HydrophobicContact CZ-CG 3.84Å; F285-F309 HydrophobicContact CZ-CZ 4.25Å
286	D	88.7	Confident	91	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	21%	0.207	S	C	.	.			trans	-56.8	134.6	163	-178.6	-42.4	0	0	0	108.6	L211 E213 S288 H289	L211-D286 PolarHBondContact O-N 2.88Å; E213-D286 HydrophobicContact CG-CB 4.43Å; D286-S288 VanDerWaalsContact CG-OG 3.24Å; D286-S288 PolarHBondContact O-N 3.07Å; D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-N 3.08Å; D286-S288 PolarHBondContact OD1-OG 2.98Å; D286-H289 PolarHBondContact O-N 2.56Å
287	H	86.4	Confident	90.3	Very high	114 Å²	114	43.8 Å²	43.8	53%	0.528	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-52.5	-30.6	-178.7	-70.4	-38.8	0	0	0	113.9	F282 F285 H289 L290	F282-H287 AromaticContact CE2-CE1 3.58Å; F285-H287 PolarHBondContact O-N 2.95Å; H287-H289 PolarHBondContact O-N 2.78Å; H287-L290 PolarHBondContact O-N 3.29Å
288	S	89.3	Confident	89.9	Confident	73 Å²	73	42.3 Å²	42.3	51%	0.51	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-63.3	-26.4	176.7	59.3	0	0	0	0	113.8	D286	D286-S288 VanDerWaalsContact CG-OG 3.24Å; D286-S288 PolarHBondContact O-N 3.07Å; D286-S288 WeakPolarHBondContact OD1-CB 3.3Å; D286-S288 PolarHBondContact OD1-N 3.08Å; D286-S288 PolarHBondContact OD1-OG 2.98Å
289	H	92.6	Very high	89.6	Confident	44 Å²	44	41 Å²	41	20%	0.204	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-89	-6.6	179	-70.6	-56.7	0	0	0	113.9	W203 F285 D286 H287 E291 D292	W203-H289 HydrophobicContact CZ2-CB 4.43Å; F285-H289 HydrophobicContact CD1-CB 4.13Å; D286-H289 PolarHBondContact O-N 2.56Å; H287-H289 PolarHBondContact O-N 2.78Å; H289-E291 PolarHBondContact O-N 2.84Å; H289-D292 IonicContact CE1-OD2 3.51Å; H289-D292 IonicContact CG-OD2 3.73Å; H289-D292 IonicContact ND1-OD2 2.99Å; H289-D292 PolarHBondContact ND1-OD2 2.85Å; H289-D292 VanDerWaalsContact O-CB 3.29Å; H289-D292 WeakPolarHBondContact O-CB 3.4Å; H289-D292 PolarHBondContact O-N 3.3Å
290	L	92	Very high	89.3	Confident	9 Å²	9	40.1 Å²	40.1	5%	0.047	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-67	-29.9	176	-60	-179.5	0	0	0	111.8	M281 F282 F285 H287 D292 G304 R305	M281-L290 HydrophobicContact CB-CD2 3.87Å; M281-L290 HydrophobicContact CE-CD2 4.33Å; F282-L290 HydrophobicContact CD2-CD1 4.12Å; F285-L290 HydrophobicContact CB-CD2 4.14Å; H287-L290 PolarHBondContact O-N 3.29Å; L290-D292 PolarHBondContact O-N 3.23Å; L290-G304 VanDerWaalsContact O-CA 3.23Å; L290-G304 WeakPolarHBondContact O-CA 3.49Å; L290-G304 PolarHBondContact O-N 2.89Å; L290-R305 HydrophobicContact CD1-CB 4.14Å; L290-R305 HydrophobicContact CD1-CG 4.47Å
291	E	92.8	Very high	88.9	Confident	127 Å²	127	42.8 Å²	42.8	59%	0.593	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-78.2	-6.3	176.4	-57.5	-60.8	162	0	0	113.1	H289 V293 N303	H289-E291 PolarHBondContact O-N 2.84Å; E291-V293 PolarHBondContact O-N 3.47Å; E291-N303 PolarHBondContact OE1-ND2 3.18Å; E291-N303 PolarHBondContact OE2-ND2 2.88Å
292	D	94.8	Very high	88.7	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.139	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-69.9	-18.1	175.7	-71.4	-16.1	0	0	0	112.1	Q199 A200 W203 H289 L290	Q199-D292 HydrophobicContact CB-CB 3.86Å; Q199-D292 VanDerWaalsContact CB-OD1 3.25Å; Q199-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q199-D292 PolarHBondContact N-O 2.78Å; A200-D292 HydrophobicContact CB-CB 4.06Å; A200-D292 VanDerWaalsContact CB-O 3.27Å; A200-D292 WeakPolarHBondContact CB-O 3.14Å; A200-D292 PolarHBondContact N-O 3.36Å; W203-D292 HydrophobicContact CH2-CB 4.32Å; W203-D292 HydrophobicContact CZ2-CB 3.54Å; W203-D292 WeakPolarHBondContact CZ2-OD2 3.35Å; W203-D292 PolarHBondContact NE1-OD2 3.39Å; H289-D292 IonicContact CE1-OD2 3.51Å; H289-D292 IonicContact CG-OD2 3.73Å; H289-D292 IonicContact ND1-OD2 2.99Å; H289-D292 PolarHBondContact ND1-OD2 2.85Å; H289-D292 VanDerWaalsContact O-CB 3.29Å; H289-D292 WeakPolarHBondContact O-CB 3.4Å; H289-D292 PolarHBondContact O-N 3.3Å; L290-D292 PolarHBondContact O-N 3.23Å
293	V	95.1	Very high	88.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-110.1	117.3	175.7	173.1	0	0	0	0	108.1	W198 A200 W203 M281 E291 W295 N303 G304 V410	W198-V293 HydrophobicContact CE3-CG1 4.33Å; W198-V293 HydrophobicContact CH2-CG1 3.9Å; W198-V293 HydrophobicContact CZ3-CB 4.34Å; W198-V293 HydrophobicContact CZ3-CG1 3.69Å; W198-V293 HydrophobicContact CZ3-CG2 4.47Å; A200-V293 HydrophobicContact CB-CG2 3.82Å; W203-V293 HydrophobicContact CH2-CG2 4.07Å; W203-V293 HydrophobicContact CZ3-CG2 4.34Å; M281-V293 HydrophobicContact CE-CG2 3.91Å; M281-V293 HydrophobicContact SD-CG2 4.31Å; E291-V293 PolarHBondContact O-N 3.47Å; V293-W295 HydrophobicContact CG1-CZ2 4.31Å; V293-N303 VanDerWaalsContact O-CA 3.23Å; V293-N303 WeakPolarHBondContact O-CA 3.14Å; V293-N303 WeakPolarHBondContact O-CB 3.43Å; V293-G304 PolarHBondContact O-N 3.3Å; V293-V410 HydrophobicContact CG1-CG2 4.13Å; V293-V410 HydrophobicContact CG2-CG1 4.37Å; V293-V410 HydrophobicContact CG2-CG2 4.06Å
294	D	93.6	Very high	88.8	Confident	54 Å²	54	41 Å²	41	29%	0.289	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-127.8	94.9	-174	177.3	23.5	0	0	0	112.1	W198 N296 I297	W198-D294 VanDerWaalsContact CZ2-C 3.43Å; W198-D294 WeakPolarHBondContact CZ2-O 3.17Å; W198-D294 PolarHBondContact NE1-O 3.11Å; D294-N296 PolarHBondContact O-N 2.94Å; D294-N296 WeakPolarHBondContact OD1-CB 3.17Å; D294-N296 PolarHBondContact OD1-N 3.32Å; D294-N296 PolarHBondContact OD1-ND2 3.16Å; D294-I297 WeakPolarHBondContact O-CG2 3.23Å
295	W	92	Very high	88.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.6	-6.5	178.1	-56.7	105	0	0	0	113.3	W198 V293 I297 F298 L300 Y302 S307 V329 A331 I390 V410 S412	W198-W295 AromaticContact CH2-CD2 3.76Å; W198-W295 HydrophobicContact CH2-CD2 3.76Å; W198-W295 AromaticContact CH2-CE2 3.88Å; W198-W295 AromaticContact CH2-CE3 3.69Å; W198-W295 HydrophobicContact CH2-CE3 3.69Å; W198-W295 HydrophobicContact CH2-CG 4.49Å; W198-W295 AromaticContact CH2-CH2 3.91Å; W198-W295 HydrophobicContact CH2-CH2 3.91Å; W198-W295 AromaticContact CH2-CZ2 3.98Å; W198-W295 HydrophobicContact CH2-CZ2 3.98Å; W198-W295 AromaticContact CH2-CZ3 3.76Å; W198-W295 HydrophobicContact CH2-CZ3 3.76Å; W198-W295 HydrophobicContact CZ2-CD2 4.26Å; W198-W295 HydrophobicContact CZ2-CE3 4.11Å; W198-W295 HydrophobicContact CZ2-CZ3 4.48Å; W198-W295 HydrophobicContact CZ3-CZ2 4.46Å; V293-W295 HydrophobicContact CG1-CZ2 4.31Å; W295-I297 PolarHBondContact O-N 2.84Å; W295-I297 VanDerWaalsContact O-N 3.16Å; W295-F298 AromaticContact CE3-CD2 3.86Å; W295-F298 HydrophobicContact CE3-CD2 3.86Å; W295-F298 HydrophobicContact CE3-CE2 4.07Å; W295-F298 HydrophobicContact CZ3-CE2 4.46Å; W295-F298 WeakPolarHBondContact O-CA 3.36Å; W295-F298 WeakPolarHBondContact O-CB 3.38Å; W295-F298 PolarHBondContact O-N 3.32Å; W295-L300 CarbonylContact C-O 3.56Å; W295-L300 HydrophobicContact CB-CB 4.07Å; W295-Y302 VanDerWaalsContact CB-O 3.3Å; W295-Y302 WeakPolarHBondContact CB-O 3.29Å; W295-Y302 PolarHBondContact N-O 3.31Å; W295-Y302 VanDerWaalsContact N-O 3.09Å; W295-S307 PolarHBondContact NE1-OG 2.79Å; W295-V329 HydrophobicContact CD2-CG2 4.39Å; W295-V329 HydrophobicContact CE3-CB 4.5Å; W295-V329 HydrophobicContact CE3-CG2 3.83Å; W295-V329 HydrophobicContact CH2-CB 4.42Å; W295-V329 HydrophobicContact CH2-CG2 4.03Å; W295-V329 VanDerWaalsContact CH2-O 3.32Å; W295-V329 WeakPolarHBondContact CH2-O 3.3Å; W295-V329 HydrophobicContact CZ3-CB 3.96Å; W295-V329 HydrophobicContact CZ3-CG2 3.64Å; W295-A331 HydrophobicContact CH2-CB 3.58Å; W295-A331 HydrophobicContact CZ2-CB 4.33Å; W295-A331 HydrophobicContact CZ3-CB 4.16Å; W295-I390 HydrophobicContact CZ3-CD1 4.23Å; W295-V410 HydrophobicContact CZ2-CG2 4.15Å; W295-S412 PolarHBondContact NE1-OG 3.46Å
296	N	87.9	Confident	88.8	Confident	84 Å²	84	46.9 Å²	46.9	45%	0.449	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.8	-25.9	-179.3	-67	-63.5	0	0	0	112.8	D294 F298 S299 L300 P301	D294-N296 PolarHBondContact O-N 2.94Å; D294-N296 WeakPolarHBondContact OD1-CB 3.17Å; D294-N296 PolarHBondContact OD1-N 3.32Å; D294-N296 PolarHBondContact OD1-ND2 3.16Å; N296-F298 PolarHBondContact O-N 2.91Å; N296-S299 PolarHBondContact O-N 3.28Å; N296-L300 VanDerWaalsContact CA-O 3.3Å; N296-L300 WeakPolarHBondContact CA-O 3.2Å; N296-L300 PolarHBondContact N-O 3.15Å; N296-L300 PolarHBondContact OD1-O 2.74Å; N296-P301 WeakPolarHBondContact OD1-CA 3.23Å
297	I	81.1	Confident	89	Confident	52 Å²	52	44 Å²	44	27%	0.267	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-54.3	-27.3	172.2	-169.4	175.1	0	0	0	111.5	D294 W295 R483	D294-I297 WeakPolarHBondContact O-CG2 3.23Å; W295-I297 PolarHBondContact O-N 2.84Å; W295-I297 VanDerWaalsContact O-N 3.16Å; I297-R483 PolarHBondContact O-NH1 2.99Å; I297-R483 VanDerWaalsContact O-NH1 3.16Å
298	F	82.7	Confident	89.4	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-96.7	13.6	176.7	-51.1	-66.8	0	0	0	114.8	L191 M194 I195 W198 W295 N296 L300 I390 F480 F484	L191-F298 HydrophobicContact CD1-CD1 4.19Å; L191-F298 HydrophobicContact CD1-CE1 3.95Å; M194-F298 HydrophobicContact CB-CE1 4.06Å; M194-F298 HydrophobicContact CB-CZ 3.87Å; M194-F298 HydrophobicContact CG-CE1 4.24Å; I195-F298 HydrophobicContact CG2-CE2 4.42Å; I195-F298 HydrophobicContact CG2-CZ 4.34Å; W198-F298 HydrophobicContact CZ2-CE2 4Å; W295-F298 AromaticContact CE3-CD2 3.86Å; W295-F298 HydrophobicContact CE3-CD2 3.86Å; W295-F298 HydrophobicContact CE3-CE2 4.07Å; W295-F298 HydrophobicContact CZ3-CE2 4.46Å; W295-F298 WeakPolarHBondContact O-CA 3.36Å; W295-F298 WeakPolarHBondContact O-CB 3.38Å; W295-F298 PolarHBondContact O-N 3.32Å; N296-F298 PolarHBondContact O-N 2.91Å; F298-L300 HydrophobicContact CB-CD1 4.17Å; F298-L300 HydrophobicContact CB-CG 4.12Å; F298-L300 PolarHBondContact O-N 3.42Å; F298-I390 HydrophobicContact CD2-CD1 4.2Å; F298-I390 HydrophobicContact CE1-CD1 3.84Å; F298-I390 HydrophobicContact CE2-CD1 3.13Å; F298-I390 HydrophobicContact CZ-CD1 2.95Å; F298-I390 HydrophobicContact CZ-CG1 4.42Å; F298-F480 HydrophobicContact CB-CD2 3.85Å; F298-F480 HydrophobicContact CB-CE2 3.63Å; F298-F480 HydrophobicContact CD1-CE2 4.09Å; F298-F480 AromaticContact CG-CE2 3.93Å; F298-F480 HydrophobicContact CG-CE2 3.93Å; F298-F484 HydrophobicContact CB-CE2 3.99Å; F298-F484 HydrophobicContact CB-CZ 4.38Å; F298-F484 HydrophobicContact CD1-CD2 4.34Å; F298-F484 HydrophobicContact CD1-CE1 4.06Å; F298-F484 AromaticContact CD1-CE2 3.87Å; F298-F484 HydrophobicContact CD1-CE2 3.87Å; F298-F484 AromaticContact CD1-CZ 3.71Å; F298-F484 HydrophobicContact CD1-CZ 3.71Å; F298-F484 HydrophobicContact CE1-CE1 4.46Å; F298-F484 HydrophobicContact CE1-CZ 4.49Å; F298-F484 HydrophobicContact CG-CE2 4.45Å
299	S	82.7	Confident	89.7	Confident	50 Å²	50	35 Å²	35	35%	0.35	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	22.1	-173.5	-60.3	0	0	0	0	113.5	N296 R483	N296-S299 PolarHBondContact O-N 3.28Å; S299-R483 PolarHBondContact OG-NH1 3.43Å
300	L	84.5	Confident	89.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.173	C	C	.	.			trans	-102.3	117.2	174.8	-60	178.7	0	0	0	107.4	W295 N296 F298 Y302 F327 V329 I414 H476 F480	W295-L300 CarbonylContact C-O 3.56Å; W295-L300 HydrophobicContact CB-CB 4.07Å; N296-L300 VanDerWaalsContact CA-O 3.3Å; N296-L300 WeakPolarHBondContact CA-O 3.2Å; N296-L300 PolarHBondContact N-O 3.15Å; N296-L300 PolarHBondContact OD1-O 2.74Å; F298-L300 HydrophobicContact CB-CD1 4.17Å; F298-L300 HydrophobicContact CB-CG 4.12Å; F298-L300 PolarHBondContact O-N 3.42Å; L300-Y302 HydrophobicContact CB-CD2 3.77Å; L300-Y302 HydrophobicContact CB-CE2 4.22Å; L300-Y302 PolarHBondContact O-N 3.49Å; L300-F327 HydrophobicContact CD2-CZ 4.23Å; L300-V329 HydrophobicContact CD1-CG2 4.16Å; L300-I414 HydrophobicContact CD1-CD1 3.97Å; L300-I414 HydrophobicContact CD1-CG1 4.07Å; L300-I414 HydrophobicContact CD2-CG1 4.18Å; L300-H476 HydrophobicContact CD2-CB 3.84Å; L300-F480 HydrophobicContact CD1-CD2 4.04Å; L300-F480 HydrophobicContact CD1-CE2 4.23Å; L300-F480 HydrophobicContact CG-CD2 4.31Å
301	P	82.7	Confident	90.1	Very high	78 Å²	78	34.1 Å²	34.1	51%	0.506	17%	0.171	S	C	.	.			trans	-77.3	48.2	-173.2	34.3	-37.5	0	0	0	112.4	N296	N296-P301 WeakPolarHBondContact OD1-CA 3.23Å
302	Y	86.8	Confident	90.2	Very high	55 Å²	55	28 Å²	28	22%	0.216	14%	0.143	C	C	.	.			trans	-126.1	155.5	-174.8	-52	-62.4	0	0	0	110.7	W295 L300 E306 I414	W295-Y302 VanDerWaalsContact CB-O 3.3Å; W295-Y302 WeakPolarHBondContact CB-O 3.29Å; W295-Y302 PolarHBondContact N-O 3.31Å; W295-Y302 VanDerWaalsContact N-O 3.09Å; L300-Y302 HydrophobicContact CB-CD2 3.77Å; L300-Y302 HydrophobicContact CB-CE2 4.22Å; L300-Y302 PolarHBondContact O-N 3.49Å; Y302-E306 HydrophobicContact CD1-CB 4.16Å; Y302-E306 HydrophobicContact CD1-CG 3.94Å; Y302-I414 HydrophobicContact CD2-CG1 4.09Å; Y302-I414 HydrophobicContact CE2-CG1 3.68Å; Y302-I414 HydrophobicContact CE2-CG2 4.27Å
303	N	90.7	Very high	90.3	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.118	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-136.1	-158.4	171	65.6	18.4	0	0	0	109.7	E291 V293 R305 E306 S307	E291-N303 PolarHBondContact OE1-ND2 3.18Å; E291-N303 PolarHBondContact OE2-ND2 2.88Å; V293-N303 VanDerWaalsContact O-CA 3.23Å; V293-N303 WeakPolarHBondContact O-CA 3.14Å; V293-N303 WeakPolarHBondContact O-CB 3.43Å; N303-R305 PolarHBondContact O-N 3.32Å; N303-R305 VanDerWaalsContact O-N 3.09Å; N303-R305 WeakPolarHBondContact OD1-CB 3.47Å; N303-R305 PolarHBondContact OD1-N 2.9Å; N303-E306 PolarHBondContact N-OE2 3.23Å; N303-E306 PolarHBondContact O-N 3.19Å; N303-S307 PolarHBondContact O-OG 2.99Å
304	G	90.2	Very high	90.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-55.2	-25	175.5	0	0	0	0	0	113.4	M281 L290 V293 E306 S307	M281-G304 VanDerWaalsContact CB-O 3.24Å; M281-G304 WeakPolarHBondContact CB-O 3.27Å; L290-G304 VanDerWaalsContact O-CA 3.23Å; L290-G304 WeakPolarHBondContact O-CA 3.49Å; L290-G304 PolarHBondContact O-N 2.89Å; V293-G304 PolarHBondContact O-N 3.3Å; G304-E306 VanDerWaalsContact C-N 3.33Å; G304-E306 PolarHBondContact O-N 3.05Å; G304-S307 WeakPolarHBondContact O-CB 3.01Å; G304-S307 PolarHBondContact O-N 2.98Å
305	R	89.8	Confident	90.2	Very high	103 Å²	103	27 Å²	27	39%	0.389	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-59.5	-39.6	-178.1	-175.3	175.8	-160.1	-172.9	5.3	113.8	F282 L290 N303	F282-R305 HydrophobicContact CB-CG 4.48Å; F282-R305 WeakPolarHBondContact CB-O 3.46Å; F282-R305 HydrophobicContact CD2-CG 3.82Å; F282-R305 HydrophobicContact CG-CG 4.44Å; L290-R305 HydrophobicContact CD1-CB 4.14Å; L290-R305 HydrophobicContact CD1-CG 4.47Å; N303-R305 PolarHBondContact O-N 3.32Å; N303-R305 VanDerWaalsContact O-N 3.09Å; N303-R305 WeakPolarHBondContact OD1-CB 3.47Å; N303-R305 PolarHBondContact OD1-N 2.9Å
306	E	87.7	Confident	90.3	Very high	30 Å²	30	27 Å²	27	14%	0.14	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-97.9	8.2	178.2	-59.2	75.3	-154.7	0	0	112.5	Y302 N303 G304	Y302-E306 HydrophobicContact CD1-CB 4.16Å; Y302-E306 HydrophobicContact CD1-CG 3.94Å; N303-E306 PolarHBondContact N-OE2 3.23Å; N303-E306 PolarHBondContact O-N 3.19Å; G304-E306 VanDerWaalsContact C-N 3.33Å; G304-E306 PolarHBondContact O-N 3.05Å
307	S	93.6	Very high	90.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.			trans	-96.5	151.9	-177	-58.3	0	0	0	0	111.9	M281 W295 N303 G304 N411 S412	M281-S307 PolarHBondContact N-O 2.99Å; W295-S307 PolarHBondContact NE1-OG 2.79Å; N303-S307 PolarHBondContact O-OG 2.99Å; G304-S307 WeakPolarHBondContact O-CB 3.01Å; G304-S307 PolarHBondContact O-N 2.98Å; S307-N411 VanDerWaalsContact CA-O 3.27Å; S307-N411 WeakPolarHBondContact CA-O 3.09Å; S307-N411 WeakPolarHBondContact CB-O 3.31Å; S307-S412 PolarHBondContact OG-OG 3.46Å; S307-S412 VanDerWaalsContact OG-OG 3.08Å
308	T	94.9	Very high	91.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.8	164.7	55.5	0	0	0	0	110.8	E279 Y280 W310 V410 N411 W413	E279-T308 CarbonylContact O-C 3.56Å; E279-T308 VanDerWaalsContact O-CA 3.25Å; E279-T308 WeakPolarHBondContact O-CA 3.48Å; Y280-T308 HydrophobicContact CD1-CG2 3.95Å; Y280-T308 HydrophobicContact CD2-CG2 4.41Å; Y280-T308 HydrophobicContact CE1-CG2 4.07Å; Y280-T308 HydrophobicContact CG-CG2 4.16Å; T308-W310 PolarHBondContact OG1-NE1 2.75Å; T308-W310 VanDerWaalsContact OG1-NE1 3.15Å; T308-V410 WeakPolarHBondContact O-CA 3.25Å; T308-N411 PolarHBondContact N-O 3.14Å; T308-N411 PolarHBondContact O-N 3.02Å; T308-N411 VanDerWaalsContact O-N 3.09Å; T308-N411 PolarHBondContact OG1-OD1 3.48Å; T308-W413 HydrophobicContact CG2-CH2 4.16Å; T308-W413 HydrophobicContact CG2-CZ3 3.58Å; T308-W413 VanDerWaalsContact OG1-CH2 3.28Å; T308-W413 WeakPolarHBondContact OG1-CH2 3.08Å; T308-W413 WeakPolarHBondContact OG1-CZ3 3.32Å
309	F	95.4	Very high	91.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.4	-176.7	172.9	-98.3	0	0	0	110	V208 E279 M281 F285 M311 I408 V410	V208-F309 HydrophobicContact CG1-CZ 4.23Å; V208-F309 HydrophobicContact CG2-CZ 4.2Å; E279-F309 HydrophobicContact CB-CB 4.45Å; E279-F309 HydrophobicContact CB-CD1 4.5Å; E279-F309 PolarHBondContact N-O 3.29Å; E279-F309 PolarHBondContact O-N 2.74Å; M281-F309 HydrophobicContact CG-CB 3.7Å; F285-F309 HydrophobicContact CE2-CB 3.9Å; F285-F309 HydrophobicContact CE2-CD1 4.14Å; F285-F309 AromaticContact CE2-CD2 3.92Å; F285-F309 HydrophobicContact CE2-CD2 3.92Å; F285-F309 HydrophobicContact CE2-CE2 4.46Å; F285-F309 AromaticContact CE2-CG 3.72Å; F285-F309 HydrophobicContact CE2-CG 3.72Å; F285-F309 HydrophobicContact CZ-CB 4.39Å; F285-F309 HydrophobicContact CZ-CD1 4.33Å; F285-F309 AromaticContact CZ-CD2 3.54Å; F285-F309 HydrophobicContact CZ-CD2 3.54Å; F285-F309 AromaticContact CZ-CE2 3.75Å; F285-F309 HydrophobicContact CZ-CE2 3.75Å; F285-F309 AromaticContact CZ-CG 3.84Å; F285-F309 HydrophobicContact CZ-CG 3.84Å; F285-F309 HydrophobicContact CZ-CZ 4.25Å; F309-M311 HydrophobicContact CE1-CB 3.66Å; F309-M311 HydrophobicContact CE1-CE 4.3Å; F309-M311 HydrophobicContact CZ-CB 3.74Å; F309-M311 HydrophobicContact CZ-CG 4.49Å; F309-M311 HydrophobicContact CZ-SD 4.27Å; F309-I408 HydrophobicContact CD2-CG2 4.17Å; F309-I408 HydrophobicContact CE2-CG2 3.39Å; F309-I408 HydrophobicContact CZ-CG2 4.03Å; F309-V410 HydrophobicContact CD2-CG1 4.22Å
310	W	97.1	Very high	92.4	Very high	30 Å²	30	19.3 Å²	19.3	11%	0.114	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	132	-178	-53.1	75.8	0	0	0	109.5	Y275 V276 D277 Y278 T308 I408 S409 N411 W413	Y275-W310 HydrophobicContact CE2-CB 4.27Å; Y275-W310 HydrophobicContact CE2-CE3 4.27Å; Y275-W310 AromaticContact CZ-CE3 3.96Å; V276-W310 WeakPolarHBondContact O-CA 3.18Å; D277-W310 HydrophobicContact CB-CE3 3.42Å; D277-W310 VanDerWaalsContact CB-CE3 3.42Å; D277-W310 HydrophobicContact CB-CH2 4.45Å; D277-W310 HydrophobicContact CB-CZ3 3.38Å; Y278-W310 AromaticContact CD2-CH2 3.83Å; Y278-W310 HydrophobicContact CD2-CH2 3.83Å; Y278-W310 AromaticContact CD2-CZ2 3.76Å; Y278-W310 HydrophobicContact CD2-CZ2 3.76Å; Y278-W310 HydrophobicContact CG-CH2 4.41Å; Y278-W310 HydrophobicContact CG-CZ2 4.47Å; T308-W310 PolarHBondContact OG1-NE1 2.75Å; T308-W310 VanDerWaalsContact OG1-NE1 3.15Å; W310-I408 WeakPolarHBondContact O-CA 3.38Å; W310-S409 PolarHBondContact N-O 3.2Å; W310-S409 PolarHBondContact O-N 3.1Å; W310-N411 PolarHBondContact NE1-OD1 3.06Å; W310-W413 AromaticContact CZ2-CH2 3.89Å; W310-W413 HydrophobicContact CZ2-CH2 3.89Å; W310-W413 HydrophobicContact CZ2-CZ2 4.28Å
311	M	95.9	Very high	92.9	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	111.6	179.1	177.9	177.8	57.5	0	0	110.2	F205 V208 F248 Y275 V276 F309 S407 I408	F205-M311 HydrophobicContact CD1-CG 4.43Å; F205-M311 HydrophobicContact CD1-SD 4.24Å; F205-M311 HydrophobicContact CE1-CG 3.78Å; F205-M311 HydrophobicContact CE1-SD 4.15Å; F205-M311 HydrophobicContact CE2-CG 3.92Å; F205-M311 HydrophobicContact CZ-CG 3.47Å; F205-M311 VanDerWaalsContact CZ-CG 3.47Å; F205-M311 HydrophobicContact CZ-SD 4.3Å; V208-M311 HydrophobicContact CB-SD 4.49Å; V208-M311 HydrophobicContact CG1-CE 4.35Å; V208-M311 HydrophobicContact CG1-SD 4.11Å; V208-M311 HydrophobicContact CG2-SD 4.38Å; F248-M311 HydrophobicContact CD1-CE 3.35Å; F248-M311 HydrophobicContact CD1-SD 3.99Å; F248-M311 HydrophobicContact CE1-CE 3.43Å; F248-M311 VanDerWaalsContact CE1-CE 3.43Å; F248-M311 HydrophobicContact CE1-CG 3.97Å; F248-M311 HydrophobicContact CE1-SD 3.77Å; F248-M311 HydrophobicContact CG-CE 4.31Å; F248-M311 HydrophobicContact CZ-CE 4.44Å; Y275-M311 WeakPolarHBondContact CD2-O 3.09Å; V276-M311 HydrophobicContact CB-CB 4.25Å; V276-M311 HydrophobicContact CB-CE 4.4Å; V276-M311 WeakPolarHBondContact CB-O 3.41Å; V276-M311 HydrophobicContact CG2-CE 3.87Å; V276-M311 PolarHBondContact N-O 3.14Å; V276-M311 PolarHBondContact O-N 3.11Å; F309-M311 HydrophobicContact CE1-CB 3.66Å; F309-M311 HydrophobicContact CE1-CE 4.3Å; F309-M311 HydrophobicContact CZ-CB 3.74Å; F309-M311 HydrophobicContact CZ-CG 4.49Å; F309-M311 HydrophobicContact CZ-SD 4.27Å; M311-S407 WeakPolarHBondContact CA-O 3.48Å; M311-I408 HydrophobicContact CB-CG1 4.48Å; M311-I408 HydrophobicContact CG-CG1 4.16Å
312	G	95.9	Very high	93.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.6	-174.9	0	0	0	0	0	112.1	A274 Y275 S316 D406 S407	A274-G312 WeakPolarHBondContact O-CA 3.37Å; Y275-G312 VanDerWaalsContact CD2-CA 3.46Å; G312-S316 WeakPolarHBondContact CA-OG 3.47Å; G312-D406 WeakPolarHBondContact O-CA 3.13Å; G312-S407 PolarHBondContact N-O 2.94Å; G312-S407 PolarHBondContact O-N 3.41Å
313	T	96	Very high	94	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.074	C	C	.	.			trans	-72.5	158	170.8	60.9	0	0	0	0	111.3	F205 F248 W251 W273 A274 G315 S316 C403 D406	F205-T313 HydrophobicContact CE1-CG2 4.4Å; F248-T313 HydrophobicContact CZ-CG2 4.21Å; W251-T313 HydrophobicContact CZ3-CG2 3.95Å; W273-T313 WeakPolarHBondContact CA-OG1 3.44Å; A274-T313 HydrophobicContact CB-CG2 4.45Å; A274-T313 PolarHBondContact N-OG1 3.06Å; A274-T313 PolarHBondContact O-N 3.37Å; A274-T313 PolarHBondContact O-OG1 3.2Å; T313-G315 PolarHBondContact O-N 3.27Å; T313-S316 WeakPolarHBondContact O-CB 3.5Å; T313-S316 PolarHBondContact O-N 3.27Å; T313-S316 PolarHBondContact O-OG 3.04Å; T313-C403 WeakPolarHBondContact O-CB 3.42Å; T313-D406 WeakPolarHBondContact CA-OD1 3.47Å; T313-D406 WeakPolarHBondContact CB-OD1 3.19Å
314	S	94.8	Very high	94	Very high	44 Å²	44	14 Å²	14	31%	0.308	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	133.5	174.1	179.3	0	0	0	0	111.3	R224 I404 D406	R224-S314 PolarHBondContact NH1-O 3.06Å; S314-I404 WeakPolarHBondContact CB-O 3.31Å; S314-I404 PolarHBondContact OG-O 2.97Å; S314-D406 PolarHBondContact N-OD1 2.84Å
315	G	92.1	Very high	94	Very high	14 Å²	14	14.9 Å²	14.9	14%	0.144	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-18.2	-177.4	0	0	0	0	0	115	T313 C403	T313-G315 PolarHBondContact O-N 3.27Å; G315-C403 PolarHBondContact N-O 3.26Å
316	S	94.4	Very high	94	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.			trans	-64.3	150.6	173.5	59.3	0	0	0	0	111.9	G312 T313 Q402 C403	G312-S316 WeakPolarHBondContact CA-OG 3.47Å; T313-S316 WeakPolarHBondContact O-CB 3.5Å; T313-S316 PolarHBondContact O-N 3.27Å; T313-S316 PolarHBondContact O-OG 3.04Å; S316-Q402 WeakPolarHBondContact O-CA 3.47Å; S316-C403 PolarHBondContact O-N 2.91Å; S316-C403 WeakPolarHBondContact OG-CB 3.12Å; S316-C403 PolarHBondContact OG-SG 3.46Å
