A0A087XIG4_POEFO Loading...

Collagenase 3

AlphaFold DB , UniProt , Accession A0A087XIG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 485 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	37.3	Very low	34.7	Very low	247 Å²	247	136.5 Å²	136.5	100%	1.217	79%	0.791	S	S	*	*				0	147.5	0	-84.6	162.2	154	0	0	108.9
2	M	28.5	Very low	34.3	Very low	182 Å²	182	132.7 Å²	132.7	90%	0.897	78%	0.778	S	S	*	*			trans	-79.5	176.6	162.5	-96.8	-178.5	173.3	0	0	110.1
3	P	51.8	Low	34.4	Very low	102 Å²	102	132.1 Å²	132.1	66%	0.662	78%	0.777	S	S	*	*			cis	-143.5	-163.4	-28.8	36.8	-16.2	0	0	0	113.4
4	V	34.5	Very low	34.4	Very low	140 Å²	140	133.1 Å²	133.1	85%	0.848	79%	0.785	S	S	*	*			trans	72	152	142.2	151.5	0	0	0	0	119.4
5	A	35	Very low	34.4	Very low	83 Å²	83	134.7 Å²	134.7	69%	0.686	79%	0.785	S	S	*	*			cis	-166.7	179.3	-35.4	0	0	0	0	0	110.9
6	C	31	Very low	34.5	Very low	115 Å²	115	137.2 Å²	137.2	78%	0.777	78%	0.784	S	S	*	*			trans	-44.8	162.3	-178.8	-45.7	0	0	0	0	120
7	L	33.3	Very low	34.5	Very low	157 Å²	157	136.2 Å²	136.2	82%	0.822	78%	0.781	S	S	*	*			trans	-166.7	119.3	130.9	-92.7	160.3	0	0	0	106
8	D	33.6	Very low	34.4	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	78%	0.778	S	S	*	*				75.9	139.5	83.8	-87.7	44.9	0	0	0	113.9
9	N	31.6	Very low	34.2	Very low	126 Å²	126	137.4 Å²	137.4	67%	0.674	78%	0.78	S	S	*	*			cis	-146.9	-167.1	-2.2	-146	-97.7	0	0	0	105.9
10	S	31.2	Very low	34.4	Very low	97 Å²	97	138 Å²	138	68%	0.678	78%	0.78	S	S	*	*			cis	-159.5	166.9	10.1	57.8	0	0	0	0	115.3
11	V	33.8	Very low	34.2	Very low	123 Å²	123	139.8 Å²	139.8	75%	0.745	79%	0.787	S	S	*	*			trans	-4.9	131.2	145.2	-170.9	0	0	0	0	116.5
12	S	29.8	Very low	34.1	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	77%	0.766	S	S	*	*			cis	110.7	123.2	20.5	-171.7	0	0	0	0	114.7
13	T	35.6	Very low	34.9	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	76%	0.759	S	S	*	*			trans	53.2	122.8	149.9	51	0	0	0	0	122.7
14	T	34.3	Very low	34.3	Very low	146 Å²	146	132.8 Å²	132.8	90%	0.896	76%	0.762	S	S	*	*				-147	142.1	125.8	35.5	0	0	0	0	111.6
15	M	34.3	Very low	34.3	Very low	158 Å²	158	134 Å²	134	78%	0.778	76%	0.763	S	S	*	*			trans	-114.8	151.6	162.9	-82.1	-177.4	63.7	0	0	108.6
16	F	36.1	Very low	34.6	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.763	77%	0.765	S	S	*	*				169	154.8	111.4	-108.7	-79.1	0	0	0	113.9
17	T	35.5	Very low	34.8	Very low	121 Å²	121	140.1 Å²	140.1	74%	0.742	77%	0.771	S	S	*	*			trans	61.8	154.3	155.8	50.5	0	0	0	0	120.2
18	L	31.7	Very low	35.2	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	77%	0.771	S	S	*	*			cis	-176.2	133.4	-27.5	-176	73.8	0	0	0	107.9
19	L	31.7	Very low	35.3	Very low	155 Å²	155	142.4 Å²	142.4	81%	0.812	78%	0.78	S	S	*	*				176	160.4	128.9	-116.8	83.3	0	0	0	112.9
20	L	36.7	Very low	35.6	Very low	149 Å²	149	145 Å²	145	78%	0.78	79%	0.785	S	S	*	*			trans	-93.2	157.6	-176.8	-53.4	103.5	0	0	0	113
21	L	31.7	Very low	36.4	Very low	175 Å²	175	145.1 Å²	145.1	92%	0.916	79%	0.792	S	S	*	*				-172.8	154.9	112	-97.6	162.4	0	0	0	112.9
22	L	34.8	Very low	36.7	Very low	150 Å²	150	146.8 Å²	146.8	79%	0.785	80%	0.796	S	S	*	*			trans	-102.4	158.1	176.9	-97.4	165.9	0	0	0	109
23	P	44	Very low	37.5	Very low	114 Å²	114	147.9 Å²	147.9	74%	0.74	80%	0.801	S	S	*	*				-152.2	159	59	41.2	-20.6	0	0	0	120.1
24	V	40.4	Very low	37.8	Very low	121 Å²	121	149.5 Å²	149.5	73%	0.733	80%	0.804	S	S	*	*			trans	34.1	117.1	136.5	-175.2	0	0	0	0	119.8
25	L	33.7	Very low	38	Very low	164 Å²	164	147 Å²	147	86%	0.859	79%	0.79	S	S	*	*				-156.7	124.9	120.5	-112.2	174.8	0	0	0	110.9
26	A	41.1	Very low	38.7	Very low	90 Å²	90	145.3 Å²	145.3	74%	0.744	79%	0.789	S	S	*	*			trans	-108	135.9	174.1	0	0	0	0	0	110.3
27	R	36.5	Very low	38.9	Very low	237 Å²	237	138 Å²	138	89%	0.894	76%	0.763	S	S	*	*			trans	-137.6	145.7	162.8	-77.9	-164.8	171.9	-162.5	-2.2	110.2
28	Y	40.1	Very low	39.5	Very low	210 Å²	210	137.7 Å²	137.7	82%	0.824	76%	0.756	S	S	*	*			trans	-71.9	133.2	-176.1	-69.8	-104.9	0	0	0	111.3	F30	Y28-F30 HydrophobicContact CD1-CE2 4.25Å; Y28-F30 HydrophobicContact CG-CE2 4.38Å
29	S	36.4	Very low	39.9	Very low	125 Å²	125	139.3 Å²	139.3	87%	0.874	76%	0.757	S	S	*	*			trans	-100	97.6	156.9	-66.6	0	0	0	0	108.4	A31	S29-A31 PolarHBondContact O-N 3.4Å
30	F	38.8	Very low	40.6	Very low	180 Å²	180	138 Å²	138	79%	0.789	75%	0.747	S	S	*	*			trans	-70.3	113.1	163.5	-81.7	-90.4	0	0	0	108.1	Y28 L32	Y28-F30 HydrophobicContact CD1-CE2 4.25Å; Y28-F30 HydrophobicContact CG-CE2 4.38Å; F30-L32 PolarHBondContact O-N 2.71Å; F30-L32 VanDerWaalsContact O-N 3.17Å
31	A	46.3	Very low	41.1	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	74%	0.737	S	S	*	*			trans	-69.8	107.5	165.1	0	0	0	0	0	108	S29	S29-A31 PolarHBondContact O-N 3.4Å
32	L	41.8	Very low	42.2	Very low	159 Å²	159	131.2 Å²	131.2	83%	0.832	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-65.5	137.1	168.8	-76.5	165	0	0	0	109	F30	F30-L32 PolarHBondContact O-N 2.71Å; F30-L32 VanDerWaalsContact O-N 3.17Å
33	P	47	Very low	43.3	Very low	113 Å²	113	128.3 Å²	128.3	73%	0.734	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-63.4	142.7	169.9	28.1	-33.5	0	0	0	109.8
34	L	40.2	Very low	44.1	Very low	159 Å²	159	127.1 Å²	127.1	83%	0.832	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-61.8	134.1	173.8	-81.4	159.5	0	0	0	110.1	T36	L34-T36 PolarHBondContact O-N 3.13Å
35	P	39.5	Very low	45.1	Very low	94 Å²	94	127.5 Å²	127.5	61%	0.61	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-68.9	120.2	175.9	28.3	-33.5	0	0	0	110.1	G37 I38	P35-G37 VanDerWaalsContact C-N 3.3Å; P35-G37 PolarHBondContact O-N 3.1Å; P35-I38 HydrophobicContact CG-CD1 4.42Å
36	T	48.1	Very low	46.4	Very low	122 Å²	122	123.8 Å²	123.8	75%	0.748	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-26.7	-177.8	43.8	0	0	0	0	113.7	L34 I38 K39	L34-T36 PolarHBondContact O-N 3.13Å; T36-I38 PolarHBondContact O-N 3.44Å; T36-K39 PolarHBondContact O-N 2.98Å
37	G	41.9	Very low	47.6	Very low	22 Å²	22	123 Å²	123	23%	0.227	65%	0.654	C	S	.	*	H	α-helix	trans	-65.3	-6.1	-172.6	0	0	0	0	0	116.8	P35 K39 E40 N41	P35-G37 VanDerWaalsContact C-N 3.3Å; P35-G37 PolarHBondContact O-N 3.1Å; G37-K39 VanDerWaalsContact C-N 3.27Å; G37-K39 PolarHBondContact O-N 3.26Å; G37-E40 PolarHBondContact O-N 3.31Å; G37-N41 WeakPolarHBondContact O-CB 3.41Å; G37-N41 VanDerWaalsContact O-CG 3.23Å; G37-N41 PolarHBondContact O-N 2.73Å
38	I	47.1	Very low	49.4	Very low	114 Å²	114	121.2 Å²	121.2	59%	0.585	65%	0.647	S	S	*	*	H	α-helix	trans	-63.3	-34.8	175.9	-61.8	178.2	0	0	0	111.1	P35 T36 V42	P35-I38 HydrophobicContact CG-CD1 4.42Å; T36-I38 PolarHBondContact O-N 3.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.44Å; I38-V42 PolarHBondContact O-N 2.9Å
39	K	41.1	Very low	51.2	Low	174 Å²	174	116 Å²	116	76%	0.757	63%	0.632	S	S	*	*	H	α-helix	trans	-74.7	-41.7	178	-75	-168.2	173.1	-170.9	0	112.8	T36 G37 V43	T36-K39 PolarHBondContact O-N 2.98Å; G37-K39 VanDerWaalsContact C-N 3.27Å; G37-K39 PolarHBondContact O-N 3.26Å; K39-V43 WeakPolarHBondContact O-CG2 3.39Å; K39-V43 PolarHBondContact O-N 3.01Å; K39-V43 VanDerWaalsContact O-N 3.11Å
40	E	44.7	Very low	53.4	Low	128 Å²	128	114.4 Å²	114.4	60%	0.598	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-41.2	179.8	-68.5	167.9	142.1	0	0	111.4	G37 V43 T44	G37-E40 PolarHBondContact O-N 3.31Å; E40-V43 PolarHBondContact O-N 3.14Å; E40-T44 WeakPolarHBondContact O-CG2 3.48Å; E40-T44 PolarHBondContact O-N 2.86Å; E40-T44 PolarHBondContact O-OG1 3.48Å
41	N	48.7	Very low	55.7	Low	109 Å²	109	107.2 Å²	107.2	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-65.5	-42.3	177.9	-70.1	-5	0	0	0	112.3	G37 T44 E45	G37-N41 WeakPolarHBondContact O-CB 3.41Å; G37-N41 VanDerWaalsContact O-CG 3.23Å; G37-N41 PolarHBondContact O-N 2.73Å; N41-T44 PolarHBondContact O-N 2.87Å; N41-T44 PolarHBondContact O-OG1 2.88Å; N41-E45 WeakPolarHBondContact O-CB 3.43Å; N41-E45 PolarHBondContact O-N 3.45Å
42	V	53.8	Low	57.7	Low	71 Å²	71	107.1 Å²	107.1	43%	0.43	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-34.7	178.1	172.2	0	0	0	0	111.9	I38 N46	I38-V42 WeakPolarHBondContact O-CG2 3.44Å; I38-V42 PolarHBondContact O-N 2.9Å; V42-N46 WeakPolarHBondContact O-CB 3.32Å; V42-N46 PolarHBondContact O-N 2.71Å; V42-N46 VanDerWaalsContact O-N 3.08Å; V42-N46 PolarHBondContact O-ND2 2.98Å
43	V	57.4	Low	59.9	Low	90 Å²	90	105.1 Å²	105.1	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-69	-45.3	175.2	170.8	0	0	0	0	111.2	K39 E40 N46 V47	K39-V43 WeakPolarHBondContact O-CG2 3.39Å; K39-V43 PolarHBondContact O-N 3.01Å; K39-V43 VanDerWaalsContact O-N 3.11Å; E40-V43 PolarHBondContact O-N 3.14Å; V43-N46 PolarHBondContact O-N 2.82Å; V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 VanDerWaalsContact O-CG2 3.32Å; V43-V47 WeakPolarHBondContact O-CG2 3.23Å; V43-V47 PolarHBondContact O-N 2.63Å
44	T	61.8	Low	62	Low	88 Å²	88	102.7 Å²	102.7	54%	0.54	54%	0.539	S	S	.	.	H	α-helix	trans	-70.8	-32	179.1	51.2	0	0	0	0	113	E40 N41 R48	E40-T44 WeakPolarHBondContact O-CG2 3.48Å; E40-T44 PolarHBondContact O-N 2.86Å; E40-T44 PolarHBondContact O-OG1 3.48Å; N41-T44 PolarHBondContact O-N 2.87Å; N41-T44 PolarHBondContact O-OG1 2.88Å; T44-R48 VanDerWaalsContact O-CB 3.27Å; T44-R48 WeakPolarHBondContact O-CB 3.28Å; T44-R48 PolarHBondContact O-N 3.44Å; T44-R48 VanDerWaalsContact O-N 3.15Å
45	E	60.4	Low	64.5	Low	130 Å²	130	95.1 Å²	95.1	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-67.4	-42.4	172.4	-171.9	164.3	-140.6	0	0	111.7	N41 I49	N41-E45 WeakPolarHBondContact O-CB 3.43Å; N41-E45 PolarHBondContact O-N 3.45Å; E45-I49 HydrophobicContact CG-CD1 4.4Å; E45-I49 WeakPolarHBondContact O-CD1 3.45Å; E45-I49 VanDerWaalsContact O-CG1 3.32Å; E45-I49 WeakPolarHBondContact O-CG1 3.38Å; E45-I49 PolarHBondContact O-N 2.88Å
46	N	62	Low	66.9	Low	85 Å²	85	93.6 Å²	93.6	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-51	174.8	-72.8	-8.5	0	0	0	112.4	V42 V43 R48 I49 D50	V42-N46 WeakPolarHBondContact O-CB 3.32Å; V42-N46 PolarHBondContact O-N 2.71Å; V42-N46 VanDerWaalsContact O-N 3.08Å; V42-N46 PolarHBondContact O-ND2 2.98Å; V43-N46 PolarHBondContact O-N 2.82Å; N46-R48 PolarHBondContact O-N 3.05Å; N46-I49 WeakPolarHBondContact O-CA 3.4Å; N46-I49 WeakPolarHBondContact O-CB 3.43Å; N46-I49 PolarHBondContact O-N 2.88Å; N46-D50 PolarHBondContact O-N 3.02Å
47	V	66.9	Low	69	Low	75 Å²	75	92.9 Å²	92.9	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-54.8	-41.9	178.7	168.3	0	0	0	0	110.9	V43 I49 D50 D51	V43-V47 HydrophobicContact CG1-CG2 4.47Å; V43-V47 VanDerWaalsContact O-CG2 3.32Å; V43-V47 WeakPolarHBondContact O-CG2 3.23Å; V43-V47 PolarHBondContact O-N 2.63Å; V47-I49 VanDerWaalsContact C-N 3.31Å; V47-I49 PolarHBondContact O-N 2.62Å; V47-D50 PolarHBondContact O-N 3.22Å; V47-D51 PolarHBondContact O-N 3.38Å
48	R	74.2	Confident	71.5	Confident	198 Å²	198	92.3 Å²	92.3	75%	0.747	46%	0.462	S	S	*	.	H	α-helix	trans	-68.5	-25.4	178	-168.4	176.4	-172.7	-176.6	5.1	114	T44 N46 L52	T44-R48 VanDerWaalsContact O-CB 3.27Å; T44-R48 WeakPolarHBondContact O-CB 3.28Å; T44-R48 PolarHBondContact O-N 3.44Å; T44-R48 VanDerWaalsContact O-N 3.15Å; N46-R48 PolarHBondContact O-N 3.05Å; R48-L52 WeakPolarHBondContact O-CB 3.4Å; R48-L52 PolarHBondContact O-N 3.03Å
49	I	77	Confident	73.7	Confident	100 Å²	100	86.9 Å²	86.9	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-74.5	-42.4	171.8	-70.7	163	0	0	0	109.9	E45 N46 V47 L52 L53	E45-I49 HydrophobicContact CG-CD1 4.4Å; E45-I49 WeakPolarHBondContact O-CD1 3.45Å; E45-I49 VanDerWaalsContact O-CG1 3.32Å; E45-I49 WeakPolarHBondContact O-CG1 3.38Å; E45-I49 PolarHBondContact O-N 2.88Å; N46-I49 WeakPolarHBondContact O-CA 3.4Å; N46-I49 WeakPolarHBondContact O-CB 3.43Å; N46-I49 PolarHBondContact O-N 2.88Å; V47-I49 VanDerWaalsContact C-N 3.31Å; V47-I49 PolarHBondContact O-N 2.62Å; I49-L52 PolarHBondContact O-N 3.08Å; I49-L53 PolarHBondContact O-N 3.48Å
50	D	84	Confident	76.1	Confident	93 Å²	93	83.9 Å²	83.9	50%	0.497	42%	0.418	S	S	.	.	H	α-helix	trans	-64.9	-44.4	178	-62.6	-32.2	0	0	0	111.3	N46 V47 L52 L53 I54	N46-D50 PolarHBondContact O-N 3.02Å; V47-D50 PolarHBondContact O-N 3.22Å; D50-L52 VanDerWaalsContact C-N 3.33Å; D50-L52 PolarHBondContact O-N 3.44Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 PolarHBondContact O-N 3.43Å; D50-L53 VanDerWaalsContact O-N 3.16Å; D50-I54 WeakPolarHBondContact O-CG1 3.29Å; D50-I54 PolarHBondContact O-N 2.96Å
51	D	86.8	Confident	78.3	Confident	29 Å²	29	80.7 Å²	80.7	16%	0.155	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-39	174.5	-77	-40.4	0	0	0	112.8	V47 A55 L103 K107	V47-D51 PolarHBondContact O-N 3.38Å; D51-A55 WeakPolarHBondContact O-CB 3.49Å; D51-A55 PolarHBondContact O-N 2.88Å; D51-L103 HydrophobicContact CB-CD1 3.96Å; D51-L103 HydrophobicContact CB-CD2 3.96Å; D51-K107 WeakPolarHBondContact OD1-CE 3.31Å; D51-K107 IonicContact OD1-NZ 2.74Å; D51-K107 PolarHBondContact OD1-NZ 2.76Å
52	L	87.7	Confident	80.4	Confident	96 Å²	96	76.2 Å²	76.2	50%	0.503	38%	0.378	S	S	.	.	H	α-helix	trans	-66.5	-38.2	175.3	-172.2	73.3	0	0	0	111.5	R48 I49 D50 E56 F79 L98	R48-L52 WeakPolarHBondContact O-CB 3.4Å; R48-L52 PolarHBondContact O-N 3.03Å; I49-L52 PolarHBondContact O-N 3.08Å; D50-L52 VanDerWaalsContact C-N 3.33Å; D50-L52 PolarHBondContact O-N 3.44Å; L52-E56 WeakPolarHBondContact O-CB 3.44Å; L52-E56 PolarHBondContact O-N 2.83Å; L52-F79 HydrophobicContact CD1-CZ 4.17Å; L52-L98 HydrophobicContact CD1-CD1 4.04Å
53	L	87.8	Confident	82.3	Confident	117 Å²	117	72.9 Å²	72.9	61%	0.613	36%	0.358	S	S	*	.	H	α-helix	trans	-66.7	-43.5	177.2	-169.1	80.4	0	0	0	111.6	I49 D50 E56 K57	I49-L53 PolarHBondContact O-N 3.48Å; D50-L53 WeakPolarHBondContact O-CB 3.3Å; D50-L53 PolarHBondContact O-N 3.43Å; D50-L53 VanDerWaalsContact O-N 3.16Å; L53-E56 PolarHBondContact O-N 2.84Å; L53-K57 PolarHBondContact O-N 2.82Å
54	I	90.1	Very high	83.8	Confident	63 Å²	63	70.9 Å²	70.9	32%	0.323	36%	0.355	S	S	.	.	H	α-helix	trans	-58.6	-51.8	174.6	-69.7	165.7	0	0	0	109.6	D50 E56 K57 Y58 K107	D50-I54 WeakPolarHBondContact O-CG1 3.29Å; D50-I54 PolarHBondContact O-N 2.96Å; I54-E56 PolarHBondContact O-N 2.86Å; I54-K57 PolarHBondContact O-N 3.09Å; I54-Y58 WeakPolarHBondContact O-CB 3.42Å; I54-Y58 PolarHBondContact O-N 2.9Å; I54-K107 HydrophobicContact CG2-CG 4.34Å
55	A	93	Very high	85.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-38.1	179.4	0	0	0	0	0	112.9	D51 Y58 L59 F79 L98 M106	D51-A55 WeakPolarHBondContact O-CB 3.49Å; D51-A55 PolarHBondContact O-N 2.88Å; A55-Y58 PolarHBondContact O-N 3.02Å; A55-L59 WeakPolarHBondContact O-CB 3.49Å; A55-L59 VanDerWaalsContact O-CG 3.24Å; A55-L59 WeakPolarHBondContact O-CG 3.35Å; A55-L59 PolarHBondContact O-N 2.84Å; A55-F79 HydrophobicContact CB-CZ 3.9Å; A55-L98 HydrophobicContact CB-CD1 3.57Å; A55-L98 HydrophobicContact CB-CD2 3.58Å; A55-L98 HydrophobicContact CB-CG 4.23Å; A55-M106 HydrophobicContact CB-CE 4.49Å; A55-M106 HydrophobicContact CB-SD 3.67Å
56	E	91.3	Very high	86.2	Confident	61 Å²	61	64.3 Å²	64.3	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-41.2	175.3	-174.3	171.3	-144.7	0	0	112.2	L52 L53 I54 R60 L65 F79	L52-E56 WeakPolarHBondContact O-CB 3.44Å; L52-E56 PolarHBondContact O-N 2.83Å; L53-E56 PolarHBondContact O-N 2.84Å; I54-E56 PolarHBondContact O-N 2.86Å; E56-R60 VanDerWaalsContact CD-CZ 3.49Å; E56-R60 HydrophobicContact CG-CG 4.42Å; E56-R60 WeakPolarHBondContact O-CB 3.2Å; E56-R60 WeakPolarHBondContact O-CD 3.43Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.73Å; E56-R60 IonicContact OE1-CZ 3.32Å; E56-R60 IonicContact OE1-NE 3.93Å; E56-R60 PolarHBondContact OE1-NE 2.65Å; E56-R60 IonicContact OE1-NH2 2.68Å; E56-R60 PolarHBondContact OE1-NH2 3.42Å; E56-R60 IonicContact OE2-CZ 3.41Å; E56-R60 IonicContact OE2-NH2 3.37Å; E56-R60 PolarHBondContact OE2-NH2 2.71Å; E56-L65 HydrophobicContact CG-CD2 4.19Å; E56-F79 HydrophobicContact CB-CE2 4.24Å
57	K	91	Very high	86.6	Confident	107 Å²	107	65.6 Å²	65.6	47%	0.465	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-50.7	172.3	-173	-167.9	179.9	-173.2	0	110.5	L53 I54 L59 R60 H61 D194	L53-K57 PolarHBondContact O-N 2.82Å; I54-K57 PolarHBondContact O-N 3.09Å; K57-L59 PolarHBondContact O-N 3.04Å; K57-R60 PolarHBondContact O-N 2.95Å; K57-H61 WeakPolarHBondContact O-CB 3.26Å; K57-H61 PolarHBondContact O-N 2.9Å; K57-D194 VanDerWaalsContact NZ-CG 3.34Å; K57-D194 IonicContact NZ-OD2 3.2Å; K57-D194 PolarHBondContact NZ-OD2 2.79Å
58	Y	94.4	Very high	86.4	Confident	10 Å²	10	65.2 Å²	65.2	4%	0.039	35%	0.347	C	S	.	.	H	α-helix	trans	-59	-48.6	-177.7	-166.3	-79.9	0	0	0	112.2	I54 A55 H61 Y62 Y63 M86 F90 M106 R110	I54-Y58 WeakPolarHBondContact O-CB 3.42Å; I54-Y58 PolarHBondContact O-N 2.9Å; A55-Y58 PolarHBondContact O-N 3.02Å; Y58-H61 PolarHBondContact O-N 2.91Å; Y58-Y62 AromaticContact CD1-CD2 3.8Å; Y58-Y62 HydrophobicContact CD1-CD2 3.8Å; Y58-Y62 AromaticContact CD2-CD2 3.69Å; Y58-Y62 HydrophobicContact CD2-CD2 3.69Å; Y58-Y62 AromaticContact CD2-CE2 3.75Å; Y58-Y62 HydrophobicContact CD2-CE2 3.75Å; Y58-Y62 AromaticContact CE1-CD2 3.9Å; Y58-Y62 HydrophobicContact CE1-CD2 3.9Å; Y58-Y62 HydrophobicContact CE1-CG 4.47Å; Y58-Y62 AromaticContact CE2-CD2 3.8Å; Y58-Y62 HydrophobicContact CE2-CD2 3.8Å; Y58-Y62 AromaticContact CE2-CE2 3.88Å; Y58-Y62 HydrophobicContact CE2-CE2 3.88Å; Y58-Y62 AromaticContact CG-CD2 3.7Å; Y58-Y62 HydrophobicContact CG-CD2 3.7Å; Y58-Y62 HydrophobicContact CG-CE2 4.18Å; Y58-Y62 AromaticContact CZ-CD2 3.91Å; Y58-Y62 WeakPolarHBondContact O-CD2 3.14Å; Y58-Y62 PolarHBondContact O-N 2.97Å; Y58-Y63 HydrophobicContact CD1-CD2 4.37Å; Y58-Y63 HydrophobicContact CD1-CE2 4.42Å; Y58-Y63 HydrophobicContact CE1-CD2 4.25Å; Y58-Y63 AromaticContact CE1-CE2 3.85Å; Y58-Y63 HydrophobicContact CE1-CE2 3.85Å; Y58-M86 HydrophobicContact CE1-CE 4.05Å; Y58-M86 HydrophobicContact CE1-CG 3.93Å; Y58-F90 WeakPolarHBondContact OH-CE2 3.12Å; Y58-F90 WeakPolarHBondContact OH-CZ 3.39Å; Y58-M106 HydrophobicContact CD1-CE 3.97Å; Y58-M106 HydrophobicContact CD1-CG 3.82Å; Y58-M106 HydrophobicContact CD1-SD 4.3Å; Y58-M106 HydrophobicContact CD2-CB 3.88Å; Y58-M106 HydrophobicContact CD2-CG 3.88Å; Y58-M106 WeakPolarHBondContact CD2-O 3.29Å; Y58-M106 HydrophobicContact CE1-CE 4.46Å; Y58-M106 HydrophobicContact CE1-CG 4.01Å; Y58-M106 HydrophobicContact CE2-CB 4.1Å; Y58-M106 HydrophobicContact CE2-CG 4.07Å; Y58-M106 HydrophobicContact CG-CB 4.18Å; Y58-M106 HydrophobicContact CG-CG 3.75Å; Y58-M106 HydrophobicContact CG-SD 4.27Å; Y58-R110 PolarHBondContact OH-NH1 2.87Å
59	L	94.6	Very high	85	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-73.4	-27.4	-178.2	-64.2	174.7	0	0	0	113	A55 K57 Y63 G64 L65 F79 K82 V83 M86 M106	A55-L59 WeakPolarHBondContact O-CB 3.49Å; A55-L59 VanDerWaalsContact O-CG 3.24Å; A55-L59 WeakPolarHBondContact O-CG 3.35Å; A55-L59 PolarHBondContact O-N 2.84Å; K57-L59 PolarHBondContact O-N 3.04Å; L59-Y63 HydrophobicContact CD2-CD2 3.99Å; L59-Y63 HydrophobicContact CD2-CG 4.09Å; L59-Y63 CarbonylContact O-C 3.25Å; L59-Y63 VanDerWaalsContact O-C 3.25Å; L59-Y63 WeakPolarHBondContact O-CA 3.42Å; L59-Y63 WeakPolarHBondContact O-CB 3.47Å; L59-Y63 PolarHBondContact O-N 2.77Å; L59-G64 PolarHBondContact O-N 3.3Å; L59-L65 HydrophobicContact CB-CB 4.09Å; L59-L65 HydrophobicContact CB-CD2 4.06Å; L59-L65 WeakPolarHBondContact O-CB 3.48Å; L59-L65 PolarHBondContact O-N 3.4Å; L59-F79 HydrophobicContact CD1-CD2 4.23Å; L59-F79 HydrophobicContact CD1-CE1 4.22Å; L59-F79 HydrophobicContact CD1-CE2 3.91Å; L59-F79 HydrophobicContact CD1-CZ 3.89Å; L59-K82 HydrophobicContact CB-CB 4.29Å; L59-K82 HydrophobicContact CD1-CB 4.2Å; L59-K82 HydrophobicContact CD2-CB 4.1Å; L59-K82 HydrophobicContact CG-CB 4.43Å; L59-V83 HydrophobicContact CD1-CG2 3.61Å; L59-M86 HydrophobicContact CD2-CB 4.03Å; L59-M106 HydrophobicContact CD1-CE 4.4Å; L59-M106 HydrophobicContact CD2-CE 3.81Å; L59-M106 HydrophobicContact CG-CE 4.02Å
60	R	90.5	Very high	84	Confident	111 Å²	111	63.1 Å²	63.1	42%	0.419	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-49.9	169.3	-75.5	172.3	-178.4	-174.6	7.1	111	E56 K57 G64 L65	E56-R60 VanDerWaalsContact CD-CZ 3.49Å; E56-R60 HydrophobicContact CG-CG 4.42Å; E56-R60 WeakPolarHBondContact O-CB 3.2Å; E56-R60 WeakPolarHBondContact O-CD 3.43Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.73Å; E56-R60 IonicContact OE1-CZ 3.32Å; E56-R60 IonicContact OE1-NE 3.93Å; E56-R60 PolarHBondContact OE1-NE 2.65Å; E56-R60 IonicContact OE1-NH2 2.68Å; E56-R60 PolarHBondContact OE1-NH2 3.42Å; E56-R60 IonicContact OE2-CZ 3.41Å; E56-R60 IonicContact OE2-NH2 3.37Å; E56-R60 PolarHBondContact OE2-NH2 2.71Å; K57-R60 PolarHBondContact O-N 2.95Å; R60-G64 WeakPolarHBondContact O-CA 3.28Å; R60-G64 PolarHBondContact O-N 3.06Å; R60-L65 HydrophobicContact CG-CB 3.99Å; R60-L65 HydrophobicContact CG-CD2 4.27Å; R60-L65 HydrophobicContact CG-CG 4.39Å
61	H	90.3	Very high	82.7	Confident	62 Å²	62	62 Å²	62	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-69.7	-59.3	-176	-163.4	109.3	0	0	0	112.3	K57 Y58 G112	K57-H61 WeakPolarHBondContact O-CB 3.26Å; K57-H61 PolarHBondContact O-N 2.9Å; Y58-H61 PolarHBondContact O-N 2.91Å; H61-G112 PolarHBondContact CD2-O 2.95Å; H61-G112 PolarHBondContact NE2-O 2.85Å
62	Y	93.8	Very high	81.5	Confident	15 Å²	15	69.7 Å²	69.7	6%	0.059	38%	0.379	C	S	.	.	H	α-helix	trans	-88.7	-18.9	-169.7	-56.7	-65.7	0	0	0	114.4	Y58 R110 C111 V113 D115 V116	Y58-Y62 AromaticContact CD1-CD2 3.8Å; Y58-Y62 HydrophobicContact CD1-CD2 3.8Å; Y58-Y62 AromaticContact CD2-CD2 3.69Å; Y58-Y62 HydrophobicContact CD2-CD2 3.69Å; Y58-Y62 AromaticContact CD2-CE2 3.75Å; Y58-Y62 HydrophobicContact CD2-CE2 3.75Å; Y58-Y62 AromaticContact CE1-CD2 3.9Å; Y58-Y62 HydrophobicContact CE1-CD2 3.9Å; Y58-Y62 HydrophobicContact CE1-CG 4.47Å; Y58-Y62 AromaticContact CE2-CD2 3.8Å; Y58-Y62 HydrophobicContact CE2-CD2 3.8Å; Y58-Y62 AromaticContact CE2-CE2 3.88Å; Y58-Y62 HydrophobicContact CE2-CE2 3.88Å; Y58-Y62 AromaticContact CG-CD2 3.7Å; Y58-Y62 HydrophobicContact CG-CD2 3.7Å; Y58-Y62 HydrophobicContact CG-CE2 4.18Å; Y58-Y62 AromaticContact CZ-CD2 3.91Å; Y58-Y62 WeakPolarHBondContact O-CD2 3.14Å; Y58-Y62 PolarHBondContact O-N 2.97Å; Y62-R110 VanDerWaalsContact CE1-CZ 3.45Å; Y62-R110 VanDerWaalsContact CZ-NE 3.27Å; Y62-C111 WeakPolarHBondContact CE1-O 3.39Å; Y62-V113 WeakPolarHBondContact CD1-O 3.48Å; Y62-D115 PolarHBondContact O-N 3.48Å; Y62-V116 PolarHBondContact O-N 2.85Å
63	Y	92.9	Very high	80.2	Confident	1 Å²	1	73 Å²	73	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-123.9	-0.7	-173.9	-70.9	-95.7	0	0	0	114.3	Y58 L59 K82 Q85 M86 F89 D115 V116	Y58-Y63 HydrophobicContact CD1-CD2 4.37Å; Y58-Y63 HydrophobicContact CD1-CE2 4.42Å; Y58-Y63 HydrophobicContact CE1-CD2 4.25Å; Y58-Y63 AromaticContact CE1-CE2 3.85Å; Y58-Y63 HydrophobicContact CE1-CE2 3.85Å; L59-Y63 HydrophobicContact CD2-CD2 3.99Å; L59-Y63 HydrophobicContact CD2-CG 4.09Å; L59-Y63 CarbonylContact O-C 3.25Å; L59-Y63 VanDerWaalsContact O-C 3.25Å; L59-Y63 WeakPolarHBondContact O-CA 3.42Å; L59-Y63 WeakPolarHBondContact O-CB 3.47Å; L59-Y63 PolarHBondContact O-N 2.77Å; Y63-K82 WeakPolarHBondContact O-CE 3.43Å; Y63-K82 PolarHBondContact O-NZ 3.08Å; Y63-Q85 HydrophobicContact CD1-CB 3.89Å; Y63-Q85 HydrophobicContact CE1-CB 4.18Å; Y63-M86 HydrophobicContact CD1-CB 4.21Å; Y63-M86 HydrophobicContact CD2-CB 4.2Å; Y63-M86 HydrophobicContact CD2-CG 4.4Å; Y63-M86 VanDerWaalsContact CE1-CA 3.42Å; Y63-M86 HydrophobicContact CE1-CB 3.78Å; Y63-M86 HydrophobicContact CE1-CG 4.48Å; Y63-M86 HydrophobicContact CE2-CB 3.83Å; Y63-M86 HydrophobicContact CE2-CG 3.76Å; Y63-M86 HydrophobicContact CG-CB 4.43Å; Y63-F89 WeakPolarHBondContact OH-CB 3.42Å; Y63-D115 HydrophobicContact CE1-CB 4.16Å; Y63-D115 HydrophobicContact CE2-CB 3.95Å; Y63-D115 WeakPolarHBondContact CE2-OD2 3.43Å; Y63-D115 VanDerWaalsContact CZ-OD2 3.24Å; Y63-D115 VanDerWaalsContact OH-CB 3.22Å; Y63-D115 WeakPolarHBondContact OH-CB 3.48Å; Y63-D115 PolarHBondContact OH-OD2 3.22Å; Y63-V116 HydrophobicContact CD1-CG1 4.41Å; Y63-V116 HydrophobicContact CD1-CG2 3.5Å; Y63-V116 VanDerWaalsContact CD1-CG2 3.5Å; Y63-V116 HydrophobicContact CE1-CG1 4.22Å; Y63-V116 HydrophobicContact CE1-CG2 4.08Å; Y63-V116 HydrophobicContact CG-CG2 4.07Å
64	G	89.4	Confident	78.9	Confident	47 Å²	47	69.5 Å²	69.5	49%	0.485	38%	0.378	S	S	.	.			trans	63.3	41.7	178	0	0	0	0	0	114.1	L59 R60	L59-G64 PolarHBondContact O-N 3.3Å; R60-G64 WeakPolarHBondContact O-CA 3.28Å; R60-G64 PolarHBondContact O-N 3.06Å
65	L	89.1	Confident	77.8	Confident	13 Å²	13	69.3 Å²	69.3	7%	0.068	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-61.8	123.3	169	-178.1	66.2	0	0	0	109.9	E56 L59 R60 D78 F79 K82	E56-L65 HydrophobicContact CG-CD2 4.19Å; L59-L65 HydrophobicContact CB-CB 4.09Å; L59-L65 HydrophobicContact CB-CD2 4.06Å; L59-L65 WeakPolarHBondContact O-CB 3.48Å; L59-L65 PolarHBondContact O-N 3.4Å; R60-L65 HydrophobicContact CG-CB 3.99Å; R60-L65 HydrophobicContact CG-CD2 4.27Å; R60-L65 HydrophobicContact CG-CG 4.39Å; L65-D78 HydrophobicContact CD1-CB 3.99Å; L65-F79 HydrophobicContact CD2-CD2 3.82Å; L65-F79 HydrophobicContact CD2-CE2 4.42Å; L65-K82 HydrophobicContact CB-CG 4.26Å; L65-K82 HydrophobicContact CD1-CB 4.44Å; L65-K82 HydrophobicContact CD1-CG 3.94Å
66	P	83.7	Confident	77	Confident	67 Å²	67	73.1 Å²	73.1	44%	0.435	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-66.8	144.7	-171.8	-23.5	34.5	0	0	0	114.5
67	T	71.1	Confident	76.5	Confident	113 Å²	113	72.9 Å²	72.9	69%	0.693	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-97	127.9	173.9	51.3	0	0	0	0	111.4
68	G	60.7	Low	76.4	Confident	67 Å²	67	69.8 Å²	69.8	69%	0.691	40%	0.402	S	S	*	.	S	Bend	trans	153.1	-179.2	171.2	0	0	0	0	0	116.3	Q70	G68-Q70 PolarHBondContact O-N 2.8Å
69	L	45.5	Very low	76.2	Confident	192 Å²	192	71 Å²	71	100%	1.005	41%	0.408	S	S	*	.			trans	-76.6	67.5	176.3	-104.9	161.9	0	0	0	111.3
70	Q	56.8	Low	76.1	Confident	62 Å²	62	74.6 Å²	74.6	29%	0.29	42%	0.424	S	S	.	.			trans	-71.4	165.4	167.7	-67.2	-159.2	5.6	0	0	111.6	G68 S74 S75 D78	G68-Q70 PolarHBondContact O-N 2.8Å; Q70-S74 PolarHBondContact OE1-O 3.33Å; Q70-S74 PolarHBondContact OE1-OG 3.45Å; Q70-S75 VanDerWaalsContact OE1-CA 3.29Å; Q70-D78 PolarHBondContact NE2-OD2 3.31Å; Q70-D78 PolarHBondContact OE1-OD2 3.08Å
71	S	55.7	Low	76.1	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	42%	0.422	S	S	.	.			trans	-66.6	151.4	162.9	74.3	0	0	0	0	109.9	E73 S74 S75	S71-E73 PolarHBondContact O-N 2.72Å; S71-S74 PolarHBondContact O-N 3.49Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S71-S74 VanDerWaalsContact OG-CB 3.24Å; S71-S74 WeakPolarHBondContact OG-CB 3.39Å; S71-S74 PolarHBondContact OG-N 3.18Å; S71-S74 VanDerWaalsContact OG-N 3.11Å; S71-S75 PolarHBondContact O-N 2.99Å
72	K	61.4	Low	76.3	Confident	191 Å²	191	71.8 Å²	71.8	83%	0.83	42%	0.417	S	S	*	.	H	α-helix	trans	-59.5	-31	179.9	-171.5	172.6	-179.9	176.8	0	112.6	S76	K72-S76 WeakPolarHBondContact O-CB 3.37Å; K72-S76 PolarHBondContact O-N 2.94Å; K72-S76 VanDerWaalsContact O-N 3.15Å
73	E	60.6	Low	76.4	Confident	166 Å²	166	71 Å²	71	78%	0.776	41%	0.414	S	S	*	.	H	α-helix	trans	-71.6	-47.4	175.2	-64	173.5	154.5	0	0	111.4	S71 S75 S76 S77	S71-E73 PolarHBondContact O-N 2.72Å; E73-S75 PolarHBondContact O-N 2.79Å; E73-S76 PolarHBondContact O-N 2.91Å; E73-S77 PolarHBondContact O-N 3.48Å; E73-S77 PolarHBondContact O-OG 3.41Å
74	S	61.2	Low	76.5	Confident	43 Å²	43	73.9 Å²	73.9	30%	0.301	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-46.2	176.9	-176.7	0	0	0	0	111.7	Q70 S71 S76 S77 D78	Q70-S74 PolarHBondContact OE1-O 3.33Å; Q70-S74 PolarHBondContact OE1-OG 3.45Å; S71-S74 PolarHBondContact O-N 3.49Å; S71-S74 VanDerWaalsContact O-N 3.14Å; S71-S74 VanDerWaalsContact OG-CB 3.24Å; S71-S74 WeakPolarHBondContact OG-CB 3.39Å; S71-S74 PolarHBondContact OG-N 3.18Å; S71-S74 VanDerWaalsContact OG-N 3.11Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 2.85Å; S74-S77 WeakPolarHBondContact CA-OG 3.37Å; S74-S77 PolarHBondContact O-N 3.28Å; S74-S77 VanDerWaalsContact O-N 3.17Å; S74-S77 PolarHBondContact O-OG 3.04Å; S74-D78 WeakPolarHBondContact O-CB 3.32Å; S74-D78 PolarHBondContact O-N 2.96Å
75	S	67.6	Low	76.7	Confident	59 Å²	59	75.1 Å²	75.1	41%	0.413	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-39.8	177.7	169.3	0	0	0	0	111.5	Q70 S71 E73 F79	Q70-S75 VanDerWaalsContact OE1-CA 3.29Å; S71-S75 PolarHBondContact O-N 2.99Å; E73-S75 PolarHBondContact O-N 2.79Å; S75-F79 VanDerWaalsContact O-CB 3.3Å; S75-F79 WeakPolarHBondContact O-CB 3.25Å; S75-F79 PolarHBondContact O-N 2.87Å
76	S	74.6	Confident	77	Confident	81 Å²	81	74.5 Å²	74.5	57%	0.566	42%	0.417	S	S	*	.	H	α-helix	trans	-68	-34.2	175.1	-170.2	0	0	0	0	113	K72 E73 S74 K80	K72-S76 WeakPolarHBondContact O-CB 3.37Å; K72-S76 PolarHBondContact O-N 2.94Å; K72-S76 VanDerWaalsContact O-N 3.15Å; E73-S76 PolarHBondContact O-N 2.91Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 2.85Å; S76-K80 WeakPolarHBondContact O-CB 3.41Å; S76-K80 PolarHBondContact O-N 2.87Å
77	S	82.6	Confident	77.5	Confident	55 Å²	55	71.3 Å²	71.3	39%	0.385	40%	0.397	S	S	.	.	H	α-helix	trans	-74.5	-42.6	175.8	53.2	0	0	0	0	112.2	E73 S74 F79 K80 N81	E73-S77 PolarHBondContact O-N 3.48Å; E73-S77 PolarHBondContact O-OG 3.41Å; S74-S77 WeakPolarHBondContact CA-OG 3.37Å; S74-S77 PolarHBondContact O-N 3.28Å; S74-S77 VanDerWaalsContact O-N 3.17Å; S74-S77 PolarHBondContact O-OG 3.04Å; S77-F79 PolarHBondContact O-N 3.39Å; S77-K80 PolarHBondContact O-N 2.85Å; S77-N81 WeakPolarHBondContact O-CB 3.28Å; S77-N81 PolarHBondContact O-N 2.97Å; S77-N81 PolarHBondContact O-ND2 3.14Å; S77-N81 VanDerWaalsContact O-ND2 3.11Å; S77-N81 PolarHBondContact O-OD1 2.93Å
78	D	87.1	Confident	78.5	Confident	42 Å²	42	73.5 Å²	73.5	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-63	-43.5	177.5	-80.7	-0.3	0	0	0	111	L65 Q70 S74 N81 K82	L65-D78 HydrophobicContact CD1-CB 3.99Å; Q70-D78 PolarHBondContact NE2-OD2 3.31Å; Q70-D78 PolarHBondContact OE1-OD2 3.08Å; S74-D78 WeakPolarHBondContact O-CB 3.32Å; S74-D78 PolarHBondContact O-N 2.96Å; D78-N81 PolarHBondContact O-N 2.81Å; D78-K82 WeakPolarHBondContact O-CG 3.34Å; D78-K82 PolarHBondContact O-N 3.43Å
79	F	90.4	Very high	80	Confident	36 Å²	36	71.7 Å²	71.7	16%	0.158	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-51.8	174	-169.3	-82.8	0	0	0	111.3	L52 A55 E56 L59 L65 S75 S77 N81 K82 V83 L98	L52-F79 HydrophobicContact CD1-CZ 4.17Å; A55-F79 HydrophobicContact CB-CZ 3.9Å; E56-F79 HydrophobicContact CB-CE2 4.24Å; L59-F79 HydrophobicContact CD1-CD2 4.23Å; L59-F79 HydrophobicContact CD1-CE1 4.22Å; L59-F79 HydrophobicContact CD1-CE2 3.91Å; L59-F79 HydrophobicContact CD1-CZ 3.89Å; L65-F79 HydrophobicContact CD2-CD2 3.82Å; L65-F79 HydrophobicContact CD2-CE2 4.42Å; S75-F79 VanDerWaalsContact O-CB 3.3Å; S75-F79 WeakPolarHBondContact O-CB 3.25Å; S75-F79 PolarHBondContact O-N 2.87Å; S77-F79 PolarHBondContact O-N 3.39Å; F79-N81 PolarHBondContact O-N 3.02Å; F79-K82 PolarHBondContact O-N 3.44Å; F79-K82 VanDerWaalsContact O-N 3.13Å; F79-V83 HydrophobicContact CD1-CG2 3.84Å; F79-V83 HydrophobicContact CE1-CG2 3.55Å; F79-V83 HydrophobicContact CZ-CG2 4.33Å; F79-V83 WeakPolarHBondContact O-CG2 3.15Å; F79-V83 PolarHBondContact O-N 2.72Å; F79-L98 HydrophobicContact CE1-CD1 4.18Å; F79-L98 HydrophobicContact CE1-CD2 4.03Å; F79-L98 HydrophobicContact CE1-CG 4.05Å; F79-L98 HydrophobicContact CZ-CD1 3.99Å; F79-L98 HydrophobicContact CZ-CD2 4.12Å; F79-L98 HydrophobicContact CZ-CG 4.28Å
80	K	92.1	Very high	82.2	Confident	76 Å²	76	63.1 Å²	63.1	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-58.3	-46.9	177.9	-178.9	160	-149	-67.1	0	112.1	S76 S77 K82 V83 E84 T95 G96	S76-K80 WeakPolarHBondContact O-CB 3.41Å; S76-K80 PolarHBondContact O-N 2.87Å; S77-K80 PolarHBondContact O-N 2.85Å; K80-K82 PolarHBondContact O-N 2.85Å; K80-V83 PolarHBondContact O-N 2.81Å; K80-E84 IonicContact NZ-OE1 3.79Å; K80-E84 PolarHBondContact NZ-OE1 3.47Å; K80-E84 WeakPolarHBondContact O-CG 3.41Å; K80-E84 PolarHBondContact O-N 2.9Å; K80-T95 WeakPolarHBondContact CE-O 3.19Å; K80-T95 PolarHBondContact NZ-O 2.83Å; K80-G96 WeakPolarHBondContact CG-O 3.31Å
81	N	92.4	Very high	83.7	Confident	73 Å²	73	65 Å²	65	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-33.4	178.2	-67.4	-23.6	0	0	0	112.2	S77 D78 F79 Q85	S77-N81 WeakPolarHBondContact O-CB 3.28Å; S77-N81 PolarHBondContact O-N 2.97Å; S77-N81 PolarHBondContact O-ND2 3.14Å; S77-N81 VanDerWaalsContact O-ND2 3.11Å; S77-N81 PolarHBondContact O-OD1 2.93Å; D78-N81 PolarHBondContact O-N 2.81Å; F79-N81 PolarHBondContact O-N 3.02Å; N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-N 3.17Å; N81-Q85 PolarHBondContact O-NE2 2.98Å
82	K	94.1	Very high	85.2	Confident	40 Å²	40	62.7 Å²	62.7	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-79.1	-35.7	176.1	-67.3	-46.3	-166.8	162.7	0	113.1	L59 Y63 L65 D78 F79 K80 E84 Q85 M86	L59-K82 HydrophobicContact CB-CB 4.29Å; L59-K82 HydrophobicContact CD1-CB 4.2Å; L59-K82 HydrophobicContact CD2-CB 4.1Å; L59-K82 HydrophobicContact CG-CB 4.43Å; Y63-K82 WeakPolarHBondContact O-CE 3.43Å; Y63-K82 PolarHBondContact O-NZ 3.08Å; L65-K82 HydrophobicContact CB-CG 4.26Å; L65-K82 HydrophobicContact CD1-CB 4.44Å; L65-K82 HydrophobicContact CD1-CG 3.94Å; D78-K82 WeakPolarHBondContact O-CG 3.34Å; D78-K82 PolarHBondContact O-N 3.43Å; F79-K82 PolarHBondContact O-N 3.44Å; F79-K82 VanDerWaalsContact O-N 3.13Å; K80-K82 PolarHBondContact O-N 2.85Å; K82-E84 VanDerWaalsContact C-N 3.35Å; K82-Q85 PolarHBondContact O-N 3.19Å; K82-M86 PolarHBondContact O-N 2.76Å
83	V	94.8	Very high	86.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-45.9	167.7	176.5	0	0	0	0	110.6	L59 F79 K80 Q85 M86 Q87 N97 L98 T102	L59-V83 HydrophobicContact CD1-CG2 3.61Å; F79-V83 HydrophobicContact CD1-CG2 3.84Å; F79-V83 HydrophobicContact CE1-CG2 3.55Å; F79-V83 HydrophobicContact CZ-CG2 4.33Å; F79-V83 WeakPolarHBondContact O-CG2 3.15Å; F79-V83 PolarHBondContact O-N 2.72Å; K80-V83 PolarHBondContact O-N 2.81Å; V83-Q85 VanDerWaalsContact C-N 3.31Å; V83-Q85 PolarHBondContact O-N 2.8Å; V83-M86 PolarHBondContact O-N 3.36Å; V83-M86 VanDerWaalsContact O-N 3.17Å; V83-Q87 HydrophobicContact CG1-CG 4.1Å; V83-Q87 WeakPolarHBondContact O-CB 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.01Å; V83-Q87 PolarHBondContact O-N 3.16Å; V83-N97 WeakPolarHBondContact CG1-O 3.47Å; V83-L98 HydrophobicContact CG2-CD2 3.93Å; V83-T102 HydrophobicContact CG1-CG2 4.38Å
84	E	94.8	Very high	87.8	Confident	60 Å²	60	53.8 Å²	53.8	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-36	177.5	-70.4	177.1	-167.2	0	0	112.9	K80 K82 K88 V94 G96	K80-E84 IonicContact NZ-OE1 3.79Å; K80-E84 PolarHBondContact NZ-OE1 3.47Å; K80-E84 WeakPolarHBondContact O-CG 3.41Å; K80-E84 PolarHBondContact O-N 2.9Å; K82-E84 VanDerWaalsContact C-N 3.35Å; E84-K88 WeakPolarHBondContact O-CB 3.34Å; E84-K88 PolarHBondContact O-N 3.49Å; E84-K88 VanDerWaalsContact O-N 3.1Å; E84-V94 HydrophobicContact CB-CG1 3.76Å; E84-V94 HydrophobicContact CG-CG1 3.79Å; E84-G96 VanDerWaalsContact CG-CA 3.46Å
85	Q	94.4	Very high	89.2	Confident	74 Å²	74	53.1 Å²	53.1	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-43.8	173.4	-80.4	157	63.5	0	0	111.7	Y63 N81 K82 V83 F89	Y63-Q85 HydrophobicContact CD1-CB 3.89Å; Y63-Q85 HydrophobicContact CE1-CB 4.18Å; N81-Q85 WeakPolarHBondContact O-CG 3.4Å; N81-Q85 PolarHBondContact O-N 3.17Å; N81-Q85 PolarHBondContact O-NE2 2.98Å; K82-Q85 PolarHBondContact O-N 3.19Å; V83-Q85 VanDerWaalsContact C-N 3.31Å; V83-Q85 PolarHBondContact O-N 2.8Å; Q85-F89 PolarHBondContact O-N 2.82Å
86	M	95.4	Very high	90.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-50.7	178.4	-178	-81.7	-176.8	0	0	111.8	Y58 L59 Y63 K82 V83 K88 F89 F90 T102 V105 M106	Y58-M86 HydrophobicContact CE1-CE 4.05Å; Y58-M86 HydrophobicContact CE1-CG 3.93Å; L59-M86 HydrophobicContact CD2-CB 4.03Å; Y63-M86 HydrophobicContact CD1-CB 4.21Å; Y63-M86 HydrophobicContact CD2-CB 4.2Å; Y63-M86 HydrophobicContact CD2-CG 4.4Å; Y63-M86 VanDerWaalsContact CE1-CA 3.42Å; Y63-M86 HydrophobicContact CE1-CB 3.78Å; Y63-M86 HydrophobicContact CE1-CG 4.48Å; Y63-M86 HydrophobicContact CE2-CB 3.83Å; Y63-M86 HydrophobicContact CE2-CG 3.76Å; Y63-M86 HydrophobicContact CG-CB 4.43Å; K82-M86 PolarHBondContact O-N 2.76Å; V83-M86 PolarHBondContact O-N 3.36Å; V83-M86 VanDerWaalsContact O-N 3.17Å; M86-K88 VanDerWaalsContact C-N 3.26Å; M86-K88 PolarHBondContact O-N 3Å; M86-F89 WeakPolarHBondContact O-CB 3.13Å; M86-F89 PolarHBondContact O-N 3.02Å; M86-F90 HydrophobicContact CE-CD2 3.63Å; M86-F90 HydrophobicContact CE-CE2 3.93Å; M86-F90 HydrophobicContact CE-CG 4.26Å; M86-F90 HydrophobicContact CG-CD2 3.94Å; M86-F90 HydrophobicContact CG-CE2 4.19Å; M86-F90 WeakPolarHBondContact O-CD2 3.09Å; M86-F90 PolarHBondContact O-N 2.94Å; M86-F90 HydrophobicContact SD-CD2 3.92Å; M86-T102 HydrophobicContact SD-CG2 4.03Å; M86-V105 HydrophobicContact CE-CB 3.99Å; M86-V105 HydrophobicContact CE-CG1 3.59Å; M86-M106 HydrophobicContact CE-CE 4.17Å; M86-M106 HydrophobicContact CE-CG 3.72Å; M86-M106 HydrophobicContact CG-CE 4.05Å; M86-M106 HydrophobicContact SD-CE 4.01Å
87	Q	94.3	Very high	91	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.5	-43.4	176.6	-73.7	173.2	-26.5	0	0	111.6	V83 F90 K91 L92 Q93 T95 N97 D99 T102	V83-Q87 HydrophobicContact CG1-CG 4.1Å; V83-Q87 WeakPolarHBondContact O-CB 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.01Å; V83-Q87 PolarHBondContact O-N 3.16Å; Q87-F90 CarbonylContact O-C 3.57Å; Q87-F90 PolarHBondContact O-N 2.86Å; Q87-K91 PolarHBondContact O-N 3.06Å; Q87-K91 VanDerWaalsContact O-N 3.09Å; Q87-L92 HydrophobicContact CB-CB 4.11Å; Q87-L92 HydrophobicContact CG-CB 4.31Å; Q87-L92 HydrophobicContact CG-CD1 4.45Å; Q87-L92 PolarHBondContact O-N 2.8Å; Q87-Q93 PolarHBondContact OE1-O 2.91Å; Q87-T95 PolarHBondContact NE2-OG1 2.65Å; Q87-N97 PolarHBondContact NE2-O 2.75Å; Q87-D99 PolarHBondContact NE2-OD2 2.99Å; Q87-D99 VanDerWaalsContact NE2-OD2 3.16Å; Q87-T102 HydrophobicContact CG-CG2 4.46Å; Q87-T102 PolarHBondContact NE2-OG1 3.4Å
88	K	92.2	Very high	91.3	Very high	158 Å²	158	51 Å²	51	69%	0.687	25%	0.249	S	C	*	.	H	α-helix	trans	-64.8	-39.4	176.1	-175.6	-179.4	176.4	-174.4	0	112.9	E84 M86 K91 V94	E84-K88 WeakPolarHBondContact O-CB 3.34Å; E84-K88 PolarHBondContact O-N 3.49Å; E84-K88 VanDerWaalsContact O-N 3.1Å; M86-K88 VanDerWaalsContact C-N 3.26Å; M86-K88 PolarHBondContact O-N 3Å; K88-K91 PolarHBondContact O-N 2.78Å; K88-V94 HydrophobicContact CB-CG2 4Å
89	F	92.6	Very high	91.3	Very high	30 Å²	30	50.7 Å²	50.7	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-48.1	176.8	-173.5	-79.7	0	0	0	110.9	Y63 Q85 M86 K91 D115 H247 S248 S249 P257	Y63-F89 WeakPolarHBondContact OH-CB 3.42Å; Q85-F89 PolarHBondContact O-N 2.82Å; M86-F89 WeakPolarHBondContact O-CB 3.13Å; M86-F89 PolarHBondContact O-N 3.02Å; F89-K91 PolarHBondContact O-N 2.85Å; F89-D115 HydrophobicContact CD2-CB 4.15Å; F89-D115 HydrophobicContact CE2-CB 4.11Å; F89-D115 HydrophobicContact CG-CB 4.42Å; F89-D115 HydrophobicContact CZ-CB 4.35Å; F89-H247 HydrophobicContact CE2-CB 4.45Å; F89-H247 HydrophobicContact CZ-CB 3.78Å; F89-S248 WeakPolarHBondContact CE1-O 3.33Å; F89-S248 VanDerWaalsContact CZ-O 3.25Å; F89-S248 WeakPolarHBondContact CZ-O 3.31Å; F89-S249 WeakPolarHBondContact O-CB 3.47Å; F89-P257 HydrophobicContact CE1-CG 3.8Å; F89-P257 HydrophobicContact CZ-CG 4.46Å
90	F	90.9	Very high	91.1	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.048	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	11.6	179.7	-73.6	-82	0	0	0	114.3	Y58 M86 Q87 L92 V105 Y256 P257 V258	Y58-F90 WeakPolarHBondContact OH-CE2 3.12Å; Y58-F90 WeakPolarHBondContact OH-CZ 3.39Å; M86-F90 HydrophobicContact CE-CD2 3.63Å; M86-F90 HydrophobicContact CE-CE2 3.93Å; M86-F90 HydrophobicContact CE-CG 4.26Å; M86-F90 HydrophobicContact CG-CD2 3.94Å; M86-F90 HydrophobicContact CG-CE2 4.19Å; M86-F90 WeakPolarHBondContact O-CD2 3.09Å; M86-F90 PolarHBondContact O-N 2.94Å; M86-F90 HydrophobicContact SD-CD2 3.92Å; Q87-F90 CarbonylContact O-C 3.57Å; Q87-F90 PolarHBondContact O-N 2.86Å; F90-L92 HydrophobicContact CB-CD1 4.27Å; F90-L92 HydrophobicContact CB-CG 4.02Å; F90-L92 PolarHBondContact O-N 2.98Å; F90-L92 VanDerWaalsContact O-N 3.1Å; F90-V105 HydrophobicContact CB-CG1 4.42Å; F90-V105 HydrophobicContact CD1-CG1 3.55Å; F90-V105 HydrophobicContact CD2-CG1 4.22Å; F90-V105 HydrophobicContact CE1-CG1 3.77Å; F90-V105 HydrophobicContact CE2-CG1 4.41Å; F90-V105 HydrophobicContact CG-CG1 3.8Å; F90-V105 HydrophobicContact CZ-CG1 4.2Å; F90-Y256 HydrophobicContact CD1-CE2 4.44Å; F90-Y256 WeakPolarHBondContact CD1-OH 3.38Å; F90-P257 HydrophobicContact CE1-CG 3.85Å; F90-P257 HydrophobicContact CZ-CG 3.62Å; F90-V258 HydrophobicContact CE1-CG2 3.87Å; F90-V258 HydrophobicContact CZ-CG2 4.37Å
91	K	88.4	Confident	90.7	Very high	103 Å²	103	50 Å²	50	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.6	178.5	-62.4	164.4	175.1	161.7	0	114.4	Q87 K88 F89 S249	Q87-K91 PolarHBondContact O-N 3.06Å; Q87-K91 VanDerWaalsContact O-N 3.09Å; K88-K91 PolarHBondContact O-N 2.78Å; F89-K91 PolarHBondContact O-N 2.85Å; K91-S249 WeakPolarHBondContact CE-O 3.48Å; K91-S249 PolarHBondContact NZ-O 2.86Å
92	L	88.3	Confident	90.6	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.099	23%	0.23	C	C	.	.			trans	-78.9	171.2	173.1	-55.3	-179.5	0	0	0	111.3	Q87 F90 V94 N101 V105	Q87-L92 HydrophobicContact CB-CB 4.11Å; Q87-L92 HydrophobicContact CG-CB 4.31Å; Q87-L92 HydrophobicContact CG-CD1 4.45Å; Q87-L92 PolarHBondContact O-N 2.8Å; F90-L92 HydrophobicContact CB-CD1 4.27Å; F90-L92 HydrophobicContact CB-CG 4.02Å; F90-L92 PolarHBondContact O-N 2.98Å; F90-L92 VanDerWaalsContact O-N 3.1Å; L92-V94 PolarHBondContact O-N 2.77Å; L92-N101 HydrophobicContact CD1-CB 4.46Å; L92-N101 HydrophobicContact CD2-CB 4.44Å; L92-V105 HydrophobicContact CD1-CG2 4.39Å
93	Q	84.8	Confident	90.5	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.43	23%	0.225	S	C	.	.			trans	-67.7	126.1	173.7	-175.5	171.8	85.6	0	0	108.7	Q87 T95 E331	Q87-Q93 PolarHBondContact OE1-O 2.91Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 HydrophobicContact CB-CG2 4.13Å; Q93-T95 HydrophobicContact CG-CG2 3.76Å; Q93-T95 PolarHBondContact O-N 3.14Å; Q93-E331 HydrophobicContact CB-CG 3.69Å
94	V	91.1	Very high	90.2	Very high	77 Å²	77	49 Å²	49	47%	0.467	24%	0.243	S	C	.	.			trans	-79.6	80.7	-179.4	-174.2	0	0	0	0	109.2	E84 K88 L92	E84-V94 HydrophobicContact CB-CG1 3.76Å; E84-V94 HydrophobicContact CG-CG1 3.79Å; K88-V94 HydrophobicContact CB-CG2 4Å; L92-V94 PolarHBondContact O-N 2.77Å
95	T	90.9	Very high	90	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	24%	0.235	C	C	.	.			trans	-89.7	-32.9	177.9	71.8	0	0	0	0	111.7	K80 Q87 Q93 N97 D99	K80-T95 WeakPolarHBondContact CE-O 3.19Å; K80-T95 PolarHBondContact NZ-O 2.83Å; Q87-T95 PolarHBondContact NE2-OG1 2.65Å; Q93-T95 VanDerWaalsContact C-N 3.29Å; Q93-T95 HydrophobicContact CB-CG2 4.13Å; Q93-T95 HydrophobicContact CG-CG2 3.76Å; Q93-T95 PolarHBondContact O-N 3.14Å; T95-N97 PolarHBondContact O-ND2 2.84Å; T95-N97 PolarHBondContact OG1-N 3.44Å; T95-N97 PolarHBondContact OG1-O 2.86Å; T95-D99 WeakPolarHBondContact CG2-OD2 3.41Å; T95-D99 PolarHBondContact OG1-OD2 3.07Å
96	G	89.5	Confident	90	Very high	5 Å²	5	44 Å²	44	5%	0.052	22%	0.221	C	C	.	.	S	Bend	trans	70.8	16	-168.1	0	0	0	0	0	114.1	K80 E84	K80-G96 WeakPolarHBondContact CG-O 3.31Å; E84-G96 VanDerWaalsContact CG-CA 3.46Å
97	N	90.4	Very high	89.9	Confident	96 Å²	96	49.3 Å²	49.3	51%	0.513	24%	0.243	S	C	.	.	S	Bend	trans	-114.2	157.5	177.2	-53	-61.4	0	0	0	110.1	V83 Q87 T95 D99	V83-N97 WeakPolarHBondContact CG1-O 3.47Å; Q87-N97 PolarHBondContact NE2-O 2.75Å; T95-N97 PolarHBondContact O-ND2 2.84Å; T95-N97 PolarHBondContact OG1-N 3.44Å; T95-N97 PolarHBondContact OG1-O 2.86Å; N97-D99 VanDerWaalsContact C-N 3.29Å; N97-D99 PolarHBondContact O-N 2.91Å
98	L	88.8	Confident	89.8	Confident	50 Å²	50	52.9 Å²	52.9	26%	0.262	26%	0.262	S	S	.	.			trans	-78.5	86.3	165.7	-56.2	-179.4	0	0	0	108.5	L52 A55 F79 V83 T102 L103 M106	L52-L98 HydrophobicContact CD1-CD1 4.04Å; A55-L98 HydrophobicContact CB-CD1 3.57Å; A55-L98 HydrophobicContact CB-CD2 3.58Å; A55-L98 HydrophobicContact CB-CG 4.23Å; F79-L98 HydrophobicContact CE1-CD1 4.18Å; F79-L98 HydrophobicContact CE1-CD2 4.03Å; F79-L98 HydrophobicContact CE1-CG 4.05Å; F79-L98 HydrophobicContact CZ-CD1 3.99Å; F79-L98 HydrophobicContact CZ-CD2 4.12Å; F79-L98 HydrophobicContact CZ-CG 4.28Å; V83-L98 HydrophobicContact CG2-CD2 3.93Å; L98-T102 HydrophobicContact CD2-CG2 4.25Å; L98-L103 HydrophobicContact CB-CD1 4.22Å; L98-L103 HydrophobicContact CB-CD2 4.35Å; L98-L103 HydrophobicContact CB-CG 4.21Å; L98-L103 HydrophobicContact CD1-CD2 4.38Å; L98-M106 HydrophobicContact CD2-SD 4.46Å
99	D	86.1	Confident	90	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.193	24%	0.238	C	C	.	.			trans	-86.3	163.2	164.5	44.3	57.8	0	0	0	110.8	Q87 T95 N97 N101 T102 L103	Q87-D99 PolarHBondContact NE2-OD2 2.99Å; Q87-D99 VanDerWaalsContact NE2-OD2 3.16Å; T95-D99 WeakPolarHBondContact CG2-OD2 3.41Å; T95-D99 PolarHBondContact OG1-OD2 3.07Å; N97-D99 VanDerWaalsContact C-N 3.29Å; N97-D99 PolarHBondContact O-N 2.91Å; D99-N101 VanDerWaalsContact C-N 3.29Å; D99-N101 PolarHBondContact O-N 3.38Å; D99-T102 WeakPolarHBondContact O-CB 3.36Å; D99-T102 PolarHBondContact O-N 2.98Å; D99-T102 VanDerWaalsContact OD1-CB 3.3Å; D99-T102 WeakPolarHBondContact OD1-CB 3.33Å; D99-T102 PolarHBondContact OD1-N 2.75Å; D99-T102 PolarHBondContact OD1-OG1 3.31Å; D99-L103 PolarHBondContact O-N 2.98Å
100	D	85.9	Confident	90.2	Very high	88 Å²	88	45.3 Å²	45.3	47%	0.471	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-37	-171.9	-57.6	-41	0	0	0	111.9	T102 L103 E104	D100-T102 VanDerWaalsContact C-N 3.34Å; D100-T102 PolarHBondContact O-N 3.27Å; D100-L103 PolarHBondContact O-N 2.98Å; D100-E104 PolarHBondContact O-N 3.18Å
101	N	84.9	Confident	90.5	Very high	8 Å²	8	45 Å²	45	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-50.5	-51.9	169.1	-74.7	88.8	0	0	0	112	L92 D99 L103 V105 M329 A330 E331	L92-N101 HydrophobicContact CD1-CB 4.46Å; L92-N101 HydrophobicContact CD2-CB 4.44Å; D99-N101 VanDerWaalsContact C-N 3.29Å; D99-N101 PolarHBondContact O-N 3.38Å; N101-L103 VanDerWaalsContact C-N 3.33Å; N101-L103 PolarHBondContact O-N 3.2Å; N101-V105 WeakPolarHBondContact O-CG2 3.5Å; N101-V105 PolarHBondContact O-N 2.88Å; N101-M329 HydrophobicContact CB-SD 4.32Å; N101-M329 VanDerWaalsContact CG-SD 3.58Å; N101-M329 PolarHBondContact ND2-SD 2.83Å; N101-M329 WeakPolarHBondContact OD1-CA 3.48Å; N101-M329 WeakPolarHBondContact OD1-CB 3.37Å; N101-M329 WeakPolarHBondContact OD1-CG 3.49Å; N101-A330 PolarHBondContact OD1-N 2.78Å; N101-E331 PolarHBondContact ND2-O 3.49Å
102	T	90.5	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-40.8	-178.4	-60.1	0	0	0	0	110.8	V83 M86 Q87 L98 D99 D100 M106	V83-T102 HydrophobicContact CG1-CG2 4.38Å; M86-T102 HydrophobicContact SD-CG2 4.03Å; Q87-T102 HydrophobicContact CG-CG2 4.46Å; Q87-T102 PolarHBondContact NE2-OG1 3.4Å; L98-T102 HydrophobicContact CD2-CG2 4.25Å; D99-T102 WeakPolarHBondContact O-CB 3.36Å; D99-T102 PolarHBondContact O-N 2.98Å; D99-T102 VanDerWaalsContact OD1-CB 3.3Å; D99-T102 WeakPolarHBondContact OD1-CB 3.33Å; D99-T102 PolarHBondContact OD1-N 2.75Å; D99-T102 PolarHBondContact OD1-OG1 3.31Å; D100-T102 VanDerWaalsContact C-N 3.34Å; D100-T102 PolarHBondContact O-N 3.27Å; T102-M106 HydrophobicContact CG2-CE 3.68Å; T102-M106 HydrophobicContact CG2-SD 4.12Å; T102-M106 WeakPolarHBondContact O-CB 3.28Å; T102-M106 VanDerWaalsContact O-CG 3.24Å; T102-M106 WeakPolarHBondContact O-CG 3.37Å; T102-M106 PolarHBondContact O-N 3.06Å
103	L	91	Very high	91.1	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-74.2	-33.8	-179.8	-71.6	170.9	0	0	0	113.8	D51 L98 D99 D100 N101 K107	D51-L103 HydrophobicContact CB-CD1 3.96Å; D51-L103 HydrophobicContact CB-CD2 3.96Å; L98-L103 HydrophobicContact CB-CD1 4.22Å; L98-L103 HydrophobicContact CB-CD2 4.35Å; L98-L103 HydrophobicContact CB-CG 4.21Å; L98-L103 HydrophobicContact CD1-CD2 4.38Å; D99-L103 PolarHBondContact O-N 2.98Å; D100-L103 PolarHBondContact O-N 2.98Å; N101-L103 VanDerWaalsContact C-N 3.33Å; N101-L103 PolarHBondContact O-N 3.2Å; L103-K107 WeakPolarHBondContact O-CD 3.41Å; L103-K107 WeakPolarHBondContact O-CE 3.49Å; L103-K107 VanDerWaalsContact O-CG 3.24Å; L103-K107 WeakPolarHBondContact O-CG 3.01Å; L103-K107 PolarHBondContact O-N 2.7Å
104	E	89.2	Confident	91.5	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-50.8	171.1	-75.7	-165.1	169.2	0	0	109.8	D100 M106 K107 R324	D100-E104 PolarHBondContact O-N 3.18Å; E104-M106 VanDerWaalsContact C-N 3.33Å; E104-M106 PolarHBondContact O-N 3.02Å; E104-K107 PolarHBondContact O-N 3.44Å; E104-R324 IonicContact OE1-NH2 3.36Å; E104-R324 IonicContact OE2-CZ 3.14Å; E104-R324 IonicContact OE2-NH1 3.69Å; E104-R324 PolarHBondContact OE2-NH1 2.82Å; E104-R324 IonicContact OE2-NH2 2.77Å
105	V	91.2	Very high	91.6	Very high	19 Å²	19	34.2 Å²	34.2	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-35.4	180	176.5	0	0	0	0	112.7	M86 F90 L92 N101 K107 L108	M86-V105 HydrophobicContact CE-CB 3.99Å; M86-V105 HydrophobicContact CE-CG1 3.59Å; F90-V105 HydrophobicContact CB-CG1 4.42Å; F90-V105 HydrophobicContact CD1-CG1 3.55Å; F90-V105 HydrophobicContact CD2-CG1 4.22Å; F90-V105 HydrophobicContact CE1-CG1 3.77Å; F90-V105 HydrophobicContact CE2-CG1 4.41Å; F90-V105 HydrophobicContact CG-CG1 3.8Å; F90-V105 HydrophobicContact CZ-CG1 4.2Å; L92-V105 HydrophobicContact CD1-CG2 4.39Å; N101-V105 WeakPolarHBondContact O-CG2 3.5Å; N101-V105 PolarHBondContact O-N 2.88Å; V105-K107 PolarHBondContact O-N 2.75Å; V105-L108 PolarHBondContact O-N 2.71Å
106	M	93.7	Very high	91.2	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.049	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.1	175.2	-76.6	-178.7	177.4	0	0	114.4	A55 Y58 L59 M86 L98 T102 E104	A55-M106 HydrophobicContact CB-CE 4.49Å; A55-M106 HydrophobicContact CB-SD 3.67Å; Y58-M106 HydrophobicContact CD1-CE 3.97Å; Y58-M106 HydrophobicContact CD1-CG 3.82Å; Y58-M106 HydrophobicContact CD1-SD 4.3Å; Y58-M106 HydrophobicContact CD2-CB 3.88Å; Y58-M106 HydrophobicContact CD2-CG 3.88Å; Y58-M106 WeakPolarHBondContact CD2-O 3.29Å; Y58-M106 HydrophobicContact CE1-CE 4.46Å; Y58-M106 HydrophobicContact CE1-CG 4.01Å; Y58-M106 HydrophobicContact CE2-CB 4.1Å; Y58-M106 HydrophobicContact CE2-CG 4.07Å; Y58-M106 HydrophobicContact CG-CB 4.18Å; Y58-M106 HydrophobicContact CG-CG 3.75Å; Y58-M106 HydrophobicContact CG-SD 4.27Å; L59-M106 HydrophobicContact CD1-CE 4.4Å; L59-M106 HydrophobicContact CD2-CE 3.81Å; L59-M106 HydrophobicContact CG-CE 4.02Å; M86-M106 HydrophobicContact CE-CE 4.17Å; M86-M106 HydrophobicContact CE-CG 3.72Å; M86-M106 HydrophobicContact CG-CE 4.05Å; M86-M106 HydrophobicContact SD-CE 4.01Å; L98-M106 HydrophobicContact CD2-SD 4.46Å; T102-M106 HydrophobicContact CG2-CE 3.68Å; T102-M106 HydrophobicContact CG2-SD 4.12Å; T102-M106 WeakPolarHBondContact O-CB 3.28Å; T102-M106 VanDerWaalsContact O-CG 3.24Å; T102-M106 WeakPolarHBondContact O-CG 3.37Å; T102-M106 PolarHBondContact O-N 3.06Å; E104-M106 VanDerWaalsContact C-N 3.33Å; E104-M106 PolarHBondContact O-N 3.02Å
107	K	92.8	Very high	89.9	Confident	110 Å²	110	35.7 Å²	35.7	48%	0.478	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	0.3	-179.1	-66	165.2	-169.1	171.8	0	113.3	D51 I54 L103 E104 V105	D51-K107 WeakPolarHBondContact OD1-CE 3.31Å; D51-K107 IonicContact OD1-NZ 2.74Å; D51-K107 PolarHBondContact OD1-NZ 2.76Å; I54-K107 HydrophobicContact CG2-CG 4.34Å; L103-K107 WeakPolarHBondContact O-CD 3.41Å; L103-K107 WeakPolarHBondContact O-CE 3.49Å; L103-K107 VanDerWaalsContact O-CG 3.24Å; L103-K107 WeakPolarHBondContact O-CG 3.01Å; L103-K107 PolarHBondContact O-N 2.7Å; E104-K107 PolarHBondContact O-N 3.44Å; V105-K107 PolarHBondContact O-N 2.75Å
108	L	92.6	Very high	88.1	Confident	75 Å²	75	37.8 Å²	37.8	39%	0.393	20%	0.201	S	C	.	.	S	Bend	trans	-80.8	141.4	178	-63.1	176.9	0	0	0	111.5	V105 V258	V105-L108 PolarHBondContact O-N 2.71Å; L108-V258 HydrophobicContact CB-CG1 3.74Å; L108-V258 HydrophobicContact CB-CG2 4.19Å; L108-V258 HydrophobicContact CD1-CG1 3.9Å; L108-V258 HydrophobicContact CG-CG1 4.44Å
109	P	95.8	Very high	86.4	Confident	27 Å²	27	37.1 Å²	37.1	18%	0.175	20%	0.195	C	C	.	.			trans	-64	137	177.2	27.1	-35.5	0	0	0	111.3	G198 L200 Y229 Y259	P109-G198 WeakPolarHBondContact CA-O 3.15Å; P109-L200 HydrophobicContact CB-CD1 4.36Å; P109-L200 HydrophobicContact CB-CD2 3.94Å; P109-L200 HydrophobicContact CB-CG 4.27Å; P109-Y229 HydrophobicContact CB-CE1 3.73Å; P109-Y229 WeakPolarHBondContact CB-OH 3.16Å; P109-Y229 HydrophobicContact CG-CE1 3.8Å; P109-Y229 WeakPolarHBondContact CG-OH 3.5Å; P109-Y259 PolarHBondContact O-N 3.03Å
110	R	97.3	Very high	84.3	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	168.9	-167.5	59.1	163.8	-70.5	150	6.4	114.2	Y58 Y62 V113 D115 G198 L200 H247 P257 V258	Y58-R110 PolarHBondContact OH-NH1 2.87Å; Y62-R110 VanDerWaalsContact CE1-CZ 3.45Å; Y62-R110 VanDerWaalsContact CZ-NE 3.27Å; R110-V113 PolarHBondContact NH2-O 3.34Å; R110-V113 VanDerWaalsContact NH2-O 3.14Å; R110-D115 IonicContact CZ-OD1 3.89Å; R110-D115 IonicContact CZ-OD2 3.17Å; R110-D115 IonicContact NH1-OD1 3.76Å; R110-D115 PolarHBondContact NH1-OD1 3.04Å; R110-D115 IonicContact NH1-OD2 2.85Å; R110-D115 PolarHBondContact NH1-OD2 2.77Å; R110-D115 IonicContact NH2-OD1 3.89Å; R110-D115 PolarHBondContact NH2-OD1 3.01Å; R110-D115 IonicContact NH2-OD2 2.9Å; R110-G198 PolarHBondContact N-O 2.8Å; R110-L200 PolarHBondContact O-N 3.2Å; R110-H247 PolarHBondContact NH2-CE1 3.04Å; R110-H247 VanDerWaalsContact NH2-CE1 3.29Å; R110-P257 CarbonylContact C-O 3.42Å; R110-P257 WeakPolarHBondContact CA-O 3.37Å; R110-P257 WeakPolarHBondContact CB-O 3.36Å; R110-V258 HydrophobicContact CB-CG2 4.35Å
111	C	97.7	Very high	82	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.034	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.7	166.3	177.4	0	0	0	0	111.6	Y62 V113 H237 E238 H247 P257	Y62-C111 WeakPolarHBondContact CE1-O 3.39Å; C111-V113 VanDerWaalsContact C-N 3.33Å; C111-V113 PolarHBondContact O-N 2.77Å; C111-V113 PolarHBondContact SG-N 2.75Å; C111-V113 VanDerWaalsContact SG-N 3.39Å; C111-H237 VanDerWaalsContact CB-NE2 3.31Å; C111-H237 WeakPolarHBondContact CB-NE2 3.43Å; C111-E238 WeakPolarHBondContact CB-OE1 3.41Å; C111-E238 VanDerWaalsContact SG-CD 3.58Å; C111-E238 PolarHBondContact SG-OE1 3.01Å; C111-E238 PolarHBondContact SG-OE2 2.84Å; C111-H247 WeakPolarHBondContact CB-NE2 3.36Å; C111-P257 PolarHBondContact N-O 2.92Å
112	G	95.4	Very high	79.7	Confident	3 Å²	3	51 Å²	51	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-74.4	-10.9	179	0	0	0	0	0	116.5	H61 A201	H61-G112 PolarHBondContact CD2-O 2.95Å; H61-G112 PolarHBondContact NE2-O 2.85Å; G112-A201 PolarHBondContact N-O 3.44Å
113	V	94.2	Very high	77.4	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	30%	0.3	C	S	.	.	S	Bend	trans	-69.3	141.7	179.6	175	0	0	0	0	110.5	Y62 R110 C111 Y119 H202 A203 H247	Y62-V113 WeakPolarHBondContact CD1-O 3.48Å; R110-V113 PolarHBondContact NH2-O 3.34Å; R110-V113 VanDerWaalsContact NH2-O 3.14Å; C111-V113 VanDerWaalsContact C-N 3.33Å; C111-V113 PolarHBondContact O-N 2.77Å; C111-V113 PolarHBondContact SG-N 2.75Å; C111-V113 VanDerWaalsContact SG-N 3.39Å; V113-Y119 HydrophobicContact CG1-CE2 3.8Å; V113-H202 HydrophobicContact CG2-CB 4.08Å; V113-A203 WeakPolarHBondContact CG2-O 3.24Å; V113-H247 PolarHBondContact O-CE1 3.39Å
114	P	92.7	Very high	75.5	Confident	38 Å²	38	65.3 Å²	65.3	25%	0.247	33%	0.328	C	S	.	.			trans	-65.1	140.2	176.7	-24.3	35.2	0	0	0	114	V116	P114-V116 VanDerWaalsContact C-N 3.33Å
115	D	92.1	Very high	74.4	Confident	13 Å²	13	68.3 Å²	68.3	7%	0.07	34%	0.342	C	S	.	.	S	Bend	trans	-74.2	-27	176.8	-60.9	-21.6	0	0	0	111.9	Y62 Y63 F89 R110 H247	Y62-D115 PolarHBondContact O-N 3.48Å; Y63-D115 HydrophobicContact CE1-CB 4.16Å; Y63-D115 HydrophobicContact CE2-CB 3.95Å; Y63-D115 WeakPolarHBondContact CE2-OD2 3.43Å; Y63-D115 VanDerWaalsContact CZ-OD2 3.24Å; Y63-D115 VanDerWaalsContact OH-CB 3.22Å; Y63-D115 WeakPolarHBondContact OH-CB 3.48Å; Y63-D115 PolarHBondContact OH-OD2 3.22Å; F89-D115 HydrophobicContact CD2-CB 4.15Å; F89-D115 HydrophobicContact CE2-CB 4.11Å; F89-D115 HydrophobicContact CG-CB 4.42Å; F89-D115 HydrophobicContact CZ-CB 4.35Å; R110-D115 IonicContact CZ-OD1 3.89Å; R110-D115 IonicContact CZ-OD2 3.17Å; R110-D115 IonicContact NH1-OD1 3.76Å; R110-D115 PolarHBondContact NH1-OD1 3.04Å; R110-D115 IonicContact NH1-OD2 2.85Å; R110-D115 PolarHBondContact NH1-OD2 2.77Å; R110-D115 IonicContact NH2-OD1 3.89Å; R110-D115 PolarHBondContact NH2-OD1 3.01Å; R110-D115 IonicContact NH2-OD2 2.9Å; D115-H247 IonicContact OD1-CE1 3.49Å; D115-H247 PolarHBondContact OD1-CE1 3.07Å; D115-H247 IonicContact OD1-CG 3.76Å; D115-H247 IonicContact OD1-ND1 2.7Å; D115-H247 PolarHBondContact OD1-ND1 3.08Å
116	V	82.9	Confident	73.9	Confident	42 Å²	42	69.2 Å²	69.2	26%	0.255	35%	0.346	S	S	.	.	S	Bend	trans	-137	141.1	175.5	-62.6	0	0	0	0	111.4	Y62 Y63 P114	Y62-V116 PolarHBondContact O-N 2.85Å; Y63-V116 HydrophobicContact CD1-CG1 4.41Å; Y63-V116 HydrophobicContact CD1-CG2 3.5Å; Y63-V116 VanDerWaalsContact CD1-CG2 3.5Å; Y63-V116 HydrophobicContact CE1-CG1 4.22Å; Y63-V116 HydrophobicContact CE1-CG2 4.08Å; Y63-V116 HydrophobicContact CG-CG2 4.07Å; P114-V116 VanDerWaalsContact C-N 3.33Å
117	G	62.9	Low	73.8	Confident	23 Å²	23	73.1 Å²	73.1	24%	0.237	36%	0.363	C	S	.	.	S	Bend	trans	113.1	-174.2	-171.2	0	0	0	0	0	111.6	Y119 N120	G117-Y119 VanDerWaalsContact C-N 3.34Å; G117-Y119 PolarHBondContact O-N 2.72Å; G117-N120 PolarHBondContact O-N 2.99Å
118	E	52.8	Low	73.9	Confident	139 Å²	139	69.3 Å²	69.3	65%	0.65	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	42.9	-73.3	174.8	-51.4	-132.9	123.8	0	0	116.6	N120	E118-N120 PolarHBondContact O-N 2.78Å
119	Y	51.8	Low	73.9	Confident	37 Å²	37	74.7 Å²	74.7	15%	0.145	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-53.7	-31.6	169.1	-65.8	-86.4	0	0	0	113.7	V113 G117 L126 P205 H241 M245	V113-Y119 HydrophobicContact CG1-CE2 3.8Å; G117-Y119 VanDerWaalsContact C-N 3.34Å; G117-Y119 PolarHBondContact O-N 2.72Å; Y119-L126 HydrophobicContact CD1-CD1 3.97Å; Y119-L126 HydrophobicContact CE1-CD1 4.35Å; Y119-P205 HydrophobicContact CE1-CB 4Å; Y119-H241 AromaticContact CZ-ND1 3.86Å; Y119-H241 WeakPolarHBondContact OH-CB 3.47Å; Y119-H241 PolarHBondContact OH-ND1 3.19Å; Y119-M245 VanDerWaalsContact CE1-O 3.25Å; Y119-M245 WeakPolarHBondContact CE1-O 3.15Å; Y119-M245 PolarHBondContact OH-O 2.92Å
120	N	42.3	Very low	73.7	Confident	127 Å²	127	78.8 Å²	78.8	68%	0.679	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-95.1	-4.8	-171.1	-102.1	-52.1	0	0	0	115.9	G117 E118	G117-N120 PolarHBondContact O-N 2.99Å; E118-N120 PolarHBondContact O-N 2.78Å
121	H	38	Very low	73.6	Confident	148 Å²	148	81.7 Å²	81.7	69%	0.685	41%	0.405	S	S	*	.	S	Bend	trans	-90.3	-13.9	-169.8	-99.2	-44.8	0	0	0	116.5
122	F	37.4	Very low	73.6	Confident	148 Å²	148	86.7 Å²	86.7	65%	0.649	43%	0.431	S	S	*	.	S	Bend	trans	-145.4	150	167.2	-69.6	-80.5	0	0	0	109.7	R124	F122-R124 HydrophobicContact CB-CG 4.17Å; F122-R124 PolarHBondContact O-N 2.83Å
123	P	41.1	Very low	73.7	Confident	137 Å²	137	86.6 Å²	86.6	89%	0.89	43%	0.43	S	S	*	.			trans	-72.2	73.3	170.3	31.9	-35.3	0	0	0	110.1
124	R	52.7	Low	73.9	Confident	176 Å²	176	87.5 Å²	87.5	66%	0.664	44%	0.436	S	S	*	.			trans	-107.2	120.5	168	-68.4	-176.4	179.8	-173.3	1.1	107.1	F122 L126	F122-R124 HydrophobicContact CB-CG 4.17Å; F122-R124 PolarHBondContact O-N 2.83Å; R124-L126 HydrophobicContact CB-CD2 3.94Å; R124-L126 HydrophobicContact CB-CG 4.14Å; R124-L126 PolarHBondContact O-N 3.1Å
125	H	64.5	Low	74.2	Confident	145 Å²	145	85.8 Å²	85.8	67%	0.671	42%	0.424	S	S	*	.			trans	-67.6	90.3	157.7	-56.1	-76.8	0	0	0	106.2	K127 L278	H125-K127 HydrophobicContact CB-CG 4.38Å; H125-K127 PolarHBondContact O-N 2.95Å; H125-L278 HydrophobicContact CB-CD2 4.1Å
126	L	81.6	Confident	74.5	Confident	38 Å²	38	88 Å²	88	20%	0.199	43%	0.432	C	S	.	.			trans	-69.1	84.1	178.8	-68.7	173.1	0	0	0	107.8	Y119 R124 P205 P206 G244	Y119-L126 HydrophobicContact CD1-CD1 3.97Å; Y119-L126 HydrophobicContact CE1-CD1 4.35Å; R124-L126 HydrophobicContact CB-CD2 3.94Å; R124-L126 HydrophobicContact CB-CG 4.14Å; R124-L126 PolarHBondContact O-N 3.1Å; L126-P205 HydrophobicContact CB-CB 4.33Å; L126-P205 HydrophobicContact CD1-CB 3.96Å; L126-P205 HydrophobicContact CD1-CG 4.3Å; L126-P206 WeakPolarHBondContact O-CG 3.31Å; L126-G244 WeakPolarHBondContact O-CA 3.4Å
127	K	90.9	Very high	75.3	Confident	91 Å²	91	86.5 Å²	86.5	40%	0.396	42%	0.422	S	S	.	.			trans	-141.4	156.5	-173.4	73.6	167.2	-175.5	167.8	0	111.6	H125 L278 Y279	H125-K127 HydrophobicContact CB-CG 4.38Å; H125-K127 PolarHBondContact O-N 2.95Å; K127-L278 HydrophobicContact CD-CB 4.42Å; K127-L278 WeakPolarHBondContact CD-O 3.44Å; K127-L278 WeakPolarHBondContact CE-O 3.18Å; K127-L278 PolarHBondContact NZ-O 3.1Å; K127-Y279 WeakPolarHBondContact CA-OH 3.24Å; K127-Y279 HydrophobicContact CB-CE1 3.91Å; K127-Y279 HydrophobicContact CB-CE2 4.37Å; K127-Y279 WeakPolarHBondContact CB-OH 3.08Å; K127-Y279 HydrophobicContact CD-CD1 4.47Å; K127-Y279 HydrophobicContact CD-CE1 4.26Å