317	F	94.2	Very high	94.1	Very high	10 Å²	10	8.7 Å²	8.7	4%	0.044	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.1	-178	66.7	-87.4	0	0	0	112.9	R220 L233 W273 F369 F400 V401 Q402	R220-F317 PolarHBondContact NH1-O 3.26Å; R220-F317 PolarHBondContact NH2-O 2.98Å; L233-F317 HydrophobicContact CB-CZ 4.03Å; L233-F317 HydrophobicContact CD2-CZ 4.14Å; L233-F317 HydrophobicContact CG-CZ 4.48Å; W273-F317 AromaticContact CZ2-CD1 3.89Å; W273-F317 HydrophobicContact CZ2-CD1 3.89Å; W273-F317 AromaticContact CZ2-CE1 3.55Å; W273-F317 HydrophobicContact CZ2-CE1 3.55Å; W273-F317 HydrophobicContact CZ2-CZ 4.19Å; F317-F369 HydrophobicContact CB-CZ 4.37Å; F317-F369 AromaticContact CD1-CE2 3.78Å; F317-F369 HydrophobicContact CD1-CE2 3.78Å; F317-F369 AromaticContact CD1-CZ 3.62Å; F317-F369 HydrophobicContact CD1-CZ 3.62Å; F317-F369 AromaticContact CD2-CE2 3.96Å; F317-F369 HydrophobicContact CD2-CE2 3.96Å; F317-F369 HydrophobicContact CD2-CZ 4.2Å; F317-F369 AromaticContact CE1-CE2 3.55Å; F317-F369 HydrophobicContact CE1-CE2 3.55Å; F317-F369 AromaticContact CE1-CZ 3.86Å; F317-F369 HydrophobicContact CE1-CZ 3.86Å; F317-F369 AromaticContact CE2-CE2 3.76Å; F317-F369 HydrophobicContact CE2-CE2 3.76Å; F317-F369 HydrophobicContact CE2-CZ 4.42Å; F317-F369 AromaticContact CG-CE2 3.98Å; F317-F369 HydrophobicContact CG-CE2 3.98Å; F317-F369 AromaticContact CG-CZ 3.8Å; F317-F369 HydrophobicContact CG-CZ 3.8Å; F317-F369 AromaticContact CZ-CE2 3.54Å; F317-F369 HydrophobicContact CZ-CE2 3.54Å; F317-F369 HydrophobicContact CZ-CZ 4.25Å; F317-F400 HydrophobicContact CB-CE2 4.14Å; F317-F400 HydrophobicContact CB-CZ 3.97Å; F317-F400 AromaticContact CD2-CE2 3.73Å; F317-F400 HydrophobicContact CD2-CE2 3.73Å; F317-F400 HydrophobicContact CD2-CZ 4.27Å; F317-F400 HydrophobicContact CG-CE2 4.19Å; F317-F400 HydrophobicContact CG-CZ 4.27Å; F317-V401 CarbonylContact C-O 3.57Å; F317-V401 WeakPolarHBondContact CA-O 3.25Å; F317-V401 WeakPolarHBondContact CB-O 3.27Å; F317-Q402 HydrophobicContact CB-CB 4.27Å; F317-Q402 HydrophobicContact CB-CG 4.3Å
318	T	93.9	Very high	94.2	Very high	9 Å²	9	9.1 Å²	9.1	6%	0.055	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.9	168.4	-58.4	0	0	0	0	107.5	E235 Y275 H321 F400 V401	E235-T318 WeakPolarHBondContact OE1-CA 3.24Å; E235-T318 WeakPolarHBondContact OE1-CG2 3.41Å; Y275-T318 WeakPolarHBondContact CE1-OG1 3.24Å; T318-H321 WeakPolarHBondContact CG2-CE1 3.48Å; T318-F400 VanDerWaalsContact O-CD2 3.24Å; T318-F400 WeakPolarHBondContact O-CD2 3.38Å; T318-V401 PolarHBondContact N-O 3.08Å; T318-V401 PolarHBondContact O-N 2.8Å
319	A	93.4	Very high	94.2	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.017	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	159	-177.9	0	0	0	0	0	111.1	I232 Y234 E235 H321 Y363	I232-A319 HydrophobicContact CG2-CB 4.05Å; Y234-A319 HydrophobicContact CD1-CB 3.97Å; Y234-A319 HydrophobicContact CE1-CB 4.49Å; E235-A319 PolarHBondContact OE1-N 3.33Å; A319-H321 PolarHBondContact O-N 3.22Å; A319-H321 PolarHBondContact O-ND1 3.08Å; A319-Y363 HydrophobicContact CB-CD1 4.3Å; A319-Y363 HydrophobicContact CB-CE1 4.4Å
320	C	95.9	Very high	94.3	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.02	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.3	-178.6	-174.1	0	0	0	0	110.2	S364 L368 H399 F400	C320-S364 WeakPolarHBondContact O-CB 3.39Å; C320-S364 PolarHBondContact O-N 3.24Å; C320-L368 HydrophobicContact CB-CD1 3.73Å; C320-L368 HydrophobicContact CB-CG 4.27Å; C320-H399 WeakPolarHBondContact CA-O 3.46Å; C320-F400 HydrophobicContact CB-CB 4.09Å
321	H	96.5	Very high	94.3	Very high	14 Å²	14	7.8 Å²	7.8	7%	0.065	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	171.8	178.8	66.4	-69.7	0	0	0	110.5	T318 A319 D323 V362 Y363 W398 H399	T318-H321 WeakPolarHBondContact CG2-CE1 3.48Å; A319-H321 PolarHBondContact O-N 3.22Å; A319-H321 PolarHBondContact O-ND1 3.08Å; H321-D323 IonicContact CD2-OD1 3.82Å; H321-D323 IonicContact NE2-OD1 3.99Å; H321-V362 CarbonylContact C-O 3.29Å; H321-V362 WeakPolarHBondContact CA-O 3.46Å; H321-V362 WeakPolarHBondContact CB-O 3.24Å; H321-Y363 HydrophobicContact CB-CD1 3.76Å; H321-Y363 HydrophobicContact CB-CE1 4.01Å; H321-Y363 HydrophobicContact CB-CG 4.25Å; H321-W398 CarbonylContact O-C 3.55Å; H321-W398 VanDerWaalsContact O-CA 3.31Å; H321-W398 WeakPolarHBondContact O-CA 3.45Å; H321-H399 AromaticContact CE1-CD2 3.8Å; H321-H399 AromaticContact CE1-NE2 3.36Å; H321-H399 PolarHBondContact CE1-NE2 3.35Å; H321-H399 PolarHBondContact N-O 3.17Å; H321-H399 VanDerWaalsContact N-O 3.1Å; H321-H399 AromaticContact NE2-CE1 3.85Å; H321-H399 AromaticContact NE2-NE2 3.3Å; H321-H399 PolarHBondContact NE2-NE2 2.88Å; H321-H399 PolarHBondContact O-N 3.21Å; H321-H399 PolarHBondContact O-ND1 2.96Å
322	Y	96.2	Very high	94.4	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.016	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.6	161.3	71.2	-101.2	0	0	0	110.6	T324 V362 R396 W397 W398 P531	Y322-T324 HydrophobicContact CD2-CG2 4.41Å; Y322-T324 HydrophobicContact CE2-CG2 3.88Å; Y322-V362 HydrophobicContact CD1-CB 3.98Å; Y322-V362 HydrophobicContact CD1-CG1 4.23Å; Y322-V362 HydrophobicContact CD2-CB 4.45Å; Y322-V362 HydrophobicContact CE1-CB 3.5Å; Y322-V362 VanDerWaalsContact CE1-CB 3.5Å; Y322-V362 HydrophobicContact CE1-CG1 3.52Å; Y322-V362 HydrophobicContact CE1-CG2 4.16Å; Y322-V362 HydrophobicContact CE2-CB 4Å; Y322-V362 HydrophobicContact CE2-CG2 4.01Å; Y322-V362 HydrophobicContact CG-CB 4.44Å; Y322-V362 VanDerWaalsContact CZ-CB 3.48Å; Y322-V362 PolarHBondContact N-O 2.74Å; Y322-V362 PolarHBondContact O-N 3.33Å; Y322-V362 VanDerWaalsContact O-N 3.08Å; Y322-V362 WeakPolarHBondContact OH-CG2 3.31Å; Y322-R396 HydrophobicContact CD2-CB 4.29Å; Y322-R396 HydrophobicContact CD2-CG 4.49Å; Y322-R396 PolarHBondContact OH-NH2 3.39Å; Y322-R396 VanDerWaalsContact OH-NH2 3.07Å; Y322-W397 WeakPolarHBondContact CB-O 3.13Å; Y322-W398 AromaticContact CD1-CD2 3.71Å; Y322-W398 HydrophobicContact CD1-CD2 3.71Å; Y322-W398 AromaticContact CD1-CE2 3.54Å; Y322-W398 AromaticContact CD1-CE3 3.77Å; Y322-W398 HydrophobicContact CD1-CE3 3.77Å; Y322-W398 HydrophobicContact CD1-CG 4.49Å; Y322-W398 AromaticContact CD1-CH2 3.44Å; Y322-W398 HydrophobicContact CD1-CH2 3.44Å; Y322-W398 VanDerWaalsContact CD1-CH2 3.44Å; Y322-W398 AromaticContact CD1-CZ2 3.43Å; Y322-W398 HydrophobicContact CD1-CZ2 3.43Å; Y322-W398 VanDerWaalsContact CD1-CZ2 3.43Å; Y322-W398 AromaticContact CD1-CZ3 3.63Å; Y322-W398 HydrophobicContact CD1-CZ3 3.63Å; Y322-W398 AromaticContact CE1-CH2 3.46Å; Y322-W398 HydrophobicContact CE1-CH2 3.46Å; Y322-W398 VanDerWaalsContact CE1-CH2 3.46Å; Y322-W398 AromaticContact CE1-CZ2 3.44Å; Y322-W398 HydrophobicContact CE1-CZ2 3.44Å; Y322-W398 VanDerWaalsContact CE1-CZ2 3.44Å; Y322-W398 HydrophobicContact CE1-CZ3 4.09Å; Y322-P531 WeakPolarHBondContact OH-CG 3.34Å
323	D	94.6	Very high	94.5	Very high	18 Å²	18	7.6 Å²	7.6	10%	0.096	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.5	173.5	-64.8	-38.9	0	0	0	109.6	H321 Y325 N328 S360 H399 W413	H321-D323 IonicContact CD2-OD1 3.82Å; H321-D323 IonicContact NE2-OD1 3.99Å; D323-Y325 VanDerWaalsContact C-N 3.3Å; D323-Y325 PolarHBondContact O-N 2.73Å; D323-N328 PolarHBondContact OD2-ND2 2.87Å; D323-S360 WeakPolarHBondContact CA-O 3.08Å; D323-H399 IonicContact OD2-CE1 3.67Å; D323-W413 PolarHBondContact OD2-NE1 2.9Å
324	T	92.2	Very high	94.6	Very high	8 Å²	8	9 Å²	9	5%	0.049	6%	0.056	C	C	.	.	S	Bend	trans	-78.4	-16.8	-177.2	64.8	0	0	0	0	113.6	Y322 S360 V362 S422 E426	Y322-T324 HydrophobicContact CD2-CG2 4.41Å; Y322-T324 HydrophobicContact CE2-CG2 3.88Å; T324-S360 PolarHBondContact N-O 3.07Å; T324-S360 VanDerWaalsContact OG1-CA 3.28Å; T324-S360 WeakPolarHBondContact OG1-CA 3.21Å; T324-V362 HydrophobicContact CG2-CG2 3.79Å; T324-S422 WeakPolarHBondContact O-CB 3.49Å; T324-S422 PolarHBondContact O-OG 3.3Å; T324-E426 WeakPolarHBondContact CB-OE1 3.37Å; T324-E426 WeakPolarHBondContact CG2-OE1 3.46Å; T324-E426 PolarHBondContact OG1-OE1 3.3Å
325	Y	89.8	Confident	94.7	Very high	19 Å²	19	7.2 Å²	7.2	8%	0.075	5%	0.045	C	C	.	.	S	Bend	trans	-119.6	143.3	-178.7	-49.9	-60.2	0	0	0	112.8	P128 G129 D323 S360 D419 R423 E426	P128-Y325 VanDerWaalsContact C-OH 3.27Å; P128-Y325 WeakPolarHBondContact CB-OH 3.41Å; G129-Y325 PolarHBondContact N-OH 3.45Å; D323-Y325 VanDerWaalsContact C-N 3.3Å; D323-Y325 PolarHBondContact O-N 2.73Å; Y325-S360 VanDerWaalsContact CE2-OG 3.29Å; Y325-S360 WeakPolarHBondContact CE2-OG 3.34Å; Y325-D419 WeakPolarHBondContact CA-OD1 3.32Å; Y325-D419 HydrophobicContact CD1-CB 4.22Å; Y325-R423 HydrophobicContact CD1-CG 4.34Å; Y325-R423 HydrophobicContact CE1-CB 4.34Å; Y325-R423 HydrophobicContact CE1-CG 3.61Å; Y325-E426 HydrophobicContact CE1-CG 4.34Å; Y325-E426 VanDerWaalsContact OH-CB 3.22Å; Y325-E426 WeakPolarHBondContact OH-CB 3.34Å; Y325-E426 VanDerWaalsContact OH-CG 3.25Å; Y325-E426 WeakPolarHBondContact OH-CG 3.49Å
326	G	88.9	Confident	94.9	Very high	3 Å²	3	9.5 Å²	9.5	3%	0.031	5%	0.051	C	C	.	.	S	Bend	trans	67.7	-177	166.6	0	0	0	0	0	114.2	P395 I414 D419	G326-P395 WeakPolarHBondContact O-CA 3.29Å; G326-P395 WeakPolarHBondContact O-CB 3.43Å; G326-I414 CarbonylContact C-O 3.55Å; G326-I414 WeakPolarHBondContact CA-O 3.37Å; G326-D419 PolarHBondContact N-OD1 3.03Å; G326-D419 PolarHBondContact N-OD2 3.23Å
327	F	91.5	Very high	95.1	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	156.7	155.6	67.5	-92.5	0	0	0	109	L300 V329 F392 V393 P395 W413 I414 V416 L477	L300-F327 HydrophobicContact CD2-CZ 4.23Å; F327-V329 HydrophobicContact CD2-CG1 4Å; F327-V329 HydrophobicContact CE2-CG1 3.78Å; F327-F392 HydrophobicContact CB-CE2 3.92Å; F327-F392 HydrophobicContact CB-CZ 4.18Å; F327-F392 AromaticContact CD2-CD2 3.79Å; F327-F392 HydrophobicContact CD2-CD2 3.79Å; F327-F392 AromaticContact CD2-CE2 3.31Å; F327-F392 HydrophobicContact CD2-CE2 3.31Å; F327-F392 HydrophobicContact CD2-CZ 4.34Å; F327-F392 HydrophobicContact CE2-CD2 4.22Å; F327-F392 AromaticContact CE2-CE2 3.84Å; F327-F392 HydrophobicContact CE2-CE2 3.84Å; F327-F392 AromaticContact CG-CE2 3.68Å; F327-F392 HydrophobicContact CG-CE2 3.68Å; F327-F392 HydrophobicContact CG-CZ 4.32Å; F327-V393 WeakPolarHBondContact CB-O 3.48Å; F327-P395 HydrophobicContact CB-CG 4.15Å; F327-W413 WeakPolarHBondContact O-CA 3.37Å; F327-I414 HydrophobicContact CD1-CB 4.01Å; F327-I414 HydrophobicContact CD1-CG2 4.32Å; F327-I414 HydrophobicContact CD2-CB 4.38Å; F327-I414 HydrophobicContact CD2-CD1 4.31Å; F327-I414 HydrophobicContact CE1-CB 3.48Å; F327-I414 VanDerWaalsContact CE1-CB 3.48Å; F327-I414 HydrophobicContact CE1-CG1 4.34Å; F327-I414 HydrophobicContact CE1-CG2 3.47Å; F327-I414 VanDerWaalsContact CE1-CG2 3.47Å; F327-I414 HydrophobicContact CE2-CB 3.89Å; F327-I414 HydrophobicContact CE2-CD1 3.77Å; F327-I414 HydrophobicContact CE2-CG1 3.97Å; F327-I414 HydrophobicContact CG-CB 4.45Å; F327-I414 HydrophobicContact CZ-CB 3.43Å; F327-I414 VanDerWaalsContact CZ-CB 3.43Å; F327-I414 HydrophobicContact CZ-CD1 4.12Å; F327-I414 HydrophobicContact CZ-CG1 3.77Å; F327-I414 HydrophobicContact CZ-CG2 3.62Å; F327-I414 PolarHBondContact N-O 2.8Å; F327-I414 VanDerWaalsContact N-O 3.09Å; F327-I414 PolarHBondContact O-N 3.46Å; F327-V416 HydrophobicContact CD1-CG1 3.75Å; F327-V416 HydrophobicContact CE1-CG1 4.32Å; F327-L477 HydrophobicContact CD1-CB 4.11Å; F327-L477 HydrophobicContact CD1-CD1 3.7Å; F327-L477 HydrophobicContact CD1-CG 4.41Å; F327-L477 HydrophobicContact CE1-CB 3.81Å; F327-L477 HydrophobicContact CE1-CD1 3.99Å; F327-L477 HydrophobicContact CE1-CG 4.5Å; F327-L477 HydrophobicContact CG-CD1 4.17Å
328	N	94.8	Very high	95.2	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.043	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.3	-177.4	-173.8	-4.2	0	0	0	109.9	D323 V330 V393 N411 S412 W413	D323-N328 PolarHBondContact OD2-ND2 2.87Å; N328-V330 WeakPolarHBondContact OD1-CG2 3.34Å; N328-V393 HydrophobicContact CB-CB 4.13Å; N328-V393 PolarHBondContact N-O 2.95Å; N328-V393 PolarHBondContact O-N 3.49Å; N328-N411 VanDerWaalsContact CG-ND2 3.31Å; N328-N411 PolarHBondContact ND2-ND2 2.9Å; N328-N411 WeakPolarHBondContact OD1-CB 3.22Å; N328-N411 PolarHBondContact OD1-ND2 3.35Å; N328-S412 PolarHBondContact OD1-O 3.22Å; N328-W413 PolarHBondContact ND2-NE1 2.97Å
329	V	95.2	Very high	95.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.3	171.1	-71.1	0	0	0	0	109.4	W295 L300 F327 L391 F392 N411 S412 I414 F480	W295-V329 HydrophobicContact CD2-CG2 4.39Å; W295-V329 HydrophobicContact CE3-CB 4.5Å; W295-V329 HydrophobicContact CE3-CG2 3.83Å; W295-V329 HydrophobicContact CH2-CB 4.42Å; W295-V329 HydrophobicContact CH2-CG2 4.03Å; W295-V329 VanDerWaalsContact CH2-O 3.32Å; W295-V329 WeakPolarHBondContact CH2-O 3.3Å; W295-V329 HydrophobicContact CZ3-CB 3.96Å; W295-V329 HydrophobicContact CZ3-CG2 3.64Å; L300-V329 HydrophobicContact CD1-CG2 4.16Å; F327-V329 HydrophobicContact CD2-CG1 4Å; F327-V329 HydrophobicContact CE2-CG1 3.78Å; V329-L391 WeakPolarHBondContact CA-O 3.4Å; V329-F392 HydrophobicContact CG1-CD2 4.11Å; V329-N411 WeakPolarHBondContact O-CA 3.38Å; V329-N411 WeakPolarHBondContact O-CB 3.4Å; V329-S412 PolarHBondContact N-O 2.8Å; V329-S412 PolarHBondContact O-N 3.3Å; V329-S412 VanDerWaalsContact O-N 3.09Å; V329-I414 HydrophobicContact CG2-CD1 3.61Å; V329-F480 HydrophobicContact CG1-CE2 3.99Å; V329-F480 HydrophobicContact CG1-CZ 3.85Å
330	V	97.5	Very high	95.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.012	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	-172.9	-177.1	0	0	0	0	109.4	N328 W339 L385 I390 L391 N411	N328-V330 WeakPolarHBondContact OD1-CG2 3.34Å; V330-W339 HydrophobicContact CB-CZ2 4.3Å; V330-W339 HydrophobicContact CG1-CZ2 3.89Å; V330-W339 HydrophobicContact CG2-CH2 3.76Å; V330-W339 HydrophobicContact CG2-CZ2 3.88Å; V330-L385 HydrophobicContact CG1-CD1 4.39Å; V330-I390 CarbonylContact O-C 3.5Å; V330-I390 WeakPolarHBondContact O-CA 3.38Å; V330-L391 HydrophobicContact CB-CB 4.33Å; V330-L391 PolarHBondContact N-O 2.86Å; V330-L391 PolarHBondContact O-N 3.41Å; V330-N411 HydrophobicContact CB-CB 4.21Å; V330-N411 HydrophobicContact CG1-CB 4.39Å; V330-N411 HydrophobicContact CG2-CB 3.82Å
331	A	97.7	Very high	95.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.8	175.9	0	0	0	0	0	110.4	I195 W198 W295 L333 I390 S409 V410	I195-A331 HydrophobicContact CD1-CB 3.86Å; W198-A331 HydrophobicContact CH2-CB 4.08Å; W198-A331 HydrophobicContact CZ3-CB 3.72Å; W295-A331 HydrophobicContact CH2-CB 3.58Å; W295-A331 HydrophobicContact CZ2-CB 4.33Å; W295-A331 HydrophobicContact CZ3-CB 4.16Å; A331-L333 PolarHBondContact O-N 3.34Å; A331-I390 HydrophobicContact CB-CG1 4Å; A331-S409 VanDerWaalsContact O-CA 3.27Å; A331-S409 WeakPolarHBondContact O-CA 3.33Å; A331-S409 VanDerWaalsContact O-CB 3.32Å; A331-S409 WeakPolarHBondContact O-CB 3.47Å; A331-V410 HydrophobicContact CB-CG2 3.87Å; A331-V410 PolarHBondContact N-O 3.35Å; A331-V410 PolarHBondContact O-N 3.5Å
332	Q	98	Very high	95.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.9	177.5	-173.5	64.2	22.8	0	0	110	C334 G335 L385 E386 P387 G388 D389	Q332-C334 PolarHBondContact NE2-O 3.36Å; Q332-G335 PolarHBondContact NE2-O 2.87Å; Q332-L385 HydrophobicContact CB-CB 3.89Å; Q332-L385 HydrophobicContact CG-CB 4.03Å; Q332-E386 WeakPolarHBondContact CB-O 3.44Å; Q332-P387 WeakPolarHBondContact O-CA 3.49Å; Q332-G388 PolarHBondContact O-N 3.05Å; Q332-D389 PolarHBondContact N-O 3.42Å
333	L	97.6	Very high	95.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-40.5	-173.8	-59.2	-176.2	0	0	0	112.9	I195 W198 A200 R201 W203 A331 I408 V410	I195-L333 HydrophobicContact CD1-CD2 3.86Å; W198-L333 HydrophobicContact CE3-CD2 4.27Å; A200-L333 HydrophobicContact CB-CD1 3.97Å; A200-L333 HydrophobicContact CB-CD2 4.14Å; R201-L333 PolarHBondContact NH1-O 3.09Å; W203-L333 HydrophobicContact CD2-CD1 4.44Å; W203-L333 HydrophobicContact CE3-CD1 3.54Å; W203-L333 HydrophobicContact CZ3-CD1 3.9Å; A331-L333 PolarHBondContact O-N 3.34Å; L333-I408 HydrophobicContact CB-CB 4.41Å; L333-I408 HydrophobicContact CB-CG2 4.25Å; L333-I408 WeakPolarHBondContact CB-O 3.49Å; L333-I408 HydrophobicContact CD1-CG2 4.12Å; L333-I408 PolarHBondContact N-O 3.33Å; L333-V410 HydrophobicContact CD1-CB 4.49Å; L333-V410 HydrophobicContact CD1-CG1 3.77Å; L333-V410 HydrophobicContact CD1-CG2 4.06Å; L333-V410 HydrophobicContact CD2-CG2 4.32Å; L333-V410 HydrophobicContact CG-CG2 4.25Å
334	C	96.7	Very high	95.7	Very high	30 Å²	30	11.9 Å²	11.9	20%	0.203	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.3	-176.9	-175.1	0	0	0	0	110.2	Q332 S407 I408	Q332-C334 PolarHBondContact NE2-O 3.36Å; C334-S407 CarbonylContact O-C 3.54Å; C334-S407 WeakPolarHBondContact O-CA 3.47Å; C334-S407 WeakPolarHBondContact O-CB 3.48Å; C334-I408 HydrophobicContact CB-CB 4.02Å; C334-I408 HydrophobicContact CB-CD1 4.28Å; C334-I408 HydrophobicContact CB-CG1 4.26Å; C334-I408 PolarHBondContact N-O 3.19Å; C334-I408 PolarHBondContact O-N 2.74Å
335	G	96.8	Very high	95.7	Very high	7 Å²	7	18.4 Å²	18.4	7%	0.072	9%	0.092	C	C	.	.	S	Bend	trans	63.2	-171.9	-176.6	0	0	0	0	0	113.2	Q332 P387 D406	Q332-G335 PolarHBondContact NE2-O 2.87Å; G335-P387 WeakPolarHBondContact O-CD 3.43Å; G335-P387 WeakPolarHBondContact O-CG 3.42Å; G335-D406 WeakPolarHBondContact CA-O 3.41Å
336	K	97.4	Very high	95.9	Very high	61 Å²	61	17.7 Å²	17.7	27%	0.265	9%	0.089	S	C	.	.			trans	-117.4	134.9	-178	-60.1	-172.6	-171.1	-155	0	111.9	T384 L385 E386 I404 E405	K336-T384 HydrophobicContact CB-CG2 4.01Å; K336-T384 HydrophobicContact CD-CG2 4.37Å; K336-L385 WeakPolarHBondContact CA-O 3.38Å; K336-E386 HydrophobicContact CD-CG 4.39Å; K336-E386 IonicContact NZ-OE1 3.78Å; K336-E386 PolarHBondContact NZ-OE1 3.16Å; K336-I404 HydrophobicContact CB-CB 4.21Å; K336-I404 PolarHBondContact O-N 3.48Å; K336-E405 HydrophobicContact CB-CG 4.42Å; K336-E405 PolarHBondContact O-N 3.06Å
337	K	97.4	Very high	96.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.6	173.2	-73.8	-171.1	-179	-172	0	110.5	Y275 T384 L385 V401 Q402 S407 S409	Y275-K337 PolarHBondContact OH-NZ 3.47Å; K337-T384 CarbonylContact O-C 3.52Å; K337-T384 WeakPolarHBondContact O-CA 3.28Å; K337-L385 PolarHBondContact N-O 3.19Å; K337-L385 PolarHBondContact O-N 3.39Å; K337-V401 HydrophobicContact CB-CG1 4.5Å; K337-V401 HydrophobicContact CD-CG1 4.25Å; K337-Q402 CarbonylContact C-O 2.97Å; K337-Q402 WeakPolarHBondContact CA-O 3.24Å; K337-S407 WeakPolarHBondContact CE-OG 3.29Å; K337-S407 WeakPolarHBondContact CG-OG 3.39Å; K337-S409 PolarHBondContact NZ-OG 3.43Å
338	R	97.2	Very high	96.2	Very high	49 Å²	49	26.2 Å²	26.2	19%	0.185	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.8	172.9	-179.2	-175.4	-61.9	150.8	-8.4	109.6	I340 V383 V401 Q402 I404 I502	R338-I340 HydrophobicContact CG-CG1 4.49Å; R338-V383 WeakPolarHBondContact CA-O 3.29Å; R338-V401 CarbonylContact O-C 3.52Å; R338-V401 WeakPolarHBondContact O-CA 3.49Å; R338-Q402 PolarHBondContact N-O 2.85Å; R338-Q402 PolarHBondContact O-N 3.12Å; R338-I404 HydrophobicContact CB-CD1 3.74Å; R338-I404 HydrophobicContact CB-CG1 3.83Å; R338-I502 PolarHBondContact NH1-O 2.8Å
339	W	98.2	Very high	96.1	Very high	13 Å²	13	27.8 Å²	27.8	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.8	174.6	-72.8	70.5	0	0	0	109.1	V330 L341 L382 V383 L391 V393 H399 F400 V401	V330-W339 HydrophobicContact CB-CZ2 4.3Å; V330-W339 HydrophobicContact CG1-CZ2 3.89Å; V330-W339 HydrophobicContact CG2-CH2 3.76Å; V330-W339 HydrophobicContact CG2-CZ2 3.88Å; W339-L341 HydrophobicContact CB-CD1 3.98Å; W339-L341 HydrophobicContact CE3-CD2 4.44Å; W339-L382 WeakPolarHBondContact O-CA 3.41Å; W339-V383 HydrophobicContact CB-CG1 3.95Å; W339-V383 PolarHBondContact N-O 2.97Å; W339-V383 PolarHBondContact O-N 3.22Å; W339-L391 HydrophobicContact CB-CD2 4.15Å; W339-L391 HydrophobicContact CD2-CD2 3.37Å; W339-L391 HydrophobicContact CE3-CD2 3.5Å; W339-L391 VanDerWaalsContact CE3-CD2 3.5Å; W339-L391 HydrophobicContact CG-CD2 3.66Å; W339-L391 HydrophobicContact CZ2-CD2 4.47Å; W339-L391 HydrophobicContact CZ3-CD2 4.11Å; W339-V393 HydrophobicContact CE3-CG2 4.37Å; W339-V393 HydrophobicContact CZ3-CG2 3.94Å; W339-H399 HydrophobicContact CE3-CB 3.99Å; W339-H399 HydrophobicContact CZ3-CB 4.02Å; W339-H399 AromaticContact CZ3-CD2 3.5Å; W339-H399 VanDerWaalsContact CZ3-CD2 3.5Å; W339-H399 WeakPolarHBondContact CZ3-CD2 3.35Å; W339-H399 AromaticContact CZ3-CG 3.85Å; W339-F400 WeakPolarHBondContact CA-O 3.34Å; W339-V401 HydrophobicContact CD2-CG1 4.28Å; W339-V401 HydrophobicContact CD2-CG2 3.68Å; W339-V401 HydrophobicContact CE3-CG2 3.64Å; W339-V401 HydrophobicContact CG-CG2 4.44Å; W339-V401 HydrophobicContact CH2-CG2 3.63Å; W339-V401 HydrophobicContact CZ2-CG1 3.98Å; W339-V401 HydrophobicContact CZ2-CG2 3.68Å; W339-V401 HydrophobicContact CZ3-CG2 3.62Å
340	I	97.6	Very high	96.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	109.7	170.7	-51.8	177.9	0	0	0	105.6	R338 F342 P380 R381 L382 H399 F400 L499 V503	R338-I340 HydrophobicContact CG-CG1 4.49Å; I340-F342 HydrophobicContact CG2-CE2 3.66Å; I340-F342 HydrophobicContact CG2-CZ 3.85Å; I340-P380 HydrophobicContact CG2-CB 4.38Å; I340-R381 CarbonylContact C-O 3.57Å; I340-R381 WeakPolarHBondContact CA-O 3.45Å; I340-L382 HydrophobicContact CG1-CD1 4.14Å; I340-H399 CarbonylContact O-C 3.2Å; I340-H399 VanDerWaalsContact O-CA 3.26Å; I340-H399 WeakPolarHBondContact O-CA 3.47Å; I340-F400 HydrophobicContact CB-CB 4.38Å; I340-F400 HydrophobicContact CB-CD1 4.46Å; I340-F400 HydrophobicContact CD1-CD1 3.82Å; I340-F400 HydrophobicContact CD1-CE1 4.32Å; I340-F400 HydrophobicContact CG1-CD1 4.16Å; I340-F400 PolarHBondContact N-O 3.21Å; I340-F400 PolarHBondContact O-N 3.4Å; I340-L499 HydrophobicContact CD1-CD1 3.82Å; I340-L499 HydrophobicContact CG2-CD1 3.77Å; I340-V503 HydrophobicContact CD1-CG1 3.51Å
341	L	98.2	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.2	-178.3	-46.6	95.7	0	0	0	110.8	P188 W339 P380 R381 V383 V393 W397 W398 H399 V491	P188-L341 HydrophobicContact CB-CD2 4.1Å; P188-L341 HydrophobicContact CG-CD2 4.38Å; W339-L341 HydrophobicContact CB-CD1 3.98Å; W339-L341 HydrophobicContact CE3-CD2 4.44Å; L341-P380 CarbonylContact O-C 3.6Å; L341-P380 WeakPolarHBondContact O-CA 3.33Å; L341-R381 HydrophobicContact CB-CB 4.22Å; L341-R381 HydrophobicContact CD1-CB 4.4Å; L341-R381 PolarHBondContact N-O 3.13Å; L341-R381 PolarHBondContact O-N 3.2Å; L341-V383 HydrophobicContact CD1-CG1 4.48Å; L341-V393 HydrophobicContact CD2-CG1 4.09Å; L341-V393 HydrophobicContact CD2-CG2 4.13Å; L341-W397 HydrophobicContact CB-CE3 3.89Å; L341-W397 HydrophobicContact CB-CZ3 4.34Å; L341-W398 CarbonylContact C-O 3.51Å; L341-W398 WeakPolarHBondContact CA-O 3.32Å; L341-W398 WeakPolarHBondContact CB-O 3.45Å; L341-H399 HydrophobicContact CD2-CB 4.28Å; L341-H399 HydrophobicContact CG-CB 4.19Å; L341-V491 HydrophobicContact CD1-CG1 4.21Å