128	W	95.3	Very high	76.9	Confident	30 Å²	30	88.9 Å²	88.9	11%	0.114	43%	0.432	C	S	.	.			trans	-65.1	134.6	172.1	-62.5	107.2	0	0	0	111.1	N130 V133 D177 I178 P206 G207 G211 A242 Y279	W128-N130 PolarHBondContact O-N 2.81Å; W128-V133 HydrophobicContact CB-CG2 4.04Å; W128-V133 HydrophobicContact CG-CG2 3.84Å; W128-D177 HydrophobicContact CE3-CB 4.4Å; W128-D177 HydrophobicContact CH2-CB 3.93Å; W128-D177 WeakPolarHBondContact CH2-O 3.36Å; W128-D177 HydrophobicContact CZ2-CB 4.21Å; W128-D177 WeakPolarHBondContact CZ2-O 3.47Å; W128-D177 HydrophobicContact CZ3-CB 4.04Å; W128-I178 HydrophobicContact CZ2-CG1 4.21Å; W128-P206 HydrophobicContact CD2-CB 3.89Å; W128-P206 HydrophobicContact CD2-CG 4.49Å; W128-P206 HydrophobicContact CE3-CB 4.36Å; W128-P206 HydrophobicContact CG-CB 4.22Å; W128-P206 HydrophobicContact CH2-CB 4.47Å; W128-P206 HydrophobicContact CZ2-CB 4Å; W128-P206 HydrophobicContact CZ2-CG 4.46Å; W128-G207 WeakPolarHBondContact CH2-O 3.21Å; W128-G211 WeakPolarHBondContact CH2-O 3.42Å; W128-A242 PolarHBondContact NE1-O 3.39Å; W128-Y279 HydrophobicContact CB-CE1 4.34Å; W128-Y279 PolarHBondContact N-OH 2.85Å; W128-Y279 VanDerWaalsContact N-OH 3.08Å
129	E	91.9	Very high	79.1	Confident	188 Å²	188	85 Å²	85	88%	0.879	42%	0.416	S	S	*	.	S	Bend	trans	-65.5	-22.1	175.7	-62	-170.4	152.8	0	0	112.4
130	N	92	Very high	81.3	Confident	113 Å²	113	85.6 Å²	85.6	60%	0.604	42%	0.418	S	S	*	.	S	Bend	trans	-124.7	137.1	-175.2	-67.8	-80.2	0	0	0	111	W128 N132	W128-N130 PolarHBondContact O-N 2.81Å; N130-N132 PolarHBondContact O-N 2.72Å
131	N	95.4	Very high	84	Confident	64 Å²	64	79.7 Å²	79.7	34%	0.342	39%	0.387	S	S	.	.	S	Bend	trans	-74	-9.4	177.4	-65.7	-1.7	0	0	0	114	P165 L166 N167	N131-P165 VanDerWaalsContact ND2-CG 3.35Å; N131-P165 WeakPolarHBondContact ND2-CG 3.42Å; N131-L166 HydrophobicContact CB-CD2 4.18Å; N131-L166 CarbonylContact O-C 3.47Å; N131-L166 WeakPolarHBondContact O-CA 3.49Å; N131-N167 PolarHBondContact O-N 3.49Å
132	N	97.4	Very high	86.9	Confident	110 Å²	110	78 Å²	78	59%	0.588	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	91.7	174.1	-70.1	-68.4	0	0	0	108.9	N130 N167	N130-N132 PolarHBondContact O-N 2.72Å; N132-N167 WeakPolarHBondContact CA-O 3.23Å; N132-N167 PolarHBondContact OD1-ND2 2.99Å
133	V	98.2	Very high	89.8	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.012	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.4	-178.8	-175.4	0	0	0	0	109	W128 L166 N167 F168 K169 D177 I178	W128-V133 HydrophobicContact CB-CG2 4.04Å; W128-V133 HydrophobicContact CG-CG2 3.84Å; V133-L166 HydrophobicContact CG2-CD2 4.38Å; V133-N167 PolarHBondContact N-O 2.9Å; V133-F168 HydrophobicContact CB-CD1 3.84Å; V133-F168 HydrophobicContact CB-CE1 3.77Å; V133-F168 HydrophobicContact CG1-CD1 4.27Å; V133-F168 HydrophobicContact CG1-CE1 4.13Å; V133-F168 HydrophobicContact CG2-CE1 4.24Å; V133-F168 WeakPolarHBondContact O-CA 3.36Å; V133-K169 PolarHBondContact O-N 3.3Å; V133-D177 HydrophobicContact CG1-CB 3.92Å; V133-I178 HydrophobicContact CG1-CD1 3.8Å; V133-I178 HydrophobicContact CG1-CG1 4.11Å
134	T	98.4	Very high	92.5	Very high	29 Å²	29	68.6 Å²	68.6	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	148	175.9	69.3	0	0	0	0	111.1	K169 L171 A176 D177 I178	T134-K169 CarbonylContact C-O 3.55Å; T134-K169 VanDerWaalsContact CA-O 3.29Å; T134-K169 WeakPolarHBondContact CA-O 3.49Å; T134-K169 HydrophobicContact CG2-CB 4.38Å; T134-L171 HydrophobicContact CG2-CD1 4.38Å; T134-L171 HydrophobicContact CG2-CD2 4.4Å; T134-L171 HydrophobicContact CG2-CG 4.47Å; T134-A176 WeakPolarHBondContact OG1-CA 3.49Å; T134-D177 WeakPolarHBondContact CA-OD2 3.47Å; T134-D177 VanDerWaalsContact CB-OD2 3.26Å; T134-D177 WeakPolarHBondContact CB-OD2 3.3Å; T134-D177 PolarHBondContact N-OD2 2.89Å; T134-D177 PolarHBondContact O-N 3.14Å; T134-D177 VanDerWaalsContact O-N 3.16Å; T134-D177 PolarHBondContact OG1-N 2.69Å; T134-D177 PolarHBondContact OG1-OD2 2.93Å; T134-I178 PolarHBondContact O-N 2.65Å
135	F	98.7	Very high	94.7	Very high	1 Å²	1	67.5 Å²	67.5	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.8	174.3	75.6	-85.7	0	0	0	112.7	I137 I153 L157 F168 K169 K170 L171 I178 I180	F135-I137 HydrophobicContact CD2-CG1 4.49Å; F135-I137 HydrophobicContact CE2-CD1 4.3Å; F135-I137 HydrophobicContact CE2-CG1 4.42Å; F135-I153 HydrophobicContact CD2-CG2 4.13Å; F135-I153 HydrophobicContact CE2-CG2 3.69Å; F135-I153 HydrophobicContact CZ-CG2 4.41Å; F135-L157 HydrophobicContact CB-CD1 4.43Å; F135-L157 HydrophobicContact CD1-CD1 3.31Å; F135-L157 HydrophobicContact CD2-CD1 3.9Å; F135-L157 HydrophobicContact CE1-CD1 3.16Å; F135-L157 HydrophobicContact CE2-CD1 3.8Å; F135-L157 HydrophobicContact CG-CD1 3.64Å; F135-L157 HydrophobicContact CZ-CD1 3.41Å; F135-L157 VanDerWaalsContact CZ-CD1 3.41Å; F135-F168 HydrophobicContact CD1-CB 4.23Å; F135-F168 HydrophobicContact CE1-CB 4.13Å; F135-K169 PolarHBondContact N-O 2.86Å; F135-K170 HydrophobicContact CD1-CB 4.47Å; F135-K170 HydrophobicContact CE1-CB 3.95Å; F135-K170 HydrophobicContact CE2-CB 4.07Å; F135-K170 HydrophobicContact CE2-CD 4.22Å; F135-K170 HydrophobicContact CE2-CG 4.1Å; F135-K170 HydrophobicContact CZ-CB 3.75Å; F135-K170 HydrophobicContact CZ-CD 4.49Å; F135-K170 HydrophobicContact CZ-CG 4.28Å; F135-K170 CarbonylContact O-C 3.56Å; F135-K170 WeakPolarHBondContact O-CA 3.32Å; F135-L171 PolarHBondContact O-N 3.12Å; F135-I178 CarbonylContact C-O 3.58Å; F135-I178 WeakPolarHBondContact CA-O 3.44Å; F135-I178 HydrophobicContact CB-CB 3.96Å; F135-I178 HydrophobicContact CB-CG2 4.18Å; F135-I178 WeakPolarHBondContact CB-O 3.07Å; F135-I180 HydrophobicContact CD2-CD1 3.99Å
136	R	98.6	Very high	96.3	Very high	61 Å²	61	67 Å²	67	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	124.5	178	-177.3	172.7	175.3	-122.8	-15.4	110.9	L171 H172 G174 A176 I178 M179 I180	R136-L171 HydrophobicContact CB-CB 4.43Å; R136-H172 PolarHBondContact NE-O 2.94Å; R136-G174 VanDerWaalsContact CD-O 3.24Å; R136-G174 WeakPolarHBondContact CD-O 3.37Å; R136-G174 PolarHBondContact NH1-O 2.77Å; R136-A176 HydrophobicContact CB-CB 3.85Å; R136-I178 PolarHBondContact N-O 2.85Å; R136-M179 HydrophobicContact CB-SD 3.94Å; R136-I180 PolarHBondContact O-N 2.86Å
137	I	98.7	Very high	97.1	Very high	10 Å²	10	68.6 Å²	68.6	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.3	172.2	-60.8	161.2	0	0	0	107.8	F135 N139 Y140 D150 I153 I180	F135-I137 HydrophobicContact CD2-CG1 4.49Å; F135-I137 HydrophobicContact CE2-CD1 4.3Å; F135-I137 HydrophobicContact CE2-CG1 4.42Å; I137-N139 WeakPolarHBondContact CG2-O 3.48Å; I137-Y140 HydrophobicContact CB-CE1 4.38Å; I137-Y140 HydrophobicContact CB-CE2 4.49Å; I137-Y140 HydrophobicContact CG2-CD1 4.03Å; I137-Y140 HydrophobicContact CG2-CD2 4.19Å; I137-Y140 HydrophobicContact CG2-CE1 3.64Å; I137-Y140 HydrophobicContact CG2-CE2 3.76Å; I137-Y140 HydrophobicContact CG2-CG 4.27Å; I137-Y140 VanDerWaalsContact CG2-CZ 3.44Å; I137-D150 VanDerWaalsContact CD1-OD1 3.23Å; I137-D150 WeakPolarHBondContact CD1-OD1 3.28Å; I137-I153 HydrophobicContact CD1-CB 3.94Å; I137-I153 HydrophobicContact CD1-CG1 3.92Å; I137-I153 HydrophobicContact CD1-CG2 3.97Å; I137-I153 HydrophobicContact CG1-CG1 4.38Å; I137-I153 HydrophobicContact CG1-CG2 4.26Å; I137-I180 WeakPolarHBondContact CA-O 3.22Å; I137-I180 HydrophobicContact CG1-CB 4.13Å; I137-I180 HydrophobicContact CG1-CD1 4.35Å; I137-I180 HydrophobicContact CG1-CG2 4.28Å
138	V	98.1	Very high	97.5	Very high	72 Å²	72	65.1 Å²	65.1	44%	0.436	33%	0.334	S	S	.	.			trans	-81.7	-56.3	-169.9	-178.7	0	0	0	0	110.9	M179 I180	V138-M179 HydrophobicContact CG2-CB 4.24Å; V138-M179 HydrophobicContact CG2-CE 3.86Å; V138-I180 PolarHBondContact N-O 2.85Å
139	N	98.3	Very high	97.7	Very high	59 Å²	59	63.7 Å²	63.7	32%	0.316	33%	0.328	S	S	.	.			trans	-126.3	-178.2	172.4	65	-23.8	0	0	0	110.3	I137 S181 F182	I137-N139 WeakPolarHBondContact CG2-O 3.48Å; N139-S181 WeakPolarHBondContact OD1-CA 3.41Å; N139-S181 WeakPolarHBondContact OD1-CB 3.47Å; N139-F182 PolarHBondContact ND2-O 3.35Å; N139-F182 PolarHBondContact OD1-N 3.05Å
140	Y	98.8	Very high	98	Very high	49 Å²	49	57.4 Å²	57.4	19%	0.192	30%	0.301	C	S	.	.			trans	-149	132.2	-171.7	-62.6	-107.4	0	0	0	108.9	I137 K146 V149 D150 K170	I137-Y140 HydrophobicContact CB-CE1 4.38Å; I137-Y140 HydrophobicContact CB-CE2 4.49Å; I137-Y140 HydrophobicContact CG2-CD1 4.03Å; I137-Y140 HydrophobicContact CG2-CD2 4.19Å; I137-Y140 HydrophobicContact CG2-CE1 3.64Å; I137-Y140 HydrophobicContact CG2-CE2 3.76Å; I137-Y140 HydrophobicContact CG2-CG 4.27Å; I137-Y140 VanDerWaalsContact CG2-CZ 3.44Å; Y140-K146 HydrophobicContact CD1-CB 3.69Å; Y140-K146 HydrophobicContact CD1-CD 4.05Å; Y140-K146 HydrophobicContact CD1-CG 3.73Å; Y140-K146 HydrophobicContact CD2-CD 3.83Å; Y140-K146 HydrophobicContact CD2-CG 4.37Å; Y140-K146 HydrophobicContact CE1-CB 3.94Å; Y140-K146 HydrophobicContact CE1-CD 4.46Å; Y140-K146 HydrophobicContact CE1-CG 4.35Å; Y140-K146 HydrophobicContact CE2-CD 4.3Å; Y140-K146 HydrophobicContact CG-CB 4.26Å; Y140-K146 HydrophobicContact CG-CD 3.75Å; Y140-K146 HydrophobicContact CG-CG 3.77Å; Y140-V149 HydrophobicContact CD1-CB 3.89Å; Y140-V149 HydrophobicContact CD1-CG1 3.76Å; Y140-V149 HydrophobicContact CD1-CG2 4.38Å; Y140-V149 HydrophobicContact CE1-CB 4.43Å; Y140-V149 HydrophobicContact CE1-CG1 4.21Å; Y140-D150 WeakPolarHBondContact CE1-OD1 3.46Å; Y140-D150 PolarHBondContact OH-OD1 2.85Å; Y140-K170 PolarHBondContact OH-NZ 2.8Å; Y140-K170 VanDerWaalsContact OH-NZ 3.08Å
141	T	98.6	Very high	98.3	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	29%	0.293	C	S	.	.			trans	-51	142.9	170	179.3	0	0	0	0	113.6	D143 L144 V149 F182 E218 W222	T141-D143 VanDerWaalsContact C-N 3.35Å; T141-D143 PolarHBondContact OG1-N 2.95Å; T141-L144 HydrophobicContact CG2-CB 4.08Å; T141-L144 HydrophobicContact CG2-CG 4.44Å; T141-V149 HydrophobicContact CG2-CG2 3.82Å; T141-F182 HydrophobicContact CG2-CD1 4.3Å; T141-F182 HydrophobicContact CG2-CE1 3.83Å; T141-F182 HydrophobicContact CG2-CZ 4.11Å; T141-E218 WeakPolarHBondContact CA-OE1 3.47Å; T141-E218 VanDerWaalsContact CA-OE2 3.24Å; T141-E218 WeakPolarHBondContact CA-OE2 3.38Å; T141-E218 WeakPolarHBondContact CB-OE1 3.14Å; T141-E218 PolarHBondContact OG1-OE1 2.84Å; T141-W222 HydrophobicContact CG2-CB 4.21Å; T141-W222 HydrophobicContact CG2-CG 4.46Å
142	P	98.3	Very high	98.4	Very high	112 Å²	112	55.2 Å²	55.2	73%	0.727	28%	0.282	S	S	*	.	S	Bend	trans	-75	-22.3	175.8	31.6	-34.6	0	0	0	113.2	L144 E218	P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 PolarHBondContact O-N 2.93Å; P142-E218 VanDerWaalsContact CD-OE1 3.27Å; P142-E218 WeakPolarHBondContact CD-OE1 3.33Å
143	D	98.5	Very high	98.5	Very high	76 Å²	76	50 Å²	50	41%	0.406	25%	0.254	S	S	.	.	S	Bend	trans	-64.6	-35.2	-177.2	-76.5	-9	0	0	0	112.6	T141 H221 W222	T141-D143 VanDerWaalsContact C-N 3.35Å; T141-D143 PolarHBondContact OG1-N 2.95Å; D143-H221 IonicContact OD1-ND1 2.8Å; D143-H221 IonicContact OD2-CE1 2.77Å; D143-H221 PolarHBondContact OD2-CE1 2.94Å; D143-H221 IonicContact OD2-CG 3.39Å; D143-H221 IonicContact OD2-ND1 2.75Å; D143-H221 PolarHBondContact OD2-ND1 2.6Å; D143-W222 HydrophobicContact CB-CB 4.43Å; D143-W222 PolarHBondContact OD2-N 3.36Å; D143-W222 VanDerWaalsContact OD2-N 3.08Å
144	L	98.4	Very high	98.5	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.063	27%	0.267	C	S	.	.	S	Bend	trans	-112.7	140.3	-177.2	-62.8	-179	0	0	0	111.4	T141 P142 K146 D148 V149 W222 K224 L231	T141-L144 HydrophobicContact CG2-CB 4.08Å; T141-L144 HydrophobicContact CG2-CG 4.44Å; P142-L144 VanDerWaalsContact C-N 3.3Å; P142-L144 PolarHBondContact O-N 2.93Å; L144-K146 PolarHBondContact O-N 2.77Å; L144-D148 HydrophobicContact CB-CB 4.48Å; L144-V149 HydrophobicContact CB-CG2 3.73Å; L144-V149 HydrophobicContact CD1-CG2 4.49Å; L144-W222 HydrophobicContact CD1-CB 4.13Å; L144-W222 WeakPolarHBondContact CD2-O 3.28Å; L144-W222 HydrophobicContact CG-CB 4.39Å; L144-W222 WeakPolarHBondContact CG-O 3.33Å; L144-K224 HydrophobicContact CD1-CG 4.39Å; L144-K224 HydrophobicContact CD2-CD 3.97Å; L144-K224 HydrophobicContact CD2-CG 3.85Å; L144-L231 HydrophobicContact CD1-CB 4.11Å; L144-L231 HydrophobicContact CD1-CD2 3.76Å
145	K	98.6	Very high	98.5	Very high	152 Å²	152	55.8 Å²	55.8	66%	0.661	28%	0.278	S	S	*	.			trans	-57.3	140.3	169.7	-64.2	178.6	-178.7	177.7	0	108.7	S147 D148 V149	K145-S147 PolarHBondContact O-N 2.69Å; K145-D148 HydrophobicContact CB-CB 4.4Å; K145-D148 WeakPolarHBondContact O-CA 3.45Å; K145-D148 VanDerWaalsContact O-CB 3.3Å; K145-D148 WeakPolarHBondContact O-CB 3.23Å; K145-D148 PolarHBondContact O-N 2.76Å; K145-V149 PolarHBondContact O-N 3.44Å; K145-V149 VanDerWaalsContact O-N 3.11Å
146	K	98.4	Very high	98.5	Very high	135 Å²	135	55.7 Å²	55.7	59%	0.587	28%	0.277	S	S	*	.	H	α-helix	trans	-54.5	-31.7	179	-58.3	-163.6	176.3	-165.3	0	113.5	Y140 L144 D148 D150	Y140-K146 HydrophobicContact CD1-CB 3.69Å; Y140-K146 HydrophobicContact CD1-CD 4.05Å; Y140-K146 HydrophobicContact CD1-CG 3.73Å; Y140-K146 HydrophobicContact CD2-CD 3.83Å; Y140-K146 HydrophobicContact CD2-CG 4.37Å; Y140-K146 HydrophobicContact CE1-CB 3.94Å; Y140-K146 HydrophobicContact CE1-CD 4.46Å; Y140-K146 HydrophobicContact CE1-CG 4.35Å; Y140-K146 HydrophobicContact CE2-CD 4.3Å; Y140-K146 HydrophobicContact CG-CB 4.26Å; Y140-K146 HydrophobicContact CG-CD 3.75Å; Y140-K146 HydrophobicContact CG-CG 3.77Å; L144-K146 PolarHBondContact O-N 2.77Å; K146-D148 VanDerWaalsContact C-N 3.29Å; K146-D148 PolarHBondContact O-N 3.42Å; K146-D150 VanDerWaalsContact O-CB 3.31Å; K146-D150 WeakPolarHBondContact O-CB 3.37Å; K146-D150 PolarHBondContact O-N 2.78Å
147	S	98.4	Very high	98.4	Very high	72 Å²	72	52.9 Å²	52.9	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-20.2	173.1	58.1	0	0	0	0	115.1	K145 R151	K145-S147 PolarHBondContact O-N 2.69Å; S147-R151 WeakPolarHBondContact O-CB 3.25Å; S147-R151 PolarHBondContact O-NH1 3.35Å
148	D	98.5	Very high	98.3	Very high	18 Å²	18	55 Å²	55	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-88.3	-43.4	175.9	-69.1	-8.9	0	0	0	110.4	L144 K145 K146 R151 A152 K224	L144-D148 HydrophobicContact CB-CB 4.48Å; K145-D148 HydrophobicContact CB-CB 4.4Å; K145-D148 WeakPolarHBondContact O-CA 3.45Å; K145-D148 VanDerWaalsContact O-CB 3.3Å; K145-D148 WeakPolarHBondContact O-CB 3.23Å; K145-D148 PolarHBondContact O-N 2.76Å; K146-D148 VanDerWaalsContact C-N 3.29Å; K146-D148 PolarHBondContact O-N 3.42Å; D148-R151 PolarHBondContact O-N 3.37Å; D148-R151 VanDerWaalsContact O-N 3.15Å; D148-R151 IonicContact OD1-CZ 3.03Å; D148-R151 VanDerWaalsContact OD1-CZ 3.22Å; D148-R151 IonicContact OD1-NH1 2.71Å; D148-R151 PolarHBondContact OD1-NH1 2.86Å; D148-R151 IonicContact OD1-NH2 2.83Å; D148-R151 PolarHBondContact OD1-NH2 3.23Å; D148-A152 PolarHBondContact O-N 3.28Å; D148-K224 HydrophobicContact CB-CD 3.98Å; D148-K224 WeakPolarHBondContact OD2-CD 3.4Å; D148-K224 IonicContact OD2-NZ 3.74Å; D148-K224 PolarHBondContact OD2-NZ 2.95Å
149	V	98.8	Very high	98.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-50.8	168.4	176.7	0	0	0	0	110.8	Y140 T141 L144 K145 R151 A152 I153 F182 L231	Y140-V149 HydrophobicContact CD1-CB 3.89Å; Y140-V149 HydrophobicContact CD1-CG1 3.76Å; Y140-V149 HydrophobicContact CD1-CG2 4.38Å; Y140-V149 HydrophobicContact CE1-CB 4.43Å; Y140-V149 HydrophobicContact CE1-CG1 4.21Å; T141-V149 HydrophobicContact CG2-CG2 3.82Å; L144-V149 HydrophobicContact CB-CG2 3.73Å; L144-V149 HydrophobicContact CD1-CG2 4.49Å; K145-V149 PolarHBondContact O-N 3.44Å; K145-V149 VanDerWaalsContact O-N 3.11Å; V149-R151 PolarHBondContact O-N 2.87Å; V149-R151 VanDerWaalsContact O-N 3.11Å; V149-A152 PolarHBondContact O-N 3.27Å; V149-A152 VanDerWaalsContact O-N 3.09Å; V149-I153 HydrophobicContact CG1-CG1 4.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.3Å; V149-I153 PolarHBondContact O-N 3.3Å; V149-F182 HydrophobicContact CG1-CE2 4.08Å; V149-F182 HydrophobicContact CG1-CZ 3.97Å; V149-L231 HydrophobicContact CB-CD2 4.34Å; V149-L231 HydrophobicContact CG1-CD2 4.19Å; V149-L231 HydrophobicContact CG2-CD2 4.01Å
150	D	98.6	Very high	98.2	Very high	55 Å²	55	49 Å²	49	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-55.6	-31.9	176.6	-94.1	6.5	0	0	0	113.3	I137 Y140 K146 R154 K170	I137-D150 VanDerWaalsContact CD1-OD1 3.23Å; I137-D150 WeakPolarHBondContact CD1-OD1 3.28Å; Y140-D150 WeakPolarHBondContact CE1-OD1 3.46Å; Y140-D150 PolarHBondContact OH-OD1 2.85Å; K146-D150 VanDerWaalsContact O-CB 3.31Å; K146-D150 WeakPolarHBondContact O-CB 3.37Å; K146-D150 PolarHBondContact O-N 2.78Å; D150-R154 VanDerWaalsContact O-CB 3.28Å; D150-R154 WeakPolarHBondContact O-CB 3.1Å; D150-R154 PolarHBondContact O-N 2.87Å; D150-K170 IonicContact OD1-NZ 2.72Å; D150-K170 PolarHBondContact OD1-NZ 3.42Å; D150-K170 IonicContact OD2-NZ 2.77Å; D150-K170 PolarHBondContact OD2-NZ 3.13Å
151	R	98.5	Very high	98.1	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-82.6	-37.6	178.8	-173.7	172	66.9	-100.1	4.6	111.9	S147 D148 V149 N155	S147-R151 WeakPolarHBondContact O-CB 3.25Å; S147-R151 PolarHBondContact O-NH1 3.35Å; D148-R151 PolarHBondContact O-N 3.37Å; D148-R151 VanDerWaalsContact O-N 3.15Å; D148-R151 IonicContact OD1-CZ 3.03Å; D148-R151 VanDerWaalsContact OD1-CZ 3.22Å; D148-R151 IonicContact OD1-NH1 2.71Å; D148-R151 PolarHBondContact OD1-NH1 2.86Å; D148-R151 IonicContact OD1-NH2 2.83Å; D148-R151 PolarHBondContact OD1-NH2 3.23Å; V149-R151 PolarHBondContact O-N 2.87Å; V149-R151 VanDerWaalsContact O-N 3.11Å; R151-N155 WeakPolarHBondContact O-CB 3.45Å; R151-N155 PolarHBondContact O-N 3.25Å; R151-N155 PolarHBondContact O-ND2 3.15Å
152	A	98.4	Very high	98	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-55.8	173.4	0	0	0	0	0	110.4	D148 V149 R154 N155 A156 L231 F232	D148-A152 PolarHBondContact O-N 3.28Å; V149-A152 PolarHBondContact O-N 3.27Å; V149-A152 VanDerWaalsContact O-N 3.09Å; A152-R154 PolarHBondContact O-N 3.26Å; A152-N155 PolarHBondContact O-N 2.74Å; A152-N155 VanDerWaalsContact O-N 3.13Å; A152-A156 PolarHBondContact O-N 3.17Å; A152-L231 HydrophobicContact CB-CB 4.4Å; A152-L231 HydrophobicContact CB-CD2 4.17Å; A152-L231 HydrophobicContact CB-CG 4.08Å; A152-F232 HydrophobicContact CB-CB 4.13Å
153	I	98.8	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-47	179.5	-60.8	-55	0	0	0	112	F135 I137 V149 N155 A156 L157 I180 F216 A235	F135-I153 HydrophobicContact CD2-CG2 4.13Å; F135-I153 HydrophobicContact CE2-CG2 3.69Å; F135-I153 HydrophobicContact CZ-CG2 4.41Å; I137-I153 HydrophobicContact CD1-CB 3.94Å; I137-I153 HydrophobicContact CD1-CG1 3.92Å; I137-I153 HydrophobicContact CD1-CG2 3.97Å; I137-I153 HydrophobicContact CG1-CG1 4.38Å; I137-I153 HydrophobicContact CG1-CG2 4.26Å; V149-I153 HydrophobicContact CG1-CG1 4.3Å; V149-I153 WeakPolarHBondContact O-CG1 3.3Å; V149-I153 PolarHBondContact O-N 3.3Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 3.42Å; I153-A156 PolarHBondContact O-N 3.04Å; I153-L157 HydrophobicContact CG2-CD1 4.19Å; I153-L157 WeakPolarHBondContact O-CG 3.27Å; I153-L157 PolarHBondContact O-N 2.84Å; I153-I180 HydrophobicContact CD1-CD1 4.48Å; I153-I180 HydrophobicContact CD1-CG2 4.22Å; I153-I180 HydrophobicContact CG2-CD1 3.42Å; I153-I180 VanDerWaalsContact CG2-CD1 3.42Å; I153-F216 HydrophobicContact CD1-CE2 4.11Å; I153-F216 HydrophobicContact CD1-CZ 4.21Å; I153-A235 HydrophobicContact CD1-CB 3.64Å
154	R	98.4	Very high	97.8	Very high	79 Å²	79	39.6 Å²	39.6	30%	0.298	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-34.4	176.8	174.7	151.1	-95	98.6	4.1	112.1	D150 A152 N158 F168	D150-R154 VanDerWaalsContact O-CB 3.28Å; D150-R154 WeakPolarHBondContact O-CB 3.1Å; D150-R154 PolarHBondContact O-N 2.87Å; A152-R154 PolarHBondContact O-N 3.26Å; R154-N158 WeakPolarHBondContact O-CB 3.38Å; R154-N158 PolarHBondContact O-N 3.34Å; R154-N158 PolarHBondContact O-ND2 3.05Å; R154-N158 VanDerWaalsContact O-ND2 3.12Å; R154-F168 PolarHBondContact NH2-O 2.69Å
155	N	97.7	Very high	97.7	Very high	74 Å²	74	40.9 Å²	40.9	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-67.7	-40.4	174.7	-75.6	-8.2	0	0	0	111.9	R151 A152 I153 N158 V159 F232	R151-N155 WeakPolarHBondContact O-CB 3.45Å; R151-N155 PolarHBondContact O-N 3.25Å; R151-N155 PolarHBondContact O-ND2 3.15Å; A152-N155 PolarHBondContact O-N 2.74Å; A152-N155 VanDerWaalsContact O-N 3.13Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 3.42Å; N155-N158 WeakPolarHBondContact O-CB 3.4Å; N155-N158 PolarHBondContact O-N 2.74Å; N155-V159 WeakPolarHBondContact O-CG2 3.21Å; N155-V159 PolarHBondContact O-N 2.79Å; N155-F232 HydrophobicContact CB-CD2 3.67Å; N155-F232 HydrophobicContact CB-CE2 3.73Å
156	A	98.4	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-48.1	174.8	0	0	0	0	0	111.6	A152 I153 N158 V159 F232 A235 A236 L239	A152-A156 PolarHBondContact O-N 3.17Å; I153-A156 PolarHBondContact O-N 3.04Å; A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 3.44Å; A156-V159 WeakPolarHBondContact O-CB 3.37Å; A156-V159 PolarHBondContact O-N 3.31Å; A156-V159 VanDerWaalsContact O-N 3.12Å; A156-F232 HydrophobicContact CB-CD2 4.32Å; A156-A235 HydrophobicContact CB-CB 3.96Å; A156-A236 HydrophobicContact CB-CB 3.96Å; A156-L239 HydrophobicContact CB-CD1 3.83Å
157	L	98.4	Very high	97.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-36.7	173.8	-67.7	170.5	0	0	0	113	F135 I153 V159 W160 A161 F168 L239	F135-L157 HydrophobicContact CB-CD1 4.43Å; F135-L157 HydrophobicContact CD1-CD1 3.31Å; F135-L157 HydrophobicContact CD2-CD1 3.9Å; F135-L157 HydrophobicContact CE1-CD1 3.16Å; F135-L157 HydrophobicContact CE2-CD1 3.8Å; F135-L157 HydrophobicContact CG-CD1 3.64Å; F135-L157 HydrophobicContact CZ-CD1 3.41Å; F135-L157 VanDerWaalsContact CZ-CD1 3.41Å; I153-L157 HydrophobicContact CG2-CD1 4.19Å; I153-L157 WeakPolarHBondContact O-CG 3.27Å; I153-L157 PolarHBondContact O-N 2.84Å; L157-V159 PolarHBondContact O-N 3.09Å; L157-W160 PolarHBondContact O-N 2.84Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.15Å; L157-A161 VanDerWaalsContact O-N 3.07Å; L157-F168 HydrophobicContact CB-CB 4.08Å; L157-F168 HydrophobicContact CB-CD2 3.71Å; L157-F168 HydrophobicContact CB-CE2 4.27Å; L157-F168 HydrophobicContact CB-CG 3.84Å; L157-F168 HydrophobicContact CD1-CB 4.11Å; L157-F168 HydrophobicContact CD1-CG 4.3Å; L157-F168 HydrophobicContact CD2-CD1 3.75Å; L157-F168 HydrophobicContact CD2-CD2 4.27Å; L157-F168 HydrophobicContact CD2-CE1 3.85Å; L157-F168 HydrophobicContact CD2-CE2 4.35Å; L157-F168 HydrophobicContact CD2-CG 3.96Å; L157-F168 HydrophobicContact CD2-CZ 4.16Å; L157-F168 HydrophobicContact CG-CD1 4.48Å; L157-F168 HydrophobicContact CG-CG 4.25Å; L157-F168 WeakPolarHBondContact O-CD2 3.48Å; L157-F168 VanDerWaalsContact O-CE2 3.23Å; L157-F168 WeakPolarHBondContact O-CE2 3.25Å; L157-L239 HydrophobicContact CD2-CB 4.25Å; L157-L239 HydrophobicContact CD2-CD1 3.63Å; L157-L239 HydrophobicContact CD2-CD2 3.97Å; L157-L239 HydrophobicContact CD2-CG 4.17Å; L157-L239 HydrophobicContact CG-CD1 3.7Å
158	N	96.3	Very high	97.6	Very high	56 Å²	56	29.1 Å²	29.1	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-66.5	-23.1	175.5	-72.2	-25.3	0	0	0	113.2	R154 N155 A156 D162	R154-N158 WeakPolarHBondContact O-CB 3.38Å; R154-N158 PolarHBondContact O-N 3.34Å; R154-N158 PolarHBondContact O-ND2 3.05Å; R154-N158 VanDerWaalsContact O-ND2 3.12Å; N155-N158 WeakPolarHBondContact O-CB 3.4Å; N155-N158 PolarHBondContact O-N 2.74Å; A156-N158 VanDerWaalsContact C-N 3.33Å; A156-N158 PolarHBondContact O-N 3.44Å; N158-D162 WeakPolarHBondContact O-CB 3.17Å; N158-D162 VanDerWaalsContact O-CG 3.25Å; N158-D162 PolarHBondContact O-N 3.14Å
159	V	96.2	Very high	97.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-51.5	175.9	164.8	0	0	0	0	109.9	N155 A156 L157 D162 F232 F265 P266 L267	N155-V159 WeakPolarHBondContact O-CG2 3.21Å; N155-V159 PolarHBondContact O-N 2.79Å; A156-V159 WeakPolarHBondContact O-CB 3.37Å; A156-V159 PolarHBondContact O-N 3.31Å; A156-V159 VanDerWaalsContact O-N 3.12Å; L157-V159 PolarHBondContact O-N 3.09Å; V159-D162 PolarHBondContact O-N 3.09Å; V159-F232 HydrophobicContact CG2-CE2 3.89Å; V159-F232 HydrophobicContact CG2-CZ 3.87Å; V159-F265 HydrophobicContact CB-CE2 4.19Å; V159-F265 HydrophobicContact CG1-CD2 4.43Å; V159-F265 HydrophobicContact CG1-CE2 3.74Å; V159-F265 HydrophobicContact CG1-CZ 4.22Å; V159-F265 HydrophobicContact CG2-CD2 4.36Å; V159-F265 HydrophobicContact CG2-CE2 4.19Å; V159-P266 HydrophobicContact CB-CG 4.46Å; V159-P266 HydrophobicContact CG1-CG 3.76Å; V159-P266 HydrophobicContact CG2-CG 3.84Å; V159-L267 HydrophobicContact CG1-CD1 3.85Å; V159-L267 HydrophobicContact CG1-CD2 3.56Å; V159-L267 HydrophobicContact CG1-CG 3.46Å; V159-L267 VanDerWaalsContact CG1-CG 3.46Å
160	W	97.7	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-40.2	177.8	-60.4	115.4	0	0	0	112.5	L157 D162 V163 T164 A236 L243 M245 L254 M255 L267 D271 I275	L157-W160 PolarHBondContact O-N 2.84Å; W160-D162 VanDerWaalsContact C-N 3.27Å; W160-D162 PolarHBondContact O-N 2.92Å; W160-V163 WeakPolarHBondContact O-CG2 3.24Å; W160-V163 PolarHBondContact O-N 3.11Å; W160-T164 PolarHBondContact O-N 2.87Å; W160-T164 VanDerWaalsContact O-N 3.08Å; W160-T164 PolarHBondContact O-OG1 3.15Å; W160-A236 WeakPolarHBondContact CZ2-O 3.41Å; W160-A236 PolarHBondContact NE1-O 2.87Å; W160-L243 HydrophobicContact CB-CD1 3.69Å; W160-L243 HydrophobicContact CD2-CD1 4.36Å; W160-L243 HydrophobicContact CG-CD1 3.69Å; W160-M245 HydrophobicContact CH2-CE 4.42Å; W160-M245 HydrophobicContact CH2-CG 4.33Å; W160-M245 HydrophobicContact CZ3-CE 4.48Å; W160-L254 HydrophobicContact CH2-CD2 4.42Å; W160-L254 HydrophobicContact CZ2-CD2 3.87Å; W160-M255 HydrophobicContact CH2-CG 4.13Å; W160-M255 HydrophobicContact CH2-SD 4.01Å; W160-M255 HydrophobicContact CZ2-SD 3.84Å; W160-L267 HydrophobicContact CD2-CD2 4.47Å; W160-L267 HydrophobicContact CE3-CD1 3.98Å; W160-L267 HydrophobicContact CE3-CD2 4.09Å; W160-L267 HydrophobicContact CH2-CD2 3.61Å; W160-L267 HydrophobicContact CZ2-CD2 4Å; W160-L267 HydrophobicContact CZ3-CD1 4Å; W160-L267 HydrophobicContact CZ3-CD2 3.66Å; W160-L267 HydrophobicContact CZ3-CG 4.5Å; W160-D271 HydrophobicContact CH2-CB 4.12Å; W160-D271 HydrophobicContact CZ3-CB 4.16Å; W160-I275 HydrophobicContact CE3-CB 3.94Å; W160-I275 HydrophobicContact CE3-CD1 4.11Å; W160-I275 HydrophobicContact CE3-CG1 3.76Å; W160-I275 HydrophobicContact CE3-CG2 3.96Å; W160-I275 HydrophobicContact CZ3-CB 3.86Å; W160-I275 HydrophobicContact CZ3-CD1 4.36Å; W160-I275 HydrophobicContact CZ3-CG1 4.13Å; W160-I275 HydrophobicContact CZ3-CG2 4.01Å
161	A	96.8	Very high	97.6	Very high	16 Å²	16	35 Å²	35	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-25.4	176.2	0	0	0	0	0	113.8	L157 V163 T164 L166 F168 N282	L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.15Å; L157-A161 VanDerWaalsContact O-N 3.07Å; A161-V163 PolarHBondContact O-N 3.27Å; A161-T164 VanDerWaalsContact O-O 3.04Å; A161-L166 WeakPolarHBondContact CB-O 3.39Å; A161-F168 HydrophobicContact CB-CD2 3.94Å; A161-F168 HydrophobicContact CB-CE2 3.91Å; A161-N282 PolarHBondContact O-ND2 3.18Å
162	D	95.6	Very high	97.4	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.2	178.2	-85.7	-18	0	0	0	113.7	N158 V159 W160 R286 R288	N158-D162 WeakPolarHBondContact O-CB 3.17Å; N158-D162 VanDerWaalsContact O-CG 3.25Å; N158-D162 PolarHBondContact O-N 3.14Å; V159-D162 PolarHBondContact O-N 3.09Å; W160-D162 VanDerWaalsContact C-N 3.27Å; W160-D162 PolarHBondContact O-N 2.92Å; D162-R286 VanDerWaalsContact CG-NH1 3.32Å; D162-R286 VanDerWaalsContact OD1-CD 3.24Å; D162-R286 WeakPolarHBondContact OD1-CD 3.16Å; D162-R286 IonicContact OD1-CZ 2.8Å; D162-R286 IonicContact OD1-NE 2.91Å; D162-R286 PolarHBondContact OD1-NE 3.04Å; D162-R286 IonicContact OD1-NH1 3.82Å; D162-R286 PolarHBondContact OD1-NH1 2.56Å; D162-R286 IonicContact OD2-NH1 2.65Å; D162-R286 PolarHBondContact OD2-NH1 3.12Å; D162-R286 VanDerWaalsContact OD2-NH1 3.14Å; D162-R288 IonicContact OD2-CZ 2.65Å; D162-R288 IonicContact OD2-NE 3.83Å; D162-R288 PolarHBondContact OD2-NE 3.4Å; D162-R288 IonicContact OD2-NH2 2.85Å; D162-R288 PolarHBondContact OD2-NH2 3.26Å
163	V	96.1	Very high	97.3	Very high	15 Å²	15	41.9 Å²	41.9	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-10.4	-179.8	-61.6	0	0	0	0	114.7	W160 A161 F265 L267 I272 I275 Q276 N282	W160-V163 WeakPolarHBondContact O-CG2 3.24Å; W160-V163 PolarHBondContact O-N 3.11Å; A161-V163 PolarHBondContact O-N 3.27Å; V163-F265 HydrophobicContact CG1-CE1 4.37Å; V163-F265 HydrophobicContact CG1-CZ 3.92Å; V163-L267 HydrophobicContact CG1-CD1 4.33Å; V163-L267 HydrophobicContact CG2-CD1 3.66Å; V163-I272 HydrophobicContact CB-CG2 4.5Å; V163-I272 HydrophobicContact CG1-CD1 4.32Å; V163-I272 HydrophobicContact CG1-CG1 4.22Å; V163-I275 HydrophobicContact CG2-CG2 3.94Å; V163-Q276 PolarHBondContact O-NE2 3.41Å; V163-N282 PolarHBondContact O-N 3.04Å
164	T	96.8	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-118.6	170.8	176.2	60.7	0	0	0	0	112.2	W160 A161 L166 I275 N282	W160-T164 PolarHBondContact O-N 2.87Å; W160-T164 VanDerWaalsContact O-N 3.08Å; W160-T164 PolarHBondContact O-OG1 3.15Å; A161-T164 VanDerWaalsContact O-O 3.04Å; T164-L166 HydrophobicContact CG2-CD1 4.41Å; T164-L166 PolarHBondContact O-N 3.07Å; T164-L166 VanDerWaalsContact OG1-CB 3.29Å; T164-L166 WeakPolarHBondContact OG1-CB 3.46Å; T164-L166 WeakPolarHBondContact OG1-CG 3Å; T164-L166 PolarHBondContact OG1-N 2.73Å; T164-I275 HydrophobicContact CG2-CB 4.25Å; T164-I275 HydrophobicContact CG2-CG1 3.58Å; T164-I275 HydrophobicContact CG2-CG2 3.76Å; T164-N282 WeakPolarHBondContact O-CA 3.11Å; T164-N282 WeakPolarHBondContact O-CB 3.17Å; T164-N282 VanDerWaalsContact O-CG 3.29Å; T164-N282 PolarHBondContact O-ND2 3.28Å; T164-N282 VanDerWaalsContact O-ND2 3.11Å
165	P	97.1	Very high	97.2	Very high	40 Å²	40	47 Å²	47	26%	0.26	25%	0.253	S	S	.	.	S	Bend	trans	-78	13.2	166.4	33.5	-38.3	0	0	0	114.2	N131 Y279 G280	N131-P165 VanDerWaalsContact ND2-CG 3.35Å; N131-P165 WeakPolarHBondContact ND2-CG 3.42Å; P165-Y279 WeakPolarHBondContact CD-O 3.42Å; P165-Y279 WeakPolarHBondContact CG-O 3.32Å; P165-G280 WeakPolarHBondContact CD-O 3.49Å
166	L	97.5	Very high	97.2	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	24%	0.241	C	C	.	.			trans	-72.2	148.3	-178.8	-64.8	176.3	0	0	0	112.8	N131 V133 A161 T164 F168 L243 Y279	N131-L166 HydrophobicContact CB-CD2 4.18Å; N131-L166 CarbonylContact O-C 3.47Å; N131-L166 WeakPolarHBondContact O-CA 3.49Å; V133-L166 HydrophobicContact CG2-CD2 4.38Å; A161-L166 WeakPolarHBondContact CB-O 3.39Å; T164-L166 HydrophobicContact CG2-CD1 4.41Å; T164-L166 PolarHBondContact O-N 3.07Å; T164-L166 VanDerWaalsContact OG1-CB 3.29Å; T164-L166 WeakPolarHBondContact OG1-CB 3.46Å; T164-L166 WeakPolarHBondContact OG1-CG 3Å; T164-L166 PolarHBondContact OG1-N 2.73Å; L166-F168 HydrophobicContact CB-CE2 3.89Å; L166-F168 HydrophobicContact CB-CZ 3.85Å; L166-F168 HydrophobicContact CD1-CZ 3.87Å; L166-F168 HydrophobicContact CG-CZ 4.46Å; L166-L243 HydrophobicContact CD1-CD1 3.87Å; L166-L243 HydrophobicContact CD1-CD2 3.69Å; L166-L243 HydrophobicContact CD1-CG 4.35Å; L166-Y279 HydrophobicContact CD1-CD1 4.33Å; L166-Y279 HydrophobicContact CD1-CD2 3.94Å; L166-Y279 HydrophobicContact CD1-CE1 4.43Å; L166-Y279 HydrophobicContact CD1-CE2 4.07Å; L166-Y279 HydrophobicContact CD1-CG 4.07Å; L166-Y279 HydrophobicContact CD2-CD1 3.57Å; L166-Y279 HydrophobicContact CD2-CE1 3.78Å; L166-Y279 HydrophobicContact CD2-CG 4.03Å; L166-Y279 HydrophobicContact CG-CD1 4.17Å; L166-Y279 HydrophobicContact CG-CD2 4.48Å; L166-Y279 HydrophobicContact CG-CG 4.11Å
167	N	97.3	Very high	97.2	Very high	89 Å²	89	47.2 Å²	47.2	48%	0.476	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.7	-179.4	174.2	38.8	0	0	0	110.8	N131 N132 V133	N131-N167 PolarHBondContact O-N 3.49Å; N132-N167 WeakPolarHBondContact CA-O 3.23Å; N132-N167 PolarHBondContact OD1-ND2 2.99Å; V133-N167 PolarHBondContact N-O 2.9Å
168	F	98.3	Very high	97.2	Very high	13 Å²	13	47.1 Å²	47.1	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111	-168.7	-63.4	-72.2	0	0	0	114	V133 F135 R154 L157 A161 L166 L243	V133-F168 HydrophobicContact CB-CD1 3.84Å; V133-F168 HydrophobicContact CB-CE1 3.77Å; V133-F168 HydrophobicContact CG1-CD1 4.27Å; V133-F168 HydrophobicContact CG1-CE1 4.13Å; V133-F168 HydrophobicContact CG2-CE1 4.24Å; V133-F168 WeakPolarHBondContact O-CA 3.36Å; F135-F168 HydrophobicContact CD1-CB 4.23Å; F135-F168 HydrophobicContact CE1-CB 4.13Å; R154-F168 PolarHBondContact NH2-O 2.69Å; L157-F168 HydrophobicContact CB-CB 4.08Å; L157-F168 HydrophobicContact CB-CD2 3.71Å; L157-F168 HydrophobicContact CB-CE2 4.27Å; L157-F168 HydrophobicContact CB-CG 3.84Å; L157-F168 HydrophobicContact CD1-CB 4.11Å; L157-F168 HydrophobicContact CD1-CG 4.3Å; L157-F168 HydrophobicContact CD2-CD1 3.75Å; L157-F168 HydrophobicContact CD2-CD2 4.27Å; L157-F168 HydrophobicContact CD2-CE1 3.85Å; L157-F168 HydrophobicContact CD2-CE2 4.35Å; L157-F168 HydrophobicContact CD2-CG 3.96Å; L157-F168 HydrophobicContact CD2-CZ 4.16Å; L157-F168 HydrophobicContact CG-CD1 4.48Å; L157-F168 HydrophobicContact CG-CG 4.25Å; L157-F168 WeakPolarHBondContact O-CD2 3.48Å; L157-F168 VanDerWaalsContact O-CE2 3.23Å; L157-F168 WeakPolarHBondContact O-CE2 3.25Å; A161-F168 HydrophobicContact CB-CD2 3.94Å; A161-F168 HydrophobicContact CB-CE2 3.91Å; L166-F168 HydrophobicContact CB-CE2 3.89Å; L166-F168 HydrophobicContact CB-CZ 3.85Å; L166-F168 HydrophobicContact CD1-CZ 3.87Å; L166-F168 HydrophobicContact CG-CZ 4.46Å; F168-L243 HydrophobicContact CE1-CD2 3.96Å; F168-L243 HydrophobicContact CZ-CD1 3.84Å; F168-L243 HydrophobicContact CZ-CD2 3.92Å; F168-L243 HydrophobicContact CZ-CG 4.43Å
169	K	98.2	Very high	97.3	Very high	131 Å²	131	45.8 Å²	45.8	57%	0.57	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.4	179.9	-176.5	-174.8	175.5	-167.7	0	111.1	V133 T134 F135 L171	V133-K169 PolarHBondContact O-N 3.3Å; T134-K169 CarbonylContact C-O 3.55Å; T134-K169 VanDerWaalsContact CA-O 3.29Å; T134-K169 WeakPolarHBondContact CA-O 3.49Å; T134-K169 HydrophobicContact CG2-CB 4.38Å; F135-K169 PolarHBondContact N-O 2.86Å; K169-L171 HydrophobicContact CD-CD2 4.28Å; K169-L171 HydrophobicContact CG-CD2 4.44Å
170	K	98.3	Very high	97.4	Very high	31 Å²	31	45.6 Å²	45.6	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	133	171.5	-177	170	178.4	179.2	0	109.7	F135 Y140 D150	F135-K170 HydrophobicContact CD1-CB 4.47Å; F135-K170 HydrophobicContact CE1-CB 3.95Å; F135-K170 HydrophobicContact CE2-CB 4.07Å; F135-K170 HydrophobicContact CE2-CD 4.22Å; F135-K170 HydrophobicContact CE2-CG 4.1Å; F135-K170 HydrophobicContact CZ-CB 3.75Å; F135-K170 HydrophobicContact CZ-CD 4.49Å; F135-K170 HydrophobicContact CZ-CG 4.28Å; F135-K170 CarbonylContact O-C 3.56Å; F135-K170 WeakPolarHBondContact O-CA 3.32Å; Y140-K170 PolarHBondContact OH-NZ 2.8Å; Y140-K170 VanDerWaalsContact OH-NZ 3.08Å; D150-K170 IonicContact OD1-NZ 2.72Å; D150-K170 PolarHBondContact OD1-NZ 3.42Å; D150-K170 IonicContact OD2-NZ 2.77Å; D150-K170 PolarHBondContact OD2-NZ 3.13Å
171	L	98.3	Very high	97.4	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.188	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-100.8	160.3	165.2	-53.6	-175.1	0	0	0	110	T134 F135 R136 K169 A176	T134-L171 HydrophobicContact CG2-CD1 4.38Å; T134-L171 HydrophobicContact CG2-CD2 4.4Å; T134-L171 HydrophobicContact CG2-CG 4.47Å; F135-L171 PolarHBondContact O-N 3.12Å; R136-L171 HydrophobicContact CB-CB 4.43Å; K169-L171 HydrophobicContact CD-CD2 4.28Å; K169-L171 HydrophobicContact CG-CD2 4.44Å; L171-A176 HydrophobicContact CD1-CB 3.96Å; L171-A176 HydrophobicContact CG-CB 4.44Å
172	H	95.6	Very high	97.5	Very high	151 Å²	151	46.2 Å²	46.2	70%	0.699	25%	0.25	S	S	*	.	S	Bend	trans	-113.9	-34.4	179.7	-67.7	-85	0	0	0	111.6	R136	R136-H172 PolarHBondContact NE-O 2.94Å
173	D	95.9	Very high	97.6	Very high	124 Å²	124	46.4 Å²	46.4	66%	0.663	26%	0.255	S	S	*	.	S	Bend	trans	-122	179.8	174	51.3	9.9	0	0	0	110.9
174	G	96.6	Very high	97.7	Very high	45 Å²	45	49.2 Å²	49.2	46%	0.464	27%	0.272	S	S	.	.	S	Bend	trans	67.1	-169	-179.5	0	0	0	0	0	114.5	R136	R136-G174 VanDerWaalsContact CD-O 3.24Å; R136-G174 WeakPolarHBondContact CD-O 3.37Å; R136-G174 PolarHBondContact NH1-O 2.77Å
175	N	97.3	Very high	97.6	Very high	140 Å²	140	50.2 Å²	50.2	75%	0.749	28%	0.282	S	S	*	.			trans	-97.3	148.1	168.7	-65.2	17	0	0	0	108.5
176	A	98	Very high	97.6	Very high	18 Å²	18	53.3 Å²	53.3	15%	0.149	29%	0.293	C	S	.	.			trans	-112.1	177.3	173.1	0	0	0	0	0	109.9	T134 R136 L171 I178 M179	T134-A176 WeakPolarHBondContact OG1-CA 3.49Å; R136-A176 HydrophobicContact CB-CB 3.85Å; L171-A176 HydrophobicContact CD1-CB 3.96Å; L171-A176 HydrophobicContact CG-CB 4.44Å; A176-I178 VanDerWaalsContact C-N 3.28Å; A176-M179 HydrophobicContact CB-SD 4.06Å; A176-M179 PolarHBondContact N-SD 3.49Å
177	D	98.1	Very high	97.5	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	30%	0.301	S	S	.	.	S	Bend	trans	-75.6	-20.9	171.9	-47.2	-76.1	0	0	0	111.8	W128 V133 T134	W128-D177 HydrophobicContact CE3-CB 4.4Å; W128-D177 HydrophobicContact CH2-CB 3.93Å; W128-D177 WeakPolarHBondContact CH2-O 3.36Å; W128-D177 HydrophobicContact CZ2-CB 4.21Å; W128-D177 WeakPolarHBondContact CZ2-O 3.47Å; W128-D177 HydrophobicContact CZ3-CB 4.04Å; V133-D177 HydrophobicContact CG1-CB 3.92Å; T134-D177 WeakPolarHBondContact CA-OD2 3.47Å; T134-D177 VanDerWaalsContact CB-OD2 3.26Å; T134-D177 WeakPolarHBondContact CB-OD2 3.3Å; T134-D177 PolarHBondContact N-OD2 2.89Å; T134-D177 PolarHBondContact O-N 3.14Å; T134-D177 VanDerWaalsContact O-N 3.16Å; T134-D177 PolarHBondContact OG1-N 2.69Å; T134-D177 PolarHBondContact OG1-OD2 2.93Å
178	I	98.6	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	104.7	175.7	-65.6	177.2	0	0	0	108.5	W128 V133 T134 F135 R136 A176 I180 G212 L239 A242	W128-I178 HydrophobicContact CZ2-CG1 4.21Å; V133-I178 HydrophobicContact CG1-CD1 3.8Å; V133-I178 HydrophobicContact CG1-CG1 4.11Å; T134-I178 PolarHBondContact O-N 2.65Å; F135-I178 CarbonylContact C-O 3.58Å; F135-I178 WeakPolarHBondContact CA-O 3.44Å; F135-I178 HydrophobicContact CB-CB 3.96Å; F135-I178 HydrophobicContact CB-CG2 4.18Å; F135-I178 WeakPolarHBondContact CB-O 3.07Å; R136-I178 PolarHBondContact N-O 2.85Å; A176-I178 VanDerWaalsContact C-N 3.28Å; I178-I180 HydrophobicContact CG2-CD1 4.12Å; I178-I180 HydrophobicContact CG2-CG1 3.83Å; I178-G212 WeakPolarHBondContact CG2-O 3.46Å; I178-L239 HydrophobicContact CD1-CD2 4.38Å; I178-L239 HydrophobicContact CG2-CD2 3.81Å; I178-A242 HydrophobicContact CD1-CB 3.93Å; I178-A242 HydrophobicContact CG1-CB 4.29Å
179	M	98.6	Very high	96.9	Very high	28 Å²	28	54.1 Å²	54.1	14%	0.138	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132	170	-52.4	-75	-81.1	0	0	109.3	R136 V138 A176 D213 T214	R136-M179 HydrophobicContact CB-SD 3.94Å; V138-M179 HydrophobicContact CG2-CB 4.24Å; V138-M179 HydrophobicContact CG2-CE 3.86Å; A176-M179 HydrophobicContact CB-SD 4.06Å; A176-M179 PolarHBondContact N-SD 3.49Å; M179-D213 WeakPolarHBondContact CA-OD1 3.4Å; M179-D213 HydrophobicContact CB-CB 4.41Å; M179-D213 WeakPolarHBondContact CB-OD1 3.2Å; M179-D213 VanDerWaalsContact CG-OD1 3.29Å; M179-D213 WeakPolarHBondContact CG-OD1 3.35Å; M179-D213 PolarHBondContact N-OD1 2.98Å; M179-D213 CarbonylContact O-C 3.59Å; M179-D213 VanDerWaalsContact O-CA 3.31Å; M179-D213 WeakPolarHBondContact O-CA 3.3Å; M179-T214 PolarHBondContact O-N 2.97Å
180	I	98.9	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.9	-175.4	-62.2	175.6	0	0	0	108.6	F135 R136 I137 V138 I153 I178 T214 F216 L239	F135-I180 HydrophobicContact CD2-CD1 3.99Å; R136-I180 PolarHBondContact O-N 2.86Å; I137-I180 WeakPolarHBondContact CA-O 3.22Å; I137-I180 HydrophobicContact CG1-CB 4.13Å; I137-I180 HydrophobicContact CG1-CD1 4.35Å; I137-I180 HydrophobicContact CG1-CG2 4.28Å; V138-I180 PolarHBondContact N-O 2.85Å; I153-I180 HydrophobicContact CD1-CD1 4.48Å; I153-I180 HydrophobicContact CD1-CG2 4.22Å; I153-I180 HydrophobicContact CG2-CD1 3.42Å; I153-I180 VanDerWaalsContact CG2-CD1 3.42Å; I178-I180 HydrophobicContact CG2-CD1 4.12Å; I178-I180 HydrophobicContact CG2-CG1 3.83Å; I180-T214 WeakPolarHBondContact CA-O 3.15Å; I180-F216 HydrophobicContact CG2-CD2 4.33Å; I180-F216 HydrophobicContact CG2-CE2 3.82Å; I180-L239 HydrophobicContact CD1-CD2 4.28Å
181	S	98.4	Very high	96.1	Very high	23 Å²	23	59 Å²	59	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164.4	179.8	83.8	0	0	0	0	113	N139 T214 H215 F216	N139-S181 WeakPolarHBondContact OD1-CA 3.41Å; N139-S181 WeakPolarHBondContact OD1-CB 3.47Å; S181-T214 PolarHBondContact N-O 3.13Å; S181-H215 WeakPolarHBondContact O-CA 3.39Å; S181-H215 PolarHBondContact OG-CD2 2.96Å; S181-F216 PolarHBondContact O-N 2.84Å
182	F	98.8	Very high	95.9	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.6	172.9	-61	-102.3	0	0	0	107.9	N139 T141 V149 F216 E218 L231	N139-F182 PolarHBondContact ND2-O 3.35Å; N139-F182 PolarHBondContact OD1-N 3.05Å; T141-F182 HydrophobicContact CG2-CD1 4.3Å; T141-F182 HydrophobicContact CG2-CE1 3.83Å; T141-F182 HydrophobicContact CG2-CZ 4.11Å; V149-F182 HydrophobicContact CG1-CE2 4.08Å; V149-F182 HydrophobicContact CG1-CZ 3.97Å; F182-F216 CarbonylContact C-O 3.56Å; F182-F216 VanDerWaalsContact CA-O 3.3Å; F182-F216 WeakPolarHBondContact CA-O 3.43Å; F182-F216 HydrophobicContact CD1-CB 3.66Å; F182-F216 HydrophobicContact CD1-CD2 4.44Å; F182-F216 HydrophobicContact CD1-CG 4.33Å; F182-F216 HydrophobicContact CE1-CB 3.9Å; F182-F216 HydrophobicContact CE1-CD2 4.14Å; F182-F216 HydrophobicContact CE1-CG 4.12Å; F182-F216 HydrophobicContact CG-CB 4.35Å; F182-F216 HydrophobicContact CZ-CD2 4.23Å; F182-E218 HydrophobicContact CB-CB 4.26Å; F182-E218 HydrophobicContact CB-CG 4.5Å; F182-E218 WeakPolarHBondContact CB-OE2 3.37Å; F182-L231 HydrophobicContact CE1-CD1 3.94Å; F182-L231 HydrophobicContact CE1-CD2 4.3Å; F182-L231 HydrophobicContact CZ-CD1 4.11Å; F182-L231 HydrophobicContact CZ-CD2 4.03Å
183	G	97.5	Very high	96	Very high	14 Å²	14	53.8 Å²	53.8	14%	0.144	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	159.1	-177.9	0	0	0	0	0	113.1	F193 F216 D217 E218	G183-F193 WeakPolarHBondContact O-CD2 3.12Å; G183-F193 WeakPolarHBondContact O-CE2 3.45Å; G183-F216 PolarHBondContact N-O 3.4Å; G183-D217 CarbonylContact O-C 3.54Å; G183-D217 WeakPolarHBondContact O-CA 3.46Å; G183-D217 VanDerWaalsContact O-OD1 3.06Å; G183-E218 PolarHBondContact O-N 2.91Å
184	T	96.9	Very high	95.9	Very high	73 Å²	73	51.4 Å²	51.4	45%	0.448	30%	0.3	S	S	.	.			trans	-110.7	131.8	-177.9	55.1	0	0	0	0	110.5	E186 E218 D219	T184-E186 PolarHBondContact O-N 3.12Å; T184-E218 HydrophobicContact CG2-CB 3.88Å; T184-D219 WeakPolarHBondContact CB-OD2 3.24Å; T184-D219 WeakPolarHBondContact CG2-OD2 3.39Å
185	G	95.9	Very high	95.7	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	28%	0.281	C	S	.	.	S	Bend	trans	56.3	-131.4	177.3	0	0	0	0	0	113.6	H187 P192 F193	G185-H187 PolarHBondContact O-N 3.2Å; G185-H187 PolarHBondContact O-ND1 3.03Å; G185-P192 VanDerWaalsContact O-CA 3.32Å; G185-P192 WeakPolarHBondContact O-CA 3.08Å; G185-F193 PolarHBondContact O-N 3.27Å
186	E	95.9	Very high	95.6	Very high	106 Å²	106	47.3 Å²	47.3	50%	0.495	27%	0.274	S	S	.	.			trans	-69.8	110.7	173.3	173.7	57.4	-108.5	0	0	111	T184 G188 P192	T184-E186 PolarHBondContact O-N 3.12Å; E186-G188 WeakPolarHBondContact OE1-CA 3.2Å; E186-G188 PolarHBondContact OE1-N 2.67Å; E186-P192 HydrophobicContact CB-CB 4.14Å
187	H	95.9	Very high	95.3	Very high	47 Å²	47	51.6 Å²	51.6	22%	0.218	29%	0.294	C	S	.	.			trans	-117.7	10.2	-172.2	56.1	-81.1	0	0	0	114.4	G185 D189 N191 F193 H202 H215	G185-H187 PolarHBondContact O-N 3.2Å; G185-H187 PolarHBondContact O-ND1 3.03Å; H187-D189 IonicContact CD2-OD2 3.64Å; H187-D189 IonicContact CE1-OD1 3.93Å; H187-D189 IonicContact CE1-OD2 3.65Å; H187-D189 IonicContact NE2-OD1 2.76Å; H187-D189 IonicContact NE2-OD2 3.93Å; H187-D189 PolarHBondContact NE2-OD2 3.31Å; H187-D189 VanDerWaalsContact NE2-OD2 3.13Å; H187-N191 PolarHBondContact CE1-O 3.39Å; H187-F193 AromaticContact CE1-CD2 3.35Å; H187-F193 WeakPolarHBondContact CE1-CD2 3.35Å; H187-F193 AromaticContact CE1-CE2 3.09Å; H187-F193 WeakPolarHBondContact CE1-CE2 3.21Å; H187-F193 AromaticContact CE1-CZ 3.66Å; H187-F193 AromaticContact CG-CE2 4Å; H187-F193 AromaticContact ND1-CD2 3.33Å; H187-F193 VanDerWaalsContact ND1-CD2 3.33Å; H187-F193 WeakPolarHBondContact ND1-CD2 3.03Å; H187-F193 AromaticContact ND1-CE2 3.41Å; H187-F193 WeakPolarHBondContact ND1-CE2 3.32Å; H187-F193 AromaticContact NE2-CE2 3.5Å; H187-F193 AromaticContact NE2-CZ 3.9Å; H187-H202 AromaticContact CE1-CE1 3.61Å; H187-H202 AromaticContact CE1-NE2 3.86Å; H187-H202 AromaticContact NE2-CE1 3.69Å; H187-H202 AromaticContact NE2-NE2 3.46Å; H187-H202 PolarHBondContact NE2-NE2 3.06Å; H187-H215 AromaticContact CD2-CE1 3.99Å; H187-H215 AromaticContact CD2-CG 3.76Å; H187-H215 AromaticContact CD2-ND1 3.29Å; H187-H215 PolarHBondContact CD2-ND1 3.16Å; H187-H215 VanDerWaalsContact CD2-ND1 3.29Å; H187-H215 WeakPolarHBondContact NE2-CB 3.44Å; H187-H215 AromaticContact NE2-CG 3.53Å; H187-H215 AromaticContact NE2-ND1 3.05Å; H187-H215 PolarHBondContact NE2-ND1 2.87Å
188	G	91.7	Very high	95.1	Very high	65 Å²	65	49.7 Å²	49.7	67%	0.67	29%	0.289	S	S	*	.	S	Bend	trans	109.4	7.1	166.2	0	0	0	0	0	116	E186	E186-G188 WeakPolarHBondContact OE1-CA 3.2Å; E186-G188 PolarHBondContact OE1-N 2.67Å
189	D	90.8	Very high	94.9	Very high	15 Å²	15	49.9 Å²	49.9	8%	0.08	29%	0.29	C	S	.	.	S	Bend	trans	-114.1	1.1	179.3	70.1	0.5	0	0	0	113.8	H187 N191 H202 Y204 I210 H215	H187-D189 IonicContact CD2-OD2 3.64Å; H187-D189 IonicContact CE1-OD1 3.93Å; H187-D189 IonicContact CE1-OD2 3.65Å; H187-D189 IonicContact NE2-OD1 2.76Å; H187-D189 IonicContact NE2-OD2 3.93Å; H187-D189 PolarHBondContact NE2-OD2 3.31Å; H187-D189 VanDerWaalsContact NE2-OD2 3.13Å; D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.96Å; D189-N191 PolarHBondContact OD1-N 3.38Å; D189-H202 IonicContact OD2-CD2 2.57Å; D189-H202 IonicContact OD2-CE1 2.62Å; D189-H202 IonicContact OD2-NE2 3.75Å; D189-H202 PolarHBondContact OD2-NE2 2.84Å; D189-Y204 HydrophobicContact CB-CE2 4.23Å; D189-Y204 WeakPolarHBondContact CB-OH 3.34Å; D189-Y204 VanDerWaalsContact CG-OH 3.31Å; D189-Y204 PolarHBondContact O-OH 2.79Å; D189-Y204 PolarHBondContact OD2-OH 2.87Å; D189-I210 HydrophobicContact CB-CD1 3.59Å; D189-H215 IonicContact OD2-CE1 2.6Å; D189-H215 PolarHBondContact OD2-CE1 3.42Å; D189-H215 IonicContact OD2-ND1 2.98Å; D189-H215 PolarHBondContact OD2-ND1 3.4Å
190	Y	89.6	Confident	94.9	Very high	200 Å²	200	48.7 Å²	48.7	78%	0.784	28%	0.284	S	S	*	.	S	Bend	trans	69.2	9.1	-175.1	-49.1	-80.1	0	0	0	116	P192	Y190-P192 VanDerWaalsContact C-CD 3.47Å; Y190-P192 VanDerWaalsContact O-CD 3.23Å; Y190-P192 WeakPolarHBondContact O-CD 3.44Å
191	N	91	Very high	94.8	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.353	28%	0.284	S	S	.	.			trans	-110.2	78	171.8	-74.2	-27.8	0	0	0	109.4	H187 D189 F193 H202 Y204	H187-N191 PolarHBondContact CE1-O 3.39Å; D189-N191 VanDerWaalsContact C-N 3.27Å; D189-N191 PolarHBondContact O-N 2.96Å; D189-N191 PolarHBondContact OD1-N 3.38Å; N191-F193 PolarHBondContact O-N 3.34Å; N191-H202 PolarHBondContact O-CE1 2.88Å; N191-Y204 PolarHBondContact ND2-OH 3.11Å
192	P	94.8	Very high	94.8	Very high	66 Å²	66	48 Å²	48	43%	0.429	28%	0.278	S	S	.	.			trans	-65.5	135.6	-177.1	26.8	-35.5	0	0	0	112.5	G185 E186 Y190	G185-P192 VanDerWaalsContact O-CA 3.32Å; G185-P192 WeakPolarHBondContact O-CA 3.08Å; E186-P192 HydrophobicContact CB-CB 4.14Å; Y190-P192 VanDerWaalsContact C-CD 3.47Å; Y190-P192 VanDerWaalsContact O-CD 3.23Å; Y190-P192 WeakPolarHBondContact O-CD 3.44Å
193	F	96.6	Very high	94.7	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.044	28%	0.279	C	S	.	.			trans	-62	160.9	164.6	-65.9	-67.6	0	0	0	111.4	G183 G185 H187 N191 L199 H215 F216 D217	G183-F193 WeakPolarHBondContact O-CD2 3.12Å; G183-F193 WeakPolarHBondContact O-CE2 3.45Å; G185-F193 PolarHBondContact O-N 3.27Å; H187-F193 AromaticContact CE1-CD2 3.35Å; H187-F193 WeakPolarHBondContact CE1-CD2 3.35Å; H187-F193 AromaticContact CE1-CE2 3.09Å; H187-F193 WeakPolarHBondContact CE1-CE2 3.21Å; H187-F193 AromaticContact CE1-CZ 3.66Å; H187-F193 AromaticContact CG-CE2 4Å; H187-F193 AromaticContact ND1-CD2 3.33Å; H187-F193 VanDerWaalsContact ND1-CD2 3.33Å; H187-F193 WeakPolarHBondContact ND1-CD2 3.03Å; H187-F193 AromaticContact ND1-CE2 3.41Å; H187-F193 WeakPolarHBondContact ND1-CE2 3.32Å; H187-F193 AromaticContact NE2-CE2 3.5Å; H187-F193 AromaticContact NE2-CZ 3.9Å; N191-F193 PolarHBondContact O-N 3.34Å; F193-L199 HydrophobicContact CD1-CD2 3.4Å; F193-L199 WeakPolarHBondContact CD1-O 3.34Å; F193-L199 HydrophobicContact CE1-CD2 3.51Å; F193-H215 HydrophobicContact CE2-CB 4.29Å; F193-H215 HydrophobicContact CZ-CB 3.88Å; F193-F216 VanDerWaalsContact CZ-C 3.49Å; F193-D217 HydrophobicContact CB-CB 4.21Å; F193-D217 VanDerWaalsContact CB-OD2 3.27Å; F193-D217 WeakPolarHBondContact CB-OD2 3.33Å; F193-D217 HydrophobicContact CD1-CB 3.63Å; F193-D217 HydrophobicContact CD2-CB 4.06Å; F193-D217 HydrophobicContact CE1-CB 4.01Å; F193-D217 HydrophobicContact CE2-CB 4.36Å; F193-D217 HydrophobicContact CG-CB 3.72Å; F193-D217 HydrophobicContact CZ-CB 4.38Å
194	D	93.8	Very high	94.6	Very high	75 Å²	75	49 Å²	49	40%	0.401	28%	0.279	S	S	.	.			trans	-107	-0.9	179.4	56.2	-13.9	0	0	0	116.1	K57 L199	K57-D194 VanDerWaalsContact NZ-CG 3.34Å; K57-D194 IonicContact NZ-OD2 3.2Å; K57-D194 PolarHBondContact NZ-OD2 2.79Å; D194-L199 WeakPolarHBondContact OD1-CB 3.41Å; D194-L199 PolarHBondContact OD1-N 3.37Å; D194-L199 VanDerWaalsContact OD1-N 3.11Å
195	G	93.5	Very high	94.4	Very high	7 Å²	7	46.8 Å²	46.8	7%	0.072	27%	0.266	C	S	.	.	S	Bend	trans	102.5	-160.1	175.2	0	0	0	0	0	112.8	D197 D217	G195-D197 PolarHBondContact O-N 3.48Å; G195-D217 PolarHBondContact N-OD2 2.7Å
196	P	94.5	Very high	94.4	Very high	91 Å²	91	46.5 Å²	46.5	59%	0.591	26%	0.26	S	S	*	.	S	Bend	trans	-65.1	132	-175.4	-17.1	29.4	0	0	0	112.5	D219	P196-D219 HydrophobicContact CG-CB 4.17Å
197	D	91.7	Very high	94.2	Very high	109 Å²	109	42.7 Å²	42.7	58%	0.583	25%	0.25	S	C	*	.	S	Bend	trans	60.4	130	-168.1	-61	-54.6	0	0	0	114.1	G195 E220 Y229	G195-D197 PolarHBondContact O-N 3.48Å; D197-E220 WeakPolarHBondContact CA-OE1 3.38Å; D197-E220 PolarHBondContact N-OE1 2.9Å; D197-Y229 PolarHBondContact OD1-OH 3.46Å
198	G	92.9	Very high	93.9	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	28%	0.279	C	S	.	.	S	Bend	trans	129.4	-101.6	177.2	0	0	0	0	0	111.9	P109 R110 L200	P109-G198 WeakPolarHBondContact CA-O 3.15Å; R110-G198 PolarHBondContact N-O 2.8Å; G198-L200 PolarHBondContact O-N 3.13Å
199	L	94.9	Very high	93.9	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	93.4	-177.8	-160.4	156.9	0	0	0	110.7	F193 D194 A201	F193-L199 HydrophobicContact CD1-CD2 3.4Å; F193-L199 WeakPolarHBondContact CD1-O 3.34Å; F193-L199 HydrophobicContact CE1-CD2 3.51Å; D194-L199 WeakPolarHBondContact OD1-CB 3.41Å; D194-L199 PolarHBondContact OD1-N 3.37Å; D194-L199 VanDerWaalsContact OD1-N 3.11Å; L199-A201 PolarHBondContact O-N 2.83Å
200	L	98.3	Very high	94	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-35.8	-171.9	-54	-173.8	0	0	0	113.9	P109 R110 G198 D217 E220 W222 Y229 V234 Y259	P109-L200 HydrophobicContact CB-CD1 4.36Å; P109-L200 HydrophobicContact CB-CD2 3.94Å; P109-L200 HydrophobicContact CB-CG 4.27Å; R110-L200 PolarHBondContact O-N 3.2Å; G198-L200 PolarHBondContact O-N 3.13Å; L200-D217 PolarHBondContact O-N 3.49Å; L200-E220 HydrophobicContact CD2-CG 4.21Å; L200-E220 WeakPolarHBondContact CD2-OE1 3.36Å; L200-W222 HydrophobicContact CB-CH2 4.46Å; L200-W222 WeakPolarHBondContact O-CZ2 3.46Å; L200-Y229 HydrophobicContact CD1-CD1 3.47Å; L200-Y229 VanDerWaalsContact CD1-CD1 3.47Å; L200-Y229 HydrophobicContact CD1-CE1 3.83Å; L200-Y229 HydrophobicContact CD1-CG 4.08Å; L200-Y229 HydrophobicContact CD2-CD1 3.75Å; L200-Y229 HydrophobicContact CD2-CD2 3.86Å; L200-Y229 HydrophobicContact CD2-CE1 3.69Å; L200-Y229 HydrophobicContact CD2-CE2 3.79Å; L200-Y229 HydrophobicContact CD2-CG 3.86Å; L200-Y229 HydrophobicContact CG-CD1 4.27Å; L200-Y229 HydrophobicContact CG-CE1 4.41Å; L200-V234 HydrophobicContact CB-CG1 4.34Å; L200-V234 HydrophobicContact CD1-CG2 4.04Å; L200-Y259 HydrophobicContact CD1-CD2 4.04Å; L200-Y259 HydrophobicContact CD1-CG 3.82Å
201	A	98.4	Very high	94.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	166.9	-171.7	0	0	0	0	0	110.7	G112 L199 H215 F216 V234 E238	G112-A201 PolarHBondContact N-O 3.44Å; L199-A201 PolarHBondContact O-N 2.83Å; A201-H215 CarbonylContact C-O 3.57Å; A201-H215 WeakPolarHBondContact CA-O 3.39Å; A201-H215 VanDerWaalsContact CB-O 3.28Å; A201-H215 WeakPolarHBondContact CB-O 3.35Å; A201-F216 HydrophobicContact CB-CD1 3.69Å; A201-F216 HydrophobicContact CB-CE1 4.13Å; A201-F216 HydrophobicContact CB-CG 4.39Å; A201-V234 HydrophobicContact CB-CG1 3.6Å; A201-E238 HydrophobicContact CB-CG 3.56Å
202	H	97.8	Very high	94.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163	161.6	57.3	-126.2	0	0	0	112	V113 H187 D189 N191 H215 E238	V113-H202 HydrophobicContact CG2-CB 4.08Å; H187-H202 AromaticContact CE1-CE1 3.61Å; H187-H202 AromaticContact CE1-NE2 3.86Å; H187-H202 AromaticContact NE2-CE1 3.69Å; H187-H202 AromaticContact NE2-NE2 3.46Å; H187-H202 PolarHBondContact NE2-NE2 3.06Å; D189-H202 IonicContact OD2-CD2 2.57Å; D189-H202 IonicContact OD2-CE1 2.62Å; D189-H202 IonicContact OD2-NE2 3.75Å; D189-H202 PolarHBondContact OD2-NE2 2.84Å; N191-H202 PolarHBondContact O-CE1 2.88Å; H202-H215 PolarHBondContact N-O 3.14Å; H202-H215 AromaticContact NE2-ND1 3.66Å; H202-H215 PolarHBondContact O-N 3.27Å; H202-E238 WeakPolarHBondContact CA-OE2 3.39Å
203	A	96.7	Very high	94.6	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.5	168.5	0	0	0	0	0	113.1	V113 D213 T214 E238 H241 A242	V113-A203 WeakPolarHBondContact CG2-O 3.24Å; A203-D213 VanDerWaalsContact CA-O 3.26Å; A203-D213 WeakPolarHBondContact CA-O 3.1Å; A203-D213 WeakPolarHBondContact CB-O 3.28Å; A203-T214 HydrophobicContact CB-CG2 4.08Å; A203-T214 WeakPolarHBondContact CB-OG1 3.43Å; A203-E238 HydrophobicContact CB-CB 4Å; A203-E238 VanDerWaalsContact CB-O 3.31Å; A203-E238 WeakPolarHBondContact CB-O 3.36Å; A203-E238 PolarHBondContact N-OE2 3.14Å; A203-H241 HydrophobicContact CB-CB 4.05Å; A203-A242 HydrophobicContact CB-CB 4.34Å
204	Y	94.7	Very high	94.7	Very high	37 Å²	37	34.8 Å²	34.8	15%	0.145	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-85.8	144.4	178	-69.5	-85.9	0	0	0	111.6	D189 N191 I210 G212 D213	D189-Y204 HydrophobicContact CB-CE2 4.23Å; D189-Y204 WeakPolarHBondContact CB-OH 3.34Å; D189-Y204 VanDerWaalsContact CG-OH 3.31Å; D189-Y204 PolarHBondContact O-OH 2.79Å; D189-Y204 PolarHBondContact OD2-OH 2.87Å; N191-Y204 PolarHBondContact ND2-OH 3.11Å; Y204-I210 WeakPolarHBondContact CB-O 3.41Å; Y204-I210 HydrophobicContact CD1-CG2 4.44Å; Y204-I210 HydrophobicContact CD2-CD1 4.03Å; Y204-I210 HydrophobicContact CD2-CG1 3.79Å; Y204-I210 HydrophobicContact CE2-CD1 3.56Å; Y204-I210 HydrophobicContact CE2-CG1 3.88Å; Y204-I210 HydrophobicContact CG-CG1 4.42Å; Y204-I210 HydrophobicContact CG-CG2 4.37Å; Y204-G212 VanDerWaalsContact O-CA 3.28Å; Y204-G212 WeakPolarHBondContact O-CA 3.43Å; Y204-G212 PolarHBondContact O-N 3.12Å; Y204-D213 PolarHBondContact N-O 3.35Å
205	P	93.4	Very high	94.9	Very high	27 Å²	27	32 Å²	32	18%	0.175	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65	159	176.5	27.1	-34.9	0	0	0	112.7	Y119 L126 G207 G211 G212	Y119-P205 HydrophobicContact CE1-CB 4Å; L126-P205 HydrophobicContact CB-CB 4.33Å; L126-P205 HydrophobicContact CD1-CB 3.96Å; L126-P205 HydrophobicContact CD1-CG 4.3Å; P205-G207 PolarHBondContact O-N 2.92Å; P205-G211 CarbonylContact O-C 3.39Å; P205-G211 WeakPolarHBondContact O-CA 3.42Å; P205-G212 PolarHBondContact O-N 2.98Å; P205-G212 VanDerWaalsContact O-N 3.14Å
206	P	95	Very high	95.2	Very high	15 Å²	15	31.7 Å²	31.7	10%	0.097	21%	0.213	C	C	.	.	S	Bend	trans	-50	126.1	-179.7	-31.9	37.7	0	0	0	114.1	L126 W128 L243	L126-P206 WeakPolarHBondContact O-CG 3.31Å; W128-P206 HydrophobicContact CD2-CB 3.89Å; W128-P206 HydrophobicContact CD2-CG 4.49Å; W128-P206 HydrophobicContact CE3-CB 4.36Å; W128-P206 HydrophobicContact CG-CB 4.22Å; W128-P206 HydrophobicContact CH2-CB 4.47Å; W128-P206 HydrophobicContact CZ2-CB 4Å; W128-P206 HydrophobicContact CZ2-CG 4.46Å; P206-L243 VanDerWaalsContact CG-C 3.48Å
207	G	92	Very high	95.4	Very high	27 Å²	27	27.4 Å²	27.4	28%	0.278	18%	0.184	S	C	.	.			trans	-179.4	-177.1	-177.1	0	0	0	0	0	113.7	W128 P205 G211	W128-G207 WeakPolarHBondContact CH2-O 3.21Å; P205-G207 PolarHBondContact O-N 2.92Å; G207-G211 VanDerWaalsContact O-O 3.11Å
208	P	90.4	Very high	95.7	Very high	128 Å²	128	24.5 Å²	24.5	83%	0.831	17%	0.167	S	C	*	.	S	Bend	trans	-82.5	154.3	174.6	33.9	-34.5	0	0	0	112	I210	P208-I210 PolarHBondContact O-N 3.33Å
209	G	92.1	Very high	96	Very high	79 Å²	79	27.3 Å²	27.3	81%	0.814	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	-103.8	174.4	0	0	0	0	0	111.5
210	I	92.4	Very high	96.1	Very high	66 Å²	66	27.6 Å²	27.6	34%	0.338	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.1	177.5	-160.7	170.3	0	0	0	112.6	D189 Y204 P208 G212 D213	D189-I210 HydrophobicContact CB-CD1 3.59Å; Y204-I210 WeakPolarHBondContact CB-O 3.41Å; Y204-I210 HydrophobicContact CD1-CG2 4.44Å; Y204-I210 HydrophobicContact CD2-CD1 4.03Å; Y204-I210 HydrophobicContact CD2-CG1 3.79Å; Y204-I210 HydrophobicContact CE2-CD1 3.56Å; Y204-I210 HydrophobicContact CE2-CG1 3.88Å; Y204-I210 HydrophobicContact CG-CG1 4.42Å; Y204-I210 HydrophobicContact CG-CG2 4.37Å; P208-I210 PolarHBondContact O-N 3.33Å; I210-G212 PolarHBondContact O-N 2.82Å; I210-D213 HydrophobicContact CG1-CB 3.86Å; I210-D213 VanDerWaalsContact O-CB 3.28Å; I210-D213 WeakPolarHBondContact O-CB 3.35Å; I210-D213 PolarHBondContact O-N 2.97Å
211	G	94.4	Very high	96.1	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	124.6	177.6	0	0	0	0	0	110.8	W128 P205 G207	W128-G211 WeakPolarHBondContact CH2-O 3.42Å; P205-G211 CarbonylContact O-C 3.39Å; P205-G211 WeakPolarHBondContact O-CA 3.42Å; G207-G211 VanDerWaalsContact O-O 3.11Å
212	G	95.6	Very high	96.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-19.9	-169.3	0	0	0	0	0	115	I178 Y204 P205 I210 T214 A242	I178-G212 WeakPolarHBondContact CG2-O 3.46Å; Y204-G212 VanDerWaalsContact O-CA 3.28Å; Y204-G212 WeakPolarHBondContact O-CA 3.43Å; Y204-G212 PolarHBondContact O-N 3.12Å; P205-G212 PolarHBondContact O-N 2.98Å; P205-G212 VanDerWaalsContact O-N 3.14Å; I210-G212 PolarHBondContact O-N 2.82Å; G212-T214 PolarHBondContact O-OG1 3.06Å; G212-A242 VanDerWaalsContact O-CB 3.31Å; G212-A242 WeakPolarHBondContact O-CB 3.45Å
213	D	98.1	Very high	96.1	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.107	20%	0.202	C	C	.	.			trans	-68.4	144.8	-177.5	-68.7	-8.2	0	0	0	111.1	M179 A203 Y204 I210	M179-D213 WeakPolarHBondContact CA-OD1 3.4Å; M179-D213 HydrophobicContact CB-CB 4.41Å; M179-D213 WeakPolarHBondContact CB-OD1 3.2Å; M179-D213 VanDerWaalsContact CG-OD1 3.29Å; M179-D213 WeakPolarHBondContact CG-OD1 3.35Å; M179-D213 PolarHBondContact N-OD1 2.98Å; M179-D213 CarbonylContact O-C 3.59Å; M179-D213 VanDerWaalsContact O-CA 3.31Å; M179-D213 WeakPolarHBondContact O-CA 3.3Å; A203-D213 VanDerWaalsContact CA-O 3.26Å; A203-D213 WeakPolarHBondContact CA-O 3.1Å; A203-D213 WeakPolarHBondContact CB-O 3.28Å; Y204-D213 PolarHBondContact N-O 3.35Å; I210-D213 HydrophobicContact CG1-CB 3.86Å; I210-D213 VanDerWaalsContact O-CB 3.28Å; I210-D213 WeakPolarHBondContact O-CB 3.35Å; I210-D213 PolarHBondContact O-N 2.97Å
214	T	98.5	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.1	-169.9	-58	0	0	0	0	110	M179 I180 S181 A203 G212 F216 E238	M179-T214 PolarHBondContact O-N 2.97Å; I180-T214 WeakPolarHBondContact CA-O 3.15Å; S181-T214 PolarHBondContact N-O 3.13Å; A203-T214 HydrophobicContact CB-CG2 4.08Å; A203-T214 WeakPolarHBondContact CB-OG1 3.43Å; G212-T214 PolarHBondContact O-OG1 3.06Å; T214-F216 HydrophobicContact CG2-CE2 3.7Å; T214-F216 HydrophobicContact CG2-CZ 3.73Å; T214-E238 HydrophobicContact CG2-CB 3.56Å; T214-E238 HydrophobicContact CG2-CG 4.23Å
215	H	98.7	Very high	95.8	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	-175.2	-58.5	160.2	0	0	0	110.3	S181 H187 D189 F193 A201 H202	S181-H215 WeakPolarHBondContact O-CA 3.39Å; S181-H215 PolarHBondContact OG-CD2 2.96Å; H187-H215 AromaticContact CD2-CE1 3.99Å; H187-H215 AromaticContact CD2-CG 3.76Å; H187-H215 AromaticContact CD2-ND1 3.29Å; H187-H215 PolarHBondContact CD2-ND1 3.16Å; H187-H215 VanDerWaalsContact CD2-ND1 3.29Å; H187-H215 WeakPolarHBondContact NE2-CB 3.44Å; H187-H215 AromaticContact NE2-CG 3.53Å; H187-H215 AromaticContact NE2-ND1 3.05Å; H187-H215 PolarHBondContact NE2-ND1 2.87Å; D189-H215 IonicContact OD2-CE1 2.6Å; D189-H215 PolarHBondContact OD2-CE1 3.42Å; D189-H215 IonicContact OD2-ND1 2.98Å; D189-H215 PolarHBondContact OD2-ND1 3.4Å; F193-H215 HydrophobicContact CE2-CB 4.29Å; F193-H215 HydrophobicContact CZ-CB 3.88Å; A201-H215 CarbonylContact C-O 3.57Å; A201-H215 WeakPolarHBondContact CA-O 3.39Å; A201-H215 VanDerWaalsContact CB-O 3.28Å; A201-H215 WeakPolarHBondContact CB-O 3.35Å; H202-H215 PolarHBondContact N-O 3.14Å; H202-H215 AromaticContact NE2-ND1 3.66Å; H202-H215 PolarHBondContact O-N 3.27Å