342	F	97.3	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.6	171.7	-53.8	-105.1	0	0	0	109.5	I340 D346 L350 L368 S378 P380 W398 L499	I340-F342 HydrophobicContact CG2-CE2 3.66Å; I340-F342 HydrophobicContact CG2-CZ 3.85Å; F342-D346 HydrophobicContact CB-CB 4.28Å; F342-L350 HydrophobicContact CB-CD1 3.68Å; F342-L350 HydrophobicContact CD2-CD1 4.27Å; F342-L350 HydrophobicContact CD2-CD2 4.36Å; F342-L350 HydrophobicContact CG-CD1 3.94Å; F342-L350 HydrophobicContact CG-CD2 4.37Å; F342-L368 HydrophobicContact CE2-CD1 3.89Å; F342-L368 HydrophobicContact CE2-CD2 4.27Å; F342-L368 HydrophobicContact CZ-CD1 4.35Å; F342-L368 HydrophobicContact CZ-CD2 3.97Å; F342-S378 WeakPolarHBondContact CE1-OG 3.37Å; F342-P380 HydrophobicContact CD1-CB 4.03Å; F342-P380 HydrophobicContact CE1-CB 3.61Å; F342-P380 HydrophobicContact CE1-CG 4.29Å; F342-P380 HydrophobicContact CZ-CB 4.06Å; F342-W398 HydrophobicContact CB-CB 3.99Å; F342-W398 HydrophobicContact CD2-CB 4.35Å; F342-W398 PolarHBondContact N-O 3.01Å; F342-W398 PolarHBondContact O-N 3.18Å; F342-L499 HydrophobicContact CZ-CD2 4.3Å
343	P	95.9	Very high	95.4	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.052	18%	0.175	C	C	.	.			trans	-66	153.8	178.9	31.7	-38.9	0	0	0	111.2	E345 D346 H379 W397	P343-E345 WeakPolarHBondContact CB-OE2 2.9Å; P343-E345 PolarHBondContact O-N 2.73Å; P343-E345 VanDerWaalsContact O-N 3.09Å; P343-D346 WeakPolarHBondContact CD-OD2 3.03Å; P343-D346 WeakPolarHBondContact O-CB 3.19Å; P343-D346 PolarHBondContact O-N 3.03Å; P343-H379 WeakPolarHBondContact CD-O 3.12Å; P343-H379 HydrophobicContact CG-CB 3.94Å; P343-W397 HydrophobicContact CB-CE3 4.43Å; P343-W397 HydrophobicContact CB-CH2 3.62Å; P343-W397 HydrophobicContact CB-CZ2 3.85Å; P343-W397 HydrophobicContact CB-CZ3 3.92Å; P343-W397 HydrophobicContact CG-CH2 4.48Å
344	P	93.8	Very high	95.2	Very high	38 Å²	38	34.2 Å²	34.2	25%	0.247	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-55.1	-26.7	179	-26	34.6	0	0	0	114.3	D346 S347 R396	P344-D346 PolarHBondContact O-N 3.34Å; P344-S347 VanDerWaalsContact O-CB 3.24Å; P344-S347 WeakPolarHBondContact O-CB 3.12Å; P344-S347 PolarHBondContact O-N 3.32Å; P344-S347 VanDerWaalsContact O-N 3.08Å; P344-S347 PolarHBondContact O-OG 2.83Å; P344-R396 HydrophobicContact CG-CB 4.23Å
345	E	92.5	Very high	94.9	Very high	145 Å²	145	33 Å²	33	68%	0.678	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-62.2	-21.8	176.1	-66	75.8	-170.7	0	0	112.9	P343 S347	P343-E345 WeakPolarHBondContact CB-OE2 2.9Å; P343-E345 PolarHBondContact O-N 2.73Å; P343-E345 VanDerWaalsContact O-N 3.09Å; E345-S347 VanDerWaalsContact C-N 3.28Å; E345-S347 PolarHBondContact O-N 3.16Å
346	D	94.8	Very high	94.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-84.9	3.8	176.2	-69.7	-19.7	0	0	0	113.2	F342 P343 P344 D348 L349 L350 S378 H379	F342-D346 HydrophobicContact CB-CB 4.28Å; P343-D346 WeakPolarHBondContact CD-OD2 3.03Å; P343-D346 WeakPolarHBondContact O-CB 3.19Å; P343-D346 PolarHBondContact O-N 3.03Å; P344-D346 PolarHBondContact O-N 3.34Å; D346-D348 VanDerWaalsContact C-N 3.26Å; D346-D348 PolarHBondContact O-N 3.39Å; D346-D348 VanDerWaalsContact O-N 3.16Å; D346-L349 WeakPolarHBondContact O-CB 3.37Å; D346-L349 PolarHBondContact O-N 2.86Å; D346-L350 HydrophobicContact CB-CD1 4.24Å; D346-L350 PolarHBondContact O-N 3.43Å; D346-L350 VanDerWaalsContact O-N 3.14Å; D346-S378 WeakPolarHBondContact OD2-CA 3.48Å; D346-S378 WeakPolarHBondContact OD2-CB 3Å; D346-H379 IonicContact OD1-CE1 3Å; D346-H379 IonicContact OD1-CG 3.01Å; D346-H379 IonicContact OD1-ND1 3.96Å; D346-H379 PolarHBondContact OD1-ND1 2.74Å; D346-H379 PolarHBondContact OD2-N 3.21Å; D346-H379 IonicContact OD2-ND1 3.9Å
347	S	94.2	Very high	94.2	Very high	34 Å²	34	29.8 Å²	29.8	24%	0.238	15%	0.152	C	C	.	.	H	α-helix	trans	-55	-37.3	-174.6	-66.6	0	0	0	0	114	P344 E345 L349 L350 K351 W398	P344-S347 VanDerWaalsContact O-CB 3.24Å; P344-S347 WeakPolarHBondContact O-CB 3.12Å; P344-S347 PolarHBondContact O-N 3.32Å; P344-S347 VanDerWaalsContact O-N 3.08Å; P344-S347 PolarHBondContact O-OG 2.83Å; E345-S347 VanDerWaalsContact C-N 3.28Å; E345-S347 PolarHBondContact O-N 3.16Å; S347-L349 VanDerWaalsContact C-N 3.25Å; S347-L349 PolarHBondContact O-N 3.36Å; S347-L350 PolarHBondContact O-N 3.48Å; S347-K351 PolarHBondContact O-N 3Å; S347-W398 PolarHBondContact OG-NE1 2.84Å
348	D	91.2	Very high	93.8	Very high	148 Å²	148	31.8 Å²	31.8	79%	0.791	16%	0.161	S	C	*	.	H	α-helix	trans	-65.1	-30.5	178.3	-74.6	-17.1	0	0	0	112.2	D346	D346-D348 VanDerWaalsContact C-N 3.26Å; D346-D348 PolarHBondContact O-N 3.39Å; D346-D348 VanDerWaalsContact O-N 3.16Å
349	L	93.1	Very high	93.1	Very high	42 Å²	42	29.7 Å²	29.7	22%	0.22	15%	0.154	C	C	.	.	H	α-helix	trans	-79.1	-33.7	176.9	-60.6	174.4	0	0	0	111.5	D346 S347 K351 Y374 L375 F377	D346-L349 WeakPolarHBondContact O-CB 3.37Å; D346-L349 PolarHBondContact O-N 2.86Å; S347-L349 VanDerWaalsContact C-N 3.25Å; S347-L349 PolarHBondContact O-N 3.36Å; L349-K351 VanDerWaalsContact C-N 3.31Å; L349-K351 PolarHBondContact O-N 3.16Å; L349-Y374 VanDerWaalsContact O-CE2 3.26Å; L349-Y374 WeakPolarHBondContact O-CE2 3.46Å; L349-L375 HydrophobicContact CB-CD2 4.21Å; L349-F377 HydrophobicContact CD1-CB 4.11Å
350	L	94.6	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-82.3	-7.2	-174.3	-68.6	168.3	0	0	0	114.1	F342 D346 S347 G352 S364 G365 L375 W398	F342-L350 HydrophobicContact CB-CD1 3.68Å; F342-L350 HydrophobicContact CD2-CD1 4.27Å; F342-L350 HydrophobicContact CD2-CD2 4.36Å; F342-L350 HydrophobicContact CG-CD1 3.94Å; F342-L350 HydrophobicContact CG-CD2 4.37Å; D346-L350 HydrophobicContact CB-CD1 4.24Å; D346-L350 PolarHBondContact O-N 3.43Å; D346-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 PolarHBondContact O-N 3.48Å; L350-G352 PolarHBondContact O-N 3.48Å; L350-S364 WeakPolarHBondContact O-CA 3.42Å; L350-S364 WeakPolarHBondContact O-CB 3.4Å; L350-S364 PolarHBondContact O-OG 3.18Å; L350-G365 PolarHBondContact O-N 2.85Å; L350-G365 VanDerWaalsContact O-N 3.09Å; L350-L375 HydrophobicContact CD2-CD2 4.05Å; L350-W398 HydrophobicContact CB-CD2 4.16Å; L350-W398 HydrophobicContact CB-CE3 4.3Å; L350-W398 HydrophobicContact CB-CZ2 4.33Å; L350-W398 HydrophobicContact CB-CZ3 4.48Å; L350-W398 HydrophobicContact CD1-CB 3.64Å; L350-W398 HydrophobicContact CD1-CD2 3.47Å; L350-W398 VanDerWaalsContact CD1-CD2 3.47Å; L350-W398 HydrophobicContact CD1-CE3 4.16Å; L350-W398 HydrophobicContact CD1-CG 3.2Å; L350-W398 HydrophobicContact CG-CD2 4.45Å
351	K	91.5	Very high	92.3	Very high	114 Å²	114	30.4 Å²	30.4	50%	0.496	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	56.4	173.6	-59.5	177	177.9	175.5	0	112.1	S347 L349 G365 Y374	S347-K351 PolarHBondContact O-N 3Å; L349-K351 VanDerWaalsContact C-N 3.31Å; L349-K351 PolarHBondContact O-N 3.16Å; K351-G365 PolarHBondContact O-N 3.1Å; K351-G365 VanDerWaalsContact O-N 3.11Å; K351-Y374 WeakPolarHBondContact CE-OH 3.38Å; K351-Y374 PolarHBondContact NZ-OH 2.86Å
352	G	94.4	Very high	92.1	Very high	10 Å²	10	30.4 Å²	30.4	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.1	-178.3	0	0	0	0	0	114.6	L350 Y363 W398 S530 P531	L350-G352 PolarHBondContact O-N 3.48Å; G352-Y363 CarbonylContact C-O 3.5Å; G352-Y363 WeakPolarHBondContact CA-O 3.17Å; G352-W398 VanDerWaalsContact CA-CH2 3.46Å; G352-S530 WeakPolarHBondContact O-CB 3.33Å; G352-P531 VanDerWaalsContact O-CD 3.28Å; G352-P531 WeakPolarHBondContact O-CD 3.46Å
353	S	93.7	Very high	92	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.1	171.5	-162.4	0	0	0	0	111.6	L355 Y363 S526	S353-L355 PolarHBondContact O-N 3.3Å; S353-L355 PolarHBondContact OG-N 2.84Å; S353-Y363 PolarHBondContact N-O 2.71Å; S353-Y363 PolarHBondContact O-N 2.9Å; S353-S526 VanDerWaalsContact OG-CA 3.26Å; S353-S526 WeakPolarHBondContact OG-CA 3.45Å; S353-S526 PolarHBondContact OG-O 2.88Å
354	H	93.3	Very high	91.9	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.028	16%	0.159	C	C	.	.	S	Bend	trans	-80.1	17.8	166.3	-59.3	81.2	0	0	0	112	P356 F357 V362 T429 L529	H354-P356 CarbonylContact C-O 3.47Å; H354-P356 CarbonylContact O-C 3.58Å; H354-P356 VanDerWaalsContact O-C 3.29Å; H354-F357 HydrophobicContact CB-CD2 4.47Å; H354-F357 WeakPolarHBondContact O-CA 3.44Å; H354-F357 WeakPolarHBondContact O-CB 3.39Å; H354-F357 PolarHBondContact O-N 3.07Å; H354-V362 WeakPolarHBondContact NE2-CG2 2.98Å; H354-T429 HydrophobicContact CB-CG2 3.49Å; H354-T429 VanDerWaalsContact CB-CG2 3.49Å; H354-T429 PolarHBondContact CE1-OG1 3.28Å; H354-T429 VanDerWaalsContact CG-CG2 3.47Å; H354-T429 PolarHBondContact NE2-OG1 2.96Å; H354-L529 HydrophobicContact CB-CB 4.48Å; H354-L529 PolarHBondContact N-O 2.82Å; H354-L529 PolarHBondContact ND1-O 3.26Å
355	L	89.9	Confident	91.7	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	17%	0.165	C	C	.	.			trans	-110.9	132.8	167.3	-71	-177.2	0	0	0	109.9	S353 F357 I433 I440 L444 L525 L529	S353-L355 PolarHBondContact O-N 3.3Å; S353-L355 PolarHBondContact OG-N 2.84Å; L355-F357 HydrophobicContact CD2-CB 4.38Å; L355-I433 HydrophobicContact CD2-CD1 3.86Å; L355-I440 HydrophobicContact CD2-CG2 4.06Å; L355-L444 HydrophobicContact CD1-CD1 4.45Å; L355-L444 HydrophobicContact CD2-CB 4.32Å; L355-L525 HydrophobicContact CD1-CB 3.8Å; L355-L529 HydrophobicContact CD1-CD1 3.67Å; L355-L529 HydrophobicContact CD2-CD1 3.85Å; L355-L529 HydrophobicContact CG-CD1 3.53Å
356	P	90.1	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	S	Bend	cis	-60.1	147.2	-8.3	27.8	-35.1	0	0	0	112.3	Y234 T236 H354 E358 Y363 L444	Y234-P356 HydrophobicContact CD1-CG 3.95Å; Y234-P356 HydrophobicContact CD2-CG 4.07Å; Y234-P356 HydrophobicContact CG-CG 3.64Å; T236-P356 HydrophobicContact CG2-CB 3.8Å; T236-P356 HydrophobicContact CG2-CG 4.46Å; H354-P356 CarbonylContact C-O 3.47Å; H354-P356 CarbonylContact O-C 3.58Å; H354-P356 VanDerWaalsContact O-C 3.29Å; P356-E358 PolarHBondContact O-N 3.48Å; P356-Y363 HydrophobicContact CG-CD2 3.89Å; P356-Y363 HydrophobicContact CG-CE2 4Å; P356-Y363 HydrophobicContact CG-CG 4.3Å; P356-Y363 WeakPolarHBondContact O-CD2 3.37Å; P356-L444 CarbonylContact C-O 3.46Å; P356-L444 VanDerWaalsContact CA-O 3.29Å; P356-L444 WeakPolarHBondContact CA-O 2.92Å; P356-L444 HydrophobicContact CB-CD2 4.2Å
357	F	90.4	Very high	91.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-81.2	105.3	-177.8	-177.1	-102.8	0	0	0	110.5	H354 L355 E359 T429 R430 I433 L444 I446 I450	H354-F357 HydrophobicContact CB-CD2 4.47Å; H354-F357 WeakPolarHBondContact O-CA 3.44Å; H354-F357 WeakPolarHBondContact O-CB 3.39Å; H354-F357 PolarHBondContact O-N 3.07Å; L355-F357 HydrophobicContact CD2-CB 4.38Å; F357-E359 HydrophobicContact CZ-CB 4.23Å; F357-T429 HydrophobicContact CD2-CG2 3.86Å; F357-T429 HydrophobicContact CE2-CG2 3.58Å; F357-R430 HydrophobicContact CZ-CB 4.17Å; F357-R430 HydrophobicContact CZ-CG 4.27Å; F357-I433 HydrophobicContact CB-CD1 3.9Å; F357-I433 HydrophobicContact CB-CG1 4.2Å; F357-I433 HydrophobicContact CB-CG2 4.47Å; F357-I433 HydrophobicContact CD1-CG1 4.44Å; F357-I433 HydrophobicContact CD1-CG2 4.18Å; F357-I433 HydrophobicContact CD2-CD1 4.09Å; F357-I433 HydrophobicContact CD2-CG1 3.63Å; F357-I433 HydrophobicContact CE2-CG1 4.11Å; F357-I433 HydrophobicContact CG-CB 4.49Å; F357-I433 HydrophobicContact CG-CD1 4.07Å; F357-I433 HydrophobicContact CG-CG1 3.8Å; F357-I433 HydrophobicContact CG-CG2 4.2Å; F357-L444 PolarHBondContact N-O 3.45Å; F357-I446 PolarHBondContact O-N 2.88Å; F357-I446 VanDerWaalsContact O-N 3.08Å; F357-I450 HydrophobicContact CD1-CD1 3.36Å; F357-I450 HydrophobicContact CE1-CD1 3.3Å; F357-I450 HydrophobicContact CE1-CG1 4.36Å; F357-I450 HydrophobicContact CZ-CD1 4.43Å
358	E	87.5	Confident	91	Very high	43 Å²	43	22 Å²	22	20%	0.201	12%	0.124	C	C	.	.			trans	-124.5	116.4	162.5	-170.3	169.7	-153.5	0	0	107.4	P356 S360 S361 Y363 I446	P356-E358 PolarHBondContact O-N 3.48Å; E358-S360 PolarHBondContact O-N 3.4Å; E358-S361 PolarHBondContact O-N 2.96Å; E358-S361 VanDerWaalsContact O-N 3.14Å; E358-Y363 HydrophobicContact CB-CE2 4.09Å; E358-Y363 PolarHBondContact OE2-OH 3.44Å; E358-I446 HydrophobicContact CB-CD1 3.57Å; E358-I446 HydrophobicContact CB-CG1 4.42Å; E358-I446 HydrophobicContact CG-CD1 3.74Å
359	E	82.5	Confident	90.8	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.028	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.4	175.6	-176.9	-166.9	116.3	0	0	109.8	P128 G129 K131 F357 R430 E447	P128-E359 WeakPolarHBondContact CA-OE1 3.5Å; P128-E359 HydrophobicContact CB-CG 4.2Å; G129-E359 PolarHBondContact N-OE1 3.36Å; K131-E359 VanDerWaalsContact CE-CD 3.41Å; K131-E359 WeakPolarHBondContact CE-OE1 3.24Å; K131-E359 VanDerWaalsContact CE-OE2 3.31Å; K131-E359 WeakPolarHBondContact CE-OE2 3.36Å; K131-E359 IonicContact NZ-OE1 2.99Å; K131-E359 IonicContact NZ-OE2 3.93Å; F357-E359 HydrophobicContact CZ-CB 4.23Å; E359-R430 IonicContact OE2-CZ 3.18Å; E359-R430 IonicContact OE2-NH1 2.7Å; E359-R430 PolarHBondContact OE2-NH1 2.96Å; E359-E447 WeakPolarHBondContact CB-OE1 3.31Å
360	S	86.5	Confident	90.3	Very high	17 Å²	17	14.7 Å²	14.7	12%	0.119	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-1.3	-174.5	-30.9	0	0	0	0	115.2	D323 T324 Y325 E358 E426	D323-S360 WeakPolarHBondContact CA-O 3.08Å; T324-S360 PolarHBondContact N-O 3.07Å; T324-S360 VanDerWaalsContact OG1-CA 3.28Å; T324-S360 WeakPolarHBondContact OG1-CA 3.21Å; Y325-S360 VanDerWaalsContact CE2-OG 3.29Å; Y325-S360 WeakPolarHBondContact CE2-OG 3.34Å; E358-S360 PolarHBondContact O-N 3.4Å; S360-E426 WeakPolarHBondContact CA-OE1 3.49Å; S360-E426 PolarHBondContact N-OE1 3.33Å; S360-E426 VanDerWaalsContact N-OE1 3.11Å
361	S	92.3	Very high	90	Very high	11 Å²	11	15.2 Å²	15.2	8%	0.077	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137	-176.6	-59.1	0	0	0	0	112.3	E358	E358-S361 PolarHBondContact O-N 2.96Å; E358-S361 VanDerWaalsContact O-N 3.14Å
362	V	94.9	Very high	89.7	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.5	166.8	173.8	0	0	0	0	109.2	H321 Y322 T324 H354 W398 P531	H321-V362 CarbonylContact C-O 3.29Å; H321-V362 WeakPolarHBondContact CA-O 3.46Å; H321-V362 WeakPolarHBondContact CB-O 3.24Å; Y322-V362 HydrophobicContact CD1-CB 3.98Å; Y322-V362 HydrophobicContact CD1-CG1 4.23Å; Y322-V362 HydrophobicContact CD2-CB 4.45Å; Y322-V362 HydrophobicContact CE1-CB 3.5Å; Y322-V362 VanDerWaalsContact CE1-CB 3.5Å; Y322-V362 HydrophobicContact CE1-CG1 3.52Å; Y322-V362 HydrophobicContact CE1-CG2 4.16Å; Y322-V362 HydrophobicContact CE2-CB 4Å; Y322-V362 HydrophobicContact CE2-CG2 4.01Å; Y322-V362 HydrophobicContact CG-CB 4.44Å; Y322-V362 VanDerWaalsContact CZ-CB 3.48Å; Y322-V362 PolarHBondContact N-O 2.74Å; Y322-V362 PolarHBondContact O-N 3.33Å; Y322-V362 VanDerWaalsContact O-N 3.08Å; Y322-V362 WeakPolarHBondContact OH-CG2 3.31Å; T324-V362 HydrophobicContact CG2-CG2 3.79Å; H354-V362 WeakPolarHBondContact NE2-CG2 2.98Å; V362-W398 HydrophobicContact CG1-CH2 3.94Å; V362-W398 HydrophobicContact CG1-CZ3 4.34Å; V362-P531 HydrophobicContact CG1-CG 3.67Å; V362-P531 HydrophobicContact CG2-CG 4.42Å
363	Y	95.1	Very high	89.3	Confident	3 Å²	3	13.4 Å²	13.4	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.3	-175	-71.7	-81.6	0	0	0	112	Y234 E235 A319 H321 G352 S353 P356 E358	Y234-Y363 AromaticContact CD1-CD1 3.87Å; Y234-Y363 HydrophobicContact CD1-CD1 3.87Å; Y234-Y363 HydrophobicContact CD1-CE1 4.44Å; Y234-Y363 HydrophobicContact CD1-CG 4.22Å; Y234-Y363 HydrophobicContact CE1-CD1 4.14Å; Y234-Y363 HydrophobicContact CE1-CG 4.24Å; E235-Y363 WeakPolarHBondContact OE2-CE1 3.2Å; E235-Y363 PolarHBondContact OE2-OH 2.99Å; A319-Y363 HydrophobicContact CB-CD1 4.3Å; A319-Y363 HydrophobicContact CB-CE1 4.4Å; H321-Y363 HydrophobicContact CB-CD1 3.76Å; H321-Y363 HydrophobicContact CB-CE1 4.01Å; H321-Y363 HydrophobicContact CB-CG 4.25Å; G352-Y363 CarbonylContact C-O 3.5Å; G352-Y363 WeakPolarHBondContact CA-O 3.17Å; S353-Y363 PolarHBondContact N-O 2.71Å; S353-Y363 PolarHBondContact O-N 2.9Å; P356-Y363 HydrophobicContact CG-CD2 3.89Å; P356-Y363 HydrophobicContact CG-CE2 4Å; P356-Y363 HydrophobicContact CG-CG 4.3Å; P356-Y363 WeakPolarHBondContact O-CD2 3.37Å; E358-Y363 HydrophobicContact CB-CE2 4.09Å; E358-Y363 PolarHBondContact OE2-OH 3.44Å
364	S	94.4	Very high	89.1	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.5	171.8	175	0	0	0	0	110.1	I232 Y234 C320 L350 C366	I232-S364 WeakPolarHBondContact CD1-O 3.28Å; Y234-S364 PolarHBondContact OH-O 2.67Å; C320-S364 WeakPolarHBondContact O-CB 3.39Å; C320-S364 PolarHBondContact O-N 3.24Å; L350-S364 WeakPolarHBondContact O-CA 3.42Å; L350-S364 WeakPolarHBondContact O-CB 3.4Å; L350-S364 PolarHBondContact O-OG 3.18Å; S364-C366 PolarHBondContact O-N 3.17Å; S364-C366 WeakPolarHBondContact OG-CB 3.1Å; S364-C366 PolarHBondContact OG-N 2.93Å; S364-C366 VanDerWaalsContact OG-N 3.15Å
365	G	89.8	Confident	89	Confident	36 Å²	36	16.1 Å²	16.1	37%	0.371	9%	0.093	S	C	.	.	S	Bend	trans	-77.7	19.1	169	0	0	0	0	0	114.4	L350 K351	L350-G365 PolarHBondContact O-N 2.85Å; L350-G365 VanDerWaalsContact O-N 3.09Å; K351-G365 PolarHBondContact O-N 3.1Å; K351-G365 VanDerWaalsContact O-N 3.11Å
366	C	88.7	Confident	89.1	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.02	11%	0.113	C	C	.	.			trans	-107	127.8	179.3	-64.4	0	0	0	0	112.3	I232 S364 L368 L375	I232-C366 VanDerWaalsContact CD1-C 3.47Å; S364-C366 PolarHBondContact O-N 3.17Å; S364-C366 WeakPolarHBondContact OG-CB 3.1Å; S364-C366 PolarHBondContact OG-N 2.93Å; S364-C366 VanDerWaalsContact OG-N 3.15Å; C366-L368 PolarHBondContact O-N 2.85Å; C366-L375 HydrophobicContact CB-CD1 4.39Å
367	D	87.5	Confident	89.3	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.037	14%	0.142	C	C	.	.			trans	-76.7	106.7	166.8	-179.9	-0.8	0	0	0	109.5	Y226 G230 I232 F369 H370	Y226-D367 WeakPolarHBondContact CE1-OD2 3.25Å; Y226-D367 VanDerWaalsContact OH-CG 3.24Å; Y226-D367 PolarHBondContact OH-OD1 3.02Å; Y226-D367 PolarHBondContact OH-OD2 2.84Å; G230-D367 PolarHBondContact N-OD2 3.42Å; I232-D367 HydrophobicContact CG1-CB 4Å; D367-F369 VanDerWaalsContact C-N 3.34Å; D367-F369 WeakPolarHBondContact OD1-CB 3.44Å; D367-F369 PolarHBondContact OD1-N 2.84Å; D367-H370 CarbonylContact O-C 3.55Å; D367-H370 PolarHBondContact O-N 3.33Å; D367-H370 PolarHBondContact OD1-N 3.32Å; D367-H370 IonicContact OD1-ND1 2.67Å; D367-H370 IonicContact OD2-CE1 3.58Å; D367-H370 IonicContact OD2-CG 3.12Å; D367-H370 IonicContact OD2-ND1 3.31Å; D367-H370 PolarHBondContact OD2-ND1 2.63Å
368	L	89.2	Confident	89.5	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.2	178.9	-69.8	-174.8	0	0	0	114.2	C320 F342 C366 P371 L375 F400 V503	C320-L368 HydrophobicContact CB-CD1 3.73Å; C320-L368 HydrophobicContact CB-CG 4.27Å; F342-L368 HydrophobicContact CE2-CD1 3.89Å; F342-L368 HydrophobicContact CE2-CD2 4.27Å; F342-L368 HydrophobicContact CZ-CD1 4.35Å; F342-L368 HydrophobicContact CZ-CD2 3.97Å; C366-L368 PolarHBondContact O-N 2.85Å; L368-P371 WeakPolarHBondContact O-CD 3.15Å; L368-P371 WeakPolarHBondContact O-CG 3.38Å; L368-L375 HydrophobicContact CD2-CD1 3.73Å; L368-F400 HydrophobicContact CB-CD2 4.4Å; L368-F400 HydrophobicContact CB-CG 4.49Å; L368-F400 HydrophobicContact CD1-CB 3.38Å; L368-F400 HydrophobicContact CD1-CD1 4.42Å; L368-F400 HydrophobicContact CD1-CD2 4.14Å; L368-F400 HydrophobicContact CD1-CG 3.74Å; L368-V503 VanDerWaalsContact O-CB 3.25Å; L368-V503 WeakPolarHBondContact O-CB 3.45Å; L368-V503 WeakPolarHBondContact O-CG1 3.41Å; L368-V503 WeakPolarHBondContact O-CG2 3.32Å
369	F	86.6	Confident	89.9	Confident	13 Å²	13	30.5 Å²	30.5	6%	0.057	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.1	165.2	-65.2	-59.3	0	0	0	111.6	Y226 F317 D367 F400 H505	Y226-F369 HydrophobicContact CD1-CB 4.32Å; Y226-F369 HydrophobicContact CD1-CD2 4.49Å; Y226-F369 HydrophobicContact CD2-CD2 4.38Å; Y226-F369 HydrophobicContact CE1-CB 4.21Å; Y226-F369 HydrophobicContact CE1-CD2 4.37Å; Y226-F369 HydrophobicContact CE2-CD2 4.25Å; Y226-F369 HydrophobicContact CG-CD2 4.47Å; F317-F369 HydrophobicContact CB-CZ 4.37Å; F317-F369 AromaticContact CD1-CE2 3.78Å; F317-F369 HydrophobicContact CD1-CE2 3.78Å; F317-F369 AromaticContact CD1-CZ 3.62Å; F317-F369 HydrophobicContact CD1-CZ 3.62Å; F317-F369 AromaticContact CD2-CE2 3.96Å; F317-F369 HydrophobicContact CD2-CE2 3.96Å; F317-F369 HydrophobicContact CD2-CZ 4.2Å; F317-F369 AromaticContact CE1-CE2 3.55Å; F317-F369 HydrophobicContact CE1-CE2 3.55Å; F317-F369 AromaticContact CE1-CZ 3.86Å; F317-F369 HydrophobicContact CE1-CZ 3.86Å; F317-F369 AromaticContact CE2-CE2 3.76Å; F317-F369 HydrophobicContact CE2-CE2 3.76Å; F317-F369 HydrophobicContact CE2-CZ 4.42Å; F317-F369 AromaticContact CG-CE2 3.98Å; F317-F369 HydrophobicContact CG-CE2 3.98Å; F317-F369 AromaticContact CG-CZ 3.8Å; F317-F369 HydrophobicContact CG-CZ 3.8Å; F317-F369 AromaticContact CZ-CE2 3.54Å; F317-F369 HydrophobicContact CZ-CE2 3.54Å; F317-F369 HydrophobicContact CZ-CZ 4.25Å; D367-F369 VanDerWaalsContact C-N 3.34Å; D367-F369 WeakPolarHBondContact OD1-CB 3.44Å; D367-F369 PolarHBondContact OD1-N 2.84Å; F369-F400 AromaticContact CE1-CZ 3.79Å; F369-F400 HydrophobicContact CE1-CZ 3.79Å; F369-F400 HydrophobicContact CE2-CE2 4.25Å; F369-F400 HydrophobicContact CE2-CZ 4.11Å; F369-F400 HydrophobicContact CZ-CE2 4.13Å; F369-F400 AromaticContact CZ-CZ 3.55Å; F369-F400 HydrophobicContact CZ-CZ 3.55Å; F369-H505 AromaticContact CD1-CE1 3.62Å; F369-H505 AromaticContact CD1-ND1 3.2Å; F369-H505 WeakPolarHBondContact CD1-ND1 3.24Å; F369-H505 AromaticContact CE1-CE1 3.17Å; F369-H505 WeakPolarHBondContact CE1-CE1 3.3Å; F369-H505 AromaticContact CE1-ND1 3.28Å; F369-H505 VanDerWaalsContact CE1-ND1 3.28Å; F369-H505 WeakPolarHBondContact CE1-ND1 3.18Å; F369-H505 AromaticContact CZ-CE1 3.8Å
370	H	83.9	Confident	90.6	Very high	23 Å²	23	30.3 Å²	30.3	11%	0.106	15%	0.153	C	C	.	.	S	Bend	trans	-130.3	67.9	172.7	-56.5	97.8	0	0	0	111.2	Y226 D367 P372	Y226-H370 AromaticContact CD1-CE1 3.62Å; Y226-H370 AromaticContact CE1-CE1 3.53Å; Y226-H370 AromaticContact CE1-ND1 3.61Å; D367-H370 CarbonylContact O-C 3.55Å; D367-H370 PolarHBondContact O-N 3.33Å; D367-H370 PolarHBondContact OD1-N 3.32Å; D367-H370 IonicContact OD1-ND1 2.67Å; D367-H370 IonicContact OD2-CE1 3.58Å; D367-H370 IonicContact OD2-CG 3.12Å; D367-H370 IonicContact OD2-ND1 3.31Å; D367-H370 PolarHBondContact OD2-ND1 2.63Å; H370-P372 VanDerWaalsContact O-CD 3.24Å; H370-P372 WeakPolarHBondContact O-CD 3.42Å; H370-P372 VanDerWaalsContact O-N 3.08Å
371	P	87.4	Confident	91.1	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.065	15%	0.153	C	C	.	.			trans	-53.4	116.8	-172	-25.9	34.2	0	0	0	111.8	L368 L375 Y496 L499 V503	L368-P371 WeakPolarHBondContact O-CD 3.15Å; L368-P371 WeakPolarHBondContact O-CG 3.38Å; P371-L375 HydrophobicContact CB-CD1 4.14Å; P371-Y496 HydrophobicContact CB-CE2 3.86Å; P371-Y496 PolarHBondContact O-OH 2.91Å; P371-L499 HydrophobicContact CB-CD2 4.3Å; P371-L499 HydrophobicContact CG-CD2 4.35Å; P371-L499 HydrophobicContact CG-CG 4.31Å; P371-V503 HydrophobicContact CG-CG2 3.55Å
372	P	85.6	Confident	91.3	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	16%	0.155	C	C	.	.			trans	-58.6	147.4	178.4	-27	35.7	0	0	0	111.7	H370 Y374 L375 Y496	H370-P372 VanDerWaalsContact O-CD 3.24Å; H370-P372 WeakPolarHBondContact O-CD 3.42Å; H370-P372 VanDerWaalsContact O-N 3.08Å; P372-Y374 HydrophobicContact CB-CD1 3.73Å; P372-Y374 HydrophobicContact CB-CD2 4.38Å; P372-Y374 HydrophobicContact CB-CE1 3.19Å; P372-Y374 HydrophobicContact CB-CE2 3.92Å; P372-Y374 HydrophobicContact CB-CG 4.3Å; P372-Y374 HydrophobicContact CG-CE1 4.02Å; P372-Y374 HydrophobicContact CG-CE2 4.36Å; P372-Y374 WeakPolarHBondContact CG-OH 3.33Å; P372-Y374 PolarHBondContact O-N 2.56Å; P372-L375 WeakPolarHBondContact O-CB 3.46Å; P372-L375 PolarHBondContact O-N 3.43Å; P372-Y496 WeakPolarHBondContact O-CE2 3.35Å