216	F	98.8	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.7	175	-62	-84.4	0	0	0	109.2	I153 I180 S181 F182 G183 F193 A201 T214 E218 W222 L231 V234 A235 E238	I153-F216 HydrophobicContact CD1-CE2 4.11Å; I153-F216 HydrophobicContact CD1-CZ 4.21Å; I180-F216 HydrophobicContact CG2-CD2 4.33Å; I180-F216 HydrophobicContact CG2-CE2 3.82Å; S181-F216 PolarHBondContact O-N 2.84Å; F182-F216 CarbonylContact C-O 3.56Å; F182-F216 VanDerWaalsContact CA-O 3.3Å; F182-F216 WeakPolarHBondContact CA-O 3.43Å; F182-F216 HydrophobicContact CD1-CB 3.66Å; F182-F216 HydrophobicContact CD1-CD2 4.44Å; F182-F216 HydrophobicContact CD1-CG 4.33Å; F182-F216 HydrophobicContact CE1-CB 3.9Å; F182-F216 HydrophobicContact CE1-CD2 4.14Å; F182-F216 HydrophobicContact CE1-CG 4.12Å; F182-F216 HydrophobicContact CG-CB 4.35Å; F182-F216 HydrophobicContact CZ-CD2 4.23Å; G183-F216 PolarHBondContact N-O 3.4Å; F193-F216 VanDerWaalsContact CZ-C 3.49Å; A201-F216 HydrophobicContact CB-CD1 3.69Å; A201-F216 HydrophobicContact CB-CE1 4.13Å; A201-F216 HydrophobicContact CB-CG 4.39Å; T214-F216 HydrophobicContact CG2-CE2 3.7Å; T214-F216 HydrophobicContact CG2-CZ 3.73Å; F216-E218 PolarHBondContact O-N 3.11Å; F216-W222 HydrophobicContact CB-CH2 4.44Å; F216-W222 HydrophobicContact CB-CZ2 3.78Å; F216-W222 AromaticContact CD1-CH2 3.83Å; F216-W222 HydrophobicContact CD1-CH2 3.83Å; F216-W222 HydrophobicContact CD1-CZ2 4.03Å; F216-W222 HydrophobicContact CD1-CZ3 4.43Å; F216-W222 HydrophobicContact CG-CZ2 4.35Å; F216-L231 HydrophobicContact CD1-CD1 3.93Å; F216-L231 HydrophobicContact CE1-CD1 3.96Å; F216-L231 HydrophobicContact CG-CD1 4.25Å; F216-L231 HydrophobicContact CZ-CD1 4.28Å; F216-V234 HydrophobicContact CD1-CG1 4.21Å; F216-V234 HydrophobicContact CE1-CB 4.38Å; F216-V234 HydrophobicContact CE1-CG1 4.01Å; F216-A235 HydrophobicContact CE1-CB 3.92Å; F216-A235 HydrophobicContact CZ-CB 3.52Å; F216-E238 HydrophobicContact CE1-CG 4.21Å
217	D	98.6	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133	173.6	-162.2	-11.7	0	0	0	109.5	G183 F193 G195 L200 D219 E220 W222	G183-D217 CarbonylContact O-C 3.54Å; G183-D217 WeakPolarHBondContact O-CA 3.46Å; G183-D217 VanDerWaalsContact O-OD1 3.06Å; F193-D217 HydrophobicContact CB-CB 4.21Å; F193-D217 VanDerWaalsContact CB-OD2 3.27Å; F193-D217 WeakPolarHBondContact CB-OD2 3.33Å; F193-D217 HydrophobicContact CD1-CB 3.63Å; F193-D217 HydrophobicContact CD2-CB 4.06Å; F193-D217 HydrophobicContact CE1-CB 4.01Å; F193-D217 HydrophobicContact CE2-CB 4.36Å; F193-D217 HydrophobicContact CG-CB 3.72Å; F193-D217 HydrophobicContact CZ-CB 4.38Å; G195-D217 PolarHBondContact N-OD2 2.7Å; L200-D217 PolarHBondContact O-N 3.49Å; D217-D219 PolarHBondContact OD1-N 3.5Å; D217-E220 HydrophobicContact CB-CB 4.45Å; D217-E220 HydrophobicContact CB-CG 4.01Å; D217-W222 PolarHBondContact O-NE1 3.1Å
218	E	98.4	Very high	95.2	Very high	48 Å²	48	44.6 Å²	44.6	22%	0.224	27%	0.27	C	S	.	.	S	Bend	trans	-93.5	-8	176.3	-169	76.4	-90.6	0	0	112.1	T141 P142 F182 G183 T184 F216	T141-E218 WeakPolarHBondContact CA-OE1 3.47Å; T141-E218 VanDerWaalsContact CA-OE2 3.24Å; T141-E218 WeakPolarHBondContact CA-OE2 3.38Å; T141-E218 WeakPolarHBondContact CB-OE1 3.14Å; T141-E218 PolarHBondContact OG1-OE1 2.84Å; P142-E218 VanDerWaalsContact CD-OE1 3.27Å; P142-E218 WeakPolarHBondContact CD-OE1 3.33Å; F182-E218 HydrophobicContact CB-CB 4.26Å; F182-E218 HydrophobicContact CB-CG 4.5Å; F182-E218 WeakPolarHBondContact CB-OE2 3.37Å; G183-E218 PolarHBondContact O-N 2.91Å; T184-E218 HydrophobicContact CG2-CB 3.88Å; F216-E218 PolarHBondContact O-N 3.11Å
219	D	98.2	Very high	95.5	Very high	80 Å²	80	39.7 Å²	39.7	43%	0.428	24%	0.235	S	C	.	.	S	Bend	trans	-75.6	-9.8	166.1	-74.4	-47.8	0	0	0	111.9	T184 P196 D217	T184-D219 WeakPolarHBondContact CB-OD2 3.24Å; T184-D219 WeakPolarHBondContact CG2-OD2 3.39Å; P196-D219 HydrophobicContact CG-CB 4.17Å; D217-D219 PolarHBondContact OD1-N 3.5Å
220	E	98.3	Very high	95.7	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.042	20%	0.198	C	C	.	.	S	Bend	trans	-89.6	145.4	177.4	-75.2	-71.2	-159.1	0	0	114.9	D197 L200 D217 W222 Y229	D197-E220 WeakPolarHBondContact CA-OE1 3.38Å; D197-E220 PolarHBondContact N-OE1 2.9Å; L200-E220 HydrophobicContact CD2-CG 4.21Å; L200-E220 WeakPolarHBondContact CD2-OE1 3.36Å; D217-E220 HydrophobicContact CB-CB 4.45Å; D217-E220 HydrophobicContact CB-CG 4.01Å; E220-W222 HydrophobicContact CB-CZ2 4.14Å; E220-W222 VanDerWaalsContact O-CD1 3.24Å; E220-W222 PolarHBondContact O-N 3.16Å; E220-Y229 HydrophobicContact CB-CD2 4.47Å; E220-Y229 HydrophobicContact CG-CD2 4.47Å; E220-Y229 WeakPolarHBondContact OE1-CE2 3.1Å; E220-Y229 VanDerWaalsContact OE2-CD2 3.22Å; E220-Y229 WeakPolarHBondContact OE2-CD2 2.84Å; E220-Y229 WeakPolarHBondContact OE2-CE2 3.27Å
221	H	97.8	Very high	96	Very high	103 Å²	103	33.1 Å²	33.1	48%	0.477	18%	0.182	S	C	.	.			trans	-83.7	104	-178.2	-170	37.9	0	0	0	113.1	D143 A228	D143-H221 IonicContact OD1-ND1 2.8Å; D143-H221 IonicContact OD2-CE1 2.77Å; D143-H221 PolarHBondContact OD2-CE1 2.94Å; D143-H221 IonicContact OD2-CG 3.39Å; D143-H221 IonicContact OD2-ND1 2.75Å; D143-H221 PolarHBondContact OD2-ND1 2.6Å; H221-A228 HydrophobicContact CB-CB 4.16Å; H221-A228 WeakPolarHBondContact O-CB 3.23Å
222	W	98.4	Very high	96.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.7	-172.6	-69.9	105.5	0	0	0	114.1	T141 D143 L144 L200 F216 D217 E220 L231 V234	T141-W222 HydrophobicContact CG2-CB 4.21Å; T141-W222 HydrophobicContact CG2-CG 4.46Å; D143-W222 HydrophobicContact CB-CB 4.43Å; D143-W222 PolarHBondContact OD2-N 3.36Å; D143-W222 VanDerWaalsContact OD2-N 3.08Å; L144-W222 HydrophobicContact CD1-CB 4.13Å; L144-W222 WeakPolarHBondContact CD2-O 3.28Å; L144-W222 HydrophobicContact CG-CB 4.39Å; L144-W222 WeakPolarHBondContact CG-O 3.33Å; L200-W222 HydrophobicContact CB-CH2 4.46Å; L200-W222 WeakPolarHBondContact O-CZ2 3.46Å; F216-W222 HydrophobicContact CB-CH2 4.44Å; F216-W222 HydrophobicContact CB-CZ2 3.78Å; F216-W222 AromaticContact CD1-CH2 3.83Å; F216-W222 HydrophobicContact CD1-CH2 3.83Å; F216-W222 HydrophobicContact CD1-CZ2 4.03Å; F216-W222 HydrophobicContact CD1-CZ3 4.43Å; F216-W222 HydrophobicContact CG-CZ2 4.35Å; D217-W222 PolarHBondContact O-NE1 3.1Å; E220-W222 HydrophobicContact CB-CZ2 4.14Å; E220-W222 VanDerWaalsContact O-CD1 3.24Å; E220-W222 PolarHBondContact O-N 3.16Å; W222-L231 HydrophobicContact CD2-CB 4.46Å; W222-L231 HydrophobicContact CD2-CD1 4.1Å; W222-L231 HydrophobicContact CE3-CB 3.76Å; W222-L231 HydrophobicContact CE3-CD1 3.79Å; W222-L231 HydrophobicContact CE3-CG 4.36Å; W222-L231 HydrophobicContact CZ3-CB 4.45Å; W222-L231 HydrophobicContact CZ3-CD1 4.1Å; W222-V234 HydrophobicContact CH2-CB 4.17Å; W222-V234 HydrophobicContact CH2-CG1 4.08Å; W222-V234 HydrophobicContact CH2-CG2 4.2Å; W222-V234 HydrophobicContact CZ3-CB 3.96Å; W222-V234 HydrophobicContact CZ3-CG1 4.39Å; W222-V234 HydrophobicContact CZ3-CG2 3.86Å
223	T	97.7	Very high	96.3	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	172.6	-172.3	67.5	0	0	0	0	113.4	S227 A228 Y229 L231	T223-S227 WeakPolarHBondContact CG2-OG 3.43Å; T223-A228 HydrophobicContact CG2-CB 3.77Å; T223-Y229 PolarHBondContact N-O 3.29Å; T223-Y229 PolarHBondContact OG1-O 3.08Å; T223-L231 PolarHBondContact O-N 3.05Å; T223-L231 VanDerWaalsContact O-N 3.15Å
224	K	94.9	Very high	96.3	Very high	111 Å²	111	34.7 Å²	34.7	48%	0.483	19%	0.186	S	C	.	.	S	Bend	trans	-114.2	-8.2	-179.5	-71.1	167.8	-71.6	-170	0	113.8	L144 D148 N230	L144-K224 HydrophobicContact CD1-CG 4.39Å; L144-K224 HydrophobicContact CD2-CD 3.97Å; L144-K224 HydrophobicContact CD2-CG 3.85Å; D148-K224 HydrophobicContact CB-CD 3.98Å; D148-K224 WeakPolarHBondContact OD2-CD 3.4Å; D148-K224 IonicContact OD2-NZ 3.74Å; D148-K224 PolarHBondContact OD2-NZ 2.95Å; K224-N230 PolarHBondContact O-ND2 2.97Å; K224-N230 VanDerWaalsContact O-ND2 3.09Å
225	D	89.7	Confident	96.3	Very high	87 Å²	87	34.7 Å²	34.7	47%	0.465	19%	0.186	S	C	.	.	S	Bend	trans	-127.3	-132.2	-177.6	48.4	68.1	0	0	0	108.2	S227 N230 F261	D225-S227 PolarHBondContact OD1-N 2.79Å; D225-S227 VanDerWaalsContact OD1-N 3.14Å; D225-S227 PolarHBondContact OD1-OG 2.94Å; D225-N230 PolarHBondContact N-ND2 2.98Å; D225-N230 PolarHBondContact O-ND2 2.76Å; D225-F261 WeakPolarHBondContact O-CE2 3.46Å
226	S	86.4	Confident	96.3	Very high	52 Å²	52	33.9 Å²	33.9	36%	0.364	18%	0.182	S	C	.	.	S	Bend	trans	-125.7	22.2	-174.4	73.3	0	0	0	0	113	P342	S226-P342 WeakPolarHBondContact OG-CB 3.33Å
227	S	87.6	Confident	96.3	Very high	87 Å²	87	34.5 Å²	34.5	61%	0.608	19%	0.185	S	C	*	.	S	Bend	trans	-80.2	-18.7	177.8	69.6	0	0	0	0	114.2	T223 D225	T223-S227 WeakPolarHBondContact CG2-OG 3.43Å; D225-S227 PolarHBondContact OD1-N 2.79Å; D225-S227 VanDerWaalsContact OD1-N 3.14Å; D225-S227 PolarHBondContact OD1-OG 2.94Å
228	A	93.7	Very high	96.3	Very high	29 Å²	29	34.6 Å²	34.6	24%	0.24	19%	0.186	C	C	.	.	S	Bend	trans	-160	-139.3	170.2	0	0	0	0	0	108.7	H221 T223 Y259	H221-A228 HydrophobicContact CB-CB 4.16Å; H221-A228 WeakPolarHBondContact O-CB 3.23Å; T223-A228 HydrophobicContact CG2-CB 3.77Å; A228-Y259 PolarHBondContact O-OH 3Å
229	Y	96.8	Very high	96.3	Very high	24 Å²	24	32.3 Å²	32.3	9%	0.094	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.8	-178.9	-59.3	-63.8	0	0	0	112	P109 D197 L200 E220 T223 L231 Y259	P109-Y229 HydrophobicContact CB-CE1 3.73Å; P109-Y229 WeakPolarHBondContact CB-OH 3.16Å; P109-Y229 HydrophobicContact CG-CE1 3.8Å; P109-Y229 WeakPolarHBondContact CG-OH 3.5Å; D197-Y229 PolarHBondContact OD1-OH 3.46Å; L200-Y229 HydrophobicContact CD1-CD1 3.47Å; L200-Y229 VanDerWaalsContact CD1-CD1 3.47Å; L200-Y229 HydrophobicContact CD1-CE1 3.83Å; L200-Y229 HydrophobicContact CD1-CG 4.08Å; L200-Y229 HydrophobicContact CD2-CD1 3.75Å; L200-Y229 HydrophobicContact CD2-CD2 3.86Å; L200-Y229 HydrophobicContact CD2-CE1 3.69Å; L200-Y229 HydrophobicContact CD2-CE2 3.79Å; L200-Y229 HydrophobicContact CD2-CG 3.86Å; L200-Y229 HydrophobicContact CG-CD1 4.27Å; L200-Y229 HydrophobicContact CG-CE1 4.41Å; E220-Y229 HydrophobicContact CB-CD2 4.47Å; E220-Y229 HydrophobicContact CG-CD2 4.47Å; E220-Y229 WeakPolarHBondContact OE1-CE2 3.1Å; E220-Y229 VanDerWaalsContact OE2-CD2 3.22Å; E220-Y229 WeakPolarHBondContact OE2-CD2 2.84Å; E220-Y229 WeakPolarHBondContact OE2-CE2 3.27Å; T223-Y229 PolarHBondContact N-O 3.29Å; T223-Y229 PolarHBondContact OG1-O 3.08Å; Y229-L231 PolarHBondContact O-N 2.82Å; Y229-Y259 AromaticContact CD1-CD1 3.59Å; Y229-Y259 HydrophobicContact CD1-CD1 3.59Å; Y229-Y259 HydrophobicContact CD1-CD2 4.4Å; Y229-Y259 AromaticContact CD1-CE1 3.59Å; Y229-Y259 HydrophobicContact CD1-CE1 3.59Å; Y229-Y259 HydrophobicContact CD1-CE2 4.41Å; Y229-Y259 AromaticContact CD1-CG 4Å; Y229-Y259 HydrophobicContact CD1-CG 4Å; Y229-Y259 AromaticContact CE1-CD1 3.68Å; Y229-Y259 HydrophobicContact CE1-CD1 3.68Å; Y229-Y259 AromaticContact CE1-CE1 3.98Å; Y229-Y259 HydrophobicContact CE1-CE1 3.98Å; Y229-Y259 HydrophobicContact CE1-CG 4.28Å
230	N	97.6	Very high	96.3	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.3	-175.3	-171.7	-72.3	0	0	0	110.6	K224 D225 F232 I233 V234 Y259 F261	K224-N230 PolarHBondContact O-ND2 2.97Å; K224-N230 VanDerWaalsContact O-ND2 3.09Å; D225-N230 PolarHBondContact N-ND2 2.98Å; D225-N230 PolarHBondContact O-ND2 2.76Å; N230-F232 PolarHBondContact O-N 3.42Å; N230-F232 VanDerWaalsContact O-N 3.1Å; N230-F232 WeakPolarHBondContact OD1-CB 3.44Å; N230-F232 PolarHBondContact OD1-N 3.11Å; N230-F232 VanDerWaalsContact OD1-N 3.07Å; N230-I233 HydrophobicContact CB-CB 4.24Å; N230-I233 HydrophobicContact CB-CG1 4.07Å; N230-I233 PolarHBondContact O-N 3.09Å; N230-I233 PolarHBondContact OD1-N 3.47Å; N230-V234 PolarHBondContact O-N 3.22Å; N230-V234 VanDerWaalsContact O-N 3.08Å; N230-Y259 WeakPolarHBondContact CB-OH 3.31Å; N230-Y259 PolarHBondContact N-OH 3.02Å; N230-F261 HydrophobicContact CB-CD2 4Å; N230-F261 HydrophobicContact CB-CE2 4.2Å
231	L	98.6	Very high	96.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-28.5	-174.9	-178.6	61.3	0	0	0	113.3	L144 V149 A152 F182 F216 W222 T223 Y229 A235	L144-L231 HydrophobicContact CD1-CB 4.11Å; L144-L231 HydrophobicContact CD1-CD2 3.76Å; V149-L231 HydrophobicContact CB-CD2 4.34Å; V149-L231 HydrophobicContact CG1-CD2 4.19Å; V149-L231 HydrophobicContact CG2-CD2 4.01Å; A152-L231 HydrophobicContact CB-CB 4.4Å; A152-L231 HydrophobicContact CB-CD2 4.17Å; A152-L231 HydrophobicContact CB-CG 4.08Å; F182-L231 HydrophobicContact CE1-CD1 3.94Å; F182-L231 HydrophobicContact CE1-CD2 4.3Å; F182-L231 HydrophobicContact CZ-CD1 4.11Å; F182-L231 HydrophobicContact CZ-CD2 4.03Å; F216-L231 HydrophobicContact CD1-CD1 3.93Å; F216-L231 HydrophobicContact CE1-CD1 3.96Å; F216-L231 HydrophobicContact CG-CD1 4.25Å; F216-L231 HydrophobicContact CZ-CD1 4.28Å; W222-L231 HydrophobicContact CD2-CB 4.46Å; W222-L231 HydrophobicContact CD2-CD1 4.1Å; W222-L231 HydrophobicContact CE3-CB 3.76Å; W222-L231 HydrophobicContact CE3-CD1 3.79Å; W222-L231 HydrophobicContact CE3-CG 4.36Å; W222-L231 HydrophobicContact CZ3-CB 4.45Å; W222-L231 HydrophobicContact CZ3-CD1 4.1Å; T223-L231 PolarHBondContact O-N 3.05Å; T223-L231 VanDerWaalsContact O-N 3.15Å; Y229-L231 PolarHBondContact O-N 2.82Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.12Å
232	F	98.3	Very high	96.3	Very high	45 Å²	45	23.2 Å²	23.2	20%	0.197	13%	0.13	C	C	.	.	H	α-helix	trans	-73.3	-35.5	176	158.6	-103.3	0	0	0	112.5	A152 N155 A156 V159 N230 A236 P266	A152-F232 HydrophobicContact CB-CB 4.13Å; N155-F232 HydrophobicContact CB-CD2 3.67Å; N155-F232 HydrophobicContact CB-CE2 3.73Å; A156-F232 HydrophobicContact CB-CD2 4.32Å; V159-F232 HydrophobicContact CG2-CE2 3.89Å; V159-F232 HydrophobicContact CG2-CZ 3.87Å; N230-F232 PolarHBondContact O-N 3.42Å; N230-F232 VanDerWaalsContact O-N 3.1Å; N230-F232 WeakPolarHBondContact OD1-CB 3.44Å; N230-F232 PolarHBondContact OD1-N 3.11Å; N230-F232 VanDerWaalsContact OD1-N 3.07Å; F232-A236 VanDerWaalsContact O-CB 3.25Å; F232-A236 WeakPolarHBondContact O-CB 3.35Å; F232-A236 PolarHBondContact O-N 3.03Å; F232-A236 VanDerWaalsContact O-N 3.09Å; F232-P266 HydrophobicContact CZ-CG 4.23Å
233	I	97.3	Very high	96.2	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-72.6	-51.6	178.5	-61.9	-62	0	0	0	110.4	N230 A235 A236 H237 L254 Y259 A262 P266	N230-I233 HydrophobicContact CB-CB 4.24Å; N230-I233 HydrophobicContact CB-CG1 4.07Å; N230-I233 PolarHBondContact O-N 3.09Å; N230-I233 PolarHBondContact OD1-N 3.47Å; I233-A235 PolarHBondContact O-N 2.9Å; I233-A236 PolarHBondContact O-N 3.07Å; I233-A236 VanDerWaalsContact O-N 3.11Å; I233-H237 PolarHBondContact O-N 2.77Å; I233-H237 VanDerWaalsContact O-N 3.12Å; I233-L254 HydrophobicContact CG2-CD1 4.43Å; I233-Y259 HydrophobicContact CB-CE2 4.36Å; I233-Y259 HydrophobicContact CG2-CD2 4.48Å; I233-Y259 HydrophobicContact CG2-CE2 4.15Å; I233-A262 HydrophobicContact CD1-CB 4.47Å; I233-P266 HydrophobicContact CD1-CB 4.37Å
234	V	98.5	Very high	96	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.048	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-46.6	179	-173.9	0	0	0	0	110.1	L200 A201 F216 W222 N230 A236 H237 E238 Y259	L200-V234 HydrophobicContact CB-CG1 4.34Å; L200-V234 HydrophobicContact CD1-CG2 4.04Å; A201-V234 HydrophobicContact CB-CG1 3.6Å; F216-V234 HydrophobicContact CD1-CG1 4.21Å; F216-V234 HydrophobicContact CE1-CB 4.38Å; F216-V234 HydrophobicContact CE1-CG1 4.01Å; W222-V234 HydrophobicContact CH2-CB 4.17Å; W222-V234 HydrophobicContact CH2-CG1 4.08Å; W222-V234 HydrophobicContact CH2-CG2 4.2Å; W222-V234 HydrophobicContact CZ3-CB 3.96Å; W222-V234 HydrophobicContact CZ3-CG1 4.39Å; W222-V234 HydrophobicContact CZ3-CG2 3.86Å; N230-V234 PolarHBondContact O-N 3.22Å; N230-V234 VanDerWaalsContact O-N 3.08Å; V234-A236 VanDerWaalsContact C-N 3.25Å; V234-A236 PolarHBondContact O-N 3.44Å; V234-H237 WeakPolarHBondContact O-CB 3.25Å; V234-H237 PolarHBondContact O-N 2.63Å; V234-E238 HydrophobicContact CG1-CG 4.18Å; V234-E238 WeakPolarHBondContact O-CG 3.43Å; V234-E238 PolarHBondContact O-N 2.97Å; V234-Y259 HydrophobicContact CG2-CD2 3.81Å; V234-Y259 HydrophobicContact CG2-CE2 3.9Å
235	A	98.8	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-29.9	176.4	0	0	0	0	0	113.7	I153 A156 F216 L231 I233 L239	I153-A235 HydrophobicContact CD1-CB 3.64Å; A156-A235 HydrophobicContact CB-CB 3.96Å; F216-A235 HydrophobicContact CE1-CB 3.92Å; F216-A235 HydrophobicContact CZ-CB 3.52Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.12Å; I233-A235 PolarHBondContact O-N 2.9Å; A235-L239 HydrophobicContact CB-CD1 4.45Å; A235-L239 WeakPolarHBondContact O-CB 3.44Å; A235-L239 VanDerWaalsContact O-CD1 3.24Å; A235-L239 WeakPolarHBondContact O-CD1 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.01Å; A235-L239 PolarHBondContact O-N 2.95Å
236	A	98.6	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.2	-37.4	175.2	0	0	0	0	0	111.6	A156 W160 F232 I233 V234 G240 L254	A156-A236 HydrophobicContact CB-CB 3.96Å; W160-A236 WeakPolarHBondContact CZ2-O 3.41Å; W160-A236 PolarHBondContact NE1-O 2.87Å; F232-A236 VanDerWaalsContact O-CB 3.25Å; F232-A236 WeakPolarHBondContact O-CB 3.35Å; F232-A236 PolarHBondContact O-N 3.03Å; F232-A236 VanDerWaalsContact O-N 3.09Å; I233-A236 PolarHBondContact O-N 3.07Å; I233-A236 VanDerWaalsContact O-N 3.11Å; V234-A236 VanDerWaalsContact C-N 3.25Å; V234-A236 PolarHBondContact O-N 3.44Å; A236-G240 PolarHBondContact O-N 3.36Å; A236-L254 HydrophobicContact CB-CD1 4.33Å; A236-L254 HydrophobicContact CB-CD2 3.66Å
237	H	98.6	Very high	96.6	Very high	13 Å²	13	15.3 Å²	15.3	6%	0.06	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-56.9	173.2	-178.7	107.8	0	0	0	111.4	C111 I233 V234 L239 G240 H241 H247 L254 M255 Y256	C111-H237 VanDerWaalsContact CB-NE2 3.31Å; C111-H237 WeakPolarHBondContact CB-NE2 3.43Å; I233-H237 PolarHBondContact O-N 2.77Å; I233-H237 VanDerWaalsContact O-N 3.12Å; V234-H237 WeakPolarHBondContact O-CB 3.25Å; V234-H237 PolarHBondContact O-N 2.63Å; H237-L239 VanDerWaalsContact C-N 3.28Å; H237-L239 PolarHBondContact O-N 3.01Å; H237-G240 WeakPolarHBondContact O-CA 3.49Å; H237-G240 PolarHBondContact O-N 2.71Å; H237-H241 AromaticContact CD2-CD2 3.96Å; H237-H241 AromaticContact CD2-NE2 3.84Å; H237-H241 AromaticContact NE2-CD2 3.94Å; H237-H241 AromaticContact NE2-NE2 3.34Å; H237-H241 PolarHBondContact NE2-NE2 3.09Å; H237-H241 PolarHBondContact O-N 3.22Å; H237-H247 AromaticContact CE1-CD2 3.56Å; H237-H247 AromaticContact CE1-NE2 3.7Å; H237-H247 AromaticContact NE2-CD2 3.41Å; H237-H247 PolarHBondContact NE2-CD2 2.77Å; H237-H247 AromaticContact NE2-NE2 3.2Å; H237-H247 PolarHBondContact NE2-NE2 2.79Å; H237-L254 HydrophobicContact CB-CD1 4.16Å; H237-L254 HydrophobicContact CB-CG 4.39Å; H237-L254 PolarHBondContact ND1-O 2.58Å; H237-M255 WeakPolarHBondContact O-CE 3.45Å; H237-Y256 PolarHBondContact CE1-O 2.81Å; H237-Y256 PolarHBondContact ND1-O 2.89Å
238	E	98.6	Very high	96.9	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-37.4	-178.2	-58.7	-44.9	136.8	0	0	112.8	C111 A201 H202 A203 T214 F216 V234 G240 H241 A242	C111-E238 WeakPolarHBondContact CB-OE1 3.41Å; C111-E238 VanDerWaalsContact SG-CD 3.58Å; C111-E238 PolarHBondContact SG-OE1 3.01Å; C111-E238 PolarHBondContact SG-OE2 2.84Å; A201-E238 HydrophobicContact CB-CG 3.56Å; H202-E238 WeakPolarHBondContact CA-OE2 3.39Å; A203-E238 HydrophobicContact CB-CB 4Å; A203-E238 VanDerWaalsContact CB-O 3.31Å; A203-E238 WeakPolarHBondContact CB-O 3.36Å; A203-E238 PolarHBondContact N-OE2 3.14Å; T214-E238 HydrophobicContact CG2-CB 3.56Å; T214-E238 HydrophobicContact CG2-CG 4.23Å; F216-E238 HydrophobicContact CE1-CG 4.21Å; V234-E238 HydrophobicContact CG1-CG 4.18Å; V234-E238 WeakPolarHBondContact O-CG 3.43Å; V234-E238 PolarHBondContact O-N 2.97Å; E238-G240 PolarHBondContact O-N 3.08Å; E238-H241 WeakPolarHBondContact O-CA 3.32Å; E238-H241 WeakPolarHBondContact O-CB 3.22Å; E238-H241 PolarHBondContact O-N 3Å; E238-H241 IonicContact OE2-CD2 3.13Å; E238-A242 PolarHBondContact O-N 3.49Å
239	L	98.7	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-72	-10.1	175.8	-66.8	168	0	0	0	113	A156 L157 I178 I180 A235 H237 A242 L243	A156-L239 HydrophobicContact CB-CD1 3.83Å; L157-L239 HydrophobicContact CD2-CB 4.25Å; L157-L239 HydrophobicContact CD2-CD1 3.63Å; L157-L239 HydrophobicContact CD2-CD2 3.97Å; L157-L239 HydrophobicContact CD2-CG 4.17Å; L157-L239 HydrophobicContact CG-CD1 3.7Å; I178-L239 HydrophobicContact CD1-CD2 4.38Å; I178-L239 HydrophobicContact CG2-CD2 3.81Å; I180-L239 HydrophobicContact CD1-CD2 4.28Å; A235-L239 HydrophobicContact CB-CD1 4.45Å; A235-L239 WeakPolarHBondContact O-CB 3.44Å; A235-L239 VanDerWaalsContact O-CD1 3.24Å; A235-L239 WeakPolarHBondContact O-CD1 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.01Å; A235-L239 PolarHBondContact O-N 2.95Å; H237-L239 VanDerWaalsContact C-N 3.28Å; H237-L239 PolarHBondContact O-N 3.01Å; L239-A242 HydrophobicContact CD2-CB 4.17Å; L239-L243 WeakPolarHBondContact O-CB 3.39Å; L239-L243 VanDerWaalsContact O-CD1 3.3Å; L239-L243 WeakPolarHBondContact O-CD1 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.08Å; L239-L243 PolarHBondContact O-N 2.84Å
240	G	98.1	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.5	-45.1	162.8	0	0	0	0	0	111.8	A236 H237 E238 L243 G244 M245	A236-G240 PolarHBondContact O-N 3.36Å; H237-G240 WeakPolarHBondContact O-CA 3.49Å; H237-G240 PolarHBondContact O-N 2.71Å; E238-G240 PolarHBondContact O-N 3.08Å; G240-L243 CarbonylContact O-C 3.6Å; G240-L243 WeakPolarHBondContact O-CA 3.45Å; G240-L243 PolarHBondContact O-N 3Å; G240-G244 PolarHBondContact O-N 3.34Å; G240-M245 WeakPolarHBondContact O-CB 3.2Å; G240-M245 WeakPolarHBondContact O-CG 3.37Å; G240-M245 PolarHBondContact O-N 2.92Å
241	H	97.4	Very high	95.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.7	-46.3	171.9	-68.6	-46.9	0	0	0	111.9	Y119 A203 H237 E238 L243 G244 M245 H247 M255	Y119-H241 AromaticContact CZ-ND1 3.86Å; Y119-H241 WeakPolarHBondContact OH-CB 3.47Å; Y119-H241 PolarHBondContact OH-ND1 3.19Å; A203-H241 HydrophobicContact CB-CB 4.05Å; H237-H241 AromaticContact CD2-CD2 3.96Å; H237-H241 AromaticContact CD2-NE2 3.84Å; H237-H241 AromaticContact NE2-CD2 3.94Å; H237-H241 AromaticContact NE2-NE2 3.34Å; H237-H241 PolarHBondContact NE2-NE2 3.09Å; H237-H241 PolarHBondContact O-N 3.22Å; E238-H241 WeakPolarHBondContact O-CA 3.32Å; E238-H241 WeakPolarHBondContact O-CB 3.22Å; E238-H241 PolarHBondContact O-N 3Å; E238-H241 IonicContact OE2-CD2 3.13Å; H241-L243 PolarHBondContact O-N 3.29Å; H241-G244 PolarHBondContact O-N 3.42Å; H241-M245 PolarHBondContact ND1-O 3.46Å; H241-H247 AromaticContact CE1-CD2 3.49Å; H241-H247 PolarHBondContact CE1-CD2 3.39Å; H241-H247 VanDerWaalsContact CE1-CD2 3.49Å; H241-H247 AromaticContact CE1-NE2 3.78Å; H241-H247 AromaticContact NE2-CD2 3.36Å; H241-H247 PolarHBondContact NE2-CD2 3.27Å; H241-H247 AromaticContact NE2-NE2 3.24Å; H241-H247 PolarHBondContact NE2-NE2 3.47Å; H241-M255 VanDerWaalsContact CE1-CE 3.41Å; H241-M255 WeakPolarHBondContact CE1-CE 3.25Å
242	A	97.6	Very high	95.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-5.5	173.2	0	0	0	0	0	114.5	W128 I178 A203 G212 E238 L239	W128-A242 PolarHBondContact NE1-O 3.39Å; I178-A242 HydrophobicContact CD1-CB 3.93Å; I178-A242 HydrophobicContact CG1-CB 4.29Å; A203-A242 HydrophobicContact CB-CB 4.34Å; G212-A242 VanDerWaalsContact O-CB 3.31Å; G212-A242 WeakPolarHBondContact O-CB 3.45Å; E238-A242 PolarHBondContact O-N 3.49Å; L239-A242 HydrophobicContact CD2-CB 4.17Å
243	L	97.2	Very high	95.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-7	171.9	-70.2	174.4	0	0	0	113.8	W160 L166 F168 P206 L239 G240 H241 I275 Y279	W160-L243 HydrophobicContact CB-CD1 3.69Å; W160-L243 HydrophobicContact CD2-CD1 4.36Å; W160-L243 HydrophobicContact CG-CD1 3.69Å; L166-L243 HydrophobicContact CD1-CD1 3.87Å; L166-L243 HydrophobicContact CD1-CD2 3.69Å; L166-L243 HydrophobicContact CD1-CG 4.35Å; F168-L243 HydrophobicContact CE1-CD2 3.96Å; F168-L243 HydrophobicContact CZ-CD1 3.84Å; F168-L243 HydrophobicContact CZ-CD2 3.92Å; F168-L243 HydrophobicContact CZ-CG 4.43Å; P206-L243 VanDerWaalsContact CG-C 3.48Å; L239-L243 WeakPolarHBondContact O-CB 3.39Å; L239-L243 VanDerWaalsContact O-CD1 3.3Å; L239-L243 WeakPolarHBondContact O-CD1 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.08Å; L239-L243 PolarHBondContact O-N 2.84Å; G240-L243 CarbonylContact O-C 3.6Å; G240-L243 WeakPolarHBondContact O-CA 3.45Å; G240-L243 PolarHBondContact O-N 3Å; H241-L243 PolarHBondContact O-N 3.29Å; L243-I275 HydrophobicContact CB-CD1 3.94Å; L243-I275 HydrophobicContact CD1-CD1 4.35Å; L243-Y279 HydrophobicContact CB-CE2 4.24Å; L243-Y279 WeakPolarHBondContact O-CE2 3.35Å; L243-Y279 PolarHBondContact O-OH 3Å
244	G	94.1	Very high	95	Very high	10 Å²	10	11 Å²	11	10%	0.103	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	113	1.1	175.4	0	0	0	0	0	116.8	L126 G240 H241	L126-G244 WeakPolarHBondContact O-CA 3.4Å; G240-G244 PolarHBondContact O-N 3.34Å; H241-G244 PolarHBondContact O-N 3.42Å
245	M	94.6	Very high	94.9	Very high	16 Å²	16	10.7 Å²	10.7	8%	0.079	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-71	137.6	176.6	-58.6	-67	-77.9	0	0	110.1	Y119 W160 G240 H241 M255 D271 I275 L278	Y119-M245 VanDerWaalsContact CE1-O 3.25Å; Y119-M245 WeakPolarHBondContact CE1-O 3.15Å; Y119-M245 PolarHBondContact OH-O 2.92Å; W160-M245 HydrophobicContact CH2-CE 4.42Å; W160-M245 HydrophobicContact CH2-CG 4.33Å; W160-M245 HydrophobicContact CZ3-CE 4.48Å; G240-M245 WeakPolarHBondContact O-CB 3.2Å; G240-M245 WeakPolarHBondContact O-CG 3.37Å; G240-M245 PolarHBondContact O-N 2.92Å; H241-M245 PolarHBondContact ND1-O 3.46Å; M245-M255 HydrophobicContact CB-CE 3.94Å; M245-M255 HydrophobicContact CB-CG 3.99Å; M245-M255 HydrophobicContact CB-SD 4.01Å; M245-M255 HydrophobicContact CE-CG 4.06Å; M245-M255 HydrophobicContact CG-CG 4.38Å; M245-M255 HydrophobicContact CG-SD 4.45Å; M245-D271 WeakPolarHBondContact CE-O 3.36Å; M245-I275 HydrophobicContact CE-CB 4.39Å; M245-I275 HydrophobicContact CG-CD1 3.78Å; M245-I275 HydrophobicContact SD-CB 3.84Å; M245-I275 HydrophobicContact SD-CD1 3.75Å; M245-I275 HydrophobicContact SD-CG1 4.4Å; M245-I275 PolarHBondContact SD-N 3.44Å; M245-I275 VanDerWaalsContact SD-N 3.42Å; M245-L278 HydrophobicContact SD-CD1 4.4Å
246	S	92.8	Very high	94.7	Very high	57 Å²	57	12.7 Å²	12.7	40%	0.399	8%	0.078	S	C	.	.	P	Polyproline II helix	trans	-83.3	173.9	160.9	62.1	0	0	0	0	110.3
247	H	95.3	Very high	94.6	Very high	12 Å²	12	12.8 Å²	12.8	6%	0.056	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-59.8	150	164.3	-72.3	149.7	0	0	0	111.8	F89 R110 C111 V113 D115 H237 H241 M255	F89-H247 HydrophobicContact CE2-CB 4.45Å; F89-H247 HydrophobicContact CZ-CB 3.78Å; R110-H247 PolarHBondContact NH2-CE1 3.04Å; R110-H247 VanDerWaalsContact NH2-CE1 3.29Å; C111-H247 WeakPolarHBondContact CB-NE2 3.36Å; V113-H247 PolarHBondContact O-CE1 3.39Å; D115-H247 IonicContact OD1-CE1 3.49Å; D115-H247 PolarHBondContact OD1-CE1 3.07Å; D115-H247 IonicContact OD1-CG 3.76Å; D115-H247 IonicContact OD1-ND1 2.7Å; D115-H247 PolarHBondContact OD1-ND1 3.08Å; H237-H247 AromaticContact CE1-CD2 3.56Å; H237-H247 AromaticContact CE1-NE2 3.7Å; H237-H247 AromaticContact NE2-CD2 3.41Å; H237-H247 PolarHBondContact NE2-CD2 2.77Å; H237-H247 AromaticContact NE2-NE2 3.2Å; H237-H247 PolarHBondContact NE2-NE2 2.79Å; H241-H247 AromaticContact CE1-CD2 3.49Å; H241-H247 PolarHBondContact CE1-CD2 3.39Å; H241-H247 VanDerWaalsContact CE1-CD2 3.49Å; H241-H247 AromaticContact CE1-NE2 3.78Å; H241-H247 AromaticContact NE2-CD2 3.36Å; H241-H247 PolarHBondContact NE2-CD2 3.27Å; H241-H247 AromaticContact NE2-NE2 3.24Å; H241-H247 PolarHBondContact NE2-NE2 3.47Å; H247-M255 CarbonylContact C-O 3.55Å; H247-M255 VanDerWaalsContact CA-O 3.26Å; H247-M255 WeakPolarHBondContact CA-O 3.32Å
248	S	93.8	Very high	94.4	Very high	12 Å²	12	13 Å²	13	8%	0.084	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-101.5	152.6	170.2	-176.5	0	0	0	0	111.2	F89 D250 M255 D270	F89-S248 WeakPolarHBondContact CE1-O 3.33Å; F89-S248 VanDerWaalsContact CZ-O 3.25Å; F89-S248 WeakPolarHBondContact CZ-O 3.31Å; S248-D250 PolarHBondContact OG-N 2.04Å; S248-D250 VanDerWaalsContact OG-N 3.12Å; S248-M255 PolarHBondContact N-O 3.35Å; S248-D270 WeakPolarHBondContact CB-OD2 3.32Å; S248-D270 PolarHBondContact OG-OD2 2.79Å
249	S	91.3	Very high	94.2	Very high	53 Å²	53	14.8 Å²	14.8	37%	0.371	9%	0.088	S	C	.	.	S	Bend	trans	-88.7	-1.6	171.1	66.6	0	0	0	0	112.9	F89 K91	F89-S249 WeakPolarHBondContact O-CB 3.47Å; K91-S249 WeakPolarHBondContact CE-O 3.48Å; K91-S249 PolarHBondContact NZ-O 2.86Å
250	D	88.9	Confident	93.7	Very high	14 Å²	14	16.1 Å²	16.1	8%	0.075	10%	0.098	C	C	.	.			trans	-88.2	121	173.9	-175.2	29.6	0	0	0	112.2	S248 G252 A253 Y256 D293 A294	S248-D250 PolarHBondContact OG-N 2.04Å; S248-D250 VanDerWaalsContact OG-N 3.12Å; D250-G252 PolarHBondContact O-N 3.37Å; D250-G252 PolarHBondContact OD1-N 2.69Å; D250-G252 WeakPolarHBondContact OD2-CA 3.45Å; D250-G252 PolarHBondContact OD2-N 3.29Å; D250-A253 HydrophobicContact CB-CB 4.34Å; D250-A253 VanDerWaalsContact O-CB 3.3Å; D250-A253 WeakPolarHBondContact O-CB 3.01Å; D250-A253 PolarHBondContact O-N 3.08Å; D250-A253 PolarHBondContact OD2-N 3.08Å; D250-Y256 VanDerWaalsContact C-CD2 3.41Å; D250-Y256 WeakPolarHBondContact O-CB 3.45Å; D250-Y256 VanDerWaalsContact O-CD2 3.23Å; D250-Y256 WeakPolarHBondContact O-CD2 3.39Å; D250-D293 WeakPolarHBondContact OD2-CA 3.46Å; D250-D293 WeakPolarHBondContact OD2-CB 3.23Å; D250-A294 WeakPolarHBondContact OD1-CB 3.22Å; D250-A294 PolarHBondContact OD1-N 3.42Å; D250-A294 VanDerWaalsContact OD1-N 3.13Å; D250-A294 PolarHBondContact OD2-N 3.29Å
251	A	87.8	Confident	93.1	Very high	16 Å²	16	17.2 Å²	17.2	13%	0.132	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.6	170.2	0	0	0	0	0	112.5	Y256 K291 A294	A251-Y256 HydrophobicContact CB-CD1 4.37Å; A251-Y256 HydrophobicContact CB-CD2 4.42Å; A251-Y256 HydrophobicContact CB-CE1 4.05Å; A251-Y256 HydrophobicContact CB-CE2 4.13Å; A251-K291 PolarHBondContact O-NZ 3.09Å; A251-A294 HydrophobicContact CB-CB 4.43Å
252	G	87.4	Confident	92.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-23.3	166.3	0	0	0	0	0	114.4	D250 A268 K291	D250-G252 PolarHBondContact O-N 3.37Å; D250-G252 PolarHBondContact OD1-N 2.69Å; D250-G252 WeakPolarHBondContact OD2-CA 3.45Å; D250-G252 PolarHBondContact OD2-N 3.29Å; G252-A268 WeakPolarHBondContact O-CB 3.5Å; G252-K291 VanDerWaalsContact C-NZ 3.25Å; G252-K291 WeakPolarHBondContact O-CD 3.46Å; G252-K291 WeakPolarHBondContact O-CE 3.12Å; G252-K291 PolarHBondContact O-NZ 3.1Å
253	A	92.4	Very high	91.5	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.033	13%	0.131	C	C	.	.	S	Bend	trans	-66.3	162.6	177.9	0	0	0	0	0	113	D250 K291	D250-A253 HydrophobicContact CB-CB 4.34Å; D250-A253 VanDerWaalsContact O-CB 3.3Å; D250-A253 WeakPolarHBondContact O-CB 3.01Å; D250-A253 PolarHBondContact O-N 3.08Å; D250-A253 PolarHBondContact OD2-N 3.08Å; A253-K291 PolarHBondContact O-NZ 2.61Å
254	L	95.1	Very high	90.9	Very high	15 Å²	15	24.4 Å²	24.4	8%	0.079	16%	0.161	C	C	.	.	S	Bend	trans	-76.8	-38.3	157.1	171.8	63.2	0	0	0	109.8	W160 I233 A236 H237 Y256 P266 L267 D271	W160-L254 HydrophobicContact CH2-CD2 4.42Å; W160-L254 HydrophobicContact CZ2-CD2 3.87Å; I233-L254 HydrophobicContact CG2-CD1 4.43Å; A236-L254 HydrophobicContact CB-CD1 4.33Å; A236-L254 HydrophobicContact CB-CD2 3.66Å; H237-L254 HydrophobicContact CB-CD1 4.16Å; H237-L254 HydrophobicContact CB-CG 4.39Å; H237-L254 PolarHBondContact ND1-O 2.58Å; L254-Y256 PolarHBondContact O-N 2.98Å; L254-Y256 VanDerWaalsContact O-N 3.09Å; L254-P266 HydrophobicContact CD1-CB 4.28Å; L254-P266 HydrophobicContact CD2-CB 4.36Å; L254-P266 HydrophobicContact CD2-CG 4.2Å; L254-L267 HydrophobicContact CB-CD2 4.08Å; L254-L267 HydrophobicContact CD2-CD2 3.49Å; L254-L267 VanDerWaalsContact CD2-CD2 3.49Å; L254-L267 HydrophobicContact CG-CD2 4.43Å; L254-D271 VanDerWaalsContact N-CG 3.27Å; L254-D271 PolarHBondContact N-OD1 3.46Å; L254-D271 PolarHBondContact N-OD2 2.71Å
255	M	96.3	Very high	90.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-73	12	177.8	-62.2	-51.1	-50.8	0	0	114.5	W160 H237 H241 M245 H247 S248 D271	W160-M255 HydrophobicContact CH2-CG 4.13Å; W160-M255 HydrophobicContact CH2-SD 4.01Å; W160-M255 HydrophobicContact CZ2-SD 3.84Å; H237-M255 WeakPolarHBondContact O-CE 3.45Å; H241-M255 VanDerWaalsContact CE1-CE 3.41Å; H241-M255 WeakPolarHBondContact CE1-CE 3.25Å; M245-M255 HydrophobicContact CB-CE 3.94Å; M245-M255 HydrophobicContact CB-CG 3.99Å; M245-M255 HydrophobicContact CB-SD 4.01Å; M245-M255 HydrophobicContact CE-CG 4.06Å; M245-M255 HydrophobicContact CG-CG 4.38Å; M245-M255 HydrophobicContact CG-SD 4.45Å; H247-M255 CarbonylContact C-O 3.55Å; H247-M255 VanDerWaalsContact CA-O 3.26Å; H247-M255 WeakPolarHBondContact CA-O 3.32Å; S248-M255 PolarHBondContact N-O 3.35Å; M255-D271 WeakPolarHBondContact CG-OD1 3.49Å; M255-D271 PolarHBondContact N-OD1 2.88Å
256	Y	95	Very high	90.5	Very high	42 Å²	42	24.7 Å²	24.7	17%	0.165	16%	0.16	C	C	.	.			trans	-68.7	132.2	169.5	-167	-116.2	0	0	0	109.9	F90 H237 D250 A251 L254 V258	F90-Y256 HydrophobicContact CD1-CE2 4.44Å; F90-Y256 WeakPolarHBondContact CD1-OH 3.38Å; H237-Y256 PolarHBondContact CE1-O 2.81Å; H237-Y256 PolarHBondContact ND1-O 2.89Å; D250-Y256 VanDerWaalsContact C-CD2 3.41Å; D250-Y256 WeakPolarHBondContact O-CB 3.45Å; D250-Y256 VanDerWaalsContact O-CD2 3.23Å; D250-Y256 WeakPolarHBondContact O-CD2 3.39Å; A251-Y256 HydrophobicContact CB-CD1 4.37Å; A251-Y256 HydrophobicContact CB-CD2 4.42Å; A251-Y256 HydrophobicContact CB-CE1 4.05Å; A251-Y256 HydrophobicContact CB-CE2 4.13Å; L254-Y256 PolarHBondContact O-N 2.98Å; L254-Y256 VanDerWaalsContact O-N 3.09Å; Y256-V258 VanDerWaalsContact C-N 3.34Å; Y256-V258 HydrophobicContact CD1-CB 4.06Å; Y256-V258 HydrophobicContact CE1-CB 3.87Å; Y256-V258 HydrophobicContact CE1-CG2 4.49Å; Y256-V258 PolarHBondContact O-N 3.04Å
257	P	96	Very high	90.5	Very high	2 Å²	2	22 Å²	22	1%	0.013	14%	0.141	C	C	.	.	S	Bend	trans	-63.7	-35	-170.5	20.9	-32.7	0	0	0	114.1	F89 F90 R110 C111	F89-P257 HydrophobicContact CE1-CG 3.8Å; F89-P257 HydrophobicContact CZ-CG 4.46Å; F90-P257 HydrophobicContact CE1-CG 3.85Å; F90-P257 HydrophobicContact CZ-CG 3.62Å; R110-P257 CarbonylContact C-O 3.42Å; R110-P257 WeakPolarHBondContact CA-O 3.37Å; R110-P257 WeakPolarHBondContact CB-O 3.36Å; C111-P257 PolarHBondContact N-O 2.92Å
258	V	95.1	Very high	90.3	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.097	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-81.2	131.4	-177	170	0	0	0	0	110.5	F90 L108 R110 Y256 S260	F90-V258 HydrophobicContact CE1-CG2 3.87Å; F90-V258 HydrophobicContact CZ-CG2 4.37Å; L108-V258 HydrophobicContact CB-CG1 3.74Å; L108-V258 HydrophobicContact CB-CG2 4.19Å; L108-V258 HydrophobicContact CD1-CG1 3.9Å; L108-V258 HydrophobicContact CG-CG1 4.44Å; R110-V258 HydrophobicContact CB-CG2 4.35Å; Y256-V258 VanDerWaalsContact C-N 3.34Å; Y256-V258 HydrophobicContact CD1-CB 4.06Å; Y256-V258 HydrophobicContact CE1-CB 3.87Å; Y256-V258 HydrophobicContact CE1-CG2 4.49Å; Y256-V258 PolarHBondContact O-N 3.04Å; V258-S260 PolarHBondContact O-N 3.17Å
259	Y	93.8	Very high	90.1	Very high	40 Å²	40	24.6 Å²	24.6	16%	0.157	15%	0.152	C	C	.	.			trans	-62.7	130.2	-178.4	171.5	-103.9	0	0	0	112.1	P109 L200 A228 Y229 N230 I233 V234	P109-Y259 PolarHBondContact O-N 3.03Å; L200-Y259 HydrophobicContact CD1-CD2 4.04Å; L200-Y259 HydrophobicContact CD1-CG 3.82Å; A228-Y259 PolarHBondContact O-OH 3Å; Y229-Y259 AromaticContact CD1-CD1 3.59Å; Y229-Y259 HydrophobicContact CD1-CD1 3.59Å; Y229-Y259 HydrophobicContact CD1-CD2 4.4Å; Y229-Y259 AromaticContact CD1-CE1 3.59Å; Y229-Y259 HydrophobicContact CD1-CE1 3.59Å; Y229-Y259 HydrophobicContact CD1-CE2 4.41Å; Y229-Y259 AromaticContact CD1-CG 4Å; Y229-Y259 HydrophobicContact CD1-CG 4Å; Y229-Y259 AromaticContact CE1-CD1 3.68Å; Y229-Y259 HydrophobicContact CE1-CD1 3.68Å; Y229-Y259 AromaticContact CE1-CE1 3.98Å; Y229-Y259 HydrophobicContact CE1-CE1 3.98Å; Y229-Y259 HydrophobicContact CE1-CG 4.28Å; N230-Y259 WeakPolarHBondContact CB-OH 3.31Å; N230-Y259 PolarHBondContact N-OH 3.02Å; I233-Y259 HydrophobicContact CB-CE2 4.36Å; I233-Y259 HydrophobicContact CG2-CD2 4.48Å; I233-Y259 HydrophobicContact CG2-CE2 4.15Å; V234-Y259 HydrophobicContact CG2-CD2 3.81Å; V234-Y259 HydrophobicContact CG2-CE2 3.9Å
260	S	87.2	Confident	90.2	Very high	29 Å²	29	25.2 Å²	25.2	20%	0.203	15%	0.151	C	C	.	.			trans	-141.1	127.9	172.8	-171.6	0	0	0	0	111.6	V258 A262 L336 S339	V258-S260 PolarHBondContact O-N 3.17Å; S260-A262 PolarHBondContact O-N 2.94Å; S260-L336 WeakPolarHBondContact OG-CD1 3.23Å; S260-S339 WeakPolarHBondContact CA-OG 3.21Å; S260-S339 WeakPolarHBondContact OG-CB 3.37Å; S260-S339 PolarHBondContact OG-OG 2.92Å
261	F	86.6	Confident	90.5	Very high	23 Å²	23	24.6 Å²	24.6	10%	0.101	15%	0.147	C	C	.	.			trans	-76.3	126.2	-177.8	177.7	-102.5	0	0	0	112.2	D225 N230 T263 P342	D225-F261 WeakPolarHBondContact O-CE2 3.46Å; N230-F261 HydrophobicContact CB-CD2 4Å; N230-F261 HydrophobicContact CB-CE2 4.2Å; F261-T263 HydrophobicContact CE1-CG2 3.52Å; F261-T263 HydrophobicContact CZ-CG2 3.74Å; F261-P342 HydrophobicContact CD1-CB 4.27Å; F261-P342 HydrophobicContact CD1-CG 4.41Å; F261-P342 HydrophobicContact CE1-CB 4.38Å
262	A	80.1	Confident	90.8	Very high	24 Å²	24	24.4 Å²	24.4	20%	0.198	14%	0.144	C	C	.	.			trans	-130.1	136.2	-179.1	0	0	0	0	0	113.1	I233 S260	I233-A262 HydrophobicContact CD1-CB 4.47Å; S260-A262 PolarHBondContact O-N 2.94Å
263	T	81.5	Confident	91.1	Very high	65 Å²	65	31 Å²	31	40%	0.399	18%	0.175	S	C	.	.			trans	-102	118.7	174.4	61.6	0	0	0	0	111.6	F261	F261-T263 HydrophobicContact CE1-CG2 3.52Å; F261-T263 HydrophobicContact CZ-CG2 3.74Å
264	G	84.5	Confident	91.2	Very high	62 Å²	62	32.1 Å²	32.1	64%	0.639	19%	0.187	S	C	*	.	S	Bend	trans	135.8	-136.9	171.9	0	0	0	0	0	113
265	F	87.3	Confident	91.2	Very high	25 Å²	25	31.4 Å²	31.4	11%	0.11	18%	0.183	C	C	.	.			trans	-85.4	133.3	160.7	-173.6	-122.9	0	0	0	107.9	V159 V163 L267 I272 R288	V159-F265 HydrophobicContact CB-CE2 4.19Å; V159-F265 HydrophobicContact CG1-CD2 4.43Å; V159-F265 HydrophobicContact CG1-CE2 3.74Å; V159-F265 HydrophobicContact CG1-CZ 4.22Å; V159-F265 HydrophobicContact CG2-CD2 4.36Å; V159-F265 HydrophobicContact CG2-CE2 4.19Å; V163-F265 HydrophobicContact CG1-CE1 4.37Å; V163-F265 HydrophobicContact CG1-CZ 3.92Å; F265-L267 HydrophobicContact CD1-CB 4.41Å; F265-L267 HydrophobicContact CE1-CB 3.8Å; F265-L267 HydrophobicContact CE1-CD1 4.19Å; F265-L267 HydrophobicContact CE1-CG 4.05Å; F265-L267 HydrophobicContact CE2-CG 4.43Å; F265-L267 HydrophobicContact CZ-CB 4.11Å; F265-L267 HydrophobicContact CZ-CD1 3.74Å; F265-L267 HydrophobicContact CZ-CG 3.82Å; F265-I272 HydrophobicContact CE1-CD1 4.38Å; F265-R288 HydrophobicContact CD1-CB 4.08Å; F265-R288 VanDerWaalsContact CD2-CD 3.47Å; F265-R288 VanDerWaalsContact CD2-NH1 3.26Å; F265-R288 HydrophobicContact CE1-CB 4.26Å; F265-R288 HydrophobicContact CG-CB 4.39Å
266	P	91.6	Very high	91.1	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.039	20%	0.196	C	C	.	.			trans	-89.4	-28	-168.1	33.5	-35.7	0	0	0	114.7	V159 F232 I233 L254 K291	V159-P266 HydrophobicContact CB-CG 4.46Å; V159-P266 HydrophobicContact CG1-CG 3.76Å; V159-P266 HydrophobicContact CG2-CG 3.84Å; F232-P266 HydrophobicContact CZ-CG 4.23Å; I233-P266 HydrophobicContact CD1-CB 4.37Å; L254-P266 HydrophobicContact CD1-CB 4.28Å; L254-P266 HydrophobicContact CD2-CB 4.36Å; L254-P266 HydrophobicContact CD2-CG 4.2Å; P266-K291 WeakPolarHBondContact O-CD 3.49Å
267	L	93.1	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.221	C	C	.	.			trans	-66.1	135.5	-176.2	-54	-172.1	0	0	0	112	V159 W160 V163 L254 F265 D271 I272 P290 K291	V159-L267 HydrophobicContact CG1-CD1 3.85Å; V159-L267 HydrophobicContact CG1-CD2 3.56Å; V159-L267 HydrophobicContact CG1-CG 3.46Å; V159-L267 VanDerWaalsContact CG1-CG 3.46Å; W160-L267 HydrophobicContact CD2-CD2 4.47Å; W160-L267 HydrophobicContact CE3-CD1 3.98Å; W160-L267 HydrophobicContact CE3-CD2 4.09Å; W160-L267 HydrophobicContact CH2-CD2 3.61Å; W160-L267 HydrophobicContact CZ2-CD2 4Å; W160-L267 HydrophobicContact CZ3-CD1 4Å; W160-L267 HydrophobicContact CZ3-CD2 3.66Å; W160-L267 HydrophobicContact CZ3-CG 4.5Å; V163-L267 HydrophobicContact CG1-CD1 4.33Å; V163-L267 HydrophobicContact CG2-CD1 3.66Å; L254-L267 HydrophobicContact CB-CD2 4.08Å; L254-L267 HydrophobicContact CD2-CD2 3.49Å; L254-L267 VanDerWaalsContact CD2-CD2 3.49Å; L254-L267 HydrophobicContact CG-CD2 4.43Å; F265-L267 HydrophobicContact CD1-CB 4.41Å; F265-L267 HydrophobicContact CE1-CB 3.8Å; F265-L267 HydrophobicContact CE1-CD1 4.19Å; F265-L267 HydrophobicContact CE1-CG 4.05Å; F265-L267 HydrophobicContact CE2-CG 4.43Å; F265-L267 HydrophobicContact CZ-CB 4.11Å; F265-L267 HydrophobicContact CZ-CD1 3.74Å; F265-L267 HydrophobicContact CZ-CG 3.82Å; L267-D271 WeakPolarHBondContact CA-OD2 3.47Å; L267-D271 HydrophobicContact CB-CB 4.04Å; L267-D271 HydrophobicContact CD2-CB 3.85Å; L267-D271 HydrophobicContact CG-CB 4.35Å; L267-I272 HydrophobicContact CB-CD1 4.2Å; L267-I272 HydrophobicContact CB-CG1 3.94Å; L267-I272 HydrophobicContact CD1-CG1 3.83Å; L267-P290 CarbonylContact O-C 3.5Å; L267-P290 WeakPolarHBondContact O-CA 3.27Å; L267-K291 WeakPolarHBondContact O-CB 3.43Å; L267-K291 PolarHBondContact O-N 3.4Å
268	A	91.9	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.226	C	C	.	.			trans	-85.3	-174.5	160.7	0	0	0	0	0	111.4	G252 D271 I272 K291 D293	G252-A268 WeakPolarHBondContact O-CB 3.5Å; A268-D271 PolarHBondContact N-OD2 3.07Å; A268-I272 WeakPolarHBondContact O-CD1 3.41Å; A268-I272 VanDerWaalsContact O-CG1 3.25Å; A268-I272 WeakPolarHBondContact O-CG1 3.44Å; A268-I272 PolarHBondContact O-N 2.9Å; A268-K291 VanDerWaalsContact CA-O 3.32Å; A268-K291 WeakPolarHBondContact CA-O 3.1Å; A268-K291 HydrophobicContact CB-CB 4.22Å; A268-D293 WeakPolarHBondContact CB-OD1 3.29Å
269	E	90.3	Very high	91	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-74.1	-36.2	179.7	-156.9	67.2	-163.6	0	0	110.6	D271 I272 E273 P290 D293	E269-D271 PolarHBondContact O-N 3.32Å; E269-I272 CarbonylContact O-C 3.48Å; E269-I272 WeakPolarHBondContact O-CA 3.3Å; E269-I272 WeakPolarHBondContact O-CB 3.48Å; E269-I272 PolarHBondContact O-N 3.33Å; E269-E273 HydrophobicContact CG-CG 4.42Å; E269-E273 PolarHBondContact O-N 2.91Å; E269-P290 WeakPolarHBondContact OE2-CG 2.94Å; E269-D293 PolarHBondContact N-OD1 3.08Å
270	D	91.4	Very high	91	Very high	67 Å²	67	36.3 Å²	36.3	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-52.4	-46.6	173.5	-178.5	75	0	0	0	113	S248 I272 G274	S248-D270 WeakPolarHBondContact CB-OD2 3.32Å; S248-D270 PolarHBondContact OG-OD2 2.79Å; D270-I272 VanDerWaalsContact C-N 3.29Å; D270-I272 PolarHBondContact O-N 2.74Å; D270-G274 PolarHBondContact O-N 3.04Å
271	D	95.8	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-36	175.9	-54	-73.2	0	0	0	112.2	W160 M245 L254 M255 L267 A268 E269 I275	W160-D271 HydrophobicContact CH2-CB 4.12Å; W160-D271 HydrophobicContact CZ3-CB 4.16Å; M245-D271 WeakPolarHBondContact CE-O 3.36Å; L254-D271 VanDerWaalsContact N-CG 3.27Å; L254-D271 PolarHBondContact N-OD1 3.46Å; L254-D271 PolarHBondContact N-OD2 2.71Å; M255-D271 WeakPolarHBondContact CG-OD1 3.49Å; M255-D271 PolarHBondContact N-OD1 2.88Å; L267-D271 WeakPolarHBondContact CA-OD2 3.47Å; L267-D271 HydrophobicContact CB-CB 4.04Å; L267-D271 HydrophobicContact CD2-CB 3.85Å; L267-D271 HydrophobicContact CG-CB 4.35Å; A268-D271 PolarHBondContact N-OD2 3.07Å; E269-D271 PolarHBondContact O-N 3.32Å; D271-I275 WeakPolarHBondContact O-CB 3.37Å; D271-I275 VanDerWaalsContact O-CG2 3.28Å; D271-I275 WeakPolarHBondContact O-CG2 3.28Å; D271-I275 PolarHBondContact O-N 3.24Å; D271-I275 VanDerWaalsContact O-N 3.08Å
272	I	94.8	Very high	91.8	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-74.7	-45.9	-176.7	-67.5	169.3	0	0	0	110.2	V163 F265 L267 A268 E269 D270 Q276 P290	V163-I272 HydrophobicContact CB-CG2 4.5Å; V163-I272 HydrophobicContact CG1-CD1 4.32Å; V163-I272 HydrophobicContact CG1-CG1 4.22Å; F265-I272 HydrophobicContact CE1-CD1 4.38Å; L267-I272 HydrophobicContact CB-CD1 4.2Å; L267-I272 HydrophobicContact CB-CG1 3.94Å; L267-I272 HydrophobicContact CD1-CG1 3.83Å; A268-I272 WeakPolarHBondContact O-CD1 3.41Å; A268-I272 VanDerWaalsContact O-CG1 3.25Å; A268-I272 WeakPolarHBondContact O-CG1 3.44Å; A268-I272 PolarHBondContact O-N 2.9Å; E269-I272 CarbonylContact O-C 3.48Å; E269-I272 WeakPolarHBondContact O-CA 3.3Å; E269-I272 WeakPolarHBondContact O-CB 3.48Å; E269-I272 PolarHBondContact O-N 3.33Å; D270-I272 VanDerWaalsContact C-N 3.29Å; D270-I272 PolarHBondContact O-N 2.74Å; I272-Q276 HydrophobicContact CG2-CG 4.42Å; I272-Q276 VanDerWaalsContact O-CB 3.24Å; I272-Q276 WeakPolarHBondContact O-CB 3.35Å; I272-Q276 WeakPolarHBondContact O-CG 3.15Å; I272-Q276 PolarHBondContact O-N 3.25Å; I272-P290 HydrophobicContact CD1-CB 4.16Å; I272-P290 HydrophobicContact CD1-CG 3.93Å
273	E	93.1	Very high	92.2	Very high	138 Å²	138	42.8 Å²	42.8	65%	0.645	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-46.4	175.1	-69.1	-161.1	163.6	0	0	110.7	E269 Q276 A277	E269-E273 HydrophobicContact CG-CG 4.42Å; E269-E273 PolarHBondContact O-N 2.91Å; E273-Q276 PolarHBondContact O-N 2.94Å; E273-A277 WeakPolarHBondContact O-CB 3.34Å; E273-A277 PolarHBondContact O-N 3.37Å
274	G	93.8	Very high	92.6	Very high	27 Å²	27	46 Å²	46	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-48.7	179.1	0	0	0	0	0	113.4	D270 Q276 A277 L278	D270-G274 PolarHBondContact O-N 3.04Å; G274-Q276 VanDerWaalsContact C-N 3.35Å; G274-Q276 PolarHBondContact O-N 3.34Å; G274-A277 WeakPolarHBondContact O-CB 3.04Å; G274-A277 PolarHBondContact O-N 3.16Å; G274-L278 PolarHBondContact O-N 3.03Å
275	I	95.9	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.8	-32	-179.5	-160.1	73.6	0	0	0	111.9	W160 V163 T164 L243 M245 D271 L278 Y279	W160-I275 HydrophobicContact CE3-CB 3.94Å; W160-I275 HydrophobicContact CE3-CD1 4.11Å; W160-I275 HydrophobicContact CE3-CG1 3.76Å; W160-I275 HydrophobicContact CE3-CG2 3.96Å; W160-I275 HydrophobicContact CZ3-CB 3.86Å; W160-I275 HydrophobicContact CZ3-CD1 4.36Å; W160-I275 HydrophobicContact CZ3-CG1 4.13Å; W160-I275 HydrophobicContact CZ3-CG2 4.01Å; V163-I275 HydrophobicContact CG2-CG2 3.94Å; T164-I275 HydrophobicContact CG2-CB 4.25Å; T164-I275 HydrophobicContact CG2-CG1 3.58Å; T164-I275 HydrophobicContact CG2-CG2 3.76Å; L243-I275 HydrophobicContact CB-CD1 3.94Å; L243-I275 HydrophobicContact CD1-CD1 4.35Å; M245-I275 HydrophobicContact CE-CB 4.39Å; M245-I275 HydrophobicContact CG-CD1 3.78Å; M245-I275 HydrophobicContact SD-CB 3.84Å; M245-I275 HydrophobicContact SD-CD1 3.75Å; M245-I275 HydrophobicContact SD-CG1 4.4Å; M245-I275 PolarHBondContact SD-N 3.44Å; M245-I275 VanDerWaalsContact SD-N 3.42Å; D271-I275 WeakPolarHBondContact O-CB 3.37Å; D271-I275 VanDerWaalsContact O-CG2 3.28Å; D271-I275 WeakPolarHBondContact O-CG2 3.28Å; D271-I275 PolarHBondContact O-N 3.24Å; D271-I275 VanDerWaalsContact O-N 3.08Å; I275-L278 PolarHBondContact O-N 2.83Å; I275-Y279 HydrophobicContact CD1-CD2 3.97Å; I275-Y279 HydrophobicContact CD1-CE2 3.93Å; I275-Y279 HydrophobicContact CG1-CD2 4.1Å; I275-Y279 PolarHBondContact O-N 3.41Å
276	Q	95.5	Very high	92.1	Very high	61 Å²	61	53.7 Å²	53.7	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-74.6	-26.7	174.6	-69.3	-175.6	13	0	0	112.7	V163 I272 E273 G274 L278 G280 P281	V163-Q276 PolarHBondContact O-NE2 3.41Å; I272-Q276 HydrophobicContact CG2-CG 4.42Å; I272-Q276 VanDerWaalsContact O-CB 3.24Å; I272-Q276 WeakPolarHBondContact O-CB 3.35Å; I272-Q276 WeakPolarHBondContact O-CG 3.15Å; I272-Q276 PolarHBondContact O-N 3.25Å; E273-Q276 PolarHBondContact O-N 2.94Å; G274-Q276 VanDerWaalsContact C-N 3.35Å; G274-Q276 PolarHBondContact O-N 3.34Å; Q276-L278 PolarHBondContact O-N 3.2Å; Q276-G280 WeakPolarHBondContact O-CA 3.28Å; Q276-G280 PolarHBondContact O-N 3Å; Q276-P281 HydrophobicContact CG-CB 4.45Å
277	A	93.9	Very high	91.4	Very high	82 Å²	82	64 Å²	64	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-63.9	-28.7	169.3	0	0	0	0	0	112.3	E273 G274	E273-A277 WeakPolarHBondContact O-CB 3.34Å; E273-A277 PolarHBondContact O-N 3.37Å; G274-A277 WeakPolarHBondContact O-CB 3.04Å; G274-A277 PolarHBondContact O-N 3.16Å
278	L	93.1	Very high	90.7	Very high	23 Å²	23	69.1 Å²	69.1	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-82.6	-50	174.3	-64.1	177.4	0	0	0	112.8	H125 K127 M245 G274 I275 Q276	H125-L278 HydrophobicContact CB-CD2 4.1Å; K127-L278 HydrophobicContact CD-CB 4.42Å; K127-L278 WeakPolarHBondContact CD-O 3.44Å; K127-L278 WeakPolarHBondContact CE-O 3.18Å; K127-L278 PolarHBondContact NZ-O 3.1Å; M245-L278 HydrophobicContact SD-CD1 4.4Å; G274-L278 PolarHBondContact O-N 3.03Å; I275-L278 PolarHBondContact O-N 2.83Å; Q276-L278 PolarHBondContact O-N 3.2Å
279	Y	95.5	Very high	90.2	Very high	16 Å²	16	77.9 Å²	77.9	6%	0.063	41%	0.405	C	S	.	.	H	α-helix	trans	-114.5	-10.3	-167.5	-62	-78.6	0	0	0	115.7	K127 W128 P165 L166 L243 I275	K127-Y279 WeakPolarHBondContact CA-OH 3.24Å; K127-Y279 HydrophobicContact CB-CE1 3.91Å; K127-Y279 HydrophobicContact CB-CE2 4.37Å; K127-Y279 WeakPolarHBondContact CB-OH 3.08Å; K127-Y279 HydrophobicContact CD-CD1 4.47Å; K127-Y279 HydrophobicContact CD-CE1 4.26Å; W128-Y279 HydrophobicContact CB-CE1 4.34Å; W128-Y279 PolarHBondContact N-OH 2.85Å; W128-Y279 VanDerWaalsContact N-OH 3.08Å; P165-Y279 WeakPolarHBondContact CD-O 3.42Å; P165-Y279 WeakPolarHBondContact CG-O 3.32Å; L166-Y279 HydrophobicContact CD1-CD1 4.33Å; L166-Y279 HydrophobicContact CD1-CD2 3.94Å; L166-Y279 HydrophobicContact CD1-CE1 4.43Å; L166-Y279 HydrophobicContact CD1-CE2 4.07Å; L166-Y279 HydrophobicContact CD1-CG 4.07Å; L166-Y279 HydrophobicContact CD2-CD1 3.57Å; L166-Y279 HydrophobicContact CD2-CE1 3.78Å; L166-Y279 HydrophobicContact CD2-CG 4.03Å; L166-Y279 HydrophobicContact CG-CD1 4.17Å; L166-Y279 HydrophobicContact CG-CD2 4.48Å; L166-Y279 HydrophobicContact CG-CG 4.11Å; L243-Y279 HydrophobicContact CB-CE2 4.24Å; L243-Y279 WeakPolarHBondContact O-CE2 3.35Å; L243-Y279 PolarHBondContact O-OH 3Å; I275-Y279 HydrophobicContact CD1-CD2 3.97Å; I275-Y279 HydrophobicContact CD1-CE2 3.93Å; I275-Y279 HydrophobicContact CG1-CD2 4.1Å; I275-Y279 PolarHBondContact O-N 3.41Å
280	G	94.8	Very high	89.7	Confident	23 Å²	23	76.7 Å²	76.7	24%	0.237	41%	0.405	C	S	.	.			trans	80.3	167.2	-169.4	0	0	0	0	0	113.6	P165 Q276	P165-G280 WeakPolarHBondContact CD-O 3.49Å; Q276-G280 WeakPolarHBondContact O-CA 3.28Å; Q276-G280 PolarHBondContact O-N 3Å
281	P	95.6	Very high	89.2	Confident	85 Å²	85	74.4 Å²	74.4	55%	0.552	39%	0.391	S	S	*	.			trans	-68.8	151.2	176.4	27.7	-34.9	0	0	0	112.7	Q276	Q276-P281 HydrophobicContact CG-CB 4.45Å
282	N	93.5	Very high	88.2	Confident	29 Å²	29	76.9 Å²	76.9	16%	0.155	41%	0.407	C	S	.	.			trans	-59.6	125.5	169.1	-170.3	-42.6	0	0	0	110.1	A161 V163 T164 N284 P285	A161-N282 PolarHBondContact O-ND2 3.18Å; V163-N282 PolarHBondContact O-N 3.04Å; T164-N282 WeakPolarHBondContact O-CA 3.11Å; T164-N282 WeakPolarHBondContact O-CB 3.17Å; T164-N282 VanDerWaalsContact O-CG 3.29Å; T164-N282 PolarHBondContact O-ND2 3.28Å; T164-N282 VanDerWaalsContact O-ND2 3.11Å; N282-N284 PolarHBondContact O-N 3.04Å; N282-N284 VanDerWaalsContact OD1-C 3.27Å; N282-N284 WeakPolarHBondContact OD1-CA 3.42Å; N282-N284 PolarHBondContact OD1-N 2.64Å; N282-N284 PolarHBondContact OD1-O 2.96Å; N282-P285 WeakPolarHBondContact O-CD 3.24Å
283	P	89.9	Confident	87.6	Confident	97 Å²	97	79.9 Å²	79.9	63%	0.63	42%	0.424	S	S	*	.	S	Bend	trans	-70	-13.7	179.7	28.3	-36.1	0	0	0	114.3
284	N	89.1	Confident	87.2	Confident	134 Å²	134	74.2 Å²	74.2	72%	0.717	40%	0.4	S	S	*	.	S	Bend	trans	-128.9	64.2	174.9	-65.3	-81.1	0	0	0	109.8	N282 R286	N282-N284 PolarHBondContact O-N 3.04Å; N282-N284 VanDerWaalsContact OD1-C 3.27Å; N282-N284 WeakPolarHBondContact OD1-CA 3.42Å; N282-N284 PolarHBondContact OD1-N 2.64Å; N282-N284 PolarHBondContact OD1-O 2.96Å; N284-R286 PolarHBondContact O-N 2.94Å
285	P	80.3	Confident	87.1	Confident	93 Å²	93	74 Å²	74	60%	0.604	39%	0.394	S	S	*	.			trans	-66.7	131.9	-167.6	28.6	-34	0	0	0	111.3	N282	N282-P285 WeakPolarHBondContact O-CD 3.24Å
286	R	80.6	Confident	86.9	Confident	155 Å²	155	78.6 Å²	78.6	59%	0.585	42%	0.419	S	S	*	.			trans	-73.3	137.6	171.6	-66.5	-168	179.3	146.3	-3.9	109.2	D162 N284 R288	D162-R286 VanDerWaalsContact CG-NH1 3.32Å; D162-R286 VanDerWaalsContact OD1-CD 3.24Å; D162-R286 WeakPolarHBondContact OD1-CD 3.16Å; D162-R286 IonicContact OD1-CZ 2.8Å; D162-R286 IonicContact OD1-NE 2.91Å; D162-R286 PolarHBondContact OD1-NE 3.04Å; D162-R286 IonicContact OD1-NH1 3.82Å; D162-R286 PolarHBondContact OD1-NH1 2.56Å; D162-R286 IonicContact OD2-NH1 2.65Å; D162-R286 PolarHBondContact OD2-NH1 3.12Å; D162-R286 VanDerWaalsContact OD2-NH1 3.14Å; N284-R286 PolarHBondContact O-N 2.94Å; R286-R288 VanDerWaalsContact C-N 3.25Å; R286-R288 HydrophobicContact CB-CG 4.39Å; R286-R288 PolarHBondContact O-N 2.75Å
287	K	76.5	Confident	86.6	Confident	221 Å²	221	77.7 Å²	77.7	96%	0.961	41%	0.414	S	S	*	.			trans	-68.5	82.8	173.1	-71.3	-168.6	176.8	-172.9	0	111
288	R	80.2	Confident	86.5	Confident	108 Å²	108	76.6 Å²	76.6	41%	0.408	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-99.3	156.6	167.2	-64.6	-178.2	166	-83.3	7	108.8	D162 F265 R286	D162-R288 IonicContact OD2-CZ 2.65Å; D162-R288 IonicContact OD2-NE 3.83Å; D162-R288 PolarHBondContact OD2-NE 3.4Å; D162-R288 IonicContact OD2-NH2 2.85Å; D162-R288 PolarHBondContact OD2-NH2 3.26Å; F265-R288 HydrophobicContact CD1-CB 4.08Å; F265-R288 VanDerWaalsContact CD2-CD 3.47Å; F265-R288 VanDerWaalsContact CD2-NH1 3.26Å; F265-R288 HydrophobicContact CE1-CB 4.26Å; F265-R288 HydrophobicContact CG-CB 4.39Å; R286-R288 VanDerWaalsContact C-N 3.25Å; R286-R288 HydrophobicContact CB-CG 4.39Å; R286-R288 PolarHBondContact O-N 2.75Å
289	K	80.3	Confident	86.5	Confident	184 Å²	184	78.6 Å²	78.6	80%	0.8	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-100.9	130.7	160.9	-71.6	-165.8	172.4	-163.2	0	107.2
290	P	80.4	Confident	86.4	Confident	55 Å²	55	81.2 Å²	81.2	36%	0.357	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-55.7	162.2	165.9	-19.5	29.1	0	0	0	111.9	L267 E269 I272	L267-P290 CarbonylContact O-C 3.5Å; L267-P290 WeakPolarHBondContact O-CA 3.27Å; E269-P290 WeakPolarHBondContact OE2-CG 2.94Å; I272-P290 HydrophobicContact CD1-CB 4.16Å; I272-P290 HydrophobicContact CD1-CG 3.93Å
291	K	80	Confident	86.3	Confident	18 Å²	18	85.5 Å²	85.5	8%	0.078	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.2	155.6	-179.9	-178.2	163.3	-162	0	107.3	A251 G252 A253 P266 L267 A268	A251-K291 PolarHBondContact O-NZ 3.09Å; G252-K291 VanDerWaalsContact C-NZ 3.25Å; G252-K291 WeakPolarHBondContact O-CD 3.46Å; G252-K291 WeakPolarHBondContact O-CE 3.12Å; G252-K291 PolarHBondContact O-NZ 3.1Å; A253-K291 PolarHBondContact O-NZ 2.61Å; P266-K291 WeakPolarHBondContact O-CD 3.49Å; L267-K291 WeakPolarHBondContact O-CB 3.43Å; L267-K291 PolarHBondContact O-N 3.4Å; A268-K291 VanDerWaalsContact CA-O 3.32Å; A268-K291 WeakPolarHBondContact CA-O 3.1Å; A268-K291 HydrophobicContact CB-CB 4.22Å
292	P	76.4	Confident	86.3	Confident	52 Å²	52	82 Å²	82	34%	0.338	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-67.6	139.2	170.3	29	-33.3	0	0	0	109.6	F321	P292-F321 HydrophobicContact CG-CE2 4.3Å; P292-F321 WeakPolarHBondContact O-CZ 3.26Å
293	D	80.5	Confident	86.4	Confident	76 Å²	76	81.7 Å²	81.7	41%	0.406	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.8	160.1	170.2	-37.9	-59.3	0	0	0	109.8	D250 A268 E269 F321	D250-D293 WeakPolarHBondContact OD2-CA 3.46Å; D250-D293 WeakPolarHBondContact OD2-CB 3.23Å; A268-D293 WeakPolarHBondContact CB-OD1 3.29Å; E269-D293 PolarHBondContact N-OD1 3.08Å; D293-F321 WeakPolarHBondContact O-CE2 3.29Å
294	A	86.3	Confident	86.8	Confident	19 Å²	19	77 Å²	77	16%	0.157	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-71.2	131.8	-178.1	0	0	0	0	0	111.7	D250 A251 F321	D250-A294 WeakPolarHBondContact OD1-CB 3.22Å; D250-A294 PolarHBondContact OD1-N 3.42Å; D250-A294 VanDerWaalsContact OD1-N 3.13Å; D250-A294 PolarHBondContact OD2-N 3.29Å; A251-A294 HydrophobicContact CB-CB 4.43Å; A294-F321 HydrophobicContact CB-CD1 4.16Å; A294-F321 HydrophobicContact CB-CE1 3.75Å; A294-F321 HydrophobicContact CB-CE2 4.41Å; A294-F321 HydrophobicContact CB-CZ 3.89Å
295	P	91.1	Very high	87.2	Confident	22 Å²	22	70.9 Å²	70.9	14%	0.143	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-63.6	140.4	-178.2	24.4	-32.6	0	0	0	111	K297 K318 F321 W323 Q334	P295-K297 PolarHBondContact O-N 2.72Å; P295-K318 HydrophobicContact CB-CG 4.04Å; P295-K318 HydrophobicContact CG-CB 4.1Å; P295-K318 HydrophobicContact CG-CG 3.88Å; P295-F321 HydrophobicContact CG-CB 4.47Å; P295-F321 HydrophobicContact CG-CD2 4.23Å; P295-W323 HydrophobicContact CB-CH2 3.99Å; P295-W323 HydrophobicContact CB-CZ2 4.36Å; P295-W323 HydrophobicContact CG-CH2 3.79Å; P295-W323 HydrophobicContact CG-CZ2 4.07Å; P295-W323 VanDerWaalsContact O-CZ2 3.32Å; P295-W323 WeakPolarHBondContact O-CZ2 3.41Å; P295-Q334 PolarHBondContact O-NE2 3.41Å
296	N	90.3	Very high	88	Confident	98 Å²	98	66.5 Å²	66.5	52%	0.524	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-79.6	117.6	-178.8	174.1	10.2	0	0	0	110.9	C298 D299	N296-C298 PolarHBondContact O-N 2.91Å; N296-C298 VanDerWaalsContact O-N 3.13Å; N296-C298 PolarHBondContact OD1-N 2.93Å; N296-C298 VanDerWaalsContact OD1-N 3.07Å; N296-D299 HydrophobicContact CB-CB 4.23Å; N296-D299 WeakPolarHBondContact O-CB 3.36Å; N296-D299 PolarHBondContact O-N 2.76Å
297	K	91.2	Very high	88.8	Confident	41 Å²	41	59.2 Å²	59.2	18%	0.178	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28	-178.8	69.9	178	-177.8	-169.1	0	114.4	P295 L302 W323 E331 N480 L483 C485	P295-K297 PolarHBondContact O-N 2.72Å; K297-L302 WeakPolarHBondContact O-CD2 3.42Å; K297-W323 HydrophobicContact CB-CZ2 3.9Å; K297-E331 VanDerWaalsContact NZ-CD 3.27Å; K297-E331 IonicContact NZ-OE1 2.69Å; K297-E331 IonicContact NZ-OE2 3.76Å; K297-E331 PolarHBondContact NZ-OE2 3.44Å; K297-N480 WeakPolarHBondContact O-CB 3.4Å; K297-L483 HydrophobicContact CB-CB 4.2Å; K297-L483 HydrophobicContact CB-CD1 3.97Å; K297-C485 VanDerWaalsContact C-SG 3.57Å; K297-C485 PolarHBondContact O-SG 2.89Å
298	C	91.4	Very high	89.7	Confident	59 Å²	59	48.8 Å²	48.8	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	22.5	178.8	-60.1	0	0	0	0	113.5	N296 C485	N296-C298 PolarHBondContact O-N 2.91Å; N296-C298 VanDerWaalsContact O-N 3.13Å; N296-C298 PolarHBondContact OD1-N 2.93Å; N296-C298 VanDerWaalsContact OD1-N 3.07Å; C298-C485 WeakPolarHBondContact CA-SG 3.41Å; C298-C485 HydrophobicContact CB-CB 3.75Å; C298-C485 WeakPolarHBondContact CB-SG 3.24Å; C298-C485 WeakPolarHBondContact SG-CB 3.36Å; C298-C485 CovalentContact SG-SG 2.04Å; C298-C485 PolarHBondContact SG-SG 3.14Å
299	D	93.1	Very high	90.2	Very high	66 Å²	66	46.1 Å²	46.1	35%	0.353	25%	0.249	S	C	.	.			trans	-64	128.4	165.6	-168.6	-42	0	0	0	109.3	N296 E301 L302 N480	N296-D299 HydrophobicContact CB-CB 4.23Å; N296-D299 WeakPolarHBondContact O-CB 3.36Å; N296-D299 PolarHBondContact O-N 2.76Å; D299-E301 PolarHBondContact O-N 3.38Å; D299-E301 PolarHBondContact OD1-N 3.02Å; D299-L302 HydrophobicContact CB-CB 4.2Å; D299-L302 WeakPolarHBondContact O-CB 3.5Å; D299-L302 PolarHBondContact O-N 2.87Å; D299-N480 PolarHBondContact O-ND2 2.86Å
300	P	92	Very high	90.6	Very high	71 Å²	71	38.1 Å²	38.1	46%	0.461	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.9	178	27.7	-36.2	0	0	0	114.2	R478	P300-R478 PolarHBondContact O-NE 3.42Å; P300-R478 PolarHBondContact O-NH2 2.98Å
301	E	94.3	Very high	91	Very high	112 Å²	112	42.5 Å²	42.5	52%	0.523	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	11.6	179.8	-55.4	-55	129.6	0	0	112.6	D299 S303 N461 R478	D299-E301 PolarHBondContact O-N 3.38Å; D299-E301 PolarHBondContact OD1-N 3.02Å; E301-S303 PolarHBondContact O-N 3.44Å; E301-N461 PolarHBondContact OE2-ND2 3.13Å; E301-R478 IonicContact OE1-CZ 2.71Å; E301-R478 IonicContact OE1-NH2 3.63Å; E301-R478 PolarHBondContact OE1-NH2 3.23Å
302	L	95.6	Very high	91.3	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	24%	0.241	C	C	.	.			trans	-62.9	119.1	178.1	178.9	59.6	0	0	0	112.3	K297 D299 F304 K318 W323 T479 N480 L483	K297-L302 WeakPolarHBondContact O-CD2 3.42Å; D299-L302 HydrophobicContact CB-CB 4.2Å; D299-L302 WeakPolarHBondContact O-CB 3.5Å; D299-L302 PolarHBondContact O-N 2.87Å; L302-F304 HydrophobicContact CD2-CE1 3.83Å; L302-F304 HydrophobicContact CG-CD1 4.31Å; L302-F304 HydrophobicContact CG-CE1 4Å; L302-K318 HydrophobicContact CD1-CG 4.3Å; L302-W323 HydrophobicContact CD1-CH2 3.84Å; L302-W323 HydrophobicContact CD1-CZ3 4.29Å; L302-W323 HydrophobicContact CD2-CH2 3.84Å; L302-W323 HydrophobicContact CD2-CZ3 4.3Å; L302-W323 HydrophobicContact CG-CH2 4.48Å; L302-T479 WeakPolarHBondContact O-CB 3.43Å; L302-T479 WeakPolarHBondContact O-CG2 3.01Å; L302-N480 HydrophobicContact CB-CB 4.41Å; L302-N480 HydrophobicContact CD2-CB 4.22Å; L302-L483 HydrophobicContact CD2-CD1 3.71Å
303	S	95.8	Very high	91.9	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	23%	0.231	C	C	.	.			trans	-102.1	159	162.1	77.4	0	0	0	0	111.9	E301 K318 E460	E301-S303 PolarHBondContact O-N 3.44Å; S303-K318 WeakPolarHBondContact O-CD 3.35Å; S303-K318 WeakPolarHBondContact O-CE 3.18Å; S303-K318 PolarHBondContact O-NZ 3.36Å; S303-K318 VanDerWaalsContact O-NZ 3.14Å; S303-K318 PolarHBondContact OG-NZ 2.67Å; S303-E460 VanDerWaalsContact CA-O 3.23Å; S303-E460 WeakPolarHBondContact CA-O 3.46Å; S303-E460 VanDerWaalsContact CB-C 3.46Å; S303-E460 WeakPolarHBondContact CB-O 3.44Å