373	V	87	Confident	91.4	Very high	72 Å²	72	32.5 Å²	32.5	44%	0.436	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.4	-30.1	-173.9	174.1	0	0	0	0	113.5	L375 R376	V373-L375 PolarHBondContact O-N 2.9Å; V373-R376 VanDerWaalsContact O-CB 3.28Å; V373-R376 WeakPolarHBondContact O-CB 3.2Å; V373-R376 VanDerWaalsContact O-CD 3.28Å; V373-R376 WeakPolarHBondContact O-CD 3.49Å; V373-R376 WeakPolarHBondContact O-CG 3.1Å; V373-R376 PolarHBondContact O-N 2.84Å; V373-R376 VanDerWaalsContact O-N 3.13Å
374	Y	88	Confident	91.5	Very high	69 Å²	69	34.8 Å²	34.8	27%	0.271	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-69.3	-17.6	177.7	56.1	-101.6	0	0	0	113.5	L349 K351 P372 R376 F377	L349-Y374 VanDerWaalsContact O-CE2 3.26Å; L349-Y374 WeakPolarHBondContact O-CE2 3.46Å; K351-Y374 WeakPolarHBondContact CE-OH 3.38Å; K351-Y374 PolarHBondContact NZ-OH 2.86Å; P372-Y374 HydrophobicContact CB-CD1 3.73Å; P372-Y374 HydrophobicContact CB-CD2 4.38Å; P372-Y374 HydrophobicContact CB-CE1 3.19Å; P372-Y374 HydrophobicContact CB-CE2 3.92Å; P372-Y374 HydrophobicContact CB-CG 4.3Å; P372-Y374 HydrophobicContact CG-CE1 4.02Å; P372-Y374 HydrophobicContact CG-CE2 4.36Å; P372-Y374 WeakPolarHBondContact CG-OH 3.33Å; P372-Y374 PolarHBondContact O-N 2.56Å; Y374-R376 PolarHBondContact O-N 3.01Å; Y374-R376 VanDerWaalsContact O-N 3.09Å; Y374-F377 VanDerWaalsContact O-CD2 3.32Å; Y374-F377 WeakPolarHBondContact O-CD2 3.32Å; Y374-F377 PolarHBondContact O-N 3.3Å; Y374-F377 VanDerWaalsContact O-N 3.13Å
375	L	91	Very high	91.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-66	-6.8	170.3	-64.7	-174.8	0	0	0	112.4	L349 L350 C366 L368 P371 P372 V373 F377 S378 Y496	L349-L375 HydrophobicContact CB-CD2 4.21Å; L350-L375 HydrophobicContact CD2-CD2 4.05Å; C366-L375 HydrophobicContact CB-CD1 4.39Å; L368-L375 HydrophobicContact CD2-CD1 3.73Å; P371-L375 HydrophobicContact CB-CD1 4.14Å; P372-L375 WeakPolarHBondContact O-CB 3.46Å; P372-L375 PolarHBondContact O-N 3.43Å; V373-L375 PolarHBondContact O-N 2.9Å; L375-F377 PolarHBondContact O-N 3.05Å; L375-F377 VanDerWaalsContact O-N 3.17Å; L375-S378 WeakPolarHBondContact O-CB 3.22Å; L375-S378 PolarHBondContact O-N 3.5Å; L375-S378 PolarHBondContact O-OG 2.79Å; L375-Y496 HydrophobicContact CB-CD2 4.16Å; L375-Y496 HydrophobicContact CB-CE2 4.13Å
376	R	92.5	Very high	92.1	Very high	118 Å²	118	37 Å²	37	45%	0.445	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-62.6	-15.8	167.9	84	-166.1	-26.2	147.8	18.7	114.9	V373 Y374 Y496	V373-R376 VanDerWaalsContact O-CB 3.28Å; V373-R376 WeakPolarHBondContact O-CB 3.2Å; V373-R376 VanDerWaalsContact O-CD 3.28Å; V373-R376 WeakPolarHBondContact O-CD 3.49Å; V373-R376 WeakPolarHBondContact O-CG 3.1Å; V373-R376 PolarHBondContact O-N 2.84Å; V373-R376 VanDerWaalsContact O-N 3.13Å; Y374-R376 PolarHBondContact O-N 3.01Å; Y374-R376 VanDerWaalsContact O-N 3.09Å; R376-Y496 HydrophobicContact CB-CD1 4Å; R376-Y496 HydrophobicContact CB-CD2 4.17Å; R376-Y496 HydrophobicContact CB-CG 3.77Å
377	F	93.9	Very high	92.5	Very high	141 Å²	141	39.1 Å²	39.1	62%	0.618	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-96.9	2.2	174.4	-54.1	-64.8	0	0	0	112.8	L349 Y374 L375 H379	L349-F377 HydrophobicContact CD1-CB 4.11Å; Y374-F377 VanDerWaalsContact O-CD2 3.32Å; Y374-F377 WeakPolarHBondContact O-CD2 3.32Å; Y374-F377 PolarHBondContact O-N 3.3Å; Y374-F377 VanDerWaalsContact O-N 3.13Å; L375-F377 PolarHBondContact O-N 3.05Å; L375-F377 VanDerWaalsContact O-N 3.17Å; F377-H379 PolarHBondContact O-CE1 2.7Å
378	S	95	Very high	92.9	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	19%	0.188	C	C	.	.	S	Bend	trans	-89.3	172.5	174.7	73.7	0	0	0	0	111.7	F342 D346 L375 P380	F342-S378 WeakPolarHBondContact CE1-OG 3.37Å; D346-S378 WeakPolarHBondContact OD2-CA 3.48Å; D346-S378 WeakPolarHBondContact OD2-CB 3Å; L375-S378 WeakPolarHBondContact O-CB 3.22Å; L375-S378 PolarHBondContact O-N 3.5Å; L375-S378 PolarHBondContact O-OG 2.79Å; S378-P380 WeakPolarHBondContact O-CD 3.37Å
379	H	96.3	Very high	93.3	Very high	82 Å²	82	39.1 Å²	39.1	38%	0.38	19%	0.19	S	C	.	.			trans	-124.3	56.2	-171.7	-53.4	85.3	0	0	0	112	P343 D346 F377 R381	P343-H379 WeakPolarHBondContact CD-O 3.12Å; P343-H379 HydrophobicContact CG-CB 3.94Å; D346-H379 IonicContact OD1-CE1 3Å; D346-H379 IonicContact OD1-CG 3.01Å; D346-H379 IonicContact OD1-ND1 3.96Å; D346-H379 PolarHBondContact OD1-ND1 2.74Å; D346-H379 PolarHBondContact OD2-N 3.21Å; D346-H379 IonicContact OD2-ND1 3.9Å; F377-H379 PolarHBondContact O-CE1 2.7Å; H379-R381 PolarHBondContact O-N 3.44Å; H379-R381 PolarHBondContact O-NH1 3.21Å
380	P	96.5	Very high	93.8	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.013	19%	0.187	C	C	.	.			trans	-60.9	135.8	-172.7	25	-33.3	0	0	0	112.2	I340 L341 F342 S378 Q493 V494 L499	I340-P380 HydrophobicContact CG2-CB 4.38Å; L341-P380 CarbonylContact O-C 3.6Å; L341-P380 WeakPolarHBondContact O-CA 3.33Å; F342-P380 HydrophobicContact CD1-CB 4.03Å; F342-P380 HydrophobicContact CE1-CB 3.61Å; F342-P380 HydrophobicContact CE1-CG 4.29Å; F342-P380 HydrophobicContact CZ-CB 4.06Å; S378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-Q493 CarbonylContact O-C 3.49Å; P380-Q493 VanDerWaalsContact O-CA 3.29Å; P380-Q493 WeakPolarHBondContact O-CA 3.38Å; P380-Q493 WeakPolarHBondContact O-CG 3.4Å; P380-V494 HydrophobicContact CB-CG2 4.02Å; P380-V494 HydrophobicContact CG-CG2 3.87Å; P380-V494 WeakPolarHBondContact CG-O 3.24Å; P380-V494 PolarHBondContact O-N 3.18Å; P380-L499 HydrophobicContact CB-CD2 4.49Å; P380-L499 HydrophobicContact CG-CD2 4.32Å
381	R	96.9	Very high	94.4	Very high	28 Å²	28	37.4 Å²	37.4	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	171.3	-58.9	-63.8	-172.1	-106.4	10.2	108.5	E187 P188 I340 L341 H379 W397 V491 P492 Q493	E187-R381 IonicContact OE1-NH2 3.4Å; E187-R381 PolarHBondContact OE1-NH2 3.43Å; E187-R381 VanDerWaalsContact OE1-NH2 3.12Å; E187-R381 IonicContact OE2-CZ 2.75Å; E187-R381 IonicContact OE2-NE 2.88Å; E187-R381 PolarHBondContact OE2-NE 2.89Å; E187-R381 IonicContact OE2-NH2 3.52Å; E187-R381 PolarHBondContact OE2-NH2 2.93Å; P188-R381 HydrophobicContact CG-CB 4.49Å; P188-R381 HydrophobicContact CG-CG 4.34Å; I340-R381 CarbonylContact C-O 3.57Å; I340-R381 WeakPolarHBondContact CA-O 3.45Å; L341-R381 HydrophobicContact CB-CB 4.22Å; L341-R381 HydrophobicContact CD1-CB 4.4Å; L341-R381 PolarHBondContact N-O 3.13Å; L341-R381 PolarHBondContact O-N 3.2Å; H379-R381 PolarHBondContact O-N 3.44Å; H379-R381 PolarHBondContact O-NH1 3.21Å; R381-W397 HydrophobicContact CB-CZ3 4.45Å; R381-W397 HydrophobicContact CG-CH2 4.05Å; R381-W397 HydrophobicContact CG-CZ3 3.62Å; R381-V491 HydrophobicContact CB-CB 4.23Å; R381-V491 HydrophobicContact CB-CG1 3.66Å; R381-V491 WeakPolarHBondContact CD-O 3.42Å; R381-P492 CarbonylContact C-O 3.56Å; R381-P492 VanDerWaalsContact CA-O 3.32Å; R381-P492 WeakPolarHBondContact CA-O 3.23Å; R381-Q493 VanDerWaalsContact NH1-CB 3.3Å
382	L	97	Very high	94.8	Very high	24 Å²	24	37 Å²	37	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.5	-176	-168.9	139.4	0	0	0	112.8	W339 I340 V491 P492 V494 I502	W339-L382 WeakPolarHBondContact O-CA 3.41Å; I340-L382 HydrophobicContact CG1-CD1 4.14Å; L382-V491 VanDerWaalsContact C-CG1 3.49Å; L382-V491 WeakPolarHBondContact O-CG1 3.07Å; L382-P492 PolarHBondContact N-O 3.46Å; L382-P492 WeakPolarHBondContact O-CD 3.32Å; L382-P492 WeakPolarHBondContact O-CG 3.49Å; L382-V494 HydrophobicContact CB-CG1 3.74Å; L382-V494 HydrophobicContact CB-CG2 4.06Å; L382-I502 HydrophobicContact CD1-CB 4.34Å; L382-I502 HydrophobicContact CD1-CD1 3.57Å; L382-I502 HydrophobicContact CD1-CG2 3.86Å; L382-I502 HydrophobicContact CD2-CD1 4.2Å; L382-I502 HydrophobicContact CG-CD1 4.5Å
383	V	97.2	Very high	95.3	Very high	22 Å²	22	36.4 Å²	36.4	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.5	169.7	64.1	0	0	0	0	111.6	V190 R338 W339 L341 L385 L391 V491	V190-V383 HydrophobicContact CG2-CB 4.44Å; V190-V383 HydrophobicContact CG2-CG1 4.18Å; V190-V383 HydrophobicContact CG2-CG2 3.84Å; R338-V383 WeakPolarHBondContact CA-O 3.29Å; W339-V383 HydrophobicContact CB-CG1 3.95Å; W339-V383 PolarHBondContact N-O 2.97Å; W339-V383 PolarHBondContact O-N 3.22Å; L341-V383 HydrophobicContact CD1-CG1 4.48Å; V383-L385 HydrophobicContact CG1-CD2 3.99Å; V383-L385 HydrophobicContact CG2-CD2 4.1Å; V383-L391 HydrophobicContact CG1-CD1 4.25Å; V383-V491 HydrophobicContact CB-CG1 3.93Å; V383-V491 HydrophobicContact CB-CG2 4.33Å; V383-V491 HydrophobicContact CG1-CG1 4.12Å; V383-V491 HydrophobicContact CG1-CG2 4.09Å
384	T	97.5	Very high	95.6	Very high	50 Å²	50	33.2 Å²	33.2	31%	0.307	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.5	164.7	-60.1	0	0	0	0	107.1	K336 K337	K336-T384 HydrophobicContact CB-CG2 4.01Å; K336-T384 HydrophobicContact CD-CG2 4.37Å; K337-T384 CarbonylContact O-C 3.52Å; K337-T384 WeakPolarHBondContact O-CA 3.28Å
385	L	98.1	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131	175.8	-55.5	-177.3	0	0	0	109.2	V190 V330 Q332 K336 K337 V383 D389 L391	V190-L385 HydrophobicContact CG1-CD2 4.24Å; V190-L385 HydrophobicContact CG2-CD2 3.71Å; V330-L385 HydrophobicContact CG1-CD1 4.39Å; Q332-L385 HydrophobicContact CB-CB 3.89Å; Q332-L385 HydrophobicContact CG-CB 4.03Å; K336-L385 WeakPolarHBondContact CA-O 3.38Å; K337-L385 PolarHBondContact N-O 3.19Å; K337-L385 PolarHBondContact O-N 3.39Å; V383-L385 HydrophobicContact CG1-CD2 3.99Å; V383-L385 HydrophobicContact CG2-CD2 4.1Å; L385-D389 HydrophobicContact CB-CB 4.39Å; L385-D389 HydrophobicContact CD2-CB 4.33Å; L385-L391 HydrophobicContact CD1-CB 3.68Å; L385-L391 HydrophobicContact CD1-CD2 4.12Å; L385-L391 HydrophobicContact CD2-CB 3.84Å; L385-L391 HydrophobicContact CG-CB 4.38Å
386	E	97.5	Very high	95.9	Very high	83 Å²	83	36 Å²	36	39%	0.388	17%	0.171	S	C	.	.			trans	-104.3	160.8	174	-57.4	-165.5	141.3	0	0	110.3	Q332 K336 G388 D389	Q332-E386 WeakPolarHBondContact CB-O 3.44Å; K336-E386 HydrophobicContact CD-CG 4.39Å; K336-E386 IonicContact NZ-OE1 3.78Å; K336-E386 PolarHBondContact NZ-OE1 3.16Å; E386-G388 PolarHBondContact O-N 2.95Å; E386-D389 PolarHBondContact N-OD2 2.99Å; E386-D389 VanDerWaalsContact O-CB 3.27Å; E386-D389 WeakPolarHBondContact O-CB 3.12Å; E386-D389 PolarHBondContact O-N 3.31Å
387	P	97.4	Very high	96.1	Very high	49 Å²	49	31 Å²	31	32%	0.318	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	126.7	176.6	-26.2	35.7	0	0	0	111.4	Q332 G335	Q332-P387 WeakPolarHBondContact O-CA 3.49Å; G335-P387 WeakPolarHBondContact O-CD 3.43Å; G335-P387 WeakPolarHBondContact O-CG 3.42Å
388	G	96.7	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	-14.4	-175.3	0	0	0	0	0	114.6	G193 M194 I195 E196 Q332 E386	G193-G388 CarbonylContact C-O 3.42Å; G193-G388 WeakPolarHBondContact CA-O 3.28Å; G193-G388 PolarHBondContact N-O 3.33Å; M194-G388 PolarHBondContact N-O 2.96Å; M194-G388 VanDerWaalsContact N-O 3.1Å; I195-G388 WeakPolarHBondContact CG1-O 3.48Å; E196-G388 WeakPolarHBondContact OE1-CA 3.03Å; Q332-G388 PolarHBondContact O-N 3.05Å; E386-G388 PolarHBondContact O-N 2.95Å
389	D	97.2	Very high	96.4	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.053	12%	0.121	C	C	.	.			trans	-80.3	146.6	178.8	-69.4	-17.2	0	0	0	112.1	V190 K192 Q332 L385 E386	V190-D389 HydrophobicContact CG1-CB 3.97Å; K192-D389 WeakPolarHBondContact CA-OD1 3.31Å; Q332-D389 PolarHBondContact N-O 3.42Å; L385-D389 HydrophobicContact CB-CB 4.39Å; L385-D389 HydrophobicContact CD2-CB 4.33Å; E386-D389 PolarHBondContact N-OD2 2.99Å; E386-D389 VanDerWaalsContact O-CB 3.27Å; E386-D389 WeakPolarHBondContact O-CB 3.12Å; E386-D389 PolarHBondContact O-N 3.31Å
390	I	96.6	Very high	96.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	162.9	-74.9	166.4	0	0	0	110.4	V190 L191 M194 I195 W295 F298 V330 A331	V190-I390 CarbonylContact C-O 3.59Å; V190-I390 VanDerWaalsContact CA-O 3.25Å; V190-I390 WeakPolarHBondContact CA-O 3.26Å; L191-I390 HydrophobicContact CB-CB 4.39Å; L191-I390 PolarHBondContact N-O 3.46Å; L191-I390 PolarHBondContact O-N 2.98Å; M194-I390 HydrophobicContact CB-CD1 4.31Å; I195-I390 HydrophobicContact CG2-CD1 3.31Å; I195-I390 HydrophobicContact CG2-CG1 3.92Å; W295-I390 HydrophobicContact CZ3-CD1 4.23Å; F298-I390 HydrophobicContact CD2-CD1 4.2Å; F298-I390 HydrophobicContact CE1-CD1 3.84Å; F298-I390 HydrophobicContact CE2-CD1 3.13Å; F298-I390 HydrophobicContact CZ-CD1 2.95Å; F298-I390 HydrophobicContact CZ-CG1 4.42Å; V330-I390 CarbonylContact O-C 3.5Å; V330-I390 WeakPolarHBondContact O-CA 3.38Å; A331-I390 HydrophobicContact CB-CG1 4Å
391	L	97.5	Very high	96.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.2	168	178.4	63.5	0	0	0	109.9	V190 V329 V330 W339 V383 L385 V393 V491	V190-L391 HydrophobicContact CG2-CB 4.44Å; V190-L391 HydrophobicContact CG2-CD1 3.67Å; V329-L391 WeakPolarHBondContact CA-O 3.4Å; V330-L391 HydrophobicContact CB-CB 4.33Å; V330-L391 PolarHBondContact N-O 2.86Å; V330-L391 PolarHBondContact O-N 3.41Å; W339-L391 HydrophobicContact CB-CD2 4.15Å; W339-L391 HydrophobicContact CD2-CD2 3.37Å; W339-L391 HydrophobicContact CE3-CD2 3.5Å; W339-L391 VanDerWaalsContact CE3-CD2 3.5Å; W339-L391 HydrophobicContact CG-CD2 3.66Å; W339-L391 HydrophobicContact CZ2-CD2 4.47Å; W339-L391 HydrophobicContact CZ3-CD2 4.11Å; V383-L391 HydrophobicContact CG1-CD1 4.25Å; L385-L391 HydrophobicContact CD1-CB 3.68Å; L385-L391 HydrophobicContact CD1-CD2 4.12Å; L385-L391 HydrophobicContact CD2-CB 3.84Å; L385-L391 HydrophobicContact CG-CB 4.38Å; L391-V393 HydrophobicContact CD2-CG2 3.72Å; L391-V393 HydrophobicContact CG-CG2 3.77Å; L391-V491 HydrophobicContact CD1-CG2 3.96Å
392	F	95.3	Very high	96.3	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121	163.3	172.5	-96	0	0	0	109	C186 P188 F189 F327 V329 P394 L477 F480 L481	C186-F392 WeakPolarHBondContact SG-CE1 3.27Å; P188-F392 WeakPolarHBondContact CA-O 3.04Å; P188-F392 WeakPolarHBondContact CB-O 3.27Å; F189-F392 HydrophobicContact CD1-CB 4.3Å; F189-F392 AromaticContact CD1-CD1 3.85Å; F189-F392 HydrophobicContact CD1-CD1 3.85Å; F189-F392 HydrophobicContact CD1-CG 4.38Å; F189-F392 HydrophobicContact CD2-CB 4.25Å; F189-F392 HydrophobicContact CE1-CB 4.02Å; F189-F392 AromaticContact CE1-CD1 3.47Å; F189-F392 HydrophobicContact CE1-CD1 3.47Å; F189-F392 VanDerWaalsContact CE1-CD1 3.47Å; F189-F392 HydrophobicContact CE1-CE1 4.1Å; F189-F392 AromaticContact CE1-CG 3.82Å; F189-F392 HydrophobicContact CE1-CG 3.82Å; F189-F392 HydrophobicContact CE2-CB 3.97Å; F189-F392 HydrophobicContact CG-CB 4.43Å; F189-F392 HydrophobicContact CZ-CB 3.87Å; F189-F392 HydrophobicContact CZ-CD1 4.07Å; F189-F392 AromaticContact CZ-CG 3.93Å; F189-F392 HydrophobicContact CZ-CG 3.93Å; F189-F392 PolarHBondContact O-N 3.42Å; F327-F392 HydrophobicContact CB-CE2 3.92Å; F327-F392 HydrophobicContact CB-CZ 4.18Å; F327-F392 AromaticContact CD2-CD2 3.79Å; F327-F392 HydrophobicContact CD2-CD2 3.79Å; F327-F392 AromaticContact CD2-CE2 3.31Å; F327-F392 HydrophobicContact CD2-CE2 3.31Å; F327-F392 HydrophobicContact CD2-CZ 4.34Å; F327-F392 HydrophobicContact CE2-CD2 4.22Å; F327-F392 AromaticContact CE2-CE2 3.84Å; F327-F392 HydrophobicContact CE2-CE2 3.84Å; F327-F392 AromaticContact CG-CE2 3.68Å; F327-F392 HydrophobicContact CG-CE2 3.68Å; F327-F392 HydrophobicContact CG-CZ 4.32Å; V329-F392 HydrophobicContact CG1-CD2 4.11Å; F392-P394 HydrophobicContact CD1-CG 4.13Å; F392-P394 HydrophobicContact CE1-CB 3.84Å; F392-P394 HydrophobicContact CE1-CG 3.64Å; F392-P394 HydrophobicContact CZ-CB 4.29Å; F392-L477 HydrophobicContact CE2-CD1 4.04Å; F392-L477 HydrophobicContact CZ-CD1 3.74Å; F392-F480 HydrophobicContact CB-CE1 3.91Å; F392-F480 HydrophobicContact CB-CZ 4.37Å; F392-F480 AromaticContact CD2-CD1 3.73Å; F392-F480 HydrophobicContact CD2-CD1 3.73Å; F392-F480 AromaticContact CD2-CE1 3.31Å; F392-F480 HydrophobicContact CD2-CE1 3.31Å; F392-F480 HydrophobicContact CD2-CZ 4.07Å; F392-F480 AromaticContact CE2-CD1 3.95Å; F392-F480 HydrophobicContact CE2-CD1 3.95Å; F392-F480 HydrophobicContact CE2-CE1 4.03Å; F392-F480 HydrophobicContact CG-CD1 4.45Å; F392-F480 AromaticContact CG-CE1 3.79Å; F392-F480 HydrophobicContact CG-CE1 3.79Å; F392-L481 HydrophobicContact CE1-CD2 3.85Å; F392-L481 HydrophobicContact CE2-CD2 4.34Å; F392-L481 HydrophobicContact CZ-CD2 3.76Å
393	V	96.3	Very high	96.3	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.8	174.8	-174.8	0	0	0	0	107.8	F327 N328 W339 L341 L391 W397	F327-V393 WeakPolarHBondContact CB-O 3.48Å; N328-V393 HydrophobicContact CB-CB 4.13Å; N328-V393 PolarHBondContact N-O 2.95Å; N328-V393 PolarHBondContact O-N 3.49Å; W339-V393 HydrophobicContact CE3-CG2 4.37Å; W339-V393 HydrophobicContact CZ3-CG2 3.94Å; L341-V393 HydrophobicContact CD2-CG1 4.09Å; L341-V393 HydrophobicContact CD2-CG2 4.13Å; L391-V393 HydrophobicContact CD2-CG2 3.72Å; L391-V393 HydrophobicContact CG-CG2 3.77Å; V393-W397 HydrophobicContact CG1-CB 4.02Å
394	P	94.1	Very high	96.2	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.032	10%	0.104	C	C	.	.			trans	-66	161.9	178.4	-5.9	16.5	0	0	0	111.7	C186 F392 R396 W397	C186-P394 HydrophobicContact CB-CB 4.05Å; C186-P394 HydrophobicContact CB-CG 4.29Å; C186-P394 VanDerWaalsContact O-CG 3.24Å; C186-P394 WeakPolarHBondContact O-CG 3.37Å; F392-P394 HydrophobicContact CD1-CG 4.13Å; F392-P394 HydrophobicContact CE1-CB 3.84Å; F392-P394 HydrophobicContact CE1-CG 3.64Å; F392-P394 HydrophobicContact CZ-CB 4.29Å; P394-R396 PolarHBondContact O-N 3.4Å; P394-W397 VanDerWaalsContact CB-CD1 3.49Å; P394-W397 HydrophobicContact CB-CG 4.35Å; P394-W397 HydrophobicContact CG-CD2 4.38Å; P394-W397 HydrophobicContact CG-CG 4.07Å; P394-W397 PolarHBondContact O-N 3.42Å
395	P	92	Very high	96.1	Very high	35 Å²	35	22.2 Å²	22.2	23%	0.227	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.4	179.4	-23.5	34	0	0	0	112	G326 F327 W397 V416	G326-P395 WeakPolarHBondContact O-CA 3.29Å; G326-P395 WeakPolarHBondContact O-CB 3.43Å; F327-P395 HydrophobicContact CB-CG 4.15Å; P395-W397 PolarHBondContact O-N 2.79Å; P395-W397 VanDerWaalsContact O-N 3.09Å; P395-V416 HydrophobicContact CG-CG2 4.32Å
396	R	92.8	Very high	96	Very high	93 Å²	93	25.1 Å²	25.1	35%	0.351	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	8.2	175.5	-51	-178.9	62.1	82.4	9.4	116.3	Y322 P344 P394 W398	Y322-R396 HydrophobicContact CD2-CB 4.29Å; Y322-R396 HydrophobicContact CD2-CG 4.49Å; Y322-R396 PolarHBondContact OH-NH2 3.39Å; Y322-R396 VanDerWaalsContact OH-NH2 3.07Å; P344-R396 HydrophobicContact CG-CB 4.23Å; P394-R396 PolarHBondContact O-N 3.4Å; R396-W398 PolarHBondContact O-N 3.27Å
397	W	96.3	Very high	95.9	Very high	14 Å²	14	21.1 Å²	21.1	5%	0.053	11%	0.106	C	C	.	.			trans	-69.4	122.1	171.3	-85.6	68.3	0	0	0	110.1	C186 E187 P188 Y322 L341 P343 R381 V393 P394 P395 H399	C186-W397 PolarHBondContact O-NE1 3.02Å; C186-W397 VanDerWaalsContact O-NE1 3.1Å; E187-W397 VanDerWaalsContact OE2-CH2 3.3Å; E187-W397 WeakPolarHBondContact OE2-CH2 3.47Å; P188-W397 HydrophobicContact CG-CD2 4.33Å; P188-W397 HydrophobicContact CG-CE3 3.87Å; P188-W397 HydrophobicContact CG-CH2 3.91Å; P188-W397 HydrophobicContact CG-CZ2 4.38Å; P188-W397 HydrophobicContact CG-CZ3 3.65Å; Y322-W397 WeakPolarHBondContact CB-O 3.13Å; L341-W397 HydrophobicContact CB-CE3 3.89Å; L341-W397 HydrophobicContact CB-CZ3 4.34Å; P343-W397 HydrophobicContact CB-CE3 4.43Å; P343-W397 HydrophobicContact CB-CH2 3.62Å; P343-W397 HydrophobicContact CB-CZ2 3.85Å; P343-W397 HydrophobicContact CB-CZ3 3.92Å; P343-W397 HydrophobicContact CG-CH2 4.48Å; R381-W397 HydrophobicContact CB-CZ3 4.45Å; R381-W397 HydrophobicContact CG-CH2 4.05Å; R381-W397 HydrophobicContact CG-CZ3 3.62Å; V393-W397 HydrophobicContact CG1-CB 4.02Å; P394-W397 VanDerWaalsContact CB-CD1 3.49Å; P394-W397 HydrophobicContact CB-CG 4.35Å; P394-W397 HydrophobicContact CG-CD2 4.38Å; P394-W397 HydrophobicContact CG-CG 4.07Å; P394-W397 PolarHBondContact O-N 3.42Å; P395-W397 PolarHBondContact O-N 2.79Å; P395-W397 VanDerWaalsContact O-N 3.09Å; W397-H399 PolarHBondContact O-ND1 2.95Å
398	W	97.8	Very high	95.9	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.008	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.9	172.3	-59.3	88.3	0	0	0	109	H321 Y322 L341 F342 S347 L350 G352 V362 R396	H321-W398 CarbonylContact O-C 3.55Å; H321-W398 VanDerWaalsContact O-CA 3.31Å; H321-W398 WeakPolarHBondContact O-CA 3.45Å; Y322-W398 AromaticContact CD1-CD2 3.71Å; Y322-W398 HydrophobicContact CD1-CD2 3.71Å; Y322-W398 AromaticContact CD1-CE2 3.54Å; Y322-W398 AromaticContact CD1-CE3 3.77Å; Y322-W398 HydrophobicContact CD1-CE3 3.77Å; Y322-W398 HydrophobicContact CD1-CG 4.49Å; Y322-W398 AromaticContact CD1-CH2 3.44Å; Y322-W398 HydrophobicContact CD1-CH2 3.44Å; Y322-W398 VanDerWaalsContact CD1-CH2 3.44Å; Y322-W398 AromaticContact CD1-CZ2 3.43Å; Y322-W398 HydrophobicContact CD1-CZ2 3.43Å; Y322-W398 VanDerWaalsContact CD1-CZ2 3.43Å; Y322-W398 AromaticContact CD1-CZ3 3.63Å; Y322-W398 HydrophobicContact CD1-CZ3 3.63Å; Y322-W398 AromaticContact CE1-CH2 3.46Å; Y322-W398 HydrophobicContact CE1-CH2 3.46Å; Y322-W398 VanDerWaalsContact CE1-CH2 3.46Å; Y322-W398 AromaticContact CE1-CZ2 3.44Å; Y322-W398 HydrophobicContact CE1-CZ2 3.44Å; Y322-W398 VanDerWaalsContact CE1-CZ2 3.44Å; Y322-W398 HydrophobicContact CE1-CZ3 4.09Å; L341-W398 CarbonylContact C-O 3.51Å; L341-W398 WeakPolarHBondContact CA-O 3.32Å; L341-W398 WeakPolarHBondContact CB-O 3.45Å; F342-W398 HydrophobicContact CB-CB 3.99Å; F342-W398 HydrophobicContact CD2-CB 4.35Å; F342-W398 PolarHBondContact N-O 3.01Å; F342-W398 PolarHBondContact O-N 3.18Å; S347-W398 PolarHBondContact OG-NE1 2.84Å; L350-W398 HydrophobicContact CB-CD2 4.16Å; L350-W398 HydrophobicContact CB-CE3 4.3Å; L350-W398 HydrophobicContact CB-CZ2 4.33Å; L350-W398 HydrophobicContact CB-CZ3 4.48Å; L350-W398 HydrophobicContact CD1-CB 3.64Å; L350-W398 HydrophobicContact CD1-CD2 3.47Å; L350-W398 VanDerWaalsContact CD1-CD2 3.47Å; L350-W398 HydrophobicContact CD1-CE3 4.16Å; L350-W398 HydrophobicContact CD1-CG 3.2Å; L350-W398 HydrophobicContact CG-CD2 4.45Å; G352-W398 VanDerWaalsContact CA-CH2 3.46Å; V362-W398 HydrophobicContact CG1-CH2 3.94Å; V362-W398 HydrophobicContact CG1-CZ3 4.34Å; R396-W398 PolarHBondContact O-N 3.27Å
399	H	97.9	Very high	96	Very high	5 Å²	5	19 Å²	19	2%	0.023	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	141.2	179.5	55.6	-86.2	0	0	0	112	C320 H321 D323 W339 I340 L341 W397	C320-H399 WeakPolarHBondContact CA-O 3.46Å; H321-H399 AromaticContact CE1-CD2 3.8Å; H321-H399 AromaticContact CE1-NE2 3.36Å; H321-H399 PolarHBondContact CE1-NE2 3.35Å; H321-H399 PolarHBondContact N-O 3.17Å; H321-H399 VanDerWaalsContact N-O 3.1Å; H321-H399 AromaticContact NE2-CE1 3.85Å; H321-H399 AromaticContact NE2-NE2 3.3Å; H321-H399 PolarHBondContact NE2-NE2 2.88Å; H321-H399 PolarHBondContact O-N 3.21Å; H321-H399 PolarHBondContact O-ND1 2.96Å; D323-H399 IonicContact OD2-CE1 3.67Å; W339-H399 HydrophobicContact CE3-CB 3.99Å; W339-H399 HydrophobicContact CZ3-CB 4.02Å; W339-H399 AromaticContact CZ3-CD2 3.5Å; W339-H399 VanDerWaalsContact CZ3-CD2 3.5Å; W339-H399 WeakPolarHBondContact CZ3-CD2 3.35Å; W339-H399 AromaticContact CZ3-CG 3.85Å; I340-H399 CarbonylContact O-C 3.2Å; I340-H399 VanDerWaalsContact O-CA 3.26Å; I340-H399 WeakPolarHBondContact O-CA 3.47Å; L341-H399 HydrophobicContact CD2-CB 4.28Å; L341-H399 HydrophobicContact CG-CB 4.19Å; W397-H399 PolarHBondContact O-ND1 2.95Å