304	F	96.8	Very high	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.			trans	-104.5	146.5	173	-58.1	-26.6	0	0	0	110.3	L302 V307 I316 W323 D446 F458 T479 F482 L483	L302-F304 HydrophobicContact CD2-CE1 3.83Å; L302-F304 HydrophobicContact CG-CD1 4.31Å; L302-F304 HydrophobicContact CG-CE1 4Å; F304-V307 HydrophobicContact CB-CG2 4.11Å; F304-V307 HydrophobicContact CD2-CG2 3.62Å; F304-V307 HydrophobicContact CE2-CG2 4.44Å; F304-V307 HydrophobicContact CG-CG2 4.24Å; F304-I316 HydrophobicContact CB-CG2 4.06Å; F304-I316 HydrophobicContact CD1-CG2 3.36Å; F304-I316 HydrophobicContact CD2-CG2 3.61Å; F304-I316 HydrophobicContact CE1-CG2 3.56Å; F304-I316 HydrophobicContact CE2-CD1 3.94Å; F304-I316 HydrophobicContact CE2-CG2 3.78Å; F304-I316 HydrophobicContact CG-CG2 3.39Å; F304-I316 HydrophobicContact CZ-CD1 4.03Å; F304-I316 HydrophobicContact CZ-CG2 3.76Å; F304-W323 HydrophobicContact CD1-CZ3 4.4Å; F304-W323 HydrophobicContact CE1-CZ3 4.29Å; F304-D446 VanDerWaalsContact O-CB 3.24Å; F304-D446 WeakPolarHBondContact O-CB 3.27Å; F304-F458 AromaticContact CD2-CD1 3.72Å; F304-F458 HydrophobicContact CD2-CD1 3.72Å; F304-F458 AromaticContact CD2-CE1 3.71Å; F304-F458 HydrophobicContact CD2-CE1 3.71Å; F304-F458 HydrophobicContact CD2-CG 4.15Å; F304-F458 HydrophobicContact CD2-CZ 4.13Å; F304-F458 HydrophobicContact CE2-CD1 4.02Å; F304-F458 AromaticContact CE2-CE1 3.61Å; F304-F458 HydrophobicContact CE2-CE1 3.61Å; F304-F458 HydrophobicContact CE2-CZ 4.13Å; F304-T479 HydrophobicContact CB-CG2 4.47Å; F304-T479 HydrophobicContact CD1-CG2 3.61Å; F304-T479 HydrophobicContact CD2-CG2 3.48Å; F304-T479 VanDerWaalsContact CD2-CG2 3.48Å; F304-T479 HydrophobicContact CE1-CG2 3.56Å; F304-T479 HydrophobicContact CE2-CG2 3.45Å; F304-T479 VanDerWaalsContact CE2-CG2 3.45Å; F304-T479 HydrophobicContact CG-CG2 3.57Å; F304-T479 HydrophobicContact CZ-CG2 3.48Å; F304-T479 VanDerWaalsContact CZ-CG2 3.48Å; F304-T479 WeakPolarHBondContact CZ-O 3.13Å; F304-F482 HydrophobicContact CE2-CB 3.93Å; F304-F482 HydrophobicContact CZ-CB 4.16Å; F304-L483 HydrophobicContact CE1-CD1 3.58Å; F304-L483 HydrophobicContact CE1-CG 4.4Å; F304-L483 HydrophobicContact CZ-CD1 3.74Å; F304-L483 HydrophobicContact CZ-CG 4.07Å
305	D	97.4	Very high	92.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.027	21%	0.208	C	C	.	.	S	Bend	trans	-96.5	-16.7	180	-63.8	-14.9	0	0	0	113.3	F317 K318 D319 K347 D349 D446	D305-F317 PolarHBondContact N-O 3.48Å; D305-K318 WeakPolarHBondContact OD1-CD 3.24Å; D305-K318 IonicContact OD1-NZ 3.63Å; D305-K318 PolarHBondContact OD1-NZ 3.35Å; D305-D319 PolarHBondContact OD2-N 2.75Å; D305-K347 IonicContact OD1-NZ 2.62Å; D305-K347 PolarHBondContact OD1-NZ 3.07Å; D305-K347 WeakPolarHBondContact OD2-CD 3.4Å; D305-K347 WeakPolarHBondContact OD2-CE 3.47Å; D305-K347 IonicContact OD2-NZ 2.71Å; D305-K347 PolarHBondContact OD2-NZ 2.81Å; D305-D349 CarbonylContact O-C 3.54Å; D305-D446 CarbonylContact C-O 3.55Å
306	A	97.8	Very high	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	155.2	167.1	0	0	0	0	0	109.3	F317 V348 A351	A306-F317 HydrophobicContact CB-CB 4.18Å; A306-F317 HydrophobicContact CB-CD2 3.93Å; A306-F317 HydrophobicContact CB-CG 4.41Å; A306-F317 PolarHBondContact O-N 3.22Å; A306-V348 HydrophobicContact CB-CB 4.45Å; A306-V348 HydrophobicContact CB-CG1 3.68Å; A306-A351 HydrophobicContact CB-CB 4.05Å
307	V	96.9	Very high	93.4	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.2	170.6	-176.3	0	0	0	0	109	F304 T314 F315 I316 A447 T449 F458	F304-V307 HydrophobicContact CB-CG2 4.11Å; F304-V307 HydrophobicContact CD2-CG2 3.62Å; F304-V307 HydrophobicContact CE2-CG2 4.44Å; F304-V307 HydrophobicContact CG-CG2 4.24Å; V307-T314 HydrophobicContact CG1-CG2 3.77Å; V307-F315 WeakPolarHBondContact CA-O 3.39Å; V307-I316 HydrophobicContact CG1-CG1 4.11Å; V307-I316 HydrophobicContact CG2-CG1 4.26Å; V307-I316 HydrophobicContact CG2-CG2 4.26Å; V307-A447 HydrophobicContact CB-CB 4.42Å; V307-A447 HydrophobicContact CG2-CB 3.98Å; V307-T449 HydrophobicContact CB-CG2 4.35Å; V307-T449 HydrophobicContact CG1-CG2 3.71Å; V307-F458 HydrophobicContact CB-CE2 4.35Å; V307-F458 HydrophobicContact CG2-CD2 4.16Å; V307-F458 HydrophobicContact CG2-CE2 3.86Å; V307-F458 HydrophobicContact CG2-CZ 4.33Å
308	T	95.1	Very high	93.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157.4	172.3	-174.7	0	0	0	0	110.4	F315 F317 A351 Y352 E353 V360	T308-F315 HydrophobicContact CG2-CB 3.94Å; T308-F315 PolarHBondContact N-O 2.86Å; T308-F315 PolarHBondContact O-N 2.82Å; T308-F317 HydrophobicContact CG2-CE2 4.03Å; T308-A351 HydrophobicContact CG2-CB 3.89Å; T308-Y352 VanDerWaalsContact OG1-CA 3.3Å; T308-Y352 WeakPolarHBondContact OG1-CA 3.16Å; T308-E353 PolarHBondContact OG1-N 2.73Å; T308-V360 HydrophobicContact CG2-CG1 4.05Å
309	E	91.1	Very high	93.7	Very high	51 Å²	51	32.9 Å²	32.9	24%	0.238	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	164.7	158.3	-60.6	-166.9	155	0	0	110.2	E313 E353 H451	E309-E313 CarbonylContact C-O 3.58Å; E309-E313 WeakPolarHBondContact CA-O 3.1Å; E309-E353 WeakPolarHBondContact O-CB 3.3Å; E309-H451 IonicContact OE1-CE1 3.49Å; E309-H451 IonicContact OE1-CG 2.81Å; E309-H451 IonicContact OE1-ND1 3.43Å; E309-H451 PolarHBondContact OE1-ND1 2.83Å
310	L	89	Confident	93.6	Very high	17 Å²	17	30.4 Å²	30.4	9%	0.089	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	111.9	163.2	171.2	61.1	0	0	0	107.8	G312 E313 F315 E353 V360	L310-G312 PolarHBondContact O-N 3.05Å; L310-E313 PolarHBondContact N-O 3.03Å; L310-E313 WeakPolarHBondContact O-CB 3.14Å; L310-E313 PolarHBondContact O-N 2.92Å; L310-F315 HydrophobicContact CB-CD2 3.85Å; L310-F315 HydrophobicContact CB-CE2 3.79Å; L310-F315 HydrophobicContact CD2-CD2 4.43Å; L310-F315 HydrophobicContact CD2-CE2 3.8Å; L310-F315 HydrophobicContact CD2-CZ 4.05Å; L310-F315 HydrophobicContact CG-CE2 4.28Å; L310-E353 WeakPolarHBondContact CA-OE1 3.21Å; L310-V360 HydrophobicContact CB-CG2 4.05Å; L310-V360 HydrophobicContact CD1-CG2 3.7Å; L310-V360 HydrophobicContact CG-CG2 4.34Å
311	R	88.3	Confident	93.7	Very high	147 Å²	147	27.1 Å²	27.1	56%	0.555	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	22.4	177.9	-59.1	173.2	178.7	162.5	-0.9	114.6	E353 D358 N372	R311-E353 PolarHBondContact N-OE1 3.22Å; R311-D358 IonicContact CZ-OD1 3.71Å; R311-D358 IonicContact CZ-OD2 3.77Å; R311-D358 IonicContact NE-OD1 3.73Å; R311-D358 PolarHBondContact NE-OD1 3.46Å; R311-D358 IonicContact NE-OD2 2.67Å; R311-D358 VanDerWaalsContact NH2-CG 3.33Å; R311-D358 IonicContact NH2-OD1 3.22Å; R311-D358 PolarHBondContact NH2-OD1 3.1Å; R311-D358 VanDerWaalsContact NH2-OD1 3.17Å; R311-D358 IonicContact NH2-OD2 2.61Å; R311-D358 PolarHBondContact NH2-OD2 3.03Å; R311-N372 PolarHBondContact NH2-OD1 3.28Å
312	G	86.3	Confident	93.6	Very high	41 Å²	41	22 Å²	22	42%	0.423	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-2.6	-176.5	0	0	0	0	0	115.7	L310 P327	L310-G312 PolarHBondContact O-N 3.05Å; G312-P327 VanDerWaalsContact O-CG 3.23Å; G312-P327 WeakPolarHBondContact O-CG 3.4Å
313	E	90.2	Very high	93.6	Very high	29 Å²	29	21.6 Å²	21.6	14%	0.136	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	154.1	161.9	-56.5	-168.9	143.3	0	0	110	E309 L310 F315 R324 L325 H326	E309-E313 CarbonylContact C-O 3.58Å; E309-E313 WeakPolarHBondContact CA-O 3.1Å; L310-E313 PolarHBondContact N-O 3.03Å; L310-E313 WeakPolarHBondContact O-CB 3.14Å; L310-E313 PolarHBondContact O-N 2.92Å; E313-F315 HydrophobicContact CB-CD2 4.3Å; E313-F315 HydrophobicContact CB-CE2 3.84Å; E313-F315 WeakPolarHBondContact OE2-CE2 3.14Å; E313-R324 VanDerWaalsContact CD-NE 3.3Å; E313-R324 IonicContact OE1-CZ 2.65Å; E313-R324 VanDerWaalsContact OE1-CZ 3.32Å; E313-R324 IonicContact OE1-NE 3.15Å; E313-R324 PolarHBondContact OE1-NE 3.19Å; E313-R324 IonicContact OE1-NH2 3.16Å; E313-R324 PolarHBondContact OE1-NH2 3.47Å; E313-R324 IonicContact OE2-CZ 3.14Å; E313-R324 IonicContact OE2-NE 2.69Å; E313-R324 PolarHBondContact OE2-NE 3.23Å; E313-L325 WeakPolarHBondContact CA-O 3.47Å; E313-H326 HydrophobicContact CG-CB 4.34Å; E313-H326 IonicContact OE1-CD2 2.84Å; E313-H326 PolarHBondContact OE1-CD2 3.44Å; E313-H326 VanDerWaalsContact OE1-CD2 3.29Å; E313-H326 IonicContact OE1-CG 3.34Å
314	T	92.3	Very high	93.4	Very high	8 Å²	8	21.5 Å²	21.5	5%	0.049	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.5	168.1	-53.8	0	0	0	0	110.6	V307 I316 L325 F482	V307-T314 HydrophobicContact CG1-CG2 3.77Å; T314-I316 HydrophobicContact CG2-CD1 4.46Å; T314-I316 HydrophobicContact CG2-CG1 4.02Å; T314-L325 PolarHBondContact N-O 3.43Å; T314-L325 PolarHBondContact O-N 3.07Å; T314-F482 HydrophobicContact CG2-CE1 4.26Å
315	F	94.4	Very high	93.1	Very high	6 Å²	6	23 Å²	23	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	174.8	-76.9	-105.7	0	0	0	109.6	V307 T308 L310 E313 F317 Y322 W323 R324 W341	V307-F315 WeakPolarHBondContact CA-O 3.39Å; T308-F315 HydrophobicContact CG2-CB 3.94Å; T308-F315 PolarHBondContact N-O 2.86Å; T308-F315 PolarHBondContact O-N 2.82Å; L310-F315 HydrophobicContact CB-CD2 3.85Å; L310-F315 HydrophobicContact CB-CE2 3.79Å; L310-F315 HydrophobicContact CD2-CD2 4.43Å; L310-F315 HydrophobicContact CD2-CE2 3.8Å; L310-F315 HydrophobicContact CD2-CZ 4.05Å; L310-F315 HydrophobicContact CG-CE2 4.28Å; E313-F315 HydrophobicContact CB-CD2 4.3Å; E313-F315 HydrophobicContact CB-CE2 3.84Å; E313-F315 WeakPolarHBondContact OE2-CE2 3.14Å; F315-F317 HydrophobicContact CB-CE2 4.12Å; F315-F317 HydrophobicContact CB-CZ 4.36Å; F315-Y322 AromaticContact CD1-CD2 3.55Å; F315-Y322 HydrophobicContact CD1-CD2 3.55Å; F315-Y322 AromaticContact CD1-CE2 3.72Å; F315-Y322 HydrophobicContact CD1-CE2 3.72Å; F315-Y322 HydrophobicContact CD1-CG 4.39Å; F315-Y322 AromaticContact CE1-CD2 3.91Å; F315-Y322 HydrophobicContact CE1-CD2 3.91Å; F315-Y322 AromaticContact CE1-CE2 3.54Å; F315-Y322 HydrophobicContact CE1-CE2 3.54Å; F315-W323 WeakPolarHBondContact CA-O 3.5Å; F315-R324 HydrophobicContact CD1-CB 4.46Å; F315-R324 HydrophobicContact CE1-CB 4.1Å; F315-R324 HydrophobicContact CE1-CG 4.31Å; F315-R324 HydrophobicContact CE2-CG 4.31Å; F315-R324 HydrophobicContact CZ-CB 4.24Å; F315-R324 HydrophobicContact CZ-CG 3.94Å; F315-W341 AromaticContact CD1-CH2 4Å; F315-W341 HydrophobicContact CD1-CH2 4Å; F315-W341 AromaticContact CE1-CH2 3.89Å; F315-W341 HydrophobicContact CE1-CH2 3.89Å
316	I	96.4	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	112.9	-176.7	-59.5	179.6	0	0	0	108.4	F304 V307 T314 Y322 W323 L325 F482 L483	F304-I316 HydrophobicContact CB-CG2 4.06Å; F304-I316 HydrophobicContact CD1-CG2 3.36Å; F304-I316 HydrophobicContact CD2-CG2 3.61Å; F304-I316 HydrophobicContact CE1-CG2 3.56Å; F304-I316 HydrophobicContact CE2-CD1 3.94Å; F304-I316 HydrophobicContact CE2-CG2 3.78Å; F304-I316 HydrophobicContact CG-CG2 3.39Å; F304-I316 HydrophobicContact CZ-CD1 4.03Å; F304-I316 HydrophobicContact CZ-CG2 3.76Å; V307-I316 HydrophobicContact CG1-CG1 4.11Å; V307-I316 HydrophobicContact CG2-CG1 4.26Å; V307-I316 HydrophobicContact CG2-CG2 4.26Å; T314-I316 HydrophobicContact CG2-CD1 4.46Å; T314-I316 HydrophobicContact CG2-CG1 4.02Å; I316-Y322 CarbonylContact O-C 3.52Å; I316-Y322 WeakPolarHBondContact O-CA 3.15Å; I316-Y322 WeakPolarHBondContact O-CB 3.44Å; I316-W323 HydrophobicContact CB-CB 4.39Å; I316-W323 HydrophobicContact CB-CE3 4.28Å; I316-W323 HydrophobicContact CG2-CE3 3.9Å; I316-W323 HydrophobicContact CG2-CZ3 4.37Å; I316-W323 PolarHBondContact N-O 3.35Å; I316-W323 PolarHBondContact O-N 3.04Å; I316-L325 HydrophobicContact CD1-CD1 3.77Å; I316-L325 HydrophobicContact CD1-CD2 4.2Å; I316-L325 HydrophobicContact CG1-CD1 4.08Å; I316-F482 HydrophobicContact CD1-CB 4.5Å; I316-F482 HydrophobicContact CD1-CD1 3.99Å; I316-L483 HydrophobicContact CD1-CD2 3.96Å; I316-L483 HydrophobicContact CD1-CG 4.23Å
317	F	96.8	Very high	91.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.4	-175.1	-63.8	-88	0	0	0	111.9	D305 A306 T308 F315 Y322 I337 W341 V348 A351 I362	D305-F317 PolarHBondContact N-O 3.48Å; A306-F317 HydrophobicContact CB-CB 4.18Å; A306-F317 HydrophobicContact CB-CD2 3.93Å; A306-F317 HydrophobicContact CB-CG 4.41Å; A306-F317 PolarHBondContact O-N 3.22Å; T308-F317 HydrophobicContact CG2-CE2 4.03Å; F315-F317 HydrophobicContact CB-CE2 4.12Å; F315-F317 HydrophobicContact CB-CZ 4.36Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; F317-I337 HydrophobicContact CD1-CD1 3.81Å; F317-I337 HydrophobicContact CD1-CG1 3.9Å; F317-I337 HydrophobicContact CE1-CG1 4.27Å; F317-W341 HydrophobicContact CE1-CZ3 4.05Å; F317-W341 HydrophobicContact CZ-CZ3 4.4Å; F317-V348 HydrophobicContact CB-CB 4.13Å; F317-V348 HydrophobicContact CD1-CB 4.16Å; F317-V348 HydrophobicContact CD1-CG2 3.7Å; F317-V348 HydrophobicContact CD2-CG1 4.39Å; F317-V348 HydrophobicContact CE1-CG2 4.02Å; F317-V348 HydrophobicContact CG-CB 4.04Å; F317-V348 HydrophobicContact CG-CG1 4.35Å; F317-V348 HydrophobicContact CG-CG2 4.09Å; F317-A351 HydrophobicContact CD2-CB 4.38Å; F317-A351 HydrophobicContact CE2-CB 4.03Å; F317-I362 HydrophobicContact CE2-CD1 4.08Å; F317-I362 HydrophobicContact CZ-CD1 3.83Å
318	K	95.8	Very high	91	Very high	24 Å²	24	36.7 Å²	36.7	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	119.2	172.9	-171.7	51.3	170.2	-173.1	0	113.3	P295 L302 S303 D305 S320 F321 W323	P295-K318 HydrophobicContact CB-CG 4.04Å; P295-K318 HydrophobicContact CG-CB 4.1Å; P295-K318 HydrophobicContact CG-CG 3.88Å; L302-K318 HydrophobicContact CD1-CG 4.3Å; S303-K318 WeakPolarHBondContact O-CD 3.35Å; S303-K318 WeakPolarHBondContact O-CE 3.18Å; S303-K318 PolarHBondContact O-NZ 3.36Å; S303-K318 VanDerWaalsContact O-NZ 3.14Å; S303-K318 PolarHBondContact OG-NZ 2.67Å; D305-K318 WeakPolarHBondContact OD1-CD 3.24Å; D305-K318 IonicContact OD1-NZ 3.63Å; D305-K318 PolarHBondContact OD1-NZ 3.35Å; K318-S320 VanDerWaalsContact C-N 3.29Å; K318-S320 PolarHBondContact O-N 2.78Å; K318-F321 PolarHBondContact N-O 2.89Å; K318-F321 PolarHBondContact O-N 3.44Å; K318-F321 VanDerWaalsContact O-O 3.11Å; K318-W323 HydrophobicContact CB-CH2 4.32Å; K318-W323 HydrophobicContact CB-CZ3 3.78Å; K318-W323 HydrophobicContact CG-CZ3 4.42Å
319	D	92.5	Very high	90.1	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-64.1	173.9	-69.7	-64.8	0	0	0	117.2	D305 K346	D305-D319 PolarHBondContact OD2-N 2.75Å; D319-K346 CarbonylContact O-C 3.55Å
320	S	90.8	Very high	89.4	Confident	14 Å²	14	37 Å²	37	10%	0.098	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	3.4	173.6	-70.6	0	0	0	0	113.2	K318 L336 I337 K346	K318-S320 VanDerWaalsContact C-N 3.29Å; K318-S320 PolarHBondContact O-N 2.78Å; S320-L336 WeakPolarHBondContact O-CD2 3.16Å; S320-I337 PolarHBondContact O-N 3.32Å; S320-K346 WeakPolarHBondContact CA-O 3.38Å
321	F	93.3	Very high	88.9	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	165.8	-175.5	-56.4	-95.8	0	0	0	110	P292 D293 A294 P295 K318 T335 L336 I337	P292-F321 HydrophobicContact CG-CE2 4.3Å; P292-F321 WeakPolarHBondContact O-CZ 3.26Å; D293-F321 WeakPolarHBondContact O-CE2 3.29Å; A294-F321 HydrophobicContact CB-CD1 4.16Å; A294-F321 HydrophobicContact CB-CE1 3.75Å; A294-F321 HydrophobicContact CB-CE2 4.41Å; A294-F321 HydrophobicContact CB-CZ 3.89Å; P295-F321 HydrophobicContact CG-CB 4.47Å; P295-F321 HydrophobicContact CG-CD2 4.23Å; K318-F321 PolarHBondContact N-O 2.89Å; K318-F321 PolarHBondContact O-N 3.44Å; K318-F321 VanDerWaalsContact O-O 3.11Å; F321-T335 CarbonylContact C-O 3.49Å; F321-T335 VanDerWaalsContact CA-O 3.27Å; F321-T335 WeakPolarHBondContact CA-O 3.26Å; F321-L336 HydrophobicContact CD1-CD2 3.72Å; F321-L336 HydrophobicContact CD1-CG 4.04Å; F321-L336 HydrophobicContact CE1-CD2 3.47Å; F321-L336 VanDerWaalsContact CE1-CD2 3.47Å; F321-L336 HydrophobicContact CE1-CG 3.85Å; F321-L336 HydrophobicContact CE2-CD2 4.29Å; F321-L336 HydrophobicContact CG-CD2 4.24Å; F321-L336 HydrophobicContact CZ-CD2 3.78Å; F321-I337 WeakPolarHBondContact O-CD1 3.23Å
322	Y	94	Very high	88.7	Confident	5 Å²	5	31.3 Å²	31.3	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.4	160.9	66.7	-85.8	0	0	0	109.6	F315 I316 F317 R324 Q334 T335 I337 T340 W341	F315-Y322 AromaticContact CD1-CD2 3.55Å; F315-Y322 HydrophobicContact CD1-CD2 3.55Å; F315-Y322 AromaticContact CD1-CE2 3.72Å; F315-Y322 HydrophobicContact CD1-CE2 3.72Å; F315-Y322 HydrophobicContact CD1-CG 4.39Å; F315-Y322 AromaticContact CE1-CD2 3.91Å; F315-Y322 HydrophobicContact CE1-CD2 3.91Å; F315-Y322 AromaticContact CE1-CE2 3.54Å; F315-Y322 HydrophobicContact CE1-CE2 3.54Å; I316-Y322 CarbonylContact O-C 3.52Å; I316-Y322 WeakPolarHBondContact O-CA 3.15Å; I316-Y322 WeakPolarHBondContact O-CB 3.44Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; Y322-R324 HydrophobicContact CD2-CB 4.3Å; Y322-R324 HydrophobicContact CE2-CB 3.95Å; Y322-Q334 WeakPolarHBondContact O-CA 3.42Å; Y322-T335 WeakPolarHBondContact CD1-O 3.33Å; Y322-T335 HydrophobicContact CE1-CG2 4.05Å; Y322-T335 PolarHBondContact N-O 3.17Å; Y322-T335 PolarHBondContact O-N 2.95Å; Y322-I337 HydrophobicContact CD1-CG1 3.91Å; Y322-T340 HydrophobicContact CE1-CG2 4.5Å; Y322-T340 WeakPolarHBondContact CE1-OG1 3.46Å; Y322-T340 PolarHBondContact OH-OG1 3.24Å; Y322-W341 AromaticContact CD1-CZ3 3.9Å; Y322-W341 HydrophobicContact CD1-CZ3 3.9Å; Y322-W341 HydrophobicContact CE1-CE3 4.4Å; Y322-W341 HydrophobicContact CE1-CH2 4.37Å; Y322-W341 AromaticContact CE1-CZ3 3.69Å; Y322-W341 HydrophobicContact CE1-CZ3 3.69Å; Y322-W341 HydrophobicContact CG-CZ3 4.5Å
323	W	94.2	Very high	88.6	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138	161.3	-65.7	-80.7	0	0	0	110.4	P295 K297 L302 F304 F315 I316 K318 L325 P332 E333 Q334 L483	P295-W323 HydrophobicContact CB-CH2 3.99Å; P295-W323 HydrophobicContact CB-CZ2 4.36Å; P295-W323 HydrophobicContact CG-CH2 3.79Å; P295-W323 HydrophobicContact CG-CZ2 4.07Å; P295-W323 VanDerWaalsContact O-CZ2 3.32Å; P295-W323 WeakPolarHBondContact O-CZ2 3.41Å; K297-W323 HydrophobicContact CB-CZ2 3.9Å; L302-W323 HydrophobicContact CD1-CH2 3.84Å; L302-W323 HydrophobicContact CD1-CZ3 4.29Å; L302-W323 HydrophobicContact CD2-CH2 3.84Å; L302-W323 HydrophobicContact CD2-CZ3 4.3Å; L302-W323 HydrophobicContact CG-CH2 4.48Å; F304-W323 HydrophobicContact CD1-CZ3 4.4Å; F304-W323 HydrophobicContact CE1-CZ3 4.29Å; F315-W323 WeakPolarHBondContact CA-O 3.5Å; I316-W323 HydrophobicContact CB-CB 4.39Å; I316-W323 HydrophobicContact CB-CE3 4.28Å; I316-W323 HydrophobicContact CG2-CE3 3.9Å; I316-W323 HydrophobicContact CG2-CZ3 4.37Å; I316-W323 PolarHBondContact N-O 3.35Å; I316-W323 PolarHBondContact O-N 3.04Å; K318-W323 HydrophobicContact CB-CH2 4.32Å; K318-W323 HydrophobicContact CB-CZ3 3.78Å; K318-W323 HydrophobicContact CG-CZ3 4.42Å; W323-L325 HydrophobicContact CB-CD1 3.89Å; W323-P332 HydrophobicContact CB-CB 3.97Å; W323-P332 HydrophobicContact CG-CB 4.21Å; W323-E333 CarbonylContact C-O 3.54Å; W323-E333 WeakPolarHBondContact CA-O 3.3Å; W323-Q334 VanDerWaalsContact CZ2-NE2 3.28Å; W323-L483 HydrophobicContact CB-CD2 3.83Å; W323-L483 HydrophobicContact CD2-CD1 3.94Å; W323-L483 HydrophobicContact CD2-CD2 3.97Å; W323-L483 HydrophobicContact CE3-CD1 3.85Å; W323-L483 HydrophobicContact CE3-CD2 4.36Å; W323-L483 HydrophobicContact CG-CD2 3.75Å; W323-L483 HydrophobicContact CH2-CD1 4.15Å; W323-L483 HydrophobicContact CZ2-CD1 4.24Å; W323-L483 HydrophobicContact CZ3-CD1 3.96Å
324	R	91.8	Very high	88.5	Confident	22 Å²	22	32 Å²	32	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120	170.9	165.1	177.6	168.8	-111.3	-4.7	109.1	E104 E313 F315 Y322 P332 E333	E104-R324 IonicContact OE1-NH2 3.36Å; E104-R324 IonicContact OE2-CZ 3.14Å; E104-R324 IonicContact OE2-NH1 3.69Å; E104-R324 PolarHBondContact OE2-NH1 2.82Å; E104-R324 IonicContact OE2-NH2 2.77Å; E313-R324 VanDerWaalsContact CD-NE 3.3Å; E313-R324 IonicContact OE1-CZ 2.65Å; E313-R324 VanDerWaalsContact OE1-CZ 3.32Å; E313-R324 IonicContact OE1-NE 3.15Å; E313-R324 PolarHBondContact OE1-NE 3.19Å; E313-R324 IonicContact OE1-NH2 3.16Å; E313-R324 PolarHBondContact OE1-NH2 3.47Å; E313-R324 IonicContact OE2-CZ 3.14Å; E313-R324 IonicContact OE2-NE 2.69Å; E313-R324 PolarHBondContact OE2-NE 3.23Å; F315-R324 HydrophobicContact CD1-CB 4.46Å; F315-R324 HydrophobicContact CE1-CB 4.1Å; F315-R324 HydrophobicContact CE1-CG 4.31Å; F315-R324 HydrophobicContact CE2-CG 4.31Å; F315-R324 HydrophobicContact CZ-CB 4.24Å; F315-R324 HydrophobicContact CZ-CG 3.94Å; Y322-R324 HydrophobicContact CD2-CB 4.3Å; Y322-R324 HydrophobicContact CE2-CB 3.95Å; R324-P332 WeakPolarHBondContact O-CA 3.48Å; R324-E333 HydrophobicContact CB-CB 4.34Å; R324-E333 WeakPolarHBondContact CD-OE2 3.41Å; R324-E333 IonicContact CZ-OE2 2.69Å; R324-E333 PolarHBondContact N-O 2.85Å; R324-E333 IonicContact NE-OE2 2.76Å; R324-E333 IonicContact NH1-OE2 3.67Å; R324-E333 PolarHBondContact NH1-OE2 3.39Å; R324-E333 PolarHBondContact O-N 3.23Å
325	L	90.7	Very high	88.2	Confident	32 Å²	32	33 Å²	33	17%	0.168	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	97	-180	-66.6	73.3	0	0	0	107.9	E313 T314 I316 W323 P332 F482 L483	E313-L325 WeakPolarHBondContact CA-O 3.47Å; T314-L325 PolarHBondContact N-O 3.43Å; T314-L325 PolarHBondContact O-N 3.07Å; I316-L325 HydrophobicContact CD1-CD1 3.77Å; I316-L325 HydrophobicContact CD1-CD2 4.2Å; I316-L325 HydrophobicContact CG1-CD1 4.08Å; W323-L325 HydrophobicContact CB-CD1 3.89Å; L325-P332 HydrophobicContact CD1-CB 3.96Å; L325-P332 HydrophobicContact CD1-CG 4.4Å; L325-P332 HydrophobicContact CG-CB 3.97Å; L325-P332 HydrophobicContact CG-CG 4.06Å; L325-F482 VanDerWaalsContact CD2-O 3.31Å; L325-F482 WeakPolarHBondContact CD2-O 3.12Å; L325-L483 HydrophobicContact CD1-CD2 3.96Å; L325-L483 HydrophobicContact CD2-CD2 4.41Å
326	H	86.1	Confident	87.8	Confident	46 Å²	46	33.4 Å²	33.4	21%	0.213	18%	0.179	C	C	.	.			trans	-87.7	134.6	173.9	175.8	-125.1	0	0	0	109.8	E313 Q328 M329	E313-H326 HydrophobicContact CG-CB 4.34Å; E313-H326 IonicContact OE1-CD2 2.84Å; E313-H326 PolarHBondContact OE1-CD2 3.44Å; E313-H326 VanDerWaalsContact OE1-CD2 3.29Å; E313-H326 IonicContact OE1-CG 3.34Å; H326-Q328 PolarHBondContact CE1-OE1 3.2Å; H326-Q328 PolarHBondContact O-N 3.04Å; H326-M329 HydrophobicContact CB-CB 4.12Å; H326-M329 HydrophobicContact CB-CE 3.52Å; H326-M329 HydrophobicContact CB-CG 4Å; H326-M329 PolarHBondContact O-N 3.02Å
327	P	81.9	Confident	87.6	Confident	103 Å²	103	33.5 Å²	33.5	67%	0.669	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.6	-174.4	-28	36.7	0	0	0	117.1	G312	G312-P327 VanDerWaalsContact O-CG 3.23Å; G312-P327 WeakPolarHBondContact O-CG 3.4Å
328	Q	79.1	Confident	87.1	Confident	144 Å²	144	35 Å²	35	67%	0.673	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-13.2	174.7	-55.2	177.4	-22.6	0	0	112.5	H326	H326-Q328 PolarHBondContact CE1-OE1 3.2Å; H326-Q328 PolarHBondContact O-N 3.04Å
329	M	76.6	Confident	86.4	Confident	21 Å²	21	35.7 Å²	35.7	10%	0.103	19%	0.193	C	C	.	.			trans	-87.2	133.8	178.5	-75.1	-154.6	-80.6	0	0	111.1	N101 H326 E333	N101-M329 HydrophobicContact CB-SD 4.32Å; N101-M329 VanDerWaalsContact CG-SD 3.58Å; N101-M329 PolarHBondContact ND2-SD 2.83Å; N101-M329 WeakPolarHBondContact OD1-CA 3.48Å; N101-M329 WeakPolarHBondContact OD1-CB 3.37Å; N101-M329 WeakPolarHBondContact OD1-CG 3.49Å; H326-M329 HydrophobicContact CB-CB 4.12Å; H326-M329 HydrophobicContact CB-CE 3.52Å; H326-M329 HydrophobicContact CB-CG 4Å; H326-M329 PolarHBondContact O-N 3.02Å; M329-E333 HydrophobicContact CE-CB 4.43Å
330	A	76	Confident	86.1	Confident	40 Å²	40	33.5 Å²	33.5	33%	0.331	18%	0.183	S	C	.	.	S	Bend	trans	-78.3	-30.2	-177.6	0	0	0	0	0	112.6	N101 N484	N101-A330 PolarHBondContact OD1-N 2.78Å; A330-N484 PolarHBondContact O-ND2 3.19Å
331	E	79.4	Confident	86	Confident	32 Å²	32	33.1 Å²	33.1	15%	0.15	18%	0.179	C	C	.	.	S	Bend	trans	-116.5	150.1	174.3	-64.8	-64.1	-179.2	0	0	112	Q93 N101 K297 E333	Q93-E331 HydrophobicContact CB-CG 3.69Å; N101-E331 PolarHBondContact ND2-O 3.49Å; K297-E331 VanDerWaalsContact NZ-CD 3.27Å; K297-E331 IonicContact NZ-OE1 2.69Å; K297-E331 IonicContact NZ-OE2 3.76Å; K297-E331 PolarHBondContact NZ-OE2 3.44Å; E331-E333 PolarHBondContact O-N 3.04Å
332	P	84.8	Confident	85.6	Confident	12 Å²	12	34.8 Å²	34.8	8%	0.078	19%	0.19	C	C	.	.			trans	-65.4	127.6	166.3	-14.1	28.2	0	0	0	111.6	W323 R324 L325 L483	W323-P332 HydrophobicContact CB-CB 3.97Å; W323-P332 HydrophobicContact CG-CB 4.21Å; R324-P332 WeakPolarHBondContact O-CA 3.48Å; L325-P332 HydrophobicContact CD1-CB 3.96Å; L325-P332 HydrophobicContact CD1-CG 4.4Å; L325-P332 HydrophobicContact CG-CB 3.97Å; L325-P332 HydrophobicContact CG-CG 4.06Å; P332-L483 HydrophobicContact CB-CD2 3.87Å; P332-L483 HydrophobicContact CG-CB 4.45Å; P332-L483 HydrophobicContact CG-CD2 3.58Å
333	E	83.3	Confident	85.3	Confident	43 Å²	43	39 Å²	39	20%	0.201	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	138.1	165.5	-175.2	-151.8	139.7	0	0	108.8	W323 R324 M329 E331 T335	W323-E333 CarbonylContact C-O 3.54Å; W323-E333 WeakPolarHBondContact CA-O 3.3Å; R324-E333 HydrophobicContact CB-CB 4.34Å; R324-E333 WeakPolarHBondContact CD-OE2 3.41Å; R324-E333 IonicContact CZ-OE2 2.69Å; R324-E333 PolarHBondContact N-O 2.85Å; R324-E333 IonicContact NE-OE2 2.76Å; R324-E333 IonicContact NH1-OE2 3.67Å; R324-E333 PolarHBondContact NH1-OE2 3.39Å; R324-E333 PolarHBondContact O-N 3.23Å; M329-E333 HydrophobicContact CE-CB 4.43Å; E331-E333 PolarHBondContact O-N 3.04Å; E333-T335 PolarHBondContact OE1-OG1 3.01Å
334	Q	88.7	Confident	85.3	Confident	42 Å²	42	39.1 Å²	39.1	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118	178.6	-171.2	176.7	32.9	0	0	111.7	P295 Y322 W323	P295-Q334 PolarHBondContact O-NE2 3.41Å; Y322-Q334 WeakPolarHBondContact O-CA 3.42Å; W323-Q334 VanDerWaalsContact CZ2-NE2 3.28Å
335	T	85.9	Confident	85.3	Confident	30 Å²	30	39.3 Å²	39.3	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.7	-167.7	-61.3	0	0	0	0	111.7	F321 Y322 E333	F321-T335 CarbonylContact C-O 3.49Å; F321-T335 VanDerWaalsContact CA-O 3.27Å; F321-T335 WeakPolarHBondContact CA-O 3.26Å; Y322-T335 WeakPolarHBondContact CD1-O 3.33Å; Y322-T335 HydrophobicContact CE1-CG2 4.05Å; Y322-T335 PolarHBondContact N-O 3.17Å; Y322-T335 PolarHBondContact O-N 2.95Å; E333-T335 PolarHBondContact OE1-OG1 3.01Å
336	L	86.4	Confident	85.2	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.2	175.2	-82	172	0	0	0	111.4	S260 S320 F321 K338 S339 T340	S260-L336 WeakPolarHBondContact OG-CD1 3.23Å; S320-L336 WeakPolarHBondContact O-CD2 3.16Å; F321-L336 HydrophobicContact CD1-CD2 3.72Å; F321-L336 HydrophobicContact CD1-CG 4.04Å; F321-L336 HydrophobicContact CE1-CD2 3.47Å; F321-L336 VanDerWaalsContact CE1-CD2 3.47Å; F321-L336 HydrophobicContact CE1-CG 3.85Å; F321-L336 HydrophobicContact CE2-CD2 4.29Å; F321-L336 HydrophobicContact CG-CD2 4.24Å; F321-L336 HydrophobicContact CZ-CD2 3.78Å; L336-K338 PolarHBondContact O-N 2.58Å; L336-K338 VanDerWaalsContact O-N 3.1Å; L336-S339 WeakPolarHBondContact O-CB 3.43Å; L336-S339 PolarHBondContact O-N 3.05Å; L336-T340 PolarHBondContact O-N 2.98Å
337	I	91.1	Very high	85.6	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-53.4	-37.7	176.7	-64.6	163	0	0	0	111.3	F317 S320 F321 Y322 W341 L344 K346 V348	F317-I337 HydrophobicContact CD1-CD1 3.81Å; F317-I337 HydrophobicContact CD1-CG1 3.9Å; F317-I337 HydrophobicContact CE1-CG1 4.27Å; S320-I337 PolarHBondContact O-N 3.32Å; F321-I337 WeakPolarHBondContact O-CD1 3.23Å; Y322-I337 HydrophobicContact CD1-CG1 3.91Å; I337-W341 HydrophobicContact CG2-CE3 4.34Å; I337-W341 PolarHBondContact O-N 3.36Å; I337-L344 HydrophobicContact CG2-CB 4.11Å; I337-L344 HydrophobicContact CG2-CD1 3.97Å; I337-K346 WeakPolarHBondContact CD1-O 3.25Å; I337-V348 HydrophobicContact CD1-CG2 4.37Å
338	K	85.8	Confident	86.3	Confident	34 Å²	34	39 Å²	39	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-81.5	-10.7	180	-83.3	-168.9	166	-70.6	0	115.8	L336 P342 L344 K346	L336-K338 PolarHBondContact O-N 2.58Å; L336-K338 VanDerWaalsContact O-N 3.1Å; K338-P342 PolarHBondContact NZ-O 3.49Å; K338-P342 WeakPolarHBondContact O-CA 3.46Å; K338-P342 WeakPolarHBondContact O-CG 3.38Å; K338-L344 VanDerWaalsContact CE-O 3.25Å; K338-L344 WeakPolarHBondContact CE-O 3.12Å; K338-L344 PolarHBondContact NZ-O 3.29Å; K338-K346 HydrophobicContact CD-CG 4.17Å
339	S	81.3	Confident	87.2	Confident	38 Å²	38	33.2 Å²	33.2	27%	0.266	18%	0.181	S	C	.	.	H	α-helix	trans	-72.2	-50.4	168.5	-148.3	0	0	0	0	109.1	S260 L336	S260-S339 WeakPolarHBondContact CA-OG 3.21Å; S260-S339 WeakPolarHBondContact OG-CB 3.37Å; S260-S339 PolarHBondContact OG-OG 2.92Å; L336-S339 WeakPolarHBondContact O-CB 3.43Å; L336-S339 PolarHBondContact O-N 3.05Å
340	T	86	Confident	88.2	Confident	27 Å²	27	32.2 Å²	32.2	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-76.9	-39.6	-174.8	-46	0	0	0	0	112.5	Y322 L336 Y374	Y322-T340 HydrophobicContact CE1-CG2 4.5Å; Y322-T340 WeakPolarHBondContact CE1-OG1 3.46Å; Y322-T340 PolarHBondContact OH-OG1 3.24Å; L336-T340 PolarHBondContact O-N 2.98Å; T340-Y374 HydrophobicContact CG2-CD1 3.53Å; T340-Y374 HydrophobicContact CG2-CE1 3.8Å
341	W	89.8	Confident	89.3	Confident	6 Å²	6	30.4 Å²	30.4	2%	0.023	16%	0.162	C	C	.	.			trans	-134.2	81.3	178.5	-52.5	-77.9	0	0	0	111.3	F315 F317 Y322 I337 T343 L344 L371 G373	F315-W341 AromaticContact CD1-CH2 4Å; F315-W341 HydrophobicContact CD1-CH2 4Å; F315-W341 AromaticContact CE1-CH2 3.89Å; F315-W341 HydrophobicContact CE1-CH2 3.89Å; F317-W341 HydrophobicContact CE1-CZ3 4.05Å; F317-W341 HydrophobicContact CZ-CZ3 4.4Å; Y322-W341 AromaticContact CD1-CZ3 3.9Å; Y322-W341 HydrophobicContact CD1-CZ3 3.9Å; Y322-W341 HydrophobicContact CE1-CE3 4.4Å; Y322-W341 HydrophobicContact CE1-CH2 4.37Å; Y322-W341 AromaticContact CE1-CZ3 3.69Å; Y322-W341 HydrophobicContact CE1-CZ3 3.69Å; Y322-W341 HydrophobicContact CG-CZ3 4.5Å; I337-W341 HydrophobicContact CG2-CE3 4.34Å; I337-W341 PolarHBondContact O-N 3.36Å; W341-T343 PolarHBondContact O-N 2.77Å; W341-L344 HydrophobicContact CB-CB 4.16Å; W341-L344 HydrophobicContact CB-CD1 3.59Å; W341-L344 HydrophobicContact CB-CG 3.61Å; W341-L344 HydrophobicContact CD2-CD1 3.91Å; W341-L344 HydrophobicContact CE3-CD1 3.85Å; W341-L344 HydrophobicContact CG-CD1 3.85Å; W341-L344 HydrophobicContact CG-CG 4.31Å; W341-L344 WeakPolarHBondContact O-CB 3.15Å; W341-L344 PolarHBondContact O-N 3.49Å; W341-L371 HydrophobicContact CD2-CD1 4.21Å; W341-L371 HydrophobicContact CG-CD2 4.4Å; W341-L371 HydrophobicContact CZ2-CD1 3.89Å; W341-G373 PolarHBondContact NE1-O 2.85Å