400	F	96.6	Very high	96	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.022	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.5	169.2	167.6	-88.4	0	0	0	109	F317 T318 C320 W339 I340 L368 F369 Q402	F317-F400 HydrophobicContact CB-CE2 4.14Å; F317-F400 HydrophobicContact CB-CZ 3.97Å; F317-F400 AromaticContact CD2-CE2 3.73Å; F317-F400 HydrophobicContact CD2-CE2 3.73Å; F317-F400 HydrophobicContact CD2-CZ 4.27Å; F317-F400 HydrophobicContact CG-CE2 4.19Å; F317-F400 HydrophobicContact CG-CZ 4.27Å; T318-F400 VanDerWaalsContact O-CD2 3.24Å; T318-F400 WeakPolarHBondContact O-CD2 3.38Å; C320-F400 HydrophobicContact CB-CB 4.09Å; W339-F400 WeakPolarHBondContact CA-O 3.34Å; I340-F400 HydrophobicContact CB-CB 4.38Å; I340-F400 HydrophobicContact CB-CD1 4.46Å; I340-F400 HydrophobicContact CD1-CD1 3.82Å; I340-F400 HydrophobicContact CD1-CE1 4.32Å; I340-F400 HydrophobicContact CG1-CD1 4.16Å; I340-F400 PolarHBondContact N-O 3.21Å; I340-F400 PolarHBondContact O-N 3.4Å; L368-F400 HydrophobicContact CB-CD2 4.4Å; L368-F400 HydrophobicContact CB-CG 4.49Å; L368-F400 HydrophobicContact CD1-CB 3.38Å; L368-F400 HydrophobicContact CD1-CD1 4.42Å; L368-F400 HydrophobicContact CD1-CD2 4.14Å; L368-F400 HydrophobicContact CD1-CG 3.74Å; F369-F400 AromaticContact CE1-CZ 3.79Å; F369-F400 HydrophobicContact CE1-CZ 3.79Å; F369-F400 HydrophobicContact CE2-CE2 4.25Å; F369-F400 HydrophobicContact CE2-CZ 4.11Å; F369-F400 HydrophobicContact CZ-CE2 4.13Å; F369-F400 AromaticContact CZ-CZ 3.55Å; F369-F400 HydrophobicContact CZ-CZ 3.55Å; F400-Q402 HydrophobicContact CE1-CB 3.89Å; F400-Q402 HydrophobicContact CZ-CB 4.3Å
401	V	96.4	Very high	96	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.036	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.6	-171.5	-169.9	0	0	0	0	109.7	F317 T318 K337 R338 W339	F317-V401 CarbonylContact C-O 3.57Å; F317-V401 WeakPolarHBondContact CA-O 3.25Å; F317-V401 WeakPolarHBondContact CB-O 3.27Å; T318-V401 PolarHBondContact N-O 3.08Å; T318-V401 PolarHBondContact O-N 2.8Å; K337-V401 HydrophobicContact CB-CG1 4.5Å; K337-V401 HydrophobicContact CD-CG1 4.25Å; R338-V401 CarbonylContact O-C 3.52Å; R338-V401 WeakPolarHBondContact O-CA 3.49Å; W339-V401 HydrophobicContact CD2-CG1 4.28Å; W339-V401 HydrophobicContact CD2-CG2 3.68Å; W339-V401 HydrophobicContact CE3-CG2 3.64Å; W339-V401 HydrophobicContact CG-CG2 4.44Å; W339-V401 HydrophobicContact CH2-CG2 3.63Å; W339-V401 HydrophobicContact CZ2-CG1 3.98Å; W339-V401 HydrophobicContact CZ2-CG2 3.68Å; W339-V401 HydrophobicContact CZ3-CG2 3.62Å
402	Q	95.4	Very high	95.8	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.065	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.4	177.3	-173.2	-174.7	25.5	0	0	111.1	S316 F317 K337 R338 F400 I404 H505	S316-Q402 WeakPolarHBondContact O-CA 3.47Å; F317-Q402 HydrophobicContact CB-CB 4.27Å; F317-Q402 HydrophobicContact CB-CG 4.3Å; K337-Q402 CarbonylContact C-O 2.97Å; K337-Q402 WeakPolarHBondContact CA-O 3.24Å; R338-Q402 PolarHBondContact N-O 2.85Å; R338-Q402 PolarHBondContact O-N 3.12Å; F400-Q402 HydrophobicContact CE1-CB 3.89Å; F400-Q402 HydrophobicContact CZ-CB 4.3Å; Q402-I404 HydrophobicContact CG-CD1 4.39Å; Q402-I404 PolarHBondContact O-N 3.49Å; Q402-H505 PolarHBondContact NE2-CE1 3.47Å; Q402-H505 VanDerWaalsContact NE2-CE1 3.32Å
403	C	95.7	Very high	95.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	112.8	170.5	-61.8	0	0	0	0	109.5	T313 G315 S316 S407	T313-C403 WeakPolarHBondContact O-CB 3.42Å; G315-C403 PolarHBondContact N-O 3.26Å; S316-C403 PolarHBondContact O-N 2.91Å; S316-C403 WeakPolarHBondContact OG-CB 3.12Å; S316-C403 PolarHBondContact OG-SG 3.46Å; C403-S407 PolarHBondContact SG-OG 3Å
404	I	94.9	Very high	95.3	Very high	52 Å²	52	21 Å²	21	27%	0.267	10%	0.099	S	C	.	.	S	Bend	trans	-80.4	-38.8	175.9	-55.8	-52.6	0	0	0	109.9	S314 K336 R338 Q402	S314-I404 WeakPolarHBondContact CB-O 3.31Å; S314-I404 PolarHBondContact OG-O 2.97Å; K336-I404 HydrophobicContact CB-CB 4.21Å; K336-I404 PolarHBondContact O-N 3.48Å; R338-I404 HydrophobicContact CB-CD1 3.74Å; R338-I404 HydrophobicContact CB-CG1 3.83Å; Q402-I404 HydrophobicContact CG-CD1 4.39Å; Q402-I404 PolarHBondContact O-N 3.49Å
405	E	95.5	Very high	95	Very high	88 Å²	88	22.8 Å²	22.8	41%	0.411	11%	0.114	S	C	.	.	S	Bend	trans	-119.5	170	172	-63.1	170.3	-170.7	0	0	109	K336 S407	K336-E405 HydrophobicContact CB-CG 4.42Å; K336-E405 PolarHBondContact O-N 3.06Å; E405-S407 WeakPolarHBondContact O-CB 3.35Å; E405-S407 PolarHBondContact O-N 3.18Å; E405-S407 VanDerWaalsContact O-N 3.1Å
406	D	95.5	Very high	94.7	Very high	61 Å²	61	21.2 Å²	21.2	33%	0.326	10%	0.104	S	C	.	.	S	Bend	trans	-57.5	117.5	166.3	-67.6	-7.8	0	0	0	108.1	F205 G312 T313 S314 G335	F205-D406 HydrophobicContact CD2-CB 4.29Å; F205-D406 HydrophobicContact CE1-CB 4.17Å; F205-D406 HydrophobicContact CE2-CB 3.83Å; F205-D406 HydrophobicContact CZ-CB 3.77Å; G312-D406 WeakPolarHBondContact O-CA 3.13Å; T313-D406 WeakPolarHBondContact CA-OD1 3.47Å; T313-D406 WeakPolarHBondContact CB-OD1 3.19Å; S314-D406 PolarHBondContact N-OD1 2.84Å; G335-D406 WeakPolarHBondContact CA-O 3.41Å
407	S	96.8	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.8	-163.4	70.2	0	0	0	0	113.6	M311 G312 C334 K337 C403 E405	M311-S407 WeakPolarHBondContact CA-O 3.48Å; G312-S407 PolarHBondContact N-O 2.94Å; G312-S407 PolarHBondContact O-N 3.41Å; C334-S407 CarbonylContact O-C 3.54Å; C334-S407 WeakPolarHBondContact O-CA 3.47Å; C334-S407 WeakPolarHBondContact O-CB 3.48Å; K337-S407 WeakPolarHBondContact CE-OG 3.29Å; K337-S407 WeakPolarHBondContact CG-OG 3.39Å; C403-S407 PolarHBondContact SG-OG 3Å; E405-S407 WeakPolarHBondContact O-CB 3.35Å; E405-S407 PolarHBondContact O-N 3.18Å; E405-S407 VanDerWaalsContact O-N 3.1Å
408	I	97.3	Very high	93.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.2	174	-58.7	171.3	0	0	0	107.4	F205 V208 F309 W310 M311 L333 C334	F205-I408 HydrophobicContact CD2-CD1 3.95Å; F205-I408 HydrophobicContact CD2-CG1 3.95Å; F205-I408 HydrophobicContact CE2-CD1 4.25Å; F205-I408 HydrophobicContact CE2-CG1 3.72Å; V208-I408 HydrophobicContact CG2-CD1 3.59Å; F309-I408 HydrophobicContact CD2-CG2 4.17Å; F309-I408 HydrophobicContact CE2-CG2 3.39Å; F309-I408 HydrophobicContact CZ-CG2 4.03Å; W310-I408 WeakPolarHBondContact O-CA 3.38Å; M311-I408 HydrophobicContact CB-CG1 4.48Å; M311-I408 HydrophobicContact CG-CG1 4.16Å; L333-I408 HydrophobicContact CB-CB 4.41Å; L333-I408 HydrophobicContact CB-CG2 4.25Å; L333-I408 WeakPolarHBondContact CB-O 3.49Å; L333-I408 HydrophobicContact CD1-CG2 4.12Å; L333-I408 PolarHBondContact N-O 3.33Å; C334-I408 HydrophobicContact CB-CB 4.02Å; C334-I408 HydrophobicContact CB-CD1 4.28Å; C334-I408 HydrophobicContact CB-CG1 4.26Å; C334-I408 PolarHBondContact N-O 3.19Å; C334-I408 PolarHBondContact O-N 2.74Å
409	S	97.8	Very high	93.2	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.2	171.7	64.7	0	0	0	0	110.6	W310 A331 K337	W310-S409 PolarHBondContact N-O 3.2Å; W310-S409 PolarHBondContact O-N 3.1Å; A331-S409 VanDerWaalsContact O-CA 3.27Å; A331-S409 WeakPolarHBondContact O-CA 3.33Å; A331-S409 VanDerWaalsContact O-CB 3.32Å; A331-S409 WeakPolarHBondContact O-CB 3.47Å; K337-S409 PolarHBondContact NZ-OG 3.43Å
410	V	97.3	Very high	92.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.2	168.7	-64.9	0	0	0	0	108.5	W198 W203 M281 V293 W295 T308 F309 A331 L333	W198-V410 HydrophobicContact CZ3-CG2 4.08Å; W203-V410 HydrophobicContact CZ3-CG1 4.31Å; M281-V410 HydrophobicContact SD-CB 4.38Å; M281-V410 HydrophobicContact SD-CG1 3.73Å; V293-V410 HydrophobicContact CG1-CG2 4.13Å; V293-V410 HydrophobicContact CG2-CG1 4.37Å; V293-V410 HydrophobicContact CG2-CG2 4.06Å; W295-V410 HydrophobicContact CZ2-CG2 4.15Å; T308-V410 WeakPolarHBondContact O-CA 3.25Å; F309-V410 HydrophobicContact CD2-CG1 4.22Å; A331-V410 HydrophobicContact CB-CG2 3.87Å; A331-V410 PolarHBondContact N-O 3.35Å; A331-V410 PolarHBondContact O-N 3.5Å; L333-V410 HydrophobicContact CD1-CB 4.49Å; L333-V410 HydrophobicContact CD1-CG1 3.77Å; L333-V410 HydrophobicContact CD1-CG2 4.06Å; L333-V410 HydrophobicContact CD2-CG2 4.32Å; L333-V410 HydrophobicContact CG-CG2 4.25Å
411	N	96.7	Very high	91.9	Very high	3 Å²	3	26 Å²	26	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.8	173.6	79.7	-66.4	0	0	0	111.7	S307 T308 W310 N328 V329 V330 W413	S307-N411 VanDerWaalsContact CA-O 3.27Å; S307-N411 WeakPolarHBondContact CA-O 3.09Å; S307-N411 WeakPolarHBondContact CB-O 3.31Å; T308-N411 PolarHBondContact N-O 3.14Å; T308-N411 PolarHBondContact O-N 3.02Å; T308-N411 VanDerWaalsContact O-N 3.09Å; T308-N411 PolarHBondContact OG1-OD1 3.48Å; W310-N411 PolarHBondContact NE1-OD1 3.06Å; N328-N411 VanDerWaalsContact CG-ND2 3.31Å; N328-N411 PolarHBondContact ND2-ND2 2.9Å; N328-N411 WeakPolarHBondContact OD1-CB 3.22Å; N328-N411 PolarHBondContact OD1-ND2 3.35Å; V329-N411 WeakPolarHBondContact O-CA 3.38Å; V329-N411 WeakPolarHBondContact O-CB 3.4Å; V330-N411 HydrophobicContact CB-CB 4.21Å; V330-N411 HydrophobicContact CG1-CB 4.39Å; V330-N411 HydrophobicContact CG2-CB 3.82Å; N411-W413 VanDerWaalsContact ND2-CE2 3.25Å; N411-W413 WeakPolarHBondContact ND2-CH2 3.12Å; N411-W413 WeakPolarHBondContact ND2-CZ2 3.34Å; N411-W413 WeakPolarHBondContact ND2-CZ3 3.45Å
412	S	94	Very high	91.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.6	171.8	-64	0	0	0	0	109.7	W295 S307 N328 V329 I414	W295-S412 PolarHBondContact NE1-OG 3.46Å; S307-S412 PolarHBondContact OG-OG 3.46Å; S307-S412 VanDerWaalsContact OG-OG 3.08Å; N328-S412 PolarHBondContact OD1-O 3.22Å; V329-S412 PolarHBondContact N-O 2.8Å; V329-S412 PolarHBondContact O-N 3.3Å; V329-S412 VanDerWaalsContact O-N 3.09Å; S412-I414 WeakPolarHBondContact O-CD1 3.38Å
413	W	91.6	Very high	91.2	Very high	52 Å²	52	27.2 Å²	27.2	20%	0.197	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.1	168.3	-63.2	-96.1	0	0	0	109.3	Y278 T308 W310 D323 F327 N328 N411	Y278-W413 AromaticContact CD2-CH2 3.65Å; Y278-W413 HydrophobicContact CD2-CH2 3.65Å; Y278-W413 HydrophobicContact CD2-CZ2 4.31Å; Y278-W413 HydrophobicContact CD2-CZ3 4.44Å; Y278-W413 AromaticContact CE2-CH2 3.26Å; Y278-W413 HydrophobicContact CE2-CH2 3.26Å; Y278-W413 AromaticContact CE2-CZ2 3.83Å; Y278-W413 HydrophobicContact CE2-CZ2 3.83Å; Y278-W413 AromaticContact CE2-CZ3 3.84Å; Y278-W413 HydrophobicContact CE2-CZ3 3.84Å; T308-W413 HydrophobicContact CG2-CH2 4.16Å; T308-W413 HydrophobicContact CG2-CZ3 3.58Å; T308-W413 VanDerWaalsContact OG1-CH2 3.28Å; T308-W413 WeakPolarHBondContact OG1-CH2 3.08Å; T308-W413 WeakPolarHBondContact OG1-CZ3 3.32Å; W310-W413 AromaticContact CZ2-CH2 3.89Å; W310-W413 HydrophobicContact CZ2-CH2 3.89Å; W310-W413 HydrophobicContact CZ2-CZ2 4.28Å; D323-W413 PolarHBondContact OD2-NE1 2.9Å; F327-W413 WeakPolarHBondContact O-CA 3.37Å; N328-W413 PolarHBondContact ND2-NE1 2.97Å; N411-W413 VanDerWaalsContact ND2-CE2 3.25Å; N411-W413 WeakPolarHBondContact ND2-CH2 3.12Å; N411-W413 WeakPolarHBondContact ND2-CZ2 3.34Å; N411-W413 WeakPolarHBondContact ND2-CZ3 3.45Å
414	I	89.4	Confident	90.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.2	-179	-64.4	74.5	0	0	0	107	L300 Y302 G326 F327 V329 S412 H476	L300-I414 HydrophobicContact CD1-CD1 3.97Å; L300-I414 HydrophobicContact CD1-CG1 4.07Å; L300-I414 HydrophobicContact CD2-CG1 4.18Å; Y302-I414 HydrophobicContact CD2-CG1 4.09Å; Y302-I414 HydrophobicContact CE2-CG1 3.68Å; Y302-I414 HydrophobicContact CE2-CG2 4.27Å; G326-I414 CarbonylContact C-O 3.55Å; G326-I414 WeakPolarHBondContact CA-O 3.37Å; F327-I414 HydrophobicContact CD1-CB 4.01Å; F327-I414 HydrophobicContact CD1-CG2 4.32Å; F327-I414 HydrophobicContact CD2-CB 4.38Å; F327-I414 HydrophobicContact CD2-CD1 4.31Å; F327-I414 HydrophobicContact CE1-CB 3.48Å; F327-I414 VanDerWaalsContact CE1-CB 3.48Å; F327-I414 HydrophobicContact CE1-CG1 4.34Å; F327-I414 HydrophobicContact CE1-CG2 3.47Å; F327-I414 VanDerWaalsContact CE1-CG2 3.47Å; F327-I414 HydrophobicContact CE2-CB 3.89Å; F327-I414 HydrophobicContact CE2-CD1 3.77Å; F327-I414 HydrophobicContact CE2-CG1 3.97Å; F327-I414 HydrophobicContact CG-CB 4.45Å; F327-I414 HydrophobicContact CZ-CB 3.43Å; F327-I414 VanDerWaalsContact CZ-CB 3.43Å; F327-I414 HydrophobicContact CZ-CD1 4.12Å; F327-I414 HydrophobicContact CZ-CG1 3.77Å; F327-I414 HydrophobicContact CZ-CG2 3.62Å; F327-I414 PolarHBondContact N-O 2.8Å; F327-I414 VanDerWaalsContact N-O 3.09Å; F327-I414 PolarHBondContact O-N 3.46Å; V329-I414 HydrophobicContact CG2-CD1 3.61Å; S412-I414 WeakPolarHBondContact O-CD1 3.38Å; I414-H476 HydrophobicContact CG2-CB 3.85Å
415	A	87.1	Confident	90.6	Very high	42 Å²	42	26.4 Å²	26.4	35%	0.347	14%	0.135	S	C	.	.			trans	-62.6	141.9	-177	0	0	0	0	0	111.9	D419 P472	A415-D419 WeakPolarHBondContact CA-OD2 3.45Å; A415-D419 WeakPolarHBondContact CB-OD2 3.48Å; A415-P472 HydrophobicContact CB-CB 3.75Å; A415-P472 HydrophobicContact CB-CG 4.25Å
416	V	86.4	Confident	90.5	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	12%	0.116	C	C	.	.			trans	-126.5	162.4	179.5	-65.3	0	0	0	0	110.5	F327 P395 S418 D419 P472 D474 L477	F327-V416 HydrophobicContact CD1-CG1 3.75Å; F327-V416 HydrophobicContact CE1-CG1 4.32Å; P395-V416 HydrophobicContact CG-CG2 4.32Å; V416-S418 WeakPolarHBondContact CG2-OG 3.38Å; V416-S418 PolarHBondContact O-N 2.88Å; V416-D419 WeakPolarHBondContact CG2-OD1 3.49Å; V416-D419 PolarHBondContact N-OD2 3.05Å; V416-D419 WeakPolarHBondContact O-CB 3.39Å; V416-D419 PolarHBondContact O-N 3.37Å; V416-P472 WeakPolarHBondContact O-CG 3.46Å; V416-D474 WeakPolarHBondContact CB-OD1 3.41Å; V416-L477 HydrophobicContact CG1-CB 4.3Å; V416-L477 HydrophobicContact CG1-CD2 4.15Å
417	S	84.9	Confident	90.1	Very high	13 Å²	13	19.4 Å²	19.4	9%	0.091	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.7	-174.4	69.7	0	0	0	0	113.2	L178 D419 R420 D474	L178-S417 WeakPolarHBondContact CD2-OG 3.44Å; S417-D419 PolarHBondContact O-N 3.46Å; S417-R420 WeakPolarHBondContact O-CG 3.17Å; S417-R420 PolarHBondContact O-N 3.24Å; S417-D474 WeakPolarHBondContact CB-OD1 3.4Å; S417-D474 WeakPolarHBondContact CB-OD2 3.49Å; S417-D474 PolarHBondContact N-OD1 3.34Å; S417-D474 VanDerWaalsContact OG-CG 3.25Å; S417-D474 PolarHBondContact OG-OD1 2.95Å; S417-D474 PolarHBondContact OG-OD2 3.22Å
418	S	84.3	Confident	89.8	Confident	40 Å²	40	19.5 Å²	19.5	28%	0.28	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.7	177.1	57.8	0	0	0	0	113.8	V416 R420 E421 S422	V416-S418 WeakPolarHBondContact CG2-OG 3.38Å; V416-S418 PolarHBondContact O-N 2.88Å; S418-R420 PolarHBondContact O-N 2.87Å; S418-E421 PolarHBondContact O-N 3.34Å; S418-S422 PolarHBondContact O-N 2.88Å
419	D	86.3	Confident	89.6	Confident	3 Å²	3	19.5 Å²	19.5	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-19.3	178.8	-64.4	-14.2	0	0	0	112.8	Y325 G326 A415 V416 S417 E421 S422 R423 P472	Y325-D419 WeakPolarHBondContact CA-OD1 3.32Å; Y325-D419 HydrophobicContact CD1-CB 4.22Å; G326-D419 PolarHBondContact N-OD1 3.03Å; G326-D419 PolarHBondContact N-OD2 3.23Å; A415-D419 WeakPolarHBondContact CA-OD2 3.45Å; A415-D419 WeakPolarHBondContact CB-OD2 3.48Å; V416-D419 WeakPolarHBondContact CG2-OD1 3.49Å; V416-D419 PolarHBondContact N-OD2 3.05Å; V416-D419 WeakPolarHBondContact O-CB 3.39Å; V416-D419 PolarHBondContact O-N 3.37Å; S417-D419 PolarHBondContact O-N 3.46Å; D419-E421 VanDerWaalsContact C-N 3.3Å; D419-S422 PolarHBondContact O-N 2.89Å; D419-R423 VanDerWaalsContact CB-NH1 3.34Å; D419-R423 WeakPolarHBondContact O-CB 3.35Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.24Å; D419-R423 PolarHBondContact O-NH1 3.23Å; D419-P472 HydrophobicContact CB-CG 4.21Å
420	R	82.2	Confident	89.4	Confident	68 Å²	68	20.1 Å²	20.1	26%	0.257	10%	0.102	S	C	.	.	H	α-helix	trans	-61.8	-42.9	173.3	-63.8	-179.5	-170	-164	-0.1	110.9	S417 S418 M424 G469 G471	S417-R420 WeakPolarHBondContact O-CG 3.17Å; S417-R420 PolarHBondContact O-N 3.24Å; S418-R420 PolarHBondContact O-N 2.87Å; R420-M424 WeakPolarHBondContact O-CG 3.28Å; R420-M424 PolarHBondContact O-N 2.72Å; R420-G469 PolarHBondContact NH1-O 3.06Å; R420-G469 PolarHBondContact NH2-O 3.26Å; R420-G471 VanDerWaalsContact NH2-CA 3.33Å; R420-G471 VanDerWaalsContact NH2-N 3.1Å; R420-G471 PolarHBondContact NH2-O 3.23Å
421	E	84.7	Confident	89	Confident	96 Å²	96	20.2 Å²	20.2	45%	0.449	10%	0.103	S	C	.	.	H	α-helix	trans	-72.5	-43	175.9	-65.4	-148.6	-171.6	0	0	111.1	S418 D419 R423 M424 D425 R538	S418-E421 PolarHBondContact O-N 3.34Å; D419-E421 VanDerWaalsContact C-N 3.3Å; E421-R423 VanDerWaalsContact C-N 3.3Å; E421-R423 PolarHBondContact O-N 3.12Å; E421-M424 WeakPolarHBondContact O-CA 3.49Å; E421-M424 WeakPolarHBondContact O-CB 3.17Å; E421-M424 PolarHBondContact O-N 2.85Å; E421-D425 PolarHBondContact O-N 2.91Å; E421-R538 IonicContact OE2-CZ 3.92Å; E421-R538 IonicContact OE2-NH1 2.64Å; E421-R538 PolarHBondContact OE2-NH1 3.07Å; E421-R538 IonicContact OE2-NH2 3.88Å; E421-R538 PolarHBondContact OE2-NH2 2.95Å
422	S	88.9	Confident	88.7	Confident	10 Å²	10	20 Å²	20	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-41.6	176.6	-58.5	0	0	0	0	112.3	T324 S418 D419 M424 D425 E426	T324-S422 WeakPolarHBondContact O-CB 3.49Å; T324-S422 PolarHBondContact O-OG 3.3Å; S418-S422 PolarHBondContact O-N 2.88Å; D419-S422 PolarHBondContact O-N 2.89Å; S422-M424 VanDerWaalsContact C-N 3.25Å; S422-M424 PolarHBondContact O-N 3.1Å; S422-D425 PolarHBondContact O-N 2.86Å; S422-D425 VanDerWaalsContact O-N 3.17Å; S422-E426 WeakPolarHBondContact O-CB 3.43Å; S422-E426 VanDerWaalsContact O-CG 3.29Å; S422-E426 WeakPolarHBondContact O-CG 3.4Å; S422-E426 PolarHBondContact O-N 3.29Å
423	R	87.9	Confident	88.6	Confident	36 Å²	36	20 Å²	20	14%	0.136	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-35.4	176.7	-76.9	179.7	-173.6	99	-8.7	112.1	P128 E130 Y325 D419 E421 A427	P128-R423 WeakPolarHBondContact O-CG 3.3Å; E130-R423 IonicContact OE1-CZ 3.44Å; E130-R423 IonicContact OE1-NE 2.74Å; E130-R423 IonicContact OE1-NH2 3.7Å; E130-R423 PolarHBondContact OE1-NH2 2.82Å; Y325-R423 HydrophobicContact CD1-CG 4.34Å; Y325-R423 HydrophobicContact CE1-CB 4.34Å; Y325-R423 HydrophobicContact CE1-CG 3.61Å; D419-R423 VanDerWaalsContact CB-NH1 3.34Å; D419-R423 WeakPolarHBondContact O-CB 3.35Å; D419-R423 WeakPolarHBondContact O-CG 3.33Å; D419-R423 PolarHBondContact O-N 3.24Å; D419-R423 PolarHBondContact O-NH1 3.23Å; E421-R423 VanDerWaalsContact C-N 3.3Å; E421-R423 PolarHBondContact O-N 3.12Å; R423-A427 VanDerWaalsContact O-CB 3.28Å; R423-A427 WeakPolarHBondContact O-CB 3.43Å; R423-A427 PolarHBondContact O-N 2.9Å
424	M	87.5	Confident	88.5	Confident	12 Å²	12	17.9 Å²	17.9	6%	0.059	10%	0.095	C	C	.	.	H	α-helix	trans	-69.5	-43.9	174.9	-70.4	-67.3	-68.1	0	0	111.4	R420 E421 S422 E426 A427 V428 C462 A463 A466 R538 F542	R420-M424 WeakPolarHBondContact O-CG 3.28Å; R420-M424 PolarHBondContact O-N 2.72Å; E421-M424 WeakPolarHBondContact O-CA 3.49Å; E421-M424 WeakPolarHBondContact O-CB 3.17Å; E421-M424 PolarHBondContact O-N 2.85Å; S422-M424 VanDerWaalsContact C-N 3.25Å; S422-M424 PolarHBondContact O-N 3.1Å; M424-E426 VanDerWaalsContact C-N 3.34Å; M424-A427 PolarHBondContact O-N 3.42Å; M424-V428 VanDerWaalsContact O-CG2 3.29Å; M424-V428 WeakPolarHBondContact O-CG2 3.36Å; M424-V428 PolarHBondContact O-N 3.32Å; M424-C462 HydrophobicContact SD-CB 3.58Å; M424-C462 VanDerWaalsContact SD-CB 3.58Å; M424-C462 VanDerWaalsContact SD-O 3.41Å; M424-A463 HydrophobicContact CE-CB 3.94Å; M424-A463 VanDerWaalsContact SD-CA 3.56Å; M424-A463 HydrophobicContact SD-CB 4.32Å; M424-A463 PolarHBondContact SD-N 3.38Å; M424-A466 HydrophobicContact CG-CB 4.21Å; M424-A466 HydrophobicContact SD-CB 4.19Å; M424-R538 VanDerWaalsContact CB-CD 3.43Å; M424-R538 HydrophobicContact CB-CG 4.3Å; M424-F542 HydrophobicContact CE-CD1 4.12Å; M424-F542 HydrophobicContact CE-CD2 3.56Å; M424-F542 HydrophobicContact CE-CE1 3.84Å; M424-F542 HydrophobicContact CE-CE2 3.24Å; M424-F542 HydrophobicContact CE-CG 4.02Å; M424-F542 HydrophobicContact CE-CZ 3.39Å
425	D	91.1	Very high	88.3	Confident	24 Å²	24	19 Å²	19	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-44.9	175.8	-75.6	-36	0	0	0	110.8	E421 S422 V428 T429 I534 R538	E421-D425 PolarHBondContact O-N 2.91Å; S422-D425 PolarHBondContact O-N 2.86Å; S422-D425 VanDerWaalsContact O-N 3.17Å; D425-V428 WeakPolarHBondContact O-CB 3.47Å; D425-V428 PolarHBondContact O-N 3.37Å; D425-T429 PolarHBondContact O-N 3.08Å; D425-T429 PolarHBondContact O-OG1 2.99Å; D425-T429 VanDerWaalsContact O-OG1 3.05Å; D425-I534 HydrophobicContact CB-CG2 4.05Å; D425-I534 WeakPolarHBondContact O-CG2 3.5Å; D425-R538 WeakPolarHBondContact OD1-CD 3.18Å; D425-R538 IonicContact OD1-CZ 2.79Å; D425-R538 IonicContact OD1-NE 2.76Å; D425-R538 PolarHBondContact OD1-NE 3Å; D425-R538 IonicContact OD1-NH2 2.83Å; D425-R538 IonicContact OD2-CZ 2.83Å; D425-R538 IonicContact OD2-NE 3.16Å; D425-R538 IonicContact OD2-NH2 3.72Å; D425-R538 PolarHBondContact OD2-NH2 2.95Å
426	E	92	Very high	88.3	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-66.2	-39.2	177.9	-73.2	-80.8	-162.2	0	0	112.9	P128 T324 Y325 S360 S422 M424 V428 T429 R430	P128-E426 HydrophobicContact CB-CB 4.04Å; T324-E426 WeakPolarHBondContact CB-OE1 3.37Å; T324-E426 WeakPolarHBondContact CG2-OE1 3.46Å; T324-E426 PolarHBondContact OG1-OE1 3.3Å; Y325-E426 HydrophobicContact CE1-CG 4.34Å; Y325-E426 VanDerWaalsContact OH-CB 3.22Å; Y325-E426 WeakPolarHBondContact OH-CB 3.34Å; Y325-E426 VanDerWaalsContact OH-CG 3.25Å; Y325-E426 WeakPolarHBondContact OH-CG 3.49Å; S360-E426 WeakPolarHBondContact CA-OE1 3.49Å; S360-E426 PolarHBondContact N-OE1 3.33Å; S360-E426 VanDerWaalsContact N-OE1 3.11Å; S422-E426 WeakPolarHBondContact O-CB 3.43Å; S422-E426 VanDerWaalsContact O-CG 3.29Å; S422-E426 WeakPolarHBondContact O-CG 3.4Å; S422-E426 PolarHBondContact O-N 3.29Å; M424-E426 VanDerWaalsContact C-N 3.34Å; E426-V428 VanDerWaalsContact C-N 3.33Å; E426-V428 PolarHBondContact O-N 3.07Å; E426-T429 PolarHBondContact O-N 3.48Å; E426-R430 VanDerWaalsContact O-CB 3.31Å; E426-R430 WeakPolarHBondContact O-CB 3.39Å; E426-R430 PolarHBondContact O-N 3.38Å
427	A	88.6	Confident	88.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-37.9	173.4	0	0	0	0	0	112.2	P128 R423 M424 A431 I458 L459 C462	P128-A427 HydrophobicContact CG-CB 4.33Å; R423-A427 VanDerWaalsContact O-CB 3.28Å; R423-A427 WeakPolarHBondContact O-CB 3.43Å; R423-A427 PolarHBondContact O-N 2.9Å; M424-A427 PolarHBondContact O-N 3.42Å; A427-A431 PolarHBondContact O-N 3.4Å; A427-I458 HydrophobicContact CB-CG2 4.22Å; A427-L459 HydrophobicContact CB-CB 4.33Å; A427-L459 HydrophobicContact CB-CD1 3.82Å; A427-C462 HydrophobicContact CB-CB 4.09Å
428	V	90.6	Very high	88.4	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-46.2	173.5	169.9	0	0	0	0	110.4	M424 D425 E426 R430 A431 C432 L459 I534 I537 R538 L541 F542	M424-V428 VanDerWaalsContact O-CG2 3.29Å; M424-V428 WeakPolarHBondContact O-CG2 3.36Å; M424-V428 PolarHBondContact O-N 3.32Å; D425-V428 WeakPolarHBondContact O-CB 3.47Å; D425-V428 PolarHBondContact O-N 3.37Å; E426-V428 VanDerWaalsContact C-N 3.33Å; E426-V428 PolarHBondContact O-N 3.07Å; V428-R430 PolarHBondContact O-N 2.98Å; V428-A431 PolarHBondContact O-N 3.49Å; V428-C432 PolarHBondContact O-N 2.87Å; V428-C432 PolarHBondContact O-SG 2.87Å; V428-L459 HydrophobicContact CG2-CD1 3.7Å; V428-I534 HydrophobicContact CB-CG2 4.36Å; V428-I534 HydrophobicContact CG1-CG2 4.16Å; V428-I537 HydrophobicContact CG1-CB 4.05Å; V428-I537 HydrophobicContact CG1-CG2 3.61Å; V428-R538 HydrophobicContact CG2-CB 4.03Å; V428-R538 HydrophobicContact CG2-CG 4.4Å; V428-L541 HydrophobicContact CG2-CD1 4.19Å; V428-F542 HydrophobicContact CG2-CE2 4.26Å
429	T	93.1	Very high	88.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-54.9	-51.7	174.1	-63.3	0	0	0	0	110.5	H354 F357 D425 E426 A431 C432 I433 I534	H354-T429 HydrophobicContact CB-CG2 3.49Å; H354-T429 VanDerWaalsContact CB-CG2 3.49Å; H354-T429 PolarHBondContact CE1-OG1 3.28Å; H354-T429 VanDerWaalsContact CG-CG2 3.47Å; H354-T429 PolarHBondContact NE2-OG1 2.96Å; F357-T429 HydrophobicContact CD2-CG2 3.86Å; F357-T429 HydrophobicContact CE2-CG2 3.58Å; D425-T429 PolarHBondContact O-N 3.08Å; D425-T429 PolarHBondContact O-OG1 2.99Å; D425-T429 VanDerWaalsContact O-OG1 3.05Å; E426-T429 PolarHBondContact O-N 3.48Å; T429-A431 VanDerWaalsContact C-N 3.29Å; T429-A431 PolarHBondContact O-N 2.87Å; T429-C432 CarbonylContact O-C 3.58Å; T429-C432 WeakPolarHBondContact O-CA 3.45Å; T429-C432 WeakPolarHBondContact O-CB 3.34Å; T429-C432 PolarHBondContact O-N 3.36Å; T429-I433 HydrophobicContact CG2-CG1 4.16Å; T429-I433 VanDerWaalsContact O-CG1 3.32Å; T429-I433 WeakPolarHBondContact O-CG1 3.27Å; T429-I433 PolarHBondContact O-N 2.99Å; T429-I534 WeakPolarHBondContact OG1-CG2 3.18Å
430	R	92	Very high	88.4	Confident	16 Å²	16	24.7 Å²	24.7	6%	0.06	12%	0.123	C	C	.	.	H	α-helix	trans	-56.4	-42.8	178.8	-167.9	-176.7	-169.1	83.1	11.1	111.9	F357 E359 E426 V428 I433 A434 E447	F357-R430 HydrophobicContact CZ-CB 4.17Å; F357-R430 HydrophobicContact CZ-CG 4.27Å; E359-R430 IonicContact OE2-CZ 3.18Å; E359-R430 IonicContact OE2-NH1 2.7Å; E359-R430 PolarHBondContact OE2-NH1 2.96Å; E426-R430 VanDerWaalsContact O-CB 3.31Å; E426-R430 WeakPolarHBondContact O-CB 3.39Å; E426-R430 PolarHBondContact O-N 3.38Å; V428-R430 PolarHBondContact O-N 2.98Å; R430-I433 PolarHBondContact O-N 3.41Å; R430-A434 WeakPolarHBondContact O-CB 3.32Å; R430-A434 PolarHBondContact O-N 3.43Å; R430-E447 IonicContact CZ-OE2 3.56Å; R430-E447 IonicContact NH1-OE1 2.76Å; R430-E447 PolarHBondContact NH1-OE1 3.34Å; R430-E447 IonicContact NH1-OE2 3.36Å; R430-E447 PolarHBondContact NH1-OE2 2.94Å; R430-E447 IonicContact NH2-OE2 2.68Å; R430-E447 PolarHBondContact NH2-OE2 3.35Å
431	A	89.9	Confident	88.4	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-42.5	175.4	0	0	0	0	0	112.3	A427 V428 T429 A434 I435 L456 L459	A427-A431 PolarHBondContact O-N 3.4Å; V428-A431 PolarHBondContact O-N 3.49Å; T429-A431 VanDerWaalsContact C-N 3.29Å; T429-A431 PolarHBondContact O-N 2.87Å; A431-A434 PolarHBondContact O-N 2.85Å; A431-I435 WeakPolarHBondContact O-CD1 3.4Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.24Å; A431-I435 PolarHBondContact O-N 3.18Å; A431-I435 VanDerWaalsContact O-N 3.1Å; A431-L456 HydrophobicContact CB-CD2 4.07Å; A431-L459 HydrophobicContact CB-CD2 4.42Å
432	C	90.8	Very high	88.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-47.7	174.1	-73.9	0	0	0	0	111.7	V428 T429 A434 I435 L436 L529	V428-C432 PolarHBondContact O-N 2.87Å; V428-C432 PolarHBondContact O-SG 2.87Å; T429-C432 CarbonylContact O-C 3.58Å; T429-C432 WeakPolarHBondContact O-CA 3.45Å; T429-C432 WeakPolarHBondContact O-CB 3.34Å; T429-C432 PolarHBondContact O-N 3.36Å; C432-A434 VanDerWaalsContact C-N 3.35Å; C432-A434 PolarHBondContact O-N 3.48Å; C432-I435 PolarHBondContact O-N 2.99Å; C432-L436 WeakPolarHBondContact O-CB 3.46Å; C432-L436 VanDerWaalsContact O-CG 3.29Å; C432-L436 WeakPolarHBondContact O-CG 3.31Å; C432-L436 PolarHBondContact O-N 2.8Å; C432-L529 HydrophobicContact CB-CD2 3.95Å
433	I	91.1	Very high	87.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-47.3	175.3	-65.7	-71.5	0	0	0	110.3	L355 F357 T429 R430 I435 L436 K437 I440 I445 I450 L529	L355-I433 HydrophobicContact CD2-CD1 3.86Å; F357-I433 HydrophobicContact CB-CD1 3.9Å; F357-I433 HydrophobicContact CB-CG1 4.2Å; F357-I433 HydrophobicContact CB-CG2 4.47Å; F357-I433 HydrophobicContact CD1-CG1 4.44Å; F357-I433 HydrophobicContact CD1-CG2 4.18Å; F357-I433 HydrophobicContact CD2-CD1 4.09Å; F357-I433 HydrophobicContact CD2-CG1 3.63Å; F357-I433 HydrophobicContact CE2-CG1 4.11Å; F357-I433 HydrophobicContact CG-CB 4.49Å; F357-I433 HydrophobicContact CG-CD1 4.07Å; F357-I433 HydrophobicContact CG-CG1 3.8Å; F357-I433 HydrophobicContact CG-CG2 4.2Å; T429-I433 HydrophobicContact CG2-CG1 4.16Å; T429-I433 VanDerWaalsContact O-CG1 3.32Å; T429-I433 WeakPolarHBondContact O-CG1 3.27Å; T429-I433 PolarHBondContact O-N 2.99Å; R430-I433 PolarHBondContact O-N 3.41Å; I433-I435 VanDerWaalsContact C-N 3.26Å; I433-I435 PolarHBondContact O-N 3.19Å; I433-L436 CarbonylContact O-C 3.52Å; I433-L436 PolarHBondContact O-N 3.24Å; I433-K437 WeakPolarHBondContact O-CA 3.18Å; I433-K437 WeakPolarHBondContact O-CB 3.46Å; I433-K437 PolarHBondContact O-N 2.81Å; I433-I440 HydrophobicContact CD1-CD1 3.78Å; I433-I440 HydrophobicContact CG2-CD1 4.36Å; I433-I445 HydrophobicContact CG2-CD1 4.11Å; I433-I445 HydrophobicContact CG2-CG1 4.43Å; I433-I450 HydrophobicContact CG2-CD1 3.77Å; I433-I450 HydrophobicContact CG2-CG2 4.39Å; I433-L529 HydrophobicContact CD1-CD1 3.49Å; I433-L529 VanDerWaalsContact CD1-CD1 3.49Å; I433-L529 HydrophobicContact CD1-CD2 3.93Å; I433-L529 HydrophobicContact CD1-CG 4.35Å; I433-L529 HydrophobicContact CG1-CD2 4.29Å
434	A	88.8	Confident	87.7	Confident	7 Å²	7	30.5 Å²	30.5	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-36.3	179.7	0	0	0	0	0	113.2	R430 A431 C432 I450	R430-A434 WeakPolarHBondContact O-CB 3.32Å; R430-A434 PolarHBondContact O-N 3.43Å; A431-A434 PolarHBondContact O-N 2.85Å; C432-A434 VanDerWaalsContact C-N 3.35Å; C432-A434 PolarHBondContact O-N 3.48Å; A434-I450 HydrophobicContact CB-CG2 3.55Å
435	I	86.3	Confident	87.6	Confident	24 Å²	24	30.6 Å²	30.6	12%	0.123	17%	0.167	C	C	.	.	H	α-helix	trans	-79.1	-37.4	179.8	-66.8	166.5	0	0	0	111.3	L45 Q48 A431 C432 I433 T452	L45-I435 HydrophobicContact CB-CG2 3.73Å; L45-I435 HydrophobicContact CD1-CB 3.76Å; L45-I435 HydrophobicContact CD1-CD1 3.31Å; L45-I435 HydrophobicContact CD1-CG1 4.1Å; L45-I435 HydrophobicContact CD1-CG2 3.54Å; L45-I435 HydrophobicContact CG-CG2 4.18Å; Q48-I435 HydrophobicContact CB-CD1 4.43Å; A431-I435 WeakPolarHBondContact O-CD1 3.4Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.24Å; A431-I435 PolarHBondContact O-N 3.18Å; A431-I435 VanDerWaalsContact O-N 3.1Å; C432-I435 PolarHBondContact O-N 2.99Å; I433-I435 VanDerWaalsContact C-N 3.26Å; I433-I435 PolarHBondContact O-N 3.19Å; I435-T452 HydrophobicContact CG1-CG2 4.06Å
436	L	88	Confident	86.8	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-86.8	-8.5	179.9	-60.3	174.8	0	0	0	113.1	L45 C432 I433 P438 I439 I440 L525 I528	L45-L436 HydrophobicContact CD2-CD1 4.27Å; L45-L436 HydrophobicContact CD2-CD2 4.05Å; L45-L436 HydrophobicContact CD2-CG 4.21Å; C432-L436 WeakPolarHBondContact O-CB 3.46Å; C432-L436 VanDerWaalsContact O-CG 3.29Å; C432-L436 WeakPolarHBondContact O-CG 3.31Å; C432-L436 PolarHBondContact O-N 2.8Å; I433-L436 CarbonylContact O-C 3.52Å; I433-L436 PolarHBondContact O-N 3.24Å; L436-P438 WeakPolarHBondContact O-CD 3.44Å; L436-I439 HydrophobicContact CB-CD1 4.35Å; L436-I439 HydrophobicContact CB-CG1 4.26Å; L436-I439 HydrophobicContact CD2-CD1 4.02Å; L436-I439 WeakPolarHBondContact O-CG1 3.19Å; L436-I439 PolarHBondContact O-N 3.35Å; L436-I440 HydrophobicContact CB-CD1 3.8Å; L436-I440 HydrophobicContact CB-CG1 4.2Å; L436-I440 PolarHBondContact O-N 2.84Å; L436-L525 HydrophobicContact CD1-CD2 4.23Å; L436-I528 HydrophobicContact CD1-CG2 4.07Å
437	K	87.3	Confident	85.9	Confident	70 Å²	70	34 Å²	34	30%	0.304	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-41.4	-179	-173.8	169.9	-176.7	171.6	0	114.2	I433 I439 I440 I445 K448 I450	I433-K437 WeakPolarHBondContact O-CA 3.18Å; I433-K437 WeakPolarHBondContact O-CB 3.46Å; I433-K437 PolarHBondContact O-N 2.81Å; K437-I439 PolarHBondContact O-N 3.4Å; K437-I439 VanDerWaalsContact O-N 3.12Å; K437-I440 PolarHBondContact O-N 3.47Å; K437-I445 HydrophobicContact CB-CD1 4.42Å; K437-I445 HydrophobicContact CG-CD1 3.89Å; K437-K448 PolarHBondContact NZ-O 2.92Å; K437-I450 PolarHBondContact NZ-O 3.28Å
438	P	84.9	Confident	85.1	Confident	99 Å²	99	41.8 Å²	41.8	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-1.4	-179.1	-17.1	32.5	0	0	0	116.1	R41 L436	R41-P438 PolarHBondContact NH1-O 3.4Å; L436-P438 WeakPolarHBondContact O-CD 3.44Å
439	I	84.5	Confident	84.5	Confident	37 Å²	37	48.5 Å²	48.5	19%	0.19	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-15.9	170.1	44.9	171	0	0	0	113.2	L38 L436 K437 L525	L38-I439 HydrophobicContact CD1-CD1 3.2Å; L436-I439 HydrophobicContact CB-CD1 4.35Å; L436-I439 HydrophobicContact CB-CG1 4.26Å; L436-I439 HydrophobicContact CD2-CD1 4.02Å; L436-I439 WeakPolarHBondContact O-CG1 3.19Å; L436-I439 PolarHBondContact O-N 3.35Å; K437-I439 PolarHBondContact O-N 3.4Å; K437-I439 VanDerWaalsContact O-N 3.12Å; I439-L525 HydrophobicContact CD1-CD2 3.73Å; I439-L525 HydrophobicContact CG1-CD2 4.26Å
440	I	86.1	Confident	84	Confident	11 Å²	11	48.7 Å²	48.7	6%	0.056	25%	0.254	C	S	.	.	S	Bend	trans	-76.4	135.7	177	-61.7	168.2	0	0	0	106.7	L355 I433 L436 K437 E442 L444 I445 L525 L529	L355-I440 HydrophobicContact CD2-CG2 4.06Å; I433-I440 HydrophobicContact CD1-CD1 3.78Å; I433-I440 HydrophobicContact CG2-CD1 4.36Å; L436-I440 HydrophobicContact CB-CD1 3.8Å; L436-I440 HydrophobicContact CB-CG1 4.2Å; L436-I440 PolarHBondContact O-N 2.84Å; K437-I440 PolarHBondContact O-N 3.47Å; I440-E442 PolarHBondContact O-N 2.88Å; I440-L444 HydrophobicContact CG2-CB 4.04Å; I440-I445 HydrophobicContact CB-CD1 4.09Å; I440-I445 HydrophobicContact CD1-CD1 4.46Å; I440-I445 HydrophobicContact CG2-CD1 3.87Å; I440-I445 HydrophobicContact CG2-CG1 3.77Å; I440-L525 HydrophobicContact CG1-CD1 3.97Å; I440-L525 HydrophobicContact CG1-CD2 4.05Å; I440-L529 HydrophobicContact CD1-CD1 4.43Å
441	D	83.2	Confident	83.7	Confident	110 Å²	110	51.5 Å²	51.5	59%	0.588	27%	0.271	S	S	*	.			trans	-57.4	129.5	171	-169.9	-26.1	0	0	0	108.9	G443 L444	D441-G443 PolarHBondContact O-N 3.4Å; D441-G443 VanDerWaalsContact O-N 3.16Å; D441-G443 PolarHBondContact OD1-N 3.03Å; D441-L444 HydrophobicContact CB-CD1 4.13Å; D441-L444 HydrophobicContact CB-CG 4.15Å; D441-L444 WeakPolarHBondContact O-CB 3.28Å; D441-L444 PolarHBondContact O-N 3.21Å
442	E	81.5	Confident	83.4	Confident	155 Å²	155	53.6 Å²	53.6	72%	0.724	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-58.7	-30	-178.1	-167.2	173.8	-174.1	0	0	111.5	I440 L444 I445	I440-E442 PolarHBondContact O-N 2.88Å; E442-L444 PolarHBondContact O-N 2.98Å; E442-I445 PolarHBondContact O-N 2.96Å
443	G	81	Confident	83	Confident	33 Å²	33	59.7 Å²	59.7	34%	0.34	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-67.6	-11.3	173.9	0	0	0	0	0	114.7	T236 D441	T236-G443 WeakPolarHBondContact CB-O 3.29Å; T236-G443 PolarHBondContact OG1-O 3.47Å; D441-G443 PolarHBondContact O-N 3.4Å; D441-G443 VanDerWaalsContact O-N 3.16Å; D441-G443 PolarHBondContact OD1-N 3.03Å
444	L	84.1	Confident	82.6	Confident	34 Å²	34	60.3 Å²	60.3	18%	0.178	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-96.3	4.4	175.1	-64	176.7	0	0	0	112.9	L355 P356 F357 I440 D441 E442	L355-L444 HydrophobicContact CD1-CD1 4.45Å; L355-L444 HydrophobicContact CD2-CB 4.32Å; P356-L444 CarbonylContact C-O 3.46Å; P356-L444 VanDerWaalsContact CA-O 3.29Å; P356-L444 WeakPolarHBondContact CA-O 2.92Å; P356-L444 HydrophobicContact CB-CD2 4.2Å; F357-L444 PolarHBondContact N-O 3.45Å; I440-L444 HydrophobicContact CG2-CB 4.04Å; D441-L444 HydrophobicContact CB-CD1 4.13Å; D441-L444 HydrophobicContact CB-CG 4.15Å; D441-L444 WeakPolarHBondContact O-CB 3.28Å; D441-L444 PolarHBondContact O-N 3.21Å; E442-L444 PolarHBondContact O-N 2.98Å
445	I	83.8	Confident	82.5	Confident	14 Å²	14	60 Å²	60	7%	0.072	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-120.4	106.8	178.2	-56.3	177.2	0	0	0	108.6	I433 K437 I440 E442 E447 I450	I433-I445 HydrophobicContact CG2-CD1 4.11Å; I433-I445 HydrophobicContact CG2-CG1 4.43Å; K437-I445 HydrophobicContact CB-CD1 4.42Å; K437-I445 HydrophobicContact CG-CD1 3.89Å; I440-I445 HydrophobicContact CB-CD1 4.09Å; I440-I445 HydrophobicContact CD1-CD1 4.46Å; I440-I445 HydrophobicContact CG2-CD1 3.87Å; I440-I445 HydrophobicContact CG2-CG1 3.77Å; E442-I445 PolarHBondContact O-N 2.96Å; I445-E447 VanDerWaalsContact CG2-O 3.28Å; I445-E447 WeakPolarHBondContact CG2-O 3.4Å; I445-I450 HydrophobicContact CG2-CD1 3.68Å
446	I	75.1	Confident	82.3	Confident	63 Å²	63	60.7 Å²	60.7	32%	0.323	32%	0.317	S	S	.	.	S	Bend	trans	-66.3	-46.2	177.7	-64.1	-177.1	0	0	0	110.3	T236 F357 E358 K448	T236-I446 HydrophobicContact CG2-CB 4.32Å; T236-I446 HydrophobicContact CG2-CD1 3.68Å; T236-I446 HydrophobicContact CG2-CG1 3.04Å; F357-I446 PolarHBondContact O-N 2.88Å; F357-I446 VanDerWaalsContact O-N 3.08Å; E358-I446 HydrophobicContact CB-CD1 3.57Å; E358-I446 HydrophobicContact CB-CG1 4.42Å; E358-I446 HydrophobicContact CG-CD1 3.74Å; I446-K448 PolarHBondContact O-N 3.48Å
447	E	74.2	Confident	81.9	Confident	34 Å²	34	64.4 Å²	64.4	16%	0.159	33%	0.334	C	S	.	.			trans	-80.7	102.8	-176.8	-71.9	-177.6	-128	0	0	112.3	K131 E359 R430 I445 D449 I450	K131-E447 WeakPolarHBondContact CE-OE1 3.41Å; K131-E447 IonicContact NZ-OE1 3.75Å; K131-E447 PolarHBondContact NZ-OE1 3.07Å; K131-E447 IonicContact NZ-OE2 3.96Å; E359-E447 WeakPolarHBondContact CB-OE1 3.31Å; R430-E447 IonicContact CZ-OE2 3.56Å; R430-E447 IonicContact NH1-OE1 2.76Å; R430-E447 PolarHBondContact NH1-OE1 3.34Å; R430-E447 IonicContact NH1-OE2 3.36Å; R430-E447 PolarHBondContact NH1-OE2 2.94Å; R430-E447 IonicContact NH2-OE2 2.68Å; R430-E447 PolarHBondContact NH2-OE2 3.35Å; I445-E447 VanDerWaalsContact CG2-O 3.28Å; I445-E447 WeakPolarHBondContact CG2-O 3.4Å; E447-D449 VanDerWaalsContact C-N 3.31Å; E447-D449 PolarHBondContact O-N 3.37Å; E447-I450 HydrophobicContact CB-CD1 3.92Å; E447-I450 HydrophobicContact CB-CG1 3.88Å; E447-I450 WeakPolarHBondContact O-CG1 3.12Å
448	K	71.4	Confident	81.6	Confident	165 Å²	165	61.3 Å²	61.3	72%	0.717	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.4	-175.5	-61.9	-172.7	178.7	-178.9	0	113.6	K437 I446 I450	K437-K448 PolarHBondContact NZ-O 2.92Å; I446-K448 PolarHBondContact O-N 3.48Å; K448-I450 VanDerWaalsContact C-N 3.27Å; K448-I450 PolarHBondContact O-N 3.31Å
449	D	76.8	Confident	81.5	Confident	142 Å²	142	57 Å²	57	76%	0.759	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	11	-171.6	-63.6	-30.3	0	0	0	115	E447 N451	E447-D449 VanDerWaalsContact C-N 3.31Å; E447-D449 PolarHBondContact O-N 3.37Å; D449-N451 PolarHBondContact O-N 3.43Å; D449-N451 PolarHBondContact O-ND2 3.02Å
450	I	82.8	Confident	81.2	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	30%	0.3	C	S	.	.			trans	-66.2	122.8	176.5	-60	171.9	0	0	0	110.4	F357 I433 A434 K437 I445 E447 K448	F357-I450 HydrophobicContact CD1-CD1 3.36Å; F357-I450 HydrophobicContact CE1-CD1 3.3Å; F357-I450 HydrophobicContact CE1-CG1 4.36Å; F357-I450 HydrophobicContact CZ-CD1 4.43Å; I433-I450 HydrophobicContact CG2-CD1 3.77Å; I433-I450 HydrophobicContact CG2-CG2 4.39Å; A434-I450 HydrophobicContact CB-CG2 3.55Å; K437-I450 PolarHBondContact NZ-O 3.28Å; I445-I450 HydrophobicContact CG2-CD1 3.68Å; E447-I450 HydrophobicContact CB-CD1 3.92Å; E447-I450 HydrophobicContact CB-CG1 3.88Å; E447-I450 WeakPolarHBondContact O-CG1 3.12Å; K448-I450 VanDerWaalsContact C-N 3.27Å; K448-I450 PolarHBondContact O-N 3.31Å
451	N	85.7	Confident	80.7	Confident	76 Å²	76	60.1 Å²	60.1	41%	0.406	32%	0.315	S	S	.	.			trans	-138.2	160.2	170	69.3	77.2	0	0	0	110.4	D449 E453 S454 S455	D449-N451 PolarHBondContact O-N 3.43Å; D449-N451 PolarHBondContact O-ND2 3.02Å; N451-E453 PolarHBondContact O-N 3.37Å; N451-E453 PolarHBondContact OD1-N 3.05Å; N451-S454 VanDerWaalsContact CG-OG 3.3Å; N451-S454 PolarHBondContact ND2-OG 2.93Å; N451-S454 VanDerWaalsContact ND2-OG 3.13Å; N451-S454 PolarHBondContact O-OG 3.32Å; N451-S454 PolarHBondContact OD1-N 3.13Å; N451-S454 PolarHBondContact OD1-OG 3.06Å; N451-S455 WeakPolarHBondContact O-CB 3.47Å; N451-S455 PolarHBondContact O-N 3.09Å; N451-S455 VanDerWaalsContact O-N 3.17Å; N451-S455 PolarHBondContact O-OG 3Å
452	T	83.7	Confident	80.5	Confident	46 Å²	46	55.2 Å²	55.2	28%	0.282	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-42.2	-174.4	-49.2	0	0	0	0	112	I435 S455 L456	I435-T452 HydrophobicContact CG1-CG2 4.06Å; T452-S455 PolarHBondContact O-N 3.46Å; T452-L456 HydrophobicContact CG2-CD1 3.71Å; T452-L456 HydrophobicContact CG2-CG 4.2Å; T452-L456 WeakPolarHBondContact O-CB 3.4Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.48Å
453	E	83.1	Confident	80.3	Confident	127 Å²	127	48.2 Å²	48.2	59%	0.593	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-49.4	-175.6	-169.5	-169.7	149.8	0	0	112.3	N451 S455 L456 K457	N451-E453 PolarHBondContact O-N 3.37Å; N451-E453 PolarHBondContact OD1-N 3.05Å; E453-S455 VanDerWaalsContact C-N 3.34Å; E453-S455 PolarHBondContact O-N 3.33Å; E453-L456 PolarHBondContact O-N 3.41Å; E453-K457 WeakPolarHBondContact O-CG 3.35Å; E453-K457 PolarHBondContact O-N 2.97Å; E453-K457 VanDerWaalsContact O-N 3.15Å; E453-K457 IonicContact OE1-NZ 3.88Å; E453-K457 PolarHBondContact OE1-NZ 2.91Å
454	S	83.4	Confident	79.8	Confident	14 Å²	14	49.4 Å²	49.4	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-40.1	178.4	63.3	0	0	0	0	111.9	N451 L456 K457 I458	N451-S454 VanDerWaalsContact CG-OG 3.3Å; N451-S454 PolarHBondContact ND2-OG 2.93Å; N451-S454 VanDerWaalsContact ND2-OG 3.13Å; N451-S454 PolarHBondContact O-OG 3.32Å; N451-S454 PolarHBondContact OD1-N 3.13Å; N451-S454 PolarHBondContact OD1-OG 3.06Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 3.44Å; S454-K457 PolarHBondContact O-N 3.27Å; S454-I458 WeakPolarHBondContact O-CG1 3.35Å; S454-I458 PolarHBondContact O-N 2.89Å
455	S	85.6	Confident	79.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-36.9	-179.3	-54	0	0	0	0	112.1	N451 T452 E453 I458 L459	N451-S455 WeakPolarHBondContact O-CB 3.47Å; N451-S455 PolarHBondContact O-N 3.09Å; N451-S455 VanDerWaalsContact O-N 3.17Å; N451-S455 PolarHBondContact O-OG 3Å; T452-S455 PolarHBondContact O-N 3.46Å; E453-S455 VanDerWaalsContact C-N 3.34Å; E453-S455 PolarHBondContact O-N 3.33Å; S455-I458 PolarHBondContact O-N 3.29Å; S455-L459 WeakPolarHBondContact O-CB 3.29Å; S455-L459 PolarHBondContact O-N 3.43Å
456	L	82.5	Confident	78.5	Confident	38 Å²	38	52.8 Å²	52.8	20%	0.199	29%	0.289	C	S	.	.	H	α-helix	trans	-72.5	-34.3	176.8	-66.1	177.6	0	0	0	112.9	L52 A431 T452 E453 S454 L459 S460	L52-L456 HydrophobicContact CD1-CD1 3.77Å; L52-L456 HydrophobicContact CD1-CD2 3.18Å; L52-L456 HydrophobicContact CD1-CG 4.04Å; L52-L456 HydrophobicContact CD2-CB 4.29Å; L52-L456 HydrophobicContact CD2-CD1 3.94Å; L52-L456 HydrophobicContact CD2-CD2 3.98Å; L52-L456 HydrophobicContact CD2-CG 4.26Å; L52-L456 HydrophobicContact CG-CD1 4.29Å; L52-L456 HydrophobicContact CG-CD2 4.17Å; A431-L456 HydrophobicContact CB-CD2 4.07Å; T452-L456 HydrophobicContact CG2-CD1 3.71Å; T452-L456 HydrophobicContact CG2-CG 4.2Å; T452-L456 WeakPolarHBondContact O-CB 3.4Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.48Å; E453-L456 PolarHBondContact O-N 3.41Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-L456 PolarHBondContact O-N 3.44Å; L456-L459 HydrophobicContact CD2-CD2 4.48Å; L456-L459 PolarHBondContact O-N 3.41Å; L456-S460 PolarHBondContact O-N 2.67Å
457	K	79.1	Confident	78	Confident	82 Å²	82	54.5 Å²	54.5	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-41.8	170.5	-73.2	171.5	173.2	171.8	0	111.6	F125 E453 S454 L459 S460 V461	F125-K457 HydrophobicContact CD1-CB 4.11Å; F125-K457 HydrophobicContact CD1-CD 4.19Å; F125-K457 HydrophobicContact CE1-CB 4.18Å; F125-K457 HydrophobicContact CE1-CD 3.45Å; F125-K457 VanDerWaalsContact CE1-CD 3.45Å; F125-K457 HydrophobicContact CE1-CG 4.45Å; F125-K457 HydrophobicContact CZ-CD 3.65Å; E453-K457 WeakPolarHBondContact O-CG 3.35Å; E453-K457 PolarHBondContact O-N 2.97Å; E453-K457 VanDerWaalsContact O-N 3.15Å; E453-K457 IonicContact OE1-NZ 3.88Å; E453-K457 PolarHBondContact OE1-NZ 2.91Å; S454-K457 PolarHBondContact O-N 3.27Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 3.03Å; K457-S460 PolarHBondContact O-N 3.48Å; K457-S460 PolarHBondContact O-OG 3.42Å; K457-V461 VanDerWaalsContact O-CG2 3.32Å; K457-V461 WeakPolarHBondContact O-CG2 3.37Å; K457-V461 PolarHBondContact O-N 3.17Å
458	I	81.7	Confident	77.5	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-44.7	174.6	-72.8	165.5	0	0	0	110.4	P128 A427 S454 S455 S460 V461 C462	P128-I458 VanDerWaalsContact CD-CG2 3.45Å; P128-I458 HydrophobicContact CG-CG2 3.57Å; A427-I458 HydrophobicContact CB-CG2 4.22Å; S454-I458 WeakPolarHBondContact O-CG1 3.35Å; S454-I458 PolarHBondContact O-N 2.89Å; S455-I458 PolarHBondContact O-N 3.29Å; I458-S460 PolarHBondContact O-N 3.41Å; I458-V461 PolarHBondContact O-N 3.24Å; I458-C462 PolarHBondContact O-N 3.23Å; I458-C462 PolarHBondContact O-SG 3.1Å
459	L	82.8	Confident	77.1	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-42.7	176.8	-179.2	60.9	0	0	0	112.6	A427 V428 A431 S455 L456 K457 C462 A463 F542	A427-L459 HydrophobicContact CB-CB 4.33Å; A427-L459 HydrophobicContact CB-CD1 3.82Å; V428-L459 HydrophobicContact CG2-CD1 3.7Å; A431-L459 HydrophobicContact CB-CD2 4.42Å; S455-L459 WeakPolarHBondContact O-CB 3.29Å; S455-L459 PolarHBondContact O-N 3.43Å; L456-L459 HydrophobicContact CD2-CD2 4.48Å; L456-L459 PolarHBondContact O-N 3.41Å; K457-L459 VanDerWaalsContact C-N 3.32Å; K457-L459 PolarHBondContact O-N 3.03Å; L459-C462 PolarHBondContact O-N 3.13Å; L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 2.91Å; L459-F542 HydrophobicContact CD1-CE2 4.03Å; L459-F542 HydrophobicContact CD1-CZ 3.77Å; L459-F542 HydrophobicContact CG-CZ 4.14Å
460	S	77.2	Confident	76.5	Confident	53 Å²	53	49.4 Å²	49.4	37%	0.371	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-39.9	177.4	67.2	0	0	0	0	112.3	L456 K457 I458 A463 A464	L456-S460 PolarHBondContact O-N 2.67Å; K457-S460 PolarHBondContact O-N 3.48Å; K457-S460 PolarHBondContact O-OG 3.42Å; I458-S460 PolarHBondContact O-N 3.41Å; S460-A463 PolarHBondContact O-N 3.14Å; S460-A464 WeakPolarHBondContact O-CB 3.38Å; S460-A464 PolarHBondContact O-N 3.32Å
461	V	76.9	Confident	75.8	Confident	60 Å²	60	50.9 Å²	50.9	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-45.4	175	171.1	0	0	0	0	111.3	I127 K457 I458 A463 A464 N465	I127-V461 HydrophobicContact CD1-CG1 4.24Å; I127-V461 HydrophobicContact CG1-CG1 4.18Å; K457-V461 VanDerWaalsContact O-CG2 3.32Å; K457-V461 WeakPolarHBondContact O-CG2 3.37Å; K457-V461 PolarHBondContact O-N 3.17Å; I458-V461 PolarHBondContact O-N 3.24Å; V461-A463 VanDerWaalsContact C-N 3.34Å; V461-A463 PolarHBondContact O-N 3.4Å; V461-A464 PolarHBondContact O-N 2.87Å; V461-N465 WeakPolarHBondContact O-CB 2.93Å; V461-N465 PolarHBondContact O-N 2.99Å; V461-N465 PolarHBondContact O-ND2 3.14Å
462	C	79	Confident	75.3	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.054	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-43.6	177	-65	0	0	0	0	111.1	M424 A427 I458 L459 A464 N465 A466	M424-C462 HydrophobicContact SD-CB 3.58Å; M424-C462 VanDerWaalsContact SD-CB 3.58Å; M424-C462 VanDerWaalsContact SD-O 3.41Å; A427-C462 HydrophobicContact CB-CB 4.09Å; I458-C462 PolarHBondContact O-N 3.23Å; I458-C462 PolarHBondContact O-SG 3.1Å; L459-C462 PolarHBondContact O-N 3.13Å; C462-A464 PolarHBondContact O-N 3.41Å; C462-N465 PolarHBondContact O-N 3.25Å; C462-A466 WeakPolarHBondContact O-CB 3.42Å; C462-A466 PolarHBondContact O-N 3.11Å
463	A	76.3	Confident	75.1	Confident	7 Å²	7	50.2 Å²	50.2	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-43	178.3	0	0	0	0	0	112.3	M424 L459 S460 V461 F542	M424-A463 HydrophobicContact CE-CB 3.94Å; M424-A463 VanDerWaalsContact SD-CA 3.56Å; M424-A463 HydrophobicContact SD-CB 4.32Å; M424-A463 PolarHBondContact SD-N 3.38Å; L459-A463 WeakPolarHBondContact O-CB 3.37Å; L459-A463 PolarHBondContact O-N 2.91Å; S460-A463 PolarHBondContact O-N 3.14Å; V461-A463 VanDerWaalsContact C-N 3.34Å; V461-A463 PolarHBondContact O-N 3.4Å; A463-F542 HydrophobicContact CB-CD1 4.24Å; A463-F542 HydrophobicContact CB-CE1 3.42Å; A463-F542 VanDerWaalsContact CB-CE1 3.42Å; A463-F542 HydrophobicContact CB-CZ 3.9Å
464	A	71.8	Confident	75.2	Confident	59 Å²	59	45.4 Å²	45.4	49%	0.488	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-47.4	175.2	0	0	0	0	0	111.3	S460 V461 C462 A466 T467	S460-A464 WeakPolarHBondContact O-CB 3.38Å; S460-A464 PolarHBondContact O-N 3.32Å; V461-A464 PolarHBondContact O-N 2.87Å; C462-A464 PolarHBondContact O-N 3.41Å; A464-A466 VanDerWaalsContact C-N 3.34Å; A464-A466 PolarHBondContact O-N 3.45Å; A464-T467 PolarHBondContact O-N 3.36Å; A464-T467 PolarHBondContact O-OG1 3.12Å
465	N	69.8	Low	75.4	Confident	72 Å²	72	50.8 Å²	50.8	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-66.5	-32.7	-178.3	-74.6	-26.6	0	0	0	113.2	V461 C462 T467 S468	V461-N465 WeakPolarHBondContact O-CB 2.93Å; V461-N465 PolarHBondContact O-N 2.99Å; V461-N465 PolarHBondContact O-ND2 3.14Å; C462-N465 PolarHBondContact O-N 3.25Å; N465-T467 PolarHBondContact O-N 3.27Å; N465-T467 VanDerWaalsContact O-N 3.12Å; N465-S468 PolarHBondContact O-N 2.83Å; N465-S468 VanDerWaalsContact O-N 3.08Å; N465-S468 PolarHBondContact O-OG 3.5Å
466	A	70.3	Confident	75.4	Confident	46 Å²	46	53 Å²	53	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-57.2	-27.2	177.4	0	0	0	0	0	113.1	M424 C462 A464	M424-A466 HydrophobicContact CG-CB 4.21Å; M424-A466 HydrophobicContact SD-CB 4.19Å; C462-A466 WeakPolarHBondContact O-CB 3.42Å; C462-A466 PolarHBondContact O-N 3.11Å; A464-A466 VanDerWaalsContact C-N 3.34Å; A464-A466 PolarHBondContact O-N 3.45Å
467	T	63.9	Low	75.6	Confident	100 Å²	100	52.2 Å²	52.2	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-91.8	-14.3	179.7	65	0	0	0	0	114.5	A464 N465 G469	A464-T467 PolarHBondContact O-N 3.36Å; A464-T467 PolarHBondContact O-OG1 3.12Å; N465-T467 PolarHBondContact O-N 3.27Å; N465-T467 VanDerWaalsContact O-N 3.12Å; T467-G469 PolarHBondContact O-N 3.37Å; T467-G469 VanDerWaalsContact O-N 3.17Å
468	S	63.7	Low	76	Confident	54 Å²	54	52.5 Å²	52.5	38%	0.378	33%	0.325	S	S	.	.	S	Bend	trans	-73.9	-7.9	-168.3	70.3	0	0	0	0	115	N465 I470	N465-S468 PolarHBondContact O-N 2.83Å; N465-S468 VanDerWaalsContact O-N 3.08Å; N465-S468 PolarHBondContact O-OG 3.5Å; S468-I470 PolarHBondContact O-N 3.14Å; S468-I470 PolarHBondContact OG-N 2.95Å
469	G	63.1	Low	76.2	Confident	53 Å²	53	55 Å²	55	55%	0.546	34%	0.341	S	S	.	.	S	Bend	trans	67.9	-13.6	-171	0	0	0	0	0	114.3	R420 T467	R420-G469 PolarHBondContact NH1-O 3.06Å; R420-G469 PolarHBondContact NH2-O 3.26Å; T467-G469 PolarHBondContact O-N 3.37Å; T467-G469 VanDerWaalsContact O-N 3.17Å
470	I	63.4	Low	76.3	Confident	126 Å²	126	54.7 Å²	54.7	65%	0.646	34%	0.339	S	S	*	.			trans	-84.1	124.8	179.2	-57.8	168.1	0	0	0	108.7	S468	S468-I470 PolarHBondContact O-N 3.14Å; S468-I470 PolarHBondContact OG-N 2.95Å
471	G	68.6	Low	76.8	Confident	35 Å²	35	53.3 Å²	53.3	36%	0.361	33%	0.327	S	S	.	.	S	Bend	trans	169.2	-178.5	177.9	0	0	0	0	0	111.4	R420	R420-G471 VanDerWaalsContact NH2-CA 3.33Å; R420-G471 VanDerWaalsContact NH2-N 3.1Å; R420-G471 PolarHBondContact NH2-O 3.23Å
472	P	75.5	Confident	77.2	Confident	24 Å²	24	57.4 Å²	57.4	16%	0.156	35%	0.347	C	S	.	.			trans	-58.7	153.2	-179.2	23.9	-34.3	0	0	0	112.5	A415 V416 D419	A415-P472 HydrophobicContact CB-CB 3.75Å; A415-P472 HydrophobicContact CB-CG 4.25Å; V416-P472 WeakPolarHBondContact O-CG 3.46Å; D419-P472 HydrophobicContact CB-CG 4.21Å
473	T	80.1	Confident	77.5	Confident	83 Å²	83	61.8 Å²	61.8	51%	0.509	36%	0.363	S	S	.	.			trans	-115.9	158.9	173.6	61.9	0	0	0	0	109	E475	T473-E475 PolarHBondContact O-N 3.46Å
474	D	85.3	Confident	78	Confident	26 Å²	26	61.7 Å²	61.7	14%	0.139	36%	0.361	C	S	.	.	S	Bend	trans	-86.7	14.1	177.8	-58.6	-38.1	0	0	0	112.8	V416 S417 H476 L477 F478	V416-D474 WeakPolarHBondContact CB-OD1 3.41Å; S417-D474 WeakPolarHBondContact CB-OD1 3.4Å; S417-D474 WeakPolarHBondContact CB-OD2 3.49Å; S417-D474 PolarHBondContact N-OD1 3.34Å; S417-D474 VanDerWaalsContact OG-CG 3.25Å; S417-D474 PolarHBondContact OG-OD1 2.95Å; S417-D474 PolarHBondContact OG-OD2 3.22Å; D474-H476 PolarHBondContact O-N 3.45Å; D474-L477 PolarHBondContact O-N 3.26Å; D474-F478 HydrophobicContact CB-CD2 3.88Å; D474-F478 HydrophobicContact CB-CE1 4.32Å; D474-F478 HydrophobicContact CB-CE2 3.4Å; D474-F478 VanDerWaalsContact CB-CE2 3.4Å; D474-F478 HydrophobicContact CB-CZ 3.64Å; D474-F478 WeakPolarHBondContact O-CD2 3.16Å; D474-F478 WeakPolarHBondContact O-CG 3.44Å; D474-F478 PolarHBondContact O-N 2.88Å
475	E	86.4	Confident	78.6	Confident	128 Å²	128	62 Å²	62	60%	0.598	36%	0.357	S	S	*	.	H	α-helix	trans	-58.5	-47.2	-175.9	-178.5	177.8	178.1	0	0	112.1	T473 T479	T473-E475 PolarHBondContact O-N 3.46Å; E475-T479 VanDerWaalsContact O-CB 3.28Å; E475-T479 WeakPolarHBondContact O-CB 3.47Å; E475-T479 PolarHBondContact O-N 3.39Å; E475-T479 PolarHBondContact O-OG1 3.02Å
476	H	85.2	Confident	79.2	Confident	47 Å²	47	64.6 Å²	64.6	22%	0.218	38%	0.379	C	S	.	.	H	α-helix	trans	-66.1	-39.5	177.5	-68	157.9	0	0	0	111.9	L300 I414 D474 F480	L300-H476 HydrophobicContact CD2-CB 3.84Å; I414-H476 HydrophobicContact CG2-CB 3.85Å; D474-H476 PolarHBondContact O-N 3.45Å; H476-F480 WeakPolarHBondContact O-CB 3.31Å; H476-F480 PolarHBondContact O-N 3.29Å
477	L	87.2	Confident	79.9	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-52.8	176.8	176.3	62.1	0	0	0	110.3	F327 F392 V416 D474 T479 F480 L481	F327-L477 HydrophobicContact CD1-CB 4.11Å; F327-L477 HydrophobicContact CD1-CD1 3.7Å; F327-L477 HydrophobicContact CD1-CG 4.41Å; F327-L477 HydrophobicContact CE1-CB 3.81Å; F327-L477 HydrophobicContact CE1-CD1 3.99Å; F327-L477 HydrophobicContact CE1-CG 4.5Å; F327-L477 HydrophobicContact CG-CD1 4.17Å; F392-L477 HydrophobicContact CE2-CD1 4.04Å; F392-L477 HydrophobicContact CZ-CD1 3.74Å; V416-L477 HydrophobicContact CG1-CB 4.3Å; V416-L477 HydrophobicContact CG1-CD2 4.15Å; D474-L477 PolarHBondContact O-N 3.26Å; L477-T479 PolarHBondContact O-N 3.38Å; L477-F480 PolarHBondContact O-N 3.02Å; L477-L481 HydrophobicContact CD1-CD1 3.8Å; L477-L481 HydrophobicContact CD1-CD2 4.49Å; L477-L481 HydrophobicContact CD1-CG 3.97Å; L477-L481 HydrophobicContact CG-CD1 4Å; L477-L481 HydrophobicContact CG-CG 4.44Å; L477-L481 VanDerWaalsContact O-CG 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.47Å; L477-L481 PolarHBondContact O-N 3.01Å
478	F	86.9	Confident	81.1	Confident	87 Å²	87	66 Å²	66	38%	0.382	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-42	-179.3	-62.6	-39.2	0	0	0	112.4	M181 D474 F480 L481 D482	M181-F478 HydrophobicContact CE-CE1 4.23Å; M181-F478 HydrophobicContact CE-CZ 3.92Å; D474-F478 HydrophobicContact CB-CD2 3.88Å; D474-F478 HydrophobicContact CB-CE1 4.32Å; D474-F478 HydrophobicContact CB-CE2 3.4Å; D474-F478 VanDerWaalsContact CB-CE2 3.4Å; D474-F478 HydrophobicContact CB-CZ 3.64Å; D474-F478 WeakPolarHBondContact O-CD2 3.16Å; D474-F478 WeakPolarHBondContact O-CG 3.44Å; D474-F478 PolarHBondContact O-N 2.88Å; F478-F480 VanDerWaalsContact C-N 3.3Å; F478-F480 PolarHBondContact O-N 3.22Å; F478-L481 PolarHBondContact O-N 3.03Å; F478-D482 VanDerWaalsContact O-CB 3.25Å; F478-D482 WeakPolarHBondContact O-CB 3.14Å; F478-D482 PolarHBondContact O-N 2.97Å
479	T	85.9	Confident	82.4	Confident	58 Å²	58	67.9 Å²	67.9	36%	0.356	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.2	-58.7	0	0	0	0	111.2	E475 L477 R483	E475-T479 VanDerWaalsContact O-CB 3.28Å; E475-T479 WeakPolarHBondContact O-CB 3.47Å; E475-T479 PolarHBondContact O-N 3.39Å; E475-T479 PolarHBondContact O-OG1 3.02Å; L477-T479 PolarHBondContact O-N 3.38Å; T479-R483 VanDerWaalsContact O-CB 3.24Å; T479-R483 WeakPolarHBondContact O-CB 3.31Å; T479-R483 PolarHBondContact O-N 3.32Å
480	F	86.2	Confident	83.9	Confident	1 Å²	1	69 Å²	69	0%	0.004	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-48.8	178.1	-172.3	-85.2	0	0	0	111.2	F189 L191 F298 L300 V329 F392 H476 L477 F478 R483 F484	F189-F480 AromaticContact CE2-CE1 3.99Å; F189-F480 HydrophobicContact CE2-CE1 3.99Å; F189-F480 HydrophobicContact CZ-CD1 4.12Å; F189-F480 AromaticContact CZ-CE1 3.55Å; F189-F480 HydrophobicContact CZ-CE1 3.55Å; L191-F480 HydrophobicContact CD1-CZ 4.24Å; F298-F480 HydrophobicContact CB-CD2 3.85Å; F298-F480 HydrophobicContact CB-CE2 3.63Å; F298-F480 HydrophobicContact CD1-CE2 4.09Å; F298-F480 AromaticContact CG-CE2 3.93Å; F298-F480 HydrophobicContact CG-CE2 3.93Å; L300-F480 HydrophobicContact CD1-CD2 4.04Å; L300-F480 HydrophobicContact CD1-CE2 4.23Å; L300-F480 HydrophobicContact CG-CD2 4.31Å; V329-F480 HydrophobicContact CG1-CE2 3.99Å; V329-F480 HydrophobicContact CG1-CZ 3.85Å; F392-F480 HydrophobicContact CB-CE1 3.91Å; F392-F480 HydrophobicContact CB-CZ 4.37Å; F392-F480 AromaticContact CD2-CD1 3.73Å; F392-F480 HydrophobicContact CD2-CD1 3.73Å; F392-F480 AromaticContact CD2-CE1 3.31Å; F392-F480 HydrophobicContact CD2-CE1 3.31Å; F392-F480 HydrophobicContact CD2-CZ 4.07Å; F392-F480 AromaticContact CE2-CD1 3.95Å; F392-F480 HydrophobicContact CE2-CD1 3.95Å; F392-F480 HydrophobicContact CE2-CE1 4.03Å; F392-F480 HydrophobicContact CG-CD1 4.45Å; F392-F480 AromaticContact CG-CE1 3.79Å; F392-F480 HydrophobicContact CG-CE1 3.79Å; H476-F480 WeakPolarHBondContact O-CB 3.31Å; H476-F480 PolarHBondContact O-N 3.29Å; L477-F480 PolarHBondContact O-N 3.02Å; F478-F480 VanDerWaalsContact C-N 3.3Å; F478-F480 PolarHBondContact O-N 3.22Å; F480-R483 PolarHBondContact O-N 3.36Å; F480-F484 HydrophobicContact CD1-CD2 4.47Å; F480-F484 AromaticContact CD2-CD2 3.95Å; F480-F484 HydrophobicContact CD2-CD2 3.95Å; F480-F484 HydrophobicContact CD2-CE2 4.32Å; F480-F484 HydrophobicContact CE1-CB 4.46Å; F480-F484 HydrophobicContact CE2-CD2 4.12Å; F480-F484 HydrophobicContact CG-CD2 4.14Å; F480-F484 HydrophobicContact CZ-CD2 4.44Å; F480-F484 WeakPolarHBondContact O-CB 3.4Å; F480-F484 VanDerWaalsContact O-CD2 3.27Å; F480-F484 WeakPolarHBondContact O-CD2 3.41Å; F480-F484 PolarHBondContact O-N 2.93Å
481	L	87.5	Confident	85.4	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.131	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-50	-179.8	-66.1	-179.6	0	0	0	112.1	C186 F189 F392 L477 F478 R483 F484 T485	C186-L481 WeakPolarHBondContact SG-CD2 3.45Å; F189-L481 HydrophobicContact CE1-CD2 3.87Å; F189-L481 HydrophobicContact CZ-CD2 4.35Å; F392-L481 HydrophobicContact CE1-CD2 3.85Å; F392-L481 HydrophobicContact CE2-CD2 4.34Å; F392-L481 HydrophobicContact CZ-CD2 3.76Å; L477-L481 HydrophobicContact CD1-CD1 3.8Å; L477-L481 HydrophobicContact CD1-CD2 4.49Å; L477-L481 HydrophobicContact CD1-CG 3.97Å; L477-L481 HydrophobicContact CG-CD1 4Å; L477-L481 HydrophobicContact CG-CG 4.44Å; L477-L481 VanDerWaalsContact O-CG 3.29Å; L477-L481 WeakPolarHBondContact O-CG 3.47Å; L477-L481 PolarHBondContact O-N 3.01Å; F478-L481 PolarHBondContact O-N 3.03Å; L481-R483 PolarHBondContact O-N 2.97Å; L481-R483 VanDerWaalsContact O-N 3.17Å; L481-F484 PolarHBondContact O-N 2.76Å; L481-T485 WeakPolarHBondContact CA-OG1 3.3Å; L481-T485 WeakPolarHBondContact O-CB 3.4Å; L481-T485 PolarHBondContact O-N 3.15Å; L481-T485 PolarHBondContact O-OG1 3.09Å
482	D	84.8	Confident	86.7	Confident	146 Å²	146	65.4 Å²	65.4	78%	0.781	36%	0.356	S	S	*	.	H	α-helix	trans	-54.3	-39.6	178	-177.6	63.8	0	0	0	111.8	F478	F478-D482 VanDerWaalsContact O-CB 3.25Å; F478-D482 WeakPolarHBondContact O-CB 3.14Å; F478-D482 PolarHBondContact O-N 2.97Å
483	R	85.4	Confident	87.7	Confident	100 Å²	100	69.1 Å²	69.1	38%	0.377	37%	0.371	S	S	.	.	H	α-helix	trans	-81.4	-34	-176.5	-167.5	170.5	-176.4	-153.6	-6.8	114	I297 S299 T479 F480 L481 R487	I297-R483 PolarHBondContact O-NH1 2.99Å; I297-R483 VanDerWaalsContact O-NH1 3.16Å; S299-R483 PolarHBondContact OG-NH1 3.43Å; T479-R483 VanDerWaalsContact O-CB 3.24Å; T479-R483 WeakPolarHBondContact O-CB 3.31Å; T479-R483 PolarHBondContact O-N 3.32Å; F480-R483 PolarHBondContact O-N 3.36Å; L481-R483 PolarHBondContact O-N 2.97Å; L481-R483 VanDerWaalsContact O-N 3.17Å; R483-R487 WeakPolarHBondContact O-CD 3.43Å; R483-R487 PolarHBondContact O-NE 3.01Å
484	F	88	Confident	88.5	Confident	5 Å²	5	66 Å²	66	2%	0.022	35%	0.352	C	S	.	.	H	α-helix	trans	-121.4	-18.5	-164.6	-62.4	-68.3	0	0	0	115.6	F189 L191 M194 F298 F480 L481 C486 R487 G488	F189-F484 HydrophobicContact CE2-CB 4.11Å; F189-F484 HydrophobicContact CZ-CB 4.27Å; L191-F484 HydrophobicContact CD1-CB 4.02Å; L191-F484 HydrophobicContact CD1-CD1 4.04Å; L191-F484 HydrophobicContact CD1-CG 4.06Å; L191-F484 HydrophobicContact CD2-CB 4.01Å; L191-F484 HydrophobicContact CD2-CD1 4.32Å; M194-F484 HydrophobicContact CE-CD1 4.32Å; M194-F484 HydrophobicContact CE-CE1 4.44Å; F298-F484 HydrophobicContact CB-CE2 3.99Å; F298-F484 HydrophobicContact CB-CZ 4.38Å; F298-F484 HydrophobicContact CD1-CD2 4.34Å; F298-F484 HydrophobicContact CD1-CE1 4.06Å; F298-F484 AromaticContact CD1-CE2 3.87Å; F298-F484 HydrophobicContact CD1-CE2 3.87Å; F298-F484 AromaticContact CD1-CZ 3.71Å; F298-F484 HydrophobicContact CD1-CZ 3.71Å; F298-F484 HydrophobicContact CE1-CE1 4.46Å; F298-F484 HydrophobicContact CE1-CZ 4.49Å; F298-F484 HydrophobicContact CG-CE2 4.45Å; F480-F484 HydrophobicContact CD1-CD2 4.47Å; F480-F484 AromaticContact CD2-CD2 3.95Å; F480-F484 HydrophobicContact CD2-CD2 3.95Å; F480-F484 HydrophobicContact CD2-CE2 4.32Å; F480-F484 HydrophobicContact CE1-CB 4.46Å; F480-F484 HydrophobicContact CE2-CD2 4.12Å; F480-F484 HydrophobicContact CG-CD2 4.14Å; F480-F484 HydrophobicContact CZ-CD2 4.44Å; F480-F484 WeakPolarHBondContact O-CB 3.4Å; F480-F484 VanDerWaalsContact O-CD2 3.27Å; F480-F484 WeakPolarHBondContact O-CD2 3.41Å; F480-F484 PolarHBondContact O-N 2.93Å; L481-F484 PolarHBondContact O-N 2.76Å; F484-C486 VanDerWaalsContact C-N 3.29Å; F484-C486 PolarHBondContact O-N 2.68Å; F484-R487 PolarHBondContact O-N 3.37Å; F484-G488 PolarHBondContact O-N 2.96Å
485	T	83.7	Confident	88.9	Confident	66 Å²	66	68 Å²	68	41%	0.405	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-43.1	-180	-63.4	0	0	0	0	111.7	L481 R487	L481-T485 WeakPolarHBondContact CA-OG1 3.3Å; L481-T485 WeakPolarHBondContact O-CB 3.4Å; L481-T485 PolarHBondContact O-N 3.15Å; L481-T485 PolarHBondContact O-OG1 3.09Å; T485-R487 VanDerWaalsContact C-N 3.29Å; T485-R487 PolarHBondContact O-N 3.37Å
486	C	82.7	Confident	89.1	Confident	126 Å²	126	63.4 Å²	63.4	85%	0.851	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.5	177.8	-58.3	0	0	0	0	114.5	F484	F484-C486 VanDerWaalsContact C-N 3.29Å; F484-C486 PolarHBondContact O-N 2.68Å
487	R	85.3	Confident	89.4	Confident	162 Å²	162	65.8 Å²	65.8	61%	0.611	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-22.8	178.2	-59.8	-176.8	-174.9	-157.3	-1.8	112.3	L191 R483 F484 T485	L191-R487 HydrophobicContact CD2-CB 4.23Å; R483-R487 WeakPolarHBondContact O-CD 3.43Å; R483-R487 PolarHBondContact O-NE 3.01Å; F484-R487 PolarHBondContact O-N 3.37Å; T485-R487 VanDerWaalsContact C-N 3.29Å; T485-R487 PolarHBondContact O-N 3.37Å
488	G	87.5	Confident	89.6	Confident	14 Å²	14	69 Å²	69	14%	0.144	37%	0.368	C	S	.	.	S	Bend	trans	-77.3	151.4	176.3	0	0	0	0	0	112.1	V190 F484	V190-G488 WeakPolarHBondContact O-CA 3.33Å; F484-G488 PolarHBondContact O-N 2.96Å
489	N	92.3	Very high	89.8	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.5	164.8	-60.3	-66.8	0	0	0	107.5	F189 V190 V491	F189-N489 CarbonylContact C-O 3.4Å; F189-N489 VanDerWaalsContact CA-O 3.29Å; F189-N489 WeakPolarHBondContact CA-O 3.35Å; F189-N489 WeakPolarHBondContact CB-O 3.26Å; V190-N489 PolarHBondContact N-O 3.3Å; V190-N489 PolarHBondContact O-N 2.89Å; N489-V491 PolarHBondContact O-N 3.44Å
490	A	93.4	Very high	89.9	Confident	77 Å²	77	63.3 Å²	63.3	64%	0.636	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	137.8	171.8	0	0	0	0	0	109.8
491	V	96	Very high	90	Very high	6 Å²	6	70.1 Å²	70.1	4%	0.036	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67.6	125.3	175.2	179.3	0	0	0	0	108	P188 V190 L341 R381 L382 V383 L391 N489	P188-V491 HydrophobicContact CB-CB 4.45Å; P188-V491 HydrophobicContact CB-CG2 3.99Å; P188-V491 HydrophobicContact CG-CB 4.15Å; P188-V491 HydrophobicContact CG-CG2 4.24Å; P188-V491 PolarHBondContact O-N 2.93Å; V190-V491 HydrophobicContact CG2-CG2 4.14Å; L341-V491 HydrophobicContact CD1-CG1 4.21Å; R381-V491 HydrophobicContact CB-CB 4.23Å; R381-V491 HydrophobicContact CB-CG1 3.66Å; R381-V491 WeakPolarHBondContact CD-O 3.42Å; L382-V491 VanDerWaalsContact C-CG1 3.49Å; L382-V491 WeakPolarHBondContact O-CG1 3.07Å; V383-V491 HydrophobicContact CB-CG1 3.93Å; V383-V491 HydrophobicContact CB-CG2 4.33Å; V383-V491 HydrophobicContact CG1-CG1 4.12Å; V383-V491 HydrophobicContact CG1-CG2 4.09Å; L391-V491 HydrophobicContact CD1-CG2 3.96Å; N489-V491 PolarHBondContact O-N 3.44Å
492	P	96	Very high	89.9	Confident	78 Å²	78	71.5 Å²	71.5	51%	0.506	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-70.3	142.6	-175.6	28.2	-35	0	0	0	111.6	R381 L382	R381-P492 CarbonylContact C-O 3.56Å; R381-P492 VanDerWaalsContact CA-O 3.32Å; R381-P492 WeakPolarHBondContact CA-O 3.23Å; L382-P492 PolarHBondContact N-O 3.46Å; L382-P492 WeakPolarHBondContact O-CD 3.32Å; L382-P492 WeakPolarHBondContact O-CG 3.49Å
493	Q	96.5	Very high	89.7	Confident	102 Å²	102	64.7 Å²	64.7	48%	0.477	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-70.5	142.7	165.6	-172	171.7	-30.3	0	0	110.3	P380 R381	P380-Q493 CarbonylContact O-C 3.49Å; P380-Q493 VanDerWaalsContact O-CA 3.29Å; P380-Q493 WeakPolarHBondContact O-CA 3.38Å; P380-Q493 WeakPolarHBondContact O-CG 3.4Å; R381-Q493 VanDerWaalsContact NH1-CB 3.3Å
494	V	95.5	Very high	88.8	Confident	19 Å²	19	66.7 Å²	66.7	12%	0.115	36%	0.355	C	S	.	.			trans	-118.7	156.8	172.2	-62.8	0	0	0	0	110.7	P380 L382 E498	P380-V494 HydrophobicContact CB-CG2 4.02Å; P380-V494 HydrophobicContact CG-CG2 3.87Å; P380-V494 WeakPolarHBondContact CG-O 3.24Å; P380-V494 PolarHBondContact O-N 3.18Å; L382-V494 HydrophobicContact CB-CG1 3.74Å; L382-V494 HydrophobicContact CB-CG2 4.06Å; V494-E498 VanDerWaalsContact CA-OE2 3.31Å; V494-E498 WeakPolarHBondContact CA-OE2 3.49Å; V494-E498 HydrophobicContact CB-CB 4.04Å; V494-E498 WeakPolarHBondContact CB-OE2 3.38Å
495	T	94.4	Very high	87.2	Confident	67 Å²	67	69.1 Å²	69.1	41%	0.411	37%	0.367	S	S	.	.			trans	-77.5	164.1	172.7	85.6	0	0	0	0	111.1	E497 E498 L499	T495-E497 VanDerWaalsContact C-N 3.27Å; T495-E497 PolarHBondContact O-N 3.16Å; T495-E497 PolarHBondContact OG1-N 3.25Å; T495-E497 PolarHBondContact OG1-OE2 2.87Å; T495-E498 PolarHBondContact N-OE2 3Å; T495-E498 WeakPolarHBondContact O-CB 3.49Å; T495-E498 PolarHBondContact O-N 3.3Å; T495-E498 PolarHBondContact OG1-N 3.37Å; T495-L499 PolarHBondContact O-N 3.31Å
496	Y	91.3	Very high	85.5	Confident	32 Å²	32	72 Å²	72	13%	0.125	39%	0.39	C	S	.	.	H	α-helix	trans	-59.7	-38	173.3	172.9	-98.5	0	0	0	112.5	P371 P372 L375 R376 E498 L499 C500	P371-Y496 HydrophobicContact CB-CE2 3.86Å; P371-Y496 PolarHBondContact O-OH 2.91Å; P372-Y496 WeakPolarHBondContact O-CE2 3.35Å; L375-Y496 HydrophobicContact CB-CD2 4.16Å; L375-Y496 HydrophobicContact CB-CE2 4.13Å; R376-Y496 HydrophobicContact CB-CD1 4Å; R376-Y496 HydrophobicContact CB-CD2 4.17Å; R376-Y496 HydrophobicContact CB-CG 3.77Å; Y496-E498 VanDerWaalsContact C-N 3.32Å; Y496-E498 PolarHBondContact O-N 3.36Å; Y496-L499 WeakPolarHBondContact O-CB 3.33Å; Y496-L499 PolarHBondContact O-N 3.02Å; Y496-C500 PolarHBondContact O-N 3.15Å; Y496-C500 PolarHBondContact O-SG 3.1Å; Y496-C500 VanDerWaalsContact O-SG 3.33Å
497	E	90.7	Very high	83.4	Confident	96 Å²	96	69.3 Å²	69.3	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-65.7	-36.2	176.5	-62.6	70.3	-153	0	0	111.9	T495 K501	T495-E497 VanDerWaalsContact C-N 3.27Å; T495-E497 PolarHBondContact O-N 3.16Å; T495-E497 PolarHBondContact OG1-N 3.25Å; T495-E497 PolarHBondContact OG1-OE2 2.87Å; E497-K501 VanDerWaalsContact O-CG 3.26Å; E497-K501 WeakPolarHBondContact O-CG 3.32Å; E497-K501 PolarHBondContact O-N 3.27Å
498	E	91.9	Very high	81.1	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-69.3	-43.4	172.9	-69	173.9	152.1	0	0	111.3	V494 T495 Y496 C500 K501 I502	V494-E498 VanDerWaalsContact CA-OE2 3.31Å; V494-E498 WeakPolarHBondContact CA-OE2 3.49Å; V494-E498 HydrophobicContact CB-CB 4.04Å; V494-E498 WeakPolarHBondContact CB-OE2 3.38Å; T495-E498 PolarHBondContact N-OE2 3Å; T495-E498 WeakPolarHBondContact O-CB 3.49Å; T495-E498 PolarHBondContact O-N 3.3Å; T495-E498 PolarHBondContact OG1-N 3.37Å; Y496-E498 VanDerWaalsContact C-N 3.32Å; Y496-E498 PolarHBondContact O-N 3.36Å; E498-C500 PolarHBondContact O-N 2.92Å; E498-K501 PolarHBondContact O-N 3.37Å; E498-I502 WeakPolarHBondContact O-CD1 3.43Å; E498-I502 WeakPolarHBondContact O-CG1 3.5Å; E498-I502 PolarHBondContact O-N 3.16Å
499	L	91.1	Very high	78.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-54	-53.2	173.6	175.2	65.9	0	0	0	110.5	I340 F342 P371 P380 T495 Y496 K501 I502 V503	I340-L499 HydrophobicContact CD1-CD1 3.82Å; I340-L499 HydrophobicContact CG2-CD1 3.77Å; F342-L499 HydrophobicContact CZ-CD2 4.3Å; P371-L499 HydrophobicContact CB-CD2 4.3Å; P371-L499 HydrophobicContact CG-CD2 4.35Å; P371-L499 HydrophobicContact CG-CG 4.31Å; P380-L499 HydrophobicContact CB-CD2 4.49Å; P380-L499 HydrophobicContact CG-CD2 4.32Å; T495-L499 PolarHBondContact O-N 3.31Å; Y496-L499 WeakPolarHBondContact O-CB 3.33Å; Y496-L499 PolarHBondContact O-N 3.02Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 3.19Å; L499-I502 PolarHBondContact O-N 3.09Å; L499-I502 VanDerWaalsContact O-N 3.1Å; L499-V503 HydrophobicContact CD1-CG1 3.92Å; L499-V503 VanDerWaalsContact O-CG2 3.27Å; L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.45Å
500	C	88.3	Confident	76.7	Confident	26 Å²	26	67.9 Å²	67.9	18%	0.176	40%	0.399	C	S	.	.	H	α-helix	trans	-55.2	-46.8	177.9	-71.9	0	0	0	0	112.2	Y496 E498 I502 V503 E504	Y496-C500 PolarHBondContact O-N 3.15Å; Y496-C500 PolarHBondContact O-SG 3.1Å; Y496-C500 VanDerWaalsContact O-SG 3.33Å; E498-C500 PolarHBondContact O-N 2.92Å; C500-I502 VanDerWaalsContact C-N 3.27Å; C500-I502 PolarHBondContact O-N 2.92Å; C500-V503 PolarHBondContact O-N 2.8Å; C500-E504 WeakPolarHBondContact O-CB 3.48Å; C500-E504 VanDerWaalsContact O-CG 3.25Å; C500-E504 WeakPolarHBondContact O-CG 3.29Å; C500-E504 PolarHBondContact O-N 2.99Å
501	K	87.5	Confident	74.5	Confident	145 Å²	145	73.9 Å²	73.9	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-62.6	-32.6	178.4	-73.1	169.6	-175.2	173.6	0	113.4	E497 E498 L499	E497-K501 VanDerWaalsContact O-CG 3.26Å; E497-K501 WeakPolarHBondContact O-CG 3.32Å; E497-K501 PolarHBondContact O-N 3.27Å; E498-K501 PolarHBondContact O-N 3.37Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 3.19Å
502	I	86.1	Confident	72.3	Confident	53 Å²	53	79.3 Å²	79.3	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-81.6	-35.4	-176.5	-67.2	164.7	0	0	0	111.5	R338 L382 E498 L499 C500	R338-I502 PolarHBondContact NH1-O 2.8Å; L382-I502 HydrophobicContact CD1-CB 4.34Å; L382-I502 HydrophobicContact CD1-CD1 3.57Å; L382-I502 HydrophobicContact CD1-CG2 3.86Å; L382-I502 HydrophobicContact CD2-CD1 4.2Å; L382-I502 HydrophobicContact CG-CD1 4.5Å; E498-I502 WeakPolarHBondContact O-CD1 3.43Å; E498-I502 WeakPolarHBondContact O-CG1 3.5Å; E498-I502 PolarHBondContact O-N 3.16Å; L499-I502 PolarHBondContact O-N 3.09Å; L499-I502 VanDerWaalsContact O-N 3.1Å; C500-I502 VanDerWaalsContact C-N 3.27Å; C500-I502 PolarHBondContact O-N 2.92Å
503	V	80.9	Confident	69.9	Low	4 Å²	4	78.9 Å²	78.9	2%	0.024	45%	0.445	C	S	.	.	H	α-helix	trans	-87.7	-13.9	179.3	-57.2	0	0	0	0	113.7	I340 L368 P371 L499 C500 H505	I340-V503 HydrophobicContact CD1-CG1 3.51Å; L368-V503 VanDerWaalsContact O-CB 3.25Å; L368-V503 WeakPolarHBondContact O-CB 3.45Å; L368-V503 WeakPolarHBondContact O-CG1 3.41Å; L368-V503 WeakPolarHBondContact O-CG2 3.32Å; P371-V503 HydrophobicContact CG-CG2 3.55Å; L499-V503 HydrophobicContact CD1-CG1 3.92Å; L499-V503 VanDerWaalsContact O-CG2 3.27Å; L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.45Å; C500-V503 PolarHBondContact O-N 2.8Å; V503-H505 VanDerWaalsContact C-N 3.31Å; V503-H505 PolarHBondContact O-N 3.19Å
504	E	66.5	Low	67.5	Low	141 Å²	141	81 Å²	81	66%	0.659	47%	0.465	S	S	*	.			trans	-48.2	94	174.7	-99.6	173.4	-153	0	0	110	C500	C500-E504 WeakPolarHBondContact O-CB 3.48Å; C500-E504 VanDerWaalsContact O-CG 3.25Å; C500-E504 WeakPolarHBondContact O-CG 3.29Å; C500-E504 PolarHBondContact O-N 2.99Å
505	H	53.3	Low	65.5	Low	56 Å²	56	88.9 Å²	88.9	26%	0.259	50%	0.501	S	S	.	.			trans	-67	137.1	167	-106.7	77.4	0	0	0	107.2	F369 Q402 V503 G507	F369-H505 AromaticContact CD1-CE1 3.62Å; F369-H505 AromaticContact CD1-ND1 3.2Å; F369-H505 WeakPolarHBondContact CD1-ND1 3.24Å; F369-H505 AromaticContact CE1-CE1 3.17Å; F369-H505 WeakPolarHBondContact CE1-CE1 3.3Å; F369-H505 AromaticContact CE1-ND1 3.28Å; F369-H505 VanDerWaalsContact CE1-ND1 3.28Å; F369-H505 WeakPolarHBondContact CE1-ND1 3.18Å; F369-H505 AromaticContact CZ-CE1 3.8Å; Q402-H505 PolarHBondContact NE2-CE1 3.47Å; Q402-H505 VanDerWaalsContact NE2-CE1 3.32Å; V503-H505 VanDerWaalsContact C-N 3.31Å; V503-H505 PolarHBondContact O-N 3.19Å; H505-G507 PolarHBondContact O-N 2.95Å
506	S	47.7	Very low	63.5	Low	127 Å²	127	93.6 Å²	93.6	89%	0.888	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	94.7	-179	42.2	0	0	0	0	112.9
507	G	39.7	Very low	62.2	Low	70 Å²	70	96.2 Å²	96.2	72%	0.722	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.8	-7.5	160	0	0	0	0	0	118.9	H505	H505-G507 PolarHBondContact O-N 2.95Å
508	C	37.8	Very low	61.1	Low	61 Å²	61	96.3 Å²	96.3	41%	0.412	56%	0.557	S	S	.	*			trans	-103.4	97	-173	-82.1	0	0	0	0	114.5	A510	C508-A510 PolarHBondContact O-N 3.06Å
509	T	40.8	Very low	60.3	Low	140 Å²	140	98.5 Å²	98.5	86%	0.859	57%	0.571	S	S	*	*			trans	-88.3	68.2	164.3	58.6	0	0	0	0	110.1	K511	T509-K511 PolarHBondContact O-N 2.75Å; T509-K511 VanDerWaalsContact O-N 3.11Å
510	A	45.9	Very low	59.8	Low	38 Å²	38	103.7 Å²	103.7	31%	0.314	60%	0.595	S	S	.	*			trans	-71.3	108.5	179.4	0	0	0	0	0	110.7	P229 C508 H512	P229-A510 HydrophobicContact CB-CB 3.76Å; P229-A510 HydrophobicContact CG-CB 3.38Å; C508-A510 PolarHBondContact O-N 3.06Å; A510-H512 PolarHBondContact O-N 2.93Å
511	K	46.3	Very low	59.4	Low	203 Å²	203	104.5 Å²	104.5	88%	0.883	60%	0.599	S	S	*	*			trans	-69.5	117.1	165.5	-73.4	-174.6	179.1	179.6	0	107.6	T509 G513	T509-K511 PolarHBondContact O-N 2.75Å; T509-K511 VanDerWaalsContact O-N 3.11Å; K511-G513 PolarHBondContact O-N 3.42Å
512	H	49.4	Very low	59.1	Low	120 Å²	120	99.1 Å²	99.1	56%	0.556	59%	0.585	S	S	*	*			trans	-58.2	110	171.8	-75	44.9	0	0	0	108.6	A510	A510-H512 PolarHBondContact O-N 2.93Å
513	G	46.2	Very low	58.9	Low	68 Å²	68	100.8 Å²	100.8	70%	0.701	59%	0.594	S	S	*	*			trans	-67.6	134.7	171.4	0	0	0	0	0	109.7	K511 E515	K511-G513 PolarHBondContact O-N 3.42Å; G513-E515 PolarHBondContact O-N 3.45Å; G513-E515 VanDerWaalsContact O-N 3.08Å
514	T	47	Very low	59.1	Low	147 Å²	147	102.7 Å²	102.7	90%	0.902	61%	0.605	S	S	*	*			trans	-81.1	49.8	171.2	45.3	0	0	0	0	110.9
515	E	52.7	Low	60.2	Low	184 Å²	184	96.1 Å²	96.1	86%	0.86	58%	0.575	S	S	*	*			trans	-77.1	138.6	166.5	-81.7	-172	167.7	0	0	109.2	G513 A517	G513-E515 PolarHBondContact O-N 3.45Å; G513-E515 VanDerWaalsContact O-N 3.08Å; E515-A517 PolarHBondContact O-N 2.86Å
516	I	52.5	Low	61.8	Low	166 Å²	166	95.5 Å²	95.5	85%	0.851	58%	0.577	S	S	*	*			trans	-68.5	101.2	173.9	-60.5	171.7	0	0	0	105.7	T518	I516-T518 PolarHBondContact O-N 3.06Å; I516-T518 VanDerWaalsContact O-N 3.16Å
517	A	62.9	Low	63.7	Low	87 Å²	87	92.1 Å²	92.1	72%	0.719	56%	0.556	S	S	*	*			trans	-57.2	120.5	175.3	0	0	0	0	0	109	E515	E515-A517 PolarHBondContact O-N 2.86Å
518	T	69	Low	66	Low	99 Å²	99	90.4 Å²	90.4	61%	0.607	53%	0.53	S	S	*	.			trans	-66.6	133.9	166.4	42.7	0	0	0	0	108	I516 E520	I516-T518 PolarHBondContact O-N 3.06Å; I516-T518 VanDerWaalsContact O-N 3.16Å; T518-E520 PolarHBondContact O-N 3.08Å; T518-E520 PolarHBondContact OG1-OE1 3.4Å
519	I	74.5	Confident	68.6	Low	134 Å²	134	87.5 Å²	87.5	69%	0.687	51%	0.511	S	S	*	.			trans	-71.8	111.3	174.5	-61.7	173.2	0	0	0	107	D523 V524	I519-D523 HydrophobicContact CG2-CB 4.15Å; I519-V524 HydrophobicContact CG2-CG2 3.71Å
520	E	79.9	Confident	71.1	Confident	109 Å²	109	81.9 Å²	81.9	51%	0.509	48%	0.477	S	S	.	.			trans	-87.9	164	178.1	-64	-57.8	142.9	0	0	110.9	T518 G522 D523 V524	T518-E520 PolarHBondContact O-N 3.08Å; T518-E520 PolarHBondContact OG1-OE1 3.4Å; E520-G522 PolarHBondContact O-N 3.33Å; E520-D523 PolarHBondContact N-OD2 3.26Å; E520-D523 WeakPolarHBondContact O-CB 3.43Å; E520-D523 PolarHBondContact O-N 3.17Å; E520-V524 PolarHBondContact O-N 3.46Å
521	V	80.2	Confident	73.4	Confident	43 Å²	43	81.1 Å²	81.1	26%	0.261	47%	0.469	S	S	.	.	H	α-helix	trans	-57.3	-35.3	176.8	177.1	0	0	0	0	111.2	P34 D523 V524 L525	P34-V521 HydrophobicContact CB-CG2 3.79Å; V521-D523 VanDerWaalsContact C-N 3.35Å; V521-D523 PolarHBondContact O-N 3.41Å; V521-V524 PolarHBondContact O-N 3.02Å; V521-L525 HydrophobicContact CG1-CD1 3.96Å; V521-L525 HydrophobicContact CG1-CG 4.31Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.47Å; V521-L525 PolarHBondContact O-N 3.01Å
522	G	81.6	Confident	75.6	Confident	32 Å²	32	75 Å²	75	33%	0.33	45%	0.45	S	S	.	.	H	α-helix	trans	-62	-37.3	176.1	0	0	0	0	0	113.4	E520 L525 S526	E520-G522 PolarHBondContact O-N 3.33Å; G522-L525 PolarHBondContact O-N 3.3Å; G522-S526 WeakPolarHBondContact O-CB 3.46Å; G522-S526 PolarHBondContact O-N 3.24Å; G522-S526 PolarHBondContact O-OG 2.97Å
523	D	81.8	Confident	77.6	Confident	87 Å²	87	71.9 Å²	71.9	47%	0.465	44%	0.439	S	S	.	.	H	α-helix	trans	-67	-42.6	177.3	-60.5	-49.5	0	0	0	111	I519 E520 V521 S526 A527	I519-D523 HydrophobicContact CG2-CB 4.15Å; E520-D523 PolarHBondContact N-OD2 3.26Å; E520-D523 WeakPolarHBondContact O-CB 3.43Å; E520-D523 PolarHBondContact O-N 3.17Å; V521-D523 VanDerWaalsContact C-N 3.35Å; V521-D523 PolarHBondContact O-N 3.41Å; D523-S526 PolarHBondContact O-N 3.24Å; D523-A527 WeakPolarHBondContact O-CB 3.38Å; D523-A527 PolarHBondContact O-N 3.47Å
524	V	85.2	Confident	79.8	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.267	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-42	178.4	-171.5	0	0	0	0	111	L38 I519 E520 V521 A527 I528	L38-V524 HydrophobicContact CD2-CB 3.67Å; L38-V524 HydrophobicContact CD2-CG1 3.43Å; L38-V524 VanDerWaalsContact CD2-CG1 3.43Å; L38-V524 HydrophobicContact CD2-CG2 4.26Å; I519-V524 HydrophobicContact CG2-CG2 3.71Å; E520-V524 PolarHBondContact O-N 3.46Å; V521-V524 PolarHBondContact O-N 3.02Å; V524-A527 PolarHBondContact O-N 3.04Å; V524-I528 HydrophobicContact CG1-CD1 4.09Å; V524-I528 VanDerWaalsContact O-CG1 3.3Å; V524-I528 WeakPolarHBondContact O-CG1 3.49Å; V524-I528 PolarHBondContact O-N 3.22Å
525	L	88.8	Confident	81.9	Confident	4 Å²	4	65 Å²	65	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-44.8	174.2	-77.1	171.4	0	0	0	111.5	L355 L436 I439 I440 V521 G522 A527 I528 L529	L355-L525 HydrophobicContact CD1-CB 3.8Å; L436-L525 HydrophobicContact CD1-CD2 4.23Å; I439-L525 HydrophobicContact CD1-CD2 3.73Å; I439-L525 HydrophobicContact CG1-CD2 4.26Å; I440-L525 HydrophobicContact CG1-CD1 3.97Å; I440-L525 HydrophobicContact CG1-CD2 4.05Å; V521-L525 HydrophobicContact CG1-CD1 3.96Å; V521-L525 HydrophobicContact CG1-CG 4.31Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.47Å; V521-L525 PolarHBondContact O-N 3.01Å; G522-L525 PolarHBondContact O-N 3.3Å; L525-A527 VanDerWaalsContact C-N 3.28Å; L525-A527 PolarHBondContact O-N 3.06Å; L525-I528 PolarHBondContact O-N 2.82Å; L525-L529 WeakPolarHBondContact O-CB 3.23Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 3.47Å
526	S	88.7	Confident	83.6	Confident	42 Å²	42	64.8 Å²	64.8	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-38.5	178.7	-59.4	0	0	0	0	111.7	S353 G522 D523 L529 S530	S353-S526 VanDerWaalsContact OG-CA 3.26Å; S353-S526 WeakPolarHBondContact OG-CA 3.45Å; S353-S526 PolarHBondContact OG-O 2.88Å; G522-S526 WeakPolarHBondContact O-CB 3.46Å; G522-S526 PolarHBondContact O-N 3.24Å; G522-S526 PolarHBondContact O-OG 2.97Å; D523-S526 PolarHBondContact O-N 3.24Å; S526-L529 CarbonylContact O-C 3.57Å; S526-L529 PolarHBondContact O-N 2.88Å; S526-S530 PolarHBondContact O-N 2.79Å
527	A	87.6	Confident	85.3	Confident	56 Å²	56	58.4 Å²	58.4	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-42.9	174.8	0	0	0	0	0	112.7	D523 V524 L525 L529 S530 V533	D523-A527 WeakPolarHBondContact O-CB 3.38Å; D523-A527 PolarHBondContact O-N 3.47Å; V524-A527 PolarHBondContact O-N 3.04Å; L525-A527 VanDerWaalsContact C-N 3.28Å; L525-A527 PolarHBondContact O-N 3.06Å; A527-L529 VanDerWaalsContact C-N 3.27Å; A527-L529 PolarHBondContact O-N 3.43Å; A527-S530 WeakPolarHBondContact O-CB 3.39Å; A527-S530 PolarHBondContact O-N 2.75Å; A527-S530 PolarHBondContact O-OG 3.09Å; A527-V533 WeakPolarHBondContact O-CG2 3.42Å
528	I	88.1	Confident	86.5	Confident	34 Å²	34	55.4 Å²	55.4	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-38.9	175.6	-70.1	165.6	0	0	0	110.9	L436 V524 L525 S530 V533	L436-I528 HydrophobicContact CD1-CG2 4.07Å; V524-I528 HydrophobicContact CG1-CD1 4.09Å; V524-I528 VanDerWaalsContact O-CG1 3.3Å; V524-I528 WeakPolarHBondContact O-CG1 3.49Å; V524-I528 PolarHBondContact O-N 3.22Å; L525-I528 PolarHBondContact O-N 2.82Å; I528-S530 VanDerWaalsContact C-N 3.31Å; I528-V533 WeakPolarHBondContact O-CB 3.49Å; I528-V533 WeakPolarHBondContact O-CG1 3.48Å
529	L	92.2	Very high	87.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.4	-177.3	-63.4	165	0	0	0	112.6	H354 L355 C432 I433 I440 L525 S526 A527 I534	H354-L529 HydrophobicContact CB-CB 4.48Å; H354-L529 PolarHBondContact N-O 2.82Å; H354-L529 PolarHBondContact ND1-O 3.26Å; L355-L529 HydrophobicContact CD1-CD1 3.67Å; L355-L529 HydrophobicContact CD2-CD1 3.85Å; L355-L529 HydrophobicContact CG-CD1 3.53Å; C432-L529 HydrophobicContact CB-CD2 3.95Å; I433-L529 HydrophobicContact CD1-CD1 3.49Å; I433-L529 VanDerWaalsContact CD1-CD1 3.49Å; I433-L529 HydrophobicContact CD1-CD2 3.93Å; I433-L529 HydrophobicContact CD1-CG 4.35Å; I433-L529 HydrophobicContact CG1-CD2 4.29Å; I440-L529 HydrophobicContact CD1-CD1 4.43Å; L525-L529 WeakPolarHBondContact O-CB 3.23Å; L525-L529 WeakPolarHBondContact O-CG 3.38Å; L525-L529 PolarHBondContact O-N 3.47Å; S526-L529 CarbonylContact O-C 3.57Å; S526-L529 PolarHBondContact O-N 2.88Å; A527-L529 VanDerWaalsContact C-N 3.27Å; A527-L529 PolarHBondContact O-N 3.43Å; L529-I534 HydrophobicContact CD2-CD1 4.26Å
530	S	93.5	Very high	87.8	Confident	22 Å²	22	53.1 Å²	53.1	15%	0.154	29%	0.285	C	S	.	.	S	Bend	trans	-72.5	147	173.4	65.3	0	0	0	0	111	G352 S526 A527 I528 V533 I534	G352-S530 WeakPolarHBondContact O-CB 3.33Å; S526-S530 PolarHBondContact O-N 2.79Å; A527-S530 WeakPolarHBondContact O-CB 3.39Å; A527-S530 PolarHBondContact O-N 2.75Å; A527-S530 PolarHBondContact O-OG 3.09Å; I528-S530 VanDerWaalsContact C-N 3.31Å; S530-V533 PolarHBondContact O-N 2.92Å; S530-V533 VanDerWaalsContact OG-CG2 3.31Å; S530-V533 WeakPolarHBondContact OG-CG2 3.36Å; S530-I534 PolarHBondContact O-N 2.91Å
531	P	94	Very high	87.8	Confident	22 Å²	22	48.6 Å²	48.6	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-52.6	-44.6	-178.3	-25.4	32.5	0	0	0	114.9	Y322 G352 V362 V533 I534 E535	Y322-P531 WeakPolarHBondContact OH-CG 3.34Å; G352-P531 VanDerWaalsContact O-CD 3.28Å; G352-P531 WeakPolarHBondContact O-CD 3.46Å; V362-P531 HydrophobicContact CG1-CG 3.67Å; V362-P531 HydrophobicContact CG2-CG 4.42Å; P531-V533 VanDerWaalsContact C-N 3.26Å; P531-V533 PolarHBondContact O-N 3.06Å; P531-I534 PolarHBondContact O-N 2.93Å; P531-E535 WeakPolarHBondContact O-CB 3.38Å; P531-E535 PolarHBondContact O-N 3.38Å
532	P	91.5	Very high	87.7	Confident	76 Å²	76	47.7 Å²	47.7	49%	0.494	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-31.1	179.3	-22.8	34.8	0	0	0	113.5	R536	P532-R536 WeakPolarHBondContact O-CB 3.37Å; P532-R536 PolarHBondContact O-N 2.96Å; P532-R536 VanDerWaalsContact O-N 3.13Å
533	V	91.2	Very high	87.3	Confident	54 Å²	54	51.5 Å²	51.5	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-75.8	-43.6	177.5	176.9	0	0	0	0	110.7	A527 I528 S530 P531 R536 I537	A527-V533 WeakPolarHBondContact O-CG2 3.42Å; I528-V533 WeakPolarHBondContact O-CB 3.49Å; I528-V533 WeakPolarHBondContact O-CG1 3.48Å; S530-V533 PolarHBondContact O-N 2.92Å; S530-V533 VanDerWaalsContact OG-CG2 3.31Å; S530-V533 WeakPolarHBondContact OG-CG2 3.36Å; P531-V533 VanDerWaalsContact C-N 3.26Å; P531-V533 PolarHBondContact O-N 3.06Å; V533-R536 WeakPolarHBondContact O-CB 3.19Å; V533-R536 PolarHBondContact O-N 3.08Å; V533-I537 HydrophobicContact CG1-CD1 4.06Å; V533-I537 WeakPolarHBondContact O-CG1 3.18Å; V533-I537 PolarHBondContact O-N 2.92Å
534	I	92.2	Very high	86	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-48.6	174.6	-66.4	-57.7	0	0	0	110.9	D425 V428 T429 L529 S530 P531 R536 I537 R538	D425-I534 HydrophobicContact CB-CG2 4.05Å; D425-I534 WeakPolarHBondContact O-CG2 3.5Å; V428-I534 HydrophobicContact CB-CG2 4.36Å; V428-I534 HydrophobicContact CG1-CG2 4.16Å; T429-I534 WeakPolarHBondContact OG1-CG2 3.18Å; L529-I534 HydrophobicContact CD2-CD1 4.26Å; S530-I534 PolarHBondContact O-N 2.91Å; P531-I534 PolarHBondContact O-N 2.93Å; I534-R536 VanDerWaalsContact C-N 3.25Å; I534-R536 PolarHBondContact O-N 3.04Å; I534-I537 HydrophobicContact CD1-CD1 4.5Å; I534-I537 WeakPolarHBondContact O-CA 3.45Å; I534-I537 WeakPolarHBondContact O-CB 3.44Å; I534-I537 PolarHBondContact O-N 3.03Å; I534-R538 PolarHBondContact O-N 3.13Å
535	E	91.3	Very high	84.3	Confident	70 Å²	70	52.2 Å²	52.2	33%	0.327	27%	0.266	S	S	.	.	H	α-helix	trans	-57.9	-41.7	177.4	-172	-168	171.9	0	0	110.9	P531 R538 K539	P531-E535 WeakPolarHBondContact O-CB 3.38Å; P531-E535 PolarHBondContact O-N 3.38Å; E535-R538 PolarHBondContact O-N 2.96Å; E535-K539 HydrophobicContact CG-CD 4.32Å; E535-K539 WeakPolarHBondContact O-CB 3.36Å; E535-K539 VanDerWaalsContact O-CG 3.32Å; E535-K539 WeakPolarHBondContact O-CG 3.49Å; E535-K539 PolarHBondContact O-N 2.61Å; E535-K539 WeakPolarHBondContact OE1-CE 3.46Å; E535-K539 IonicContact OE1-NZ 3.59Å; E535-K539 PolarHBondContact OE1-NZ 3.15Å
536	R	89.9	Confident	81.9	Confident	178 Å²	178	64.7 Å²	64.7	67%	0.672	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-41.6	175	-174.8	176.7	179.8	176.6	1.1	111.8	P532 V533 I534 K539 Q540	P532-R536 WeakPolarHBondContact O-CB 3.37Å; P532-R536 PolarHBondContact O-N 2.96Å; P532-R536 VanDerWaalsContact O-N 3.13Å; V533-R536 WeakPolarHBondContact O-CB 3.19Å; V533-R536 PolarHBondContact O-N 3.08Å; I534-R536 VanDerWaalsContact C-N 3.25Å; I534-R536 PolarHBondContact O-N 3.04Å; R536-K539 PolarHBondContact O-N 3.04Å; R536-Q540 WeakPolarHBondContact O-CB 3.29Å; R536-Q540 WeakPolarHBondContact O-CG 3.32Å; R536-Q540 PolarHBondContact O-N 2.99Å
537	I	87.5	Confident	81.6	Confident	32 Å²	32	65.9 Å²	65.9	16%	0.164	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-50	176.2	-67.4	165.6	0	0	0	109.9	L49 V428 V533 I534 K539 Q540 L541	L49-I537 HydrophobicContact CD1-CG2 4.13Å; V428-I537 HydrophobicContact CG1-CB 4.05Å; V428-I537 HydrophobicContact CG1-CG2 3.61Å; V533-I537 HydrophobicContact CG1-CD1 4.06Å; V533-I537 WeakPolarHBondContact O-CG1 3.18Å; V533-I537 PolarHBondContact O-N 2.92Å; I534-I537 HydrophobicContact CD1-CD1 4.5Å; I534-I537 WeakPolarHBondContact O-CA 3.45Å; I534-I537 WeakPolarHBondContact O-CB 3.44Å; I534-I537 PolarHBondContact O-N 3.03Å; I537-K539 PolarHBondContact O-N 3.22Å; I537-Q540 PolarHBondContact O-N 3.23Å; I537-Q540 VanDerWaalsContact O-N 3.1Å; I537-L541 HydrophobicContact CG2-CD1 3.8Å; I537-L541 HydrophobicContact CG2-CG 4.26Å; I537-L541 WeakPolarHBondContact O-CG 3.45Å; I537-L541 PolarHBondContact O-N 3.22Å
538	R	88	Confident	81.3	Confident	25 Å²	25	66.4 Å²	66.4	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-52.3	-55.2	174.9	178.5	-177.5	55.2	110	-19.3	110.7	E421 M424 D425 V428 I534 E535 Q540 L541 F542	E421-R538 IonicContact OE2-CZ 3.92Å; E421-R538 IonicContact OE2-NH1 2.64Å; E421-R538 PolarHBondContact OE2-NH1 3.07Å; E421-R538 IonicContact OE2-NH2 3.88Å; E421-R538 PolarHBondContact OE2-NH2 2.95Å; M424-R538 VanDerWaalsContact CB-CD 3.43Å; M424-R538 HydrophobicContact CB-CG 4.3Å; D425-R538 WeakPolarHBondContact OD1-CD 3.18Å; D425-R538 IonicContact OD1-CZ 2.79Å; D425-R538 IonicContact OD1-NE 2.76Å; D425-R538 PolarHBondContact OD1-NE 3Å; D425-R538 IonicContact OD1-NH2 2.83Å; D425-R538 IonicContact OD2-CZ 2.83Å; D425-R538 IonicContact OD2-NE 3.16Å; D425-R538 IonicContact OD2-NH2 3.72Å; D425-R538 PolarHBondContact OD2-NH2 2.95Å; V428-R538 HydrophobicContact CG2-CB 4.03Å; V428-R538 HydrophobicContact CG2-CG 4.4Å; I534-R538 PolarHBondContact O-N 3.13Å; E535-R538 PolarHBondContact O-N 2.96Å; R538-Q540 PolarHBondContact O-N 3.24Å; R538-L541 PolarHBondContact O-N 3.16Å; R538-L541 VanDerWaalsContact O-N 3.14Å; R538-F542 HydrophobicContact CG-CD2 3.92Å; R538-F542 HydrophobicContact CG-CE2 4.35Å; R538-F542 VanDerWaalsContact O-CD2 3.24Å; R538-F542 WeakPolarHBondContact O-CD2 3.42Å; R538-F542 PolarHBondContact O-N 2.85Å
539	K	86.6	Confident	80.9	Confident	107 Å²	107	68.2 Å²	68.2	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-56	-37.8	179.7	-75.9	177.7	-178.2	173.6	0	111.9	E535 R536 I537 K543	E535-K539 HydrophobicContact CG-CD 4.32Å; E535-K539 WeakPolarHBondContact O-CB 3.36Å; E535-K539 VanDerWaalsContact O-CG 3.32Å; E535-K539 WeakPolarHBondContact O-CG 3.49Å; E535-K539 PolarHBondContact O-N 2.61Å; E535-K539 WeakPolarHBondContact OE1-CE 3.46Å; E535-K539 IonicContact OE1-NZ 3.59Å; E535-K539 PolarHBondContact OE1-NZ 3.15Å; R536-K539 PolarHBondContact O-N 3.04Å; I537-K539 PolarHBondContact O-N 3.22Å; K539-K543 WeakPolarHBondContact O-CG 3.43Å; K539-K543 PolarHBondContact O-N 3.43Å
540	Q	84.1	Confident	80.2	Confident	78 Å²	78	72.2 Å²	72.2	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-72.4	-40	178.3	-67.8	-73.5	-16.8	0	0	113.4	R536 I537 R538	R536-Q540 WeakPolarHBondContact O-CB 3.29Å; R536-Q540 WeakPolarHBondContact O-CG 3.32Å; R536-Q540 PolarHBondContact O-N 2.99Å; I537-Q540 PolarHBondContact O-N 3.23Å; I537-Q540 VanDerWaalsContact O-N 3.1Å; R538-Q540 PolarHBondContact O-N 3.24Å
541	L	80.8	Confident	79.4	Confident	14 Å²	14	75.3 Å²	75.3	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-41.6	177.9	-73.9	172	0	0	0	111.5	L49 R53 V428 I537 R538	L49-L541 HydrophobicContact CB-CD2 4.11Å; L49-L541 HydrophobicContact CD2-CD1 4.14Å; L49-L541 HydrophobicContact CD2-CD2 4.27Å; R53-L541 HydrophobicContact CB-CD2 4.49Å; V428-L541 HydrophobicContact CG2-CD1 4.19Å; I537-L541 HydrophobicContact CG2-CD1 3.8Å; I537-L541 HydrophobicContact CG2-CG 4.26Å; I537-L541 WeakPolarHBondContact O-CG 3.45Å; I537-L541 PolarHBondContact O-N 3.22Å; R538-L541 PolarHBondContact O-N 3.16Å; R538-L541 VanDerWaalsContact O-N 3.14Å
542	F	78.1	Confident	78.4	Confident	24 Å²	24	78.9 Å²	78.9	11%	0.105	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	17.1	-172.7	-58.2	-74.5	0	0	0	114.1	L56 M424 V428 L459 A463 R538 T544 F545	L56-F542 HydrophobicContact CD1-CE1 4.06Å; M424-F542 HydrophobicContact CE-CD1 4.12Å; M424-F542 HydrophobicContact CE-CD2 3.56Å; M424-F542 HydrophobicContact CE-CE1 3.84Å; M424-F542 HydrophobicContact CE-CE2 3.24Å; M424-F542 HydrophobicContact CE-CG 4.02Å; M424-F542 HydrophobicContact CE-CZ 3.39Å; V428-F542 HydrophobicContact CG2-CE2 4.26Å; L459-F542 HydrophobicContact CD1-CE2 4.03Å; L459-F542 HydrophobicContact CD1-CZ 3.77Å; L459-F542 HydrophobicContact CG-CZ 4.14Å; A463-F542 HydrophobicContact CB-CD1 4.24Å; A463-F542 HydrophobicContact CB-CE1 3.42Å; A463-F542 VanDerWaalsContact CB-CE1 3.42Å; A463-F542 HydrophobicContact CB-CZ 3.9Å; R538-F542 HydrophobicContact CG-CD2 3.92Å; R538-F542 HydrophobicContact CG-CE2 4.35Å; R538-F542 VanDerWaalsContact O-CD2 3.24Å; R538-F542 WeakPolarHBondContact O-CD2 3.42Å; R538-F542 PolarHBondContact O-N 2.85Å; F542-T544 PolarHBondContact O-N 3.33Å; F542-T544 VanDerWaalsContact O-N 3.09Å; F542-F545 HydrophobicContact CB-CD2 4.18Å; F542-F545 AromaticContact CD1-CD2 3.65Å; F542-F545 HydrophobicContact CD1-CD2 3.65Å; F542-F545 AromaticContact CD1-CE2 3.77Å; F542-F545 HydrophobicContact CD1-CE2 3.77Å; F542-F545 HydrophobicContact CD1-CG 4.47Å; F542-F545 HydrophobicContact CE1-CE2 4.32Å; F542-F545 HydrophobicContact CG-CD2 4.42Å; F542-F545 PolarHBondContact O-N 3.14Å
543	K	72.2	Confident	77.5	Confident	111 Å²	111	79.1 Å²	79.1	48%	0.483	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32	177.7	-74	-168.5	166.3	173.2	0	114.1	K539	K539-K543 WeakPolarHBondContact O-CG 3.43Å; K539-K543 PolarHBondContact O-N 3.43Å
544	T	54.4	Low	76.5	Confident	72 Å²	72	81 Å²	81	44%	0.442	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.8	-176.5	31.5	0	0	0	0	114	N57 F542	N57-T544 PolarHBondContact OD1-OG1 3.23Å; F542-T544 PolarHBondContact O-N 3.33Å; F542-T544 VanDerWaalsContact O-N 3.09Å
545	F	49.8	Very low	75.1	Confident	75 Å²	75	87.7 Å²	87.7	33%	0.329	38%	0.377	S	S	.	.			trans	-90.8	-11	178.6	-78.8	-89.1	0	0	0	114.1	L56 T60 F542	L56-F545 HydrophobicContact CB-CE2 4.18Å; L56-F545 HydrophobicContact CB-CZ 4.17Å; L56-F545 HydrophobicContact CD2-CZ 4.36Å; T60-F545 HydrophobicContact CG2-CE1 4.07Å; F542-F545 HydrophobicContact CB-CD2 4.18Å; F542-F545 AromaticContact CD1-CD2 3.65Å; F542-F545 HydrophobicContact CD1-CD2 3.65Å; F542-F545 AromaticContact CD1-CE2 3.77Å; F542-F545 HydrophobicContact CD1-CE2 3.77Å; F542-F545 HydrophobicContact CD1-CG 4.47Å; F542-F545 HydrophobicContact CE1-CE2 4.32Å; F542-F545 HydrophobicContact CG-CD2 4.42Å; F542-F545 PolarHBondContact O-N 3.14Å
546	R	39.1	Very low	73.7	Confident	266 Å²	266	89.3 Å²	89.3	100%	1.004	38%	0.381	S	S	*	.			trans	-91.2	0	166	-72.4	-172.4	180	-165.7	-1.5	108.8

Retrieved 546 of 546 residues in 542.5 ms (Link to these results)

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