342	P	85.2	Confident	90.1	Very high	36 Å²	36	29.1 Å²	29.1	23%	0.234	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-26.6	-174	-28.9	35.3	0	0	0	115.7	S226 F261 K338	S226-P342 WeakPolarHBondContact OG-CB 3.33Å; F261-P342 HydrophobicContact CD1-CB 4.27Å; F261-P342 HydrophobicContact CD1-CG 4.41Å; F261-P342 HydrophobicContact CE1-CB 4.38Å; K338-P342 PolarHBondContact NZ-O 3.49Å; K338-P342 WeakPolarHBondContact O-CA 3.46Å; K338-P342 WeakPolarHBondContact O-CG 3.38Å
343	T	88.3	Confident	90.6	Very high	95 Å²	95	29.7 Å²	29.7	58%	0.583	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.6	-179.7	57	0	0	0	0	114.7	W341 W369 V376	W341-T343 PolarHBondContact O-N 2.77Å; T343-W369 PolarHBondContact O-NE1 3.3Å; T343-V376 WeakPolarHBondContact OG1-CG2 3.45Å
344	L	92.3	Very high	91.2	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	15%	0.152	C	C	.	.	S	Bend	trans	-70.7	160.7	170.9	-76.6	-172.1	0	0	0	111.9	I337 K338 W341 I362 W369	I337-L344 HydrophobicContact CG2-CB 4.11Å; I337-L344 HydrophobicContact CG2-CD1 3.97Å; K338-L344 VanDerWaalsContact CE-O 3.25Å; K338-L344 WeakPolarHBondContact CE-O 3.12Å; K338-L344 PolarHBondContact NZ-O 3.29Å; W341-L344 HydrophobicContact CB-CB 4.16Å; W341-L344 HydrophobicContact CB-CD1 3.59Å; W341-L344 HydrophobicContact CB-CG 3.61Å; W341-L344 HydrophobicContact CD2-CD1 3.91Å; W341-L344 HydrophobicContact CE3-CD1 3.85Å; W341-L344 HydrophobicContact CG-CD1 3.85Å; W341-L344 HydrophobicContact CG-CG 4.31Å; W341-L344 WeakPolarHBondContact O-CB 3.15Å; W341-L344 PolarHBondContact O-N 3.49Å; L344-I362 HydrophobicContact CD1-CG1 4.5Å; L344-I362 HydrophobicContact CD1-CG2 4.35Å; L344-I362 HydrophobicContact CD2-CB 4.41Å; L344-I362 HydrophobicContact CD2-CG2 4.1Å; L344-W369 HydrophobicContact CD2-CB 3.79Å; L344-W369 HydrophobicContact CD2-CD2 3.85Å; L344-W369 HydrophobicContact CD2-CG 3.5Å; L344-W369 VanDerWaalsContact CD2-CG 3.5Å
345	P	92.1	Very high	91.3	Very high	26 Å²	26	28.9 Å²	28.9	17%	0.169	16%	0.156	C	C	.	.			trans	-60.5	170.5	163.9	30.5	-38.8	0	0	0	111.2	K347 W369	P345-K347 WeakPolarHBondContact CB-O 3.43Å; P345-K347 VanDerWaalsContact CG-O 3.28Å; P345-K347 WeakPolarHBondContact CG-O 3.41Å; P345-W369 HydrophobicContact CG-CH2 4.06Å; P345-W369 HydrophobicContact CG-CZ2 4.49Å; P345-W369 HydrophobicContact CG-CZ3 4.19Å
346	K	89.3	Confident	91.6	Very high	95 Å²	95	32 Å²	32	41%	0.413	17%	0.169	S	C	.	.	S	Bend	trans	-71	-49.7	173.4	-79.5	-160.6	171.3	-158.1	0	111.8	D319 S320 I337 K338	D319-K346 CarbonylContact O-C 3.55Å; S320-K346 WeakPolarHBondContact CA-O 3.38Å; I337-K346 WeakPolarHBondContact CD1-O 3.25Å; K338-K346 HydrophobicContact CD-CG 4.17Å
347	K	93.8	Very high	91.8	Very high	78 Å²	78	36.6 Å²	36.6	34%	0.339	19%	0.188	S	C	.	.	S	Bend	trans	-100.3	141.7	175.5	175.4	162.8	174.2	140.4	0	110.4	D305 P345 S364	D305-K347 IonicContact OD1-NZ 2.62Å; D305-K347 PolarHBondContact OD1-NZ 3.07Å; D305-K347 WeakPolarHBondContact OD2-CD 3.4Å; D305-K347 WeakPolarHBondContact OD2-CE 3.47Å; D305-K347 IonicContact OD2-NZ 2.71Å; D305-K347 PolarHBondContact OD2-NZ 2.81Å; P345-K347 WeakPolarHBondContact CB-O 3.43Å; P345-K347 VanDerWaalsContact CG-O 3.28Å; P345-K347 WeakPolarHBondContact CG-O 3.41Å; K347-S364 PolarHBondContact O-OG 3.23Å
348	V	97.1	Very high	91.9	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.201	C	C	.	.			trans	-96.4	142.4	166	174.6	0	0	0	0	107.6	A306 F317 I337 A350 A351 I362	A306-V348 HydrophobicContact CB-CB 4.45Å; A306-V348 HydrophobicContact CB-CG1 3.68Å; F317-V348 HydrophobicContact CB-CB 4.13Å; F317-V348 HydrophobicContact CD1-CB 4.16Å; F317-V348 HydrophobicContact CD1-CG2 3.7Å; F317-V348 HydrophobicContact CD2-CG1 4.39Å; F317-V348 HydrophobicContact CE1-CG2 4.02Å; F317-V348 HydrophobicContact CG-CB 4.04Å; F317-V348 HydrophobicContact CG-CG1 4.35Å; F317-V348 HydrophobicContact CG-CG2 4.09Å; I337-V348 HydrophobicContact CD1-CG2 4.37Å; V348-A350 VanDerWaalsContact CG1-O 3.27Å; V348-A350 WeakPolarHBondContact CG1-O 3.17Å; V348-A351 HydrophobicContact CG1-CB 4.42Å; V348-I362 HydrophobicContact CB-CG2 4.35Å; V348-I362 HydrophobicContact CG1-CG2 3.85Å; V348-I362 HydrophobicContact CG2-CG2 3.65Å
349	D	97.9	Very high	92.4	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.123	20%	0.201	C	C	.	.	S	Bend	trans	-106.4	-22.4	180	-69.4	-32.9	0	0	0	113.2	D305 F363 S364 G365 K395 I396 D397	D305-D349 CarbonylContact O-C 3.54Å; D349-F363 PolarHBondContact N-O 2.91Å; D349-S364 WeakPolarHBondContact OD2-CA 3.43Å; D349-G365 PolarHBondContact OD2-N 3.28Å; D349-K395 HydrophobicContact CB-CD 4.08Å; D349-K395 HydrophobicContact CB-CG 3.83Å; D349-I396 CarbonylContact C-O 3.54Å; D349-D397 VanDerWaalsContact O-O 3.09Å
350	A	98.3	Very high	93.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	157.9	170	0	0	0	0	0	109.7	V348 F363 I396 A399	V348-A350 VanDerWaalsContact CG1-O 3.27Å; V348-A350 WeakPolarHBondContact CG1-O 3.17Å; A350-F363 HydrophobicContact CB-CB 4.15Å; A350-F363 HydrophobicContact CB-CD2 4.17Å; A350-F363 HydrophobicContact CB-CG 4.49Å; A350-F363 PolarHBondContact O-N 2.85Å; A350-I396 HydrophobicContact CB-CB 4.47Å; A350-I396 HydrophobicContact CB-CG2 4.23Å; A350-I396 WeakPolarHBondContact CB-O 3.49Å; A350-A399 HydrophobicContact CB-CB 4.03Å
351	A	98	Very high	93.6	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.7	176.9	0	0	0	0	0	111.7	A306 T308 F317 V348 F361 I362	A306-A351 HydrophobicContact CB-CB 4.05Å; T308-A351 HydrophobicContact CG2-CB 3.89Å; F317-A351 HydrophobicContact CD2-CB 4.38Å; F317-A351 HydrophobicContact CE2-CB 4.03Å; V348-A351 HydrophobicContact CG1-CB 4.42Å; A351-F361 CarbonylContact C-O 3.46Å; A351-F361 VanDerWaalsContact CA-O 3.23Å; A351-F361 WeakPolarHBondContact CA-O 3.24Å; A351-I362 HydrophobicContact CB-CD1 3.71Å
352	Y	97.3	Very high	94	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	151.2	166.5	72.2	-92.6	0	0	0	112.9	T308 V360 F361 F363 A399 H401 T408 L410 E421	T308-Y352 VanDerWaalsContact OG1-CA 3.3Å; T308-Y352 WeakPolarHBondContact OG1-CA 3.16Å; Y352-V360 CarbonylContact O-C 3.43Å; Y352-V360 WeakPolarHBondContact O-CA 3.08Å; Y352-F361 HydrophobicContact CD1-CB 4.01Å; Y352-F361 HydrophobicContact CD2-CD2 4.33Å; Y352-F361 HydrophobicContact CE1-CB 3.64Å; Y352-F361 HydrophobicContact CE1-CD2 4.27Å; Y352-F361 HydrophobicContact CE1-CG 4.11Å; Y352-F361 HydrophobicContact CE2-CB 4.29Å; Y352-F361 AromaticContact CE2-CD2 3.54Å; Y352-F361 HydrophobicContact CE2-CD2 3.54Å; Y352-F361 HydrophobicContact CE2-CE2 4.24Å; Y352-F361 HydrophobicContact CE2-CG 4.21Å; Y352-F361 HydrophobicContact CG-CB 4.49Å; Y352-F361 AromaticContact CZ-CD2 3.48Å; Y352-F361 VanDerWaalsContact CZ-CD2 3.48Å; Y352-F361 AromaticContact CZ-CG 3.73Å; Y352-F361 PolarHBondContact N-O 3.34Å; Y352-F361 PolarHBondContact O-N 3.1Å; Y352-F361 WeakPolarHBondContact OH-CD2 3.4Å; Y352-F363 AromaticContact CD1-CE2 3.76Å; Y352-F363 HydrophobicContact CD1-CE2 3.76Å; Y352-F363 HydrophobicContact CD1-CZ 4.46Å; Y352-F363 AromaticContact CE1-CE2 3.55Å; Y352-F363 HydrophobicContact CE1-CE2 3.55Å; Y352-F363 AromaticContact CE1-CZ 3.8Å; Y352-F363 HydrophobicContact CE1-CZ 3.8Å; Y352-A399 HydrophobicContact CD1-CB 3.76Å; Y352-H401 HydrophobicContact CD2-CB 3.94Å; Y352-T408 HydrophobicContact CD1-CG2 3.86Å; Y352-T408 HydrophobicContact CD2-CG2 4.01Å; Y352-T408 HydrophobicContact CE1-CG2 3.5Å; Y352-T408 VanDerWaalsContact CE1-CG2 3.5Å; Y352-T408 HydrophobicContact CE2-CG2 3.68Å; Y352-T408 HydrophobicContact CG-CG2 4.11Å; Y352-T408 VanDerWaalsContact CZ-CG2 3.43Å; Y352-L410 HydrophobicContact CE1-CD2 4.21Å; Y352-E421 PolarHBondContact OH-OE1 3.01Å
353	E	95.9	Very high	94.7	Very high	23 Å²	23	34.5 Å²	34.5	11%	0.107	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.3	169.2	-164	178.2	-152.9	0	0	111.2	T308 E309 L310 R311 P355 L359 V360 H401	T308-E353 PolarHBondContact OG1-N 2.73Å; E309-E353 WeakPolarHBondContact O-CB 3.3Å; L310-E353 WeakPolarHBondContact CA-OE1 3.21Å; R311-E353 PolarHBondContact N-OE1 3.22Å; E353-P355 HydrophobicContact CG-CG 4.02Å; E353-L359 CarbonylContact C-O 3.52Å; E353-V360 HydrophobicContact CB-CG2 4.11Å; E353-V360 HydrophobicContact CG-CG2 4.03Å; E353-H401 WeakPolarHBondContact O-CB 3.35Å
354	Y	95.1	Very high	95.1	Very high	24 Å²	24	31.3 Å²	31.3	9%	0.094	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	88.1	162.6	-175.3	-116.7	0	0	0	109.8	E356 K357 D358 L359 H401 E421	Y354-E356 HydrophobicContact CE1-CB 3.84Å; Y354-E356 HydrophobicContact CE2-CB 4.09Å; Y354-E356 PolarHBondContact O-N 3.14Å; Y354-E356 VanDerWaalsContact O-N 3.16Å; Y354-K357 HydrophobicContact CD1-CB 3.85Å; Y354-K357 HydrophobicContact CD1-CD 3.72Å; Y354-K357 HydrophobicContact CD1-CG 3.89Å; Y354-K357 HydrophobicContact CE1-CB 4.06Å; Y354-K357 HydrophobicContact CE1-CD 3.46Å; Y354-K357 VanDerWaalsContact CE1-CD 3.46Å; Y354-K357 VanDerWaalsContact CE1-CE 3.47Å; Y354-K357 HydrophobicContact CE1-CG 3.59Å; Y354-K357 PolarHBondContact O-N 2.91Å; Y354-D358 PolarHBondContact O-N 3.37Å; Y354-L359 PolarHBondContact N-O 3.02Å; Y354-L359 PolarHBondContact O-N 2.8Å; Y354-H401 AromaticContact CD2-CE1 3.59Å; Y354-H401 AromaticContact CD2-ND1 3.75Å; Y354-H401 AromaticContact CD2-NE2 3.8Å; Y354-H401 AromaticContact CE2-CE1 3.59Å; Y354-H401 AromaticContact CE2-NE2 3.8Å; Y354-E421 HydrophobicContact CD2-CB 4.15Å; Y354-E421 HydrophobicContact CD2-CG 3.71Å; Y354-E421 HydrophobicContact CE1-CB 4.4Å; Y354-E421 HydrophobicContact CE2-CB 3.42Å; Y354-E421 VanDerWaalsContact CE2-CB 3.42Å; Y354-E421 HydrophobicContact CE2-CG 3.51Å; Y354-E421 HydrophobicContact CG-CG 4.41Å
355	P	91.5	Very high	95.3	Very high	45 Å²	45	32.2 Å²	32.2	29%	0.292	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-60	-31	-169.2	-25.9	34.7	0	0	0	114.1	E353 K357 D358	E353-P355 HydrophobicContact CG-CG 4.02Å; P355-K357 PolarHBondContact O-N 2.58Å; P355-K357 VanDerWaalsContact O-N 3.17Å; P355-D358 PolarHBondContact O-N 2.96Å
356	E	90.8	Very high	95.6	Very high	96 Å²	96	34.1 Å²	34.1	45%	0.449	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-66	-14.9	-177.9	-73.8	60.7	-140.5	0	0	113.9	Y354 K403	Y354-E356 HydrophobicContact CE1-CB 3.84Å; Y354-E356 HydrophobicContact CE2-CB 4.09Å; Y354-E356 PolarHBondContact O-N 3.14Å; Y354-E356 VanDerWaalsContact O-N 3.16Å; E356-K403 WeakPolarHBondContact OE1-CE 3.27Å; E356-K403 IonicContact OE1-NZ 3.29Å; E356-K403 PolarHBondContact OE1-NZ 2.69Å
357	K	91.2	Very high	96	Very high	109 Å²	109	34.5 Å²	34.5	47%	0.474	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-119	5	168.6	-68.2	163.9	-162.3	129.6	0	112.9	Y354 P355 L359 E421	Y354-K357 HydrophobicContact CD1-CB 3.85Å; Y354-K357 HydrophobicContact CD1-CD 3.72Å; Y354-K357 HydrophobicContact CD1-CG 3.89Å; Y354-K357 HydrophobicContact CE1-CB 4.06Å; Y354-K357 HydrophobicContact CE1-CD 3.46Å; Y354-K357 VanDerWaalsContact CE1-CD 3.46Å; Y354-K357 VanDerWaalsContact CE1-CE 3.47Å; Y354-K357 HydrophobicContact CE1-CG 3.59Å; Y354-K357 PolarHBondContact O-N 2.91Å; P355-K357 PolarHBondContact O-N 2.58Å; P355-K357 VanDerWaalsContact O-N 3.17Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 HydrophobicContact CB-CD1 3.96Å; K357-L359 HydrophobicContact CB-CG 3.97Å; K357-L359 HydrophobicContact CD-CD1 4.48Å; K357-L359 PolarHBondContact O-N 2.87Å; K357-E421 PolarHBondContact NZ-O 2.89Å; K357-E421 IonicContact NZ-OE2 2.86Å
358	D	93	Very high	96.2	Very high	53 Å²	53	31 Å²	31	28%	0.283	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	49.6	-173.6	-176.6	43.2	0	0	0	111.4	R311 Y354 P355 N372	R311-D358 IonicContact CZ-OD1 3.71Å; R311-D358 IonicContact CZ-OD2 3.77Å; R311-D358 IonicContact NE-OD1 3.73Å; R311-D358 PolarHBondContact NE-OD1 3.46Å; R311-D358 IonicContact NE-OD2 2.67Å; R311-D358 VanDerWaalsContact NH2-CG 3.33Å; R311-D358 IonicContact NH2-OD1 3.22Å; R311-D358 PolarHBondContact NH2-OD1 3.1Å; R311-D358 VanDerWaalsContact NH2-OD1 3.17Å; R311-D358 IonicContact NH2-OD2 2.61Å; R311-D358 PolarHBondContact NH2-OD2 3.03Å; Y354-D358 PolarHBondContact O-N 3.37Å; P355-D358 PolarHBondContact O-N 2.96Å; D358-N372 VanDerWaalsContact CG-ND2 3.35Å; D358-N372 PolarHBondContact O-ND2 3.29Å; D358-N372 PolarHBondContact OD2-ND2 3.13Å
359	L	95.4	Very high	96.2	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.131	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140	-178.1	-67.1	-179.2	0	0	0	112	E353 Y354 K357 F361 L371 N372 V377	E353-L359 CarbonylContact C-O 3.52Å; Y354-L359 PolarHBondContact N-O 3.02Å; Y354-L359 PolarHBondContact O-N 2.8Å; K357-L359 VanDerWaalsContact C-N 3.33Å; K357-L359 HydrophobicContact CB-CD1 3.96Å; K357-L359 HydrophobicContact CB-CG 3.97Å; K357-L359 HydrophobicContact CD-CD1 4.48Å; K357-L359 PolarHBondContact O-N 2.87Å; L359-F361 HydrophobicContact CB-CE2 4.15Å; L359-F361 HydrophobicContact CD1-CE2 4.29Å; L359-F361 HydrophobicContact CD1-CZ 4.15Å; L359-L371 VanDerWaalsContact CA-O 3.28Å; L359-L371 WeakPolarHBondContact CA-O 3.33Å; L359-L371 WeakPolarHBondContact CD2-O 3.16Å; L359-N372 HydrophobicContact CD2-CB 4.35Å; L359-V377 HydrophobicContact CD2-CG2 3.72Å
360	V	96.8	Very high	96.2	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.2	161.4	168	0	0	0	0	109.2	T308 L310 Y352 E353 I362 A370 L371	T308-V360 HydrophobicContact CG2-CG1 4.05Å; L310-V360 HydrophobicContact CB-CG2 4.05Å; L310-V360 HydrophobicContact CD1-CG2 3.7Å; L310-V360 HydrophobicContact CG-CG2 4.34Å; Y352-V360 CarbonylContact O-C 3.43Å; Y352-V360 WeakPolarHBondContact O-CA 3.08Å; E353-V360 HydrophobicContact CB-CG2 4.11Å; E353-V360 HydrophobicContact CG-CG2 4.03Å; V360-I362 HydrophobicContact CG1-CD1 3.72Å; V360-I362 HydrophobicContact CG1-CG1 4.24Å; V360-A370 CarbonylContact O-C 3.5Å; V360-A370 WeakPolarHBondContact O-CA 3.4Å; V360-L371 HydrophobicContact CB-CB 4.4Å; V360-L371 HydrophobicContact CG1-CD1 4.43Å; V360-L371 PolarHBondContact N-O 3.27Å; V360-L371 PolarHBondContact O-N 2.84Å
361	F	97.6	Very high	96.1	Very high	15 Å²	15	31 Å²	31	7%	0.066	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	172.7	-72.3	-89.4	0	0	0	110	A351 Y352 L359 F363 W369 A370 Y380	A351-F361 CarbonylContact C-O 3.46Å; A351-F361 VanDerWaalsContact CA-O 3.23Å; A351-F361 WeakPolarHBondContact CA-O 3.24Å; Y352-F361 HydrophobicContact CD1-CB 4.01Å; Y352-F361 HydrophobicContact CD2-CD2 4.33Å; Y352-F361 HydrophobicContact CE1-CB 3.64Å; Y352-F361 HydrophobicContact CE1-CD2 4.27Å; Y352-F361 HydrophobicContact CE1-CG 4.11Å; Y352-F361 HydrophobicContact CE2-CB 4.29Å; Y352-F361 AromaticContact CE2-CD2 3.54Å; Y352-F361 HydrophobicContact CE2-CD2 3.54Å; Y352-F361 HydrophobicContact CE2-CE2 4.24Å; Y352-F361 HydrophobicContact CE2-CG 4.21Å; Y352-F361 HydrophobicContact CG-CB 4.49Å; Y352-F361 AromaticContact CZ-CD2 3.48Å; Y352-F361 VanDerWaalsContact CZ-CD2 3.48Å; Y352-F361 AromaticContact CZ-CG 3.73Å; Y352-F361 PolarHBondContact N-O 3.34Å; Y352-F361 PolarHBondContact O-N 3.1Å; Y352-F361 WeakPolarHBondContact OH-CD2 3.4Å; L359-F361 HydrophobicContact CB-CE2 4.15Å; L359-F361 HydrophobicContact CD1-CE2 4.29Å; L359-F361 HydrophobicContact CD1-CZ 4.15Å; F361-F363 HydrophobicContact CB-CE2 3.89Å; F361-F363 HydrophobicContact CB-CZ 4.19Å; F361-W369 WeakPolarHBondContact CA-O 3.24Å; F361-A370 HydrophobicContact CD1-CB 4.04Å; F361-A370 HydrophobicContact CE1-CB 3.88Å; F361-A370 HydrophobicContact CZ-CB 4.41Å; F361-Y380 HydrophobicContact CE1-CE1 4.36Å
362	I	98.1	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.2	179.9	-60.9	-60.4	0	0	0	108.6	F317 L344 V348 A351 V360 M368 W369 L371	F317-I362 HydrophobicContact CE2-CD1 4.08Å; F317-I362 HydrophobicContact CZ-CD1 3.83Å; L344-I362 HydrophobicContact CD1-CG1 4.5Å; L344-I362 HydrophobicContact CD1-CG2 4.35Å; L344-I362 HydrophobicContact CD2-CB 4.41Å; L344-I362 HydrophobicContact CD2-CG2 4.1Å; V348-I362 HydrophobicContact CB-CG2 4.35Å; V348-I362 HydrophobicContact CG1-CG2 3.85Å; V348-I362 HydrophobicContact CG2-CG2 3.65Å; A351-I362 HydrophobicContact CB-CD1 3.71Å; V360-I362 HydrophobicContact CG1-CD1 3.72Å; V360-I362 HydrophobicContact CG1-CG1 4.24Å; I362-M368 CarbonylContact O-C 3.55Å; I362-M368 VanDerWaalsContact O-CA 3.24Å; I362-M368 WeakPolarHBondContact O-CA 3.47Å; I362-W369 HydrophobicContact CB-CB 4.4Å; I362-W369 PolarHBondContact N-O 3.34Å; I362-W369 PolarHBondContact O-N 3.11Å; I362-L371 HydrophobicContact CD1-CD1 4.18Å; I362-L371 HydrophobicContact CG1-CD1 3.58Å; I362-L371 HydrophobicContact CG1-CG 4.02Å
363	F	98.3	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.6	179.9	-63.2	-86.3	0	0	0	111.7	D349 A350 Y352 F361 R367 M368 I384 L387 I396 A399	D349-F363 PolarHBondContact N-O 2.91Å; A350-F363 HydrophobicContact CB-CB 4.15Å; A350-F363 HydrophobicContact CB-CD2 4.17Å; A350-F363 HydrophobicContact CB-CG 4.49Å; A350-F363 PolarHBondContact O-N 2.85Å; Y352-F363 AromaticContact CD1-CE2 3.76Å; Y352-F363 HydrophobicContact CD1-CE2 3.76Å; Y352-F363 HydrophobicContact CD1-CZ 4.46Å; Y352-F363 AromaticContact CE1-CE2 3.55Å; Y352-F363 HydrophobicContact CE1-CE2 3.55Å; Y352-F363 AromaticContact CE1-CZ 3.8Å; Y352-F363 HydrophobicContact CE1-CZ 3.8Å; F361-F363 HydrophobicContact CB-CE2 3.89Å; F361-F363 HydrophobicContact CB-CZ 4.19Å; F363-R367 WeakPolarHBondContact CA-O 3.21Å; F363-M368 HydrophobicContact CD1-CB 3.67Å; F363-M368 HydrophobicContact CE1-CB 3.45Å; F363-M368 VanDerWaalsContact CE1-CB 3.45Å; F363-M368 HydrophobicContact CE1-CE 4.49Å; F363-M368 HydrophobicContact CZ-CB 4.2Å; F363-I384 HydrophobicContact CD1-CG2 3.71Å; F363-I384 HydrophobicContact CE1-CG2 4.08Å; F363-L387 HydrophobicContact CE1-CD1 4.01Å; F363-L387 HydrophobicContact CZ-CD1 4.14Å; F363-I396 HydrophobicContact CD1-CD1 3.69Å; F363-I396 HydrophobicContact CD1-CG1 4.45Å; F363-I396 HydrophobicContact CE1-CD1 3.69Å; F363-I396 HydrophobicContact CG-CD1 4.28Å; F363-I396 HydrophobicContact CZ-CD1 4.32Å; F363-A399 HydrophobicContact CE2-CB 4.5Å
364	S	97.9	Very high	94.8	Very high	28 Å²	28	40.4 Å²	40.4	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	118	164.8	-178.7	0	0	0	0	110.6	K347 D349 I366 R367	K347-S364 PolarHBondContact O-OG 3.23Å; D349-S364 WeakPolarHBondContact OD2-CA 3.43Å; S364-I366 PolarHBondContact O-N 2.86Å; S364-R367 PolarHBondContact N-O 3.46Å; S364-R367 PolarHBondContact O-N 3.43Å; S364-R367 VanDerWaalsContact O-N 3.09Å
365	G	97.2	Very high	94.5	Very high	22 Å²	22	42 Å²	42	23%	0.227	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-131.1	-167.2	0	0	0	0	0	111.7	D349 R367 R394	D349-G365 PolarHBondContact OD2-N 3.28Å; G365-R367 PolarHBondContact O-N 2.99Å; G365-R394 CarbonylContact C-O 3.57Å; G365-R394 WeakPolarHBondContact CA-O 3.43Å
366	I	97.4	Very high	94.6	Very high	66 Å²	66	42 Å²	42	34%	0.338	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	6.2	-177.4	62.2	172.4	0	0	0	114.7	S364 Y383 I384 R394	S364-I366 PolarHBondContact O-N 2.86Å; I366-Y383 HydrophobicContact CB-CD1 4.47Å; I366-Y383 HydrophobicContact CD1-CD1 4.02Å; I366-Y383 HydrophobicContact CD1-CE1 3.8Å; I366-Y383 HydrophobicContact CG1-CD1 4.16Å; I366-Y383 HydrophobicContact CG1-CE1 4.28Å; I366-Y383 CarbonylContact O-C 3.54Å; I366-Y383 VanDerWaalsContact O-CA 3.25Å; I366-Y383 WeakPolarHBondContact O-CA 3.26Å; I366-Y383 WeakPolarHBondContact O-CD1 3.16Å; I366-I384 PolarHBondContact O-N 2.89Å; I366-R394 WeakPolarHBondContact CG2-O 3.28Å; I366-R394 PolarHBondContact N-O 3.03Å
367	R	97.9	Very high	94.8	Very high	103 Å²	103	39.7 Å²	39.7	39%	0.389	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.1	-175.5	-69.9	-174.9	-178.6	87.8	0.1	113.3	F363 S364 G365 W369 P381 K382 Y383	F363-R367 WeakPolarHBondContact CA-O 3.21Å; S364-R367 PolarHBondContact N-O 3.46Å; S364-R367 PolarHBondContact O-N 3.43Å; S364-R367 VanDerWaalsContact O-N 3.09Å; G365-R367 PolarHBondContact O-N 2.99Å; R367-W369 HydrophobicContact CB-CE3 4.26Å; R367-W369 HydrophobicContact CB-CH2 3.59Å; R367-W369 HydrophobicContact CB-CZ2 4.47Å; R367-W369 HydrophobicContact CB-CZ3 3.47Å; R367-W369 VanDerWaalsContact CB-CZ3 3.47Å; R367-W369 HydrophobicContact CG-CH2 4.41Å; R367-P381 HydrophobicContact CB-CB 4.33Å; R367-P381 HydrophobicContact CG-CB 4.5Å; R367-K382 CarbonylContact C-O 3.52Å; R367-K382 VanDerWaalsContact CA-O 3.28Å; R367-K382 WeakPolarHBondContact CA-O 3.49Å; R367-Y383 HydrophobicContact CG-CD1 4.45Å
368	M	97.6	Very high	95	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.7	165.7	81.9	-171	66.8	0	0	110	I362 F363 Y380 P381 K382 Y383 L387	I362-M368 CarbonylContact O-C 3.55Å; I362-M368 VanDerWaalsContact O-CA 3.24Å; I362-M368 WeakPolarHBondContact O-CA 3.47Å; F363-M368 HydrophobicContact CD1-CB 3.67Å; F363-M368 HydrophobicContact CE1-CB 3.45Å; F363-M368 VanDerWaalsContact CE1-CB 3.45Å; F363-M368 HydrophobicContact CE1-CE 4.49Å; F363-M368 HydrophobicContact CZ-CB 4.2Å; M368-Y380 HydrophobicContact CG-CD1 4.01Å; M368-Y380 HydrophobicContact CG-CE1 3.83Å; M368-Y380 HydrophobicContact SD-CE1 3.95Å; M368-P381 CarbonylContact O-C 3.59Å; M368-P381 WeakPolarHBondContact O-CA 3.41Å; M368-P381 VanDerWaalsContact O-CB 3.31Å; M368-P381 WeakPolarHBondContact O-CB 3.46Å; M368-K382 HydrophobicContact CG-CB 4Å; M368-K382 PolarHBondContact N-O 3.27Å; M368-K382 PolarHBondContact O-N 3.03Å; M368-K382 HydrophobicContact SD-CB 4.18Å; M368-Y383 WeakPolarHBondContact CE-O 3.31Å; M368-L387 HydrophobicContact CE-CD1 4.01Å; M368-L387 HydrophobicContact CE-CD2 3.95Å; M368-L387 HydrophobicContact CE-CG 3.64Å; M368-L387 HydrophobicContact SD-CD2 4.26Å
369	W	97.8	Very high	95	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.076	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	158.8	163.7	-65.5	-113.7	0	0	0	108.2	T343 L344 P345 F361 I362 R367 P381	T343-W369 PolarHBondContact O-NE1 3.3Å; L344-W369 HydrophobicContact CD2-CB 3.79Å; L344-W369 HydrophobicContact CD2-CD2 3.85Å; L344-W369 HydrophobicContact CD2-CG 3.5Å; L344-W369 VanDerWaalsContact CD2-CG 3.5Å; P345-W369 HydrophobicContact CG-CH2 4.06Å; P345-W369 HydrophobicContact CG-CZ2 4.49Å; P345-W369 HydrophobicContact CG-CZ3 4.19Å; F361-W369 WeakPolarHBondContact CA-O 3.24Å; I362-W369 HydrophobicContact CB-CB 4.4Å; I362-W369 PolarHBondContact N-O 3.34Å; I362-W369 PolarHBondContact O-N 3.11Å; R367-W369 HydrophobicContact CB-CE3 4.26Å; R367-W369 HydrophobicContact CB-CH2 3.59Å; R367-W369 HydrophobicContact CB-CZ2 4.47Å; R367-W369 HydrophobicContact CB-CZ3 3.47Å; R367-W369 VanDerWaalsContact CB-CZ3 3.47Å; R367-W369 HydrophobicContact CG-CH2 4.41Å; W369-P381 HydrophobicContact CD2-CB 3.84Å; W369-P381 HydrophobicContact CE3-CB 4.42Å; W369-P381 HydrophobicContact CG-CB 4.14Å; W369-P381 HydrophobicContact CH2-CB 4.45Å; W369-P381 HydrophobicContact CZ2-CB 3.9Å; W369-P381 HydrophobicContact CZ2-CG 4.06Å
370	A	97	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.8	164.7	0	0	0	0	0	108.8	V360 F361 V377 Y380	V360-A370 CarbonylContact O-C 3.5Å; V360-A370 WeakPolarHBondContact O-CA 3.4Å; F361-A370 HydrophobicContact CD1-CB 4.04Å; F361-A370 HydrophobicContact CE1-CB 3.88Å; F361-A370 HydrophobicContact CZ-CB 4.41Å; A370-V377 HydrophobicContact CB-CB 4.24Å; A370-V377 HydrophobicContact CB-CG2 4.21Å; A370-V377 PolarHBondContact O-N 2.57Å; A370-Y380 HydrophobicContact CB-CD1 4.26Å; A370-Y380 HydrophobicContact CB-CD2 3.88Å; A370-Y380 HydrophobicContact CB-CE1 3.94Å; A370-Y380 HydrophobicContact CB-CE2 3.49Å; A370-Y380 VanDerWaalsContact CB-CE2 3.49Å; A370-Y380 HydrophobicContact CB-CG 4.23Å
371	L	95.7	Very high	95.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.1	-177.9	-52.9	179.4	0	0	0	109.7	W341 L359 V360 I362 A375 V376	W341-L371 HydrophobicContact CD2-CD1 4.21Å; W341-L371 HydrophobicContact CG-CD2 4.4Å; W341-L371 HydrophobicContact CZ2-CD1 3.89Å; L359-L371 VanDerWaalsContact CA-O 3.28Å; L359-L371 WeakPolarHBondContact CA-O 3.33Å; L359-L371 WeakPolarHBondContact CD2-O 3.16Å; V360-L371 HydrophobicContact CB-CB 4.4Å; V360-L371 HydrophobicContact CG1-CD1 4.43Å; V360-L371 PolarHBondContact N-O 3.27Å; V360-L371 PolarHBondContact O-N 2.84Å; I362-L371 HydrophobicContact CD1-CD1 4.18Å; I362-L371 HydrophobicContact CG1-CD1 3.58Å; I362-L371 HydrophobicContact CG1-CG 4.02Å; L371-A375 CarbonylContact C-O 3.55Å; L371-A375 WeakPolarHBondContact CA-O 3.21Å; L371-V376 HydrophobicContact CD2-CB 4.42Å; L371-V376 HydrophobicContact CD2-CG2 3.7Å
372	N	92.4	Very high	95.1	Very high	62 Å²	62	49.4 Å²	49.4	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	97.5	158.8	-176.7	-86.7	0	0	0	107.1	R311 D358 L359 Y374 A375	R311-N372 PolarHBondContact NH2-OD1 3.28Å; D358-N372 VanDerWaalsContact CG-ND2 3.35Å; D358-N372 PolarHBondContact O-ND2 3.29Å; D358-N372 PolarHBondContact OD2-ND2 3.13Å; L359-N372 HydrophobicContact CD2-CB 4.35Å; N372-Y374 PolarHBondContact O-N 3.05Å; N372-A375 PolarHBondContact N-O 3.32Å; N372-A375 PolarHBondContact O-N 3.46Å
373	G	87.1	Confident	95.1	Very high	8 Å²	8	54.5 Å²	54.5	8%	0.082	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	-122.2	-166.1	0	0	0	0	0	111.9	W341 A375	W341-G373 PolarHBondContact NE1-O 2.85Å; G373-A375 VanDerWaalsContact C-N 3.33Å; G373-A375 PolarHBondContact O-N 3.16Å
374	Y	85.3	Confident	95	Very high	158 Å²	158	54.7 Å²	54.7	62%	0.62	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15	179.9	-53.8	-56.1	0	0	0	114.3	T340 N372	T340-Y374 HydrophobicContact CG2-CD1 3.53Å; T340-Y374 HydrophobicContact CG2-CE1 3.8Å; N372-Y374 PolarHBondContact O-N 3.05Å
375	A	88.8	Confident	94.9	Very high	58 Å²	58	56.8 Å²	56.8	48%	0.479	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.4	-177.4	0	0	0	0	0	112.3	L371 N372 G373	L371-A375 CarbonylContact C-O 3.55Å; L371-A375 WeakPolarHBondContact CA-O 3.21Å; N372-A375 PolarHBondContact N-O 3.32Å; N372-A375 PolarHBondContact O-N 3.46Å; G373-A375 VanDerWaalsContact C-N 3.33Å; G373-A375 PolarHBondContact O-N 3.16Å
376	V	93.2	Very high	94.9	Very high	44 Å²	44	62.8 Å²	62.8	27%	0.267	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.9	165.9	-179.8	0	0	0	0	109	T343 L371	T343-V376 WeakPolarHBondContact OG1-CG2 3.45Å; L371-V376 HydrophobicContact CD2-CB 4.42Å; L371-V376 HydrophobicContact CD2-CG2 3.7Å
377	V	95.7	Very high	94.8	Very high	48 Å²	48	60.3 Å²	60.3	29%	0.291	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-71.2	141.6	-175.8	178.2	0	0	0	0	111.6	L359 A370 Y380	L359-V377 HydrophobicContact CD2-CG2 3.72Å; A370-V377 HydrophobicContact CB-CB 4.24Å; A370-V377 HydrophobicContact CB-CG2 4.21Å; A370-V377 PolarHBondContact O-N 2.57Å; V377-Y380 HydrophobicContact CB-CD2 3.86Å; V377-Y380 HydrophobicContact CB-CE2 4.11Å; V377-Y380 HydrophobicContact CG1-CD2 4.04Å; V377-Y380 HydrophobicContact CG1-CE2 3.98Å; V377-Y380 WeakPolarHBondContact O-CB 3.44Å; V377-Y380 WeakPolarHBondContact O-CD2 3.14Å; V377-Y380 PolarHBondContact O-N 2.87Å
378	D	94.7	Very high	94.6	Very high	160 Å²	160	58 Å²	58	86%	0.856	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	142.8	178.2	-90.5	-39.3	0	0	0	113.7	Y380	D378-Y380 VanDerWaalsContact C-N 3.28Å; D378-Y380 PolarHBondContact O-N 3.42Å
379	G	94.3	Very high	94.6	Very high	61 Å²	61	58.1 Å²	58.1	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	12.1	-178.4	0	0	0	0	0	114.8	K382	G379-K382 WeakPolarHBondContact O-CE 3.29Å; G379-K382 VanDerWaalsContact O-CG 3.29Å; G379-K382 WeakPolarHBondContact O-CG 3.36Å
380	Y	95.9	Very high	94.5	Very high	49 Å²	49	59.9 Å²	59.9	19%	0.192	33%	0.333	C	S	.	.			trans	-102.6	156.7	163.9	-71.2	-87.8	0	0	0	111.2	F361 M368 A370 V377 D378 K382	F361-Y380 HydrophobicContact CE1-CE1 4.36Å; M368-Y380 HydrophobicContact CG-CD1 4.01Å; M368-Y380 HydrophobicContact CG-CE1 3.83Å; M368-Y380 HydrophobicContact SD-CE1 3.95Å; A370-Y380 HydrophobicContact CB-CD1 4.26Å; A370-Y380 HydrophobicContact CB-CD2 3.88Å; A370-Y380 HydrophobicContact CB-CE1 3.94Å; A370-Y380 HydrophobicContact CB-CE2 3.49Å; A370-Y380 VanDerWaalsContact CB-CE2 3.49Å; A370-Y380 HydrophobicContact CB-CG 4.23Å; V377-Y380 HydrophobicContact CB-CD2 3.86Å; V377-Y380 HydrophobicContact CB-CE2 4.11Å; V377-Y380 HydrophobicContact CG1-CD2 4.04Å; V377-Y380 HydrophobicContact CG1-CE2 3.98Å; V377-Y380 WeakPolarHBondContact O-CB 3.44Å; V377-Y380 WeakPolarHBondContact O-CD2 3.14Å; V377-Y380 PolarHBondContact O-N 2.87Å; D378-Y380 VanDerWaalsContact C-N 3.28Å; D378-Y380 PolarHBondContact O-N 3.42Å; Y380-K382 HydrophobicContact CD1-CB 4.12Å; Y380-K382 HydrophobicContact CD1-CD 3.83Å; Y380-K382 HydrophobicContact CD1-CG 3.69Å; Y380-K382 HydrophobicContact CE1-CB 4.21Å; Y380-K382 HydrophobicContact CE1-CD 3.45Å; Y380-K382 VanDerWaalsContact CE1-CD 3.45Å; Y380-K382 HydrophobicContact CE1-CG 3.83Å; Y380-K382 HydrophobicContact CE2-CD 4.4Å; Y380-K382 HydrophobicContact CG-CD 4.43Å; Y380-K382 HydrophobicContact CG-CG 4.3Å; Y380-K382 VanDerWaalsContact CZ-CE 3.45Å; Y380-K382 PolarHBondContact OH-NZ 3.14Å; Y380-K382 VanDerWaalsContact OH-NZ 3.08Å
381	P	97	Very high	94.4	Very high	65 Å²	65	67.5 Å²	67.5	42%	0.422	37%	0.366	S	S	.	.			cis	-71.5	149.5	-0.3	26.6	-33.5	0	0	0	115	R367 M368 W369	R367-P381 HydrophobicContact CB-CB 4.33Å; R367-P381 HydrophobicContact CG-CB 4.5Å; M368-P381 CarbonylContact O-C 3.59Å; M368-P381 WeakPolarHBondContact O-CA 3.41Å; M368-P381 VanDerWaalsContact O-CB 3.31Å; M368-P381 WeakPolarHBondContact O-CB 3.46Å; W369-P381 HydrophobicContact CD2-CB 3.84Å; W369-P381 HydrophobicContact CE3-CB 4.42Å; W369-P381 HydrophobicContact CG-CB 4.14Å; W369-P381 HydrophobicContact CH2-CB 4.45Å; W369-P381 HydrophobicContact CZ2-CB 3.9Å; W369-P381 HydrophobicContact CZ2-CG 4.06Å
382	K	97.3	Very high	94.4	Very high	78 Å²	78	71.6 Å²	71.6	34%	0.339	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	164.4	172.6	-61	176	-164	166	0	109.3	R367 M368 G379 Y380	R367-K382 CarbonylContact C-O 3.52Å; R367-K382 VanDerWaalsContact CA-O 3.28Å; R367-K382 WeakPolarHBondContact CA-O 3.49Å; M368-K382 HydrophobicContact CG-CB 4Å; M368-K382 PolarHBondContact N-O 3.27Å; M368-K382 PolarHBondContact O-N 3.03Å; M368-K382 HydrophobicContact SD-CB 4.18Å; G379-K382 WeakPolarHBondContact O-CE 3.29Å; G379-K382 VanDerWaalsContact O-CG 3.29Å; G379-K382 WeakPolarHBondContact O-CG 3.36Å; Y380-K382 HydrophobicContact CD1-CB 4.12Å; Y380-K382 HydrophobicContact CD1-CD 3.83Å; Y380-K382 HydrophobicContact CD1-CG 3.69Å; Y380-K382 HydrophobicContact CE1-CB 4.21Å; Y380-K382 HydrophobicContact CE1-CD 3.45Å; Y380-K382 VanDerWaalsContact CE1-CD 3.45Å; Y380-K382 HydrophobicContact CE1-CG 3.83Å; Y380-K382 HydrophobicContact CE2-CD 4.4Å; Y380-K382 HydrophobicContact CG-CD 4.43Å; Y380-K382 HydrophobicContact CG-CG 4.3Å; Y380-K382 VanDerWaalsContact CZ-CE 3.45Å; Y380-K382 PolarHBondContact OH-NZ 3.14Å; Y380-K382 VanDerWaalsContact OH-NZ 3.08Å
383	Y	97.8	Very high	94.6	Very high	106 Å²	106	69.3 Å²	69.3	42%	0.416	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.8	176.5	-67.7	-76.6	0	0	0	111.9	I366 R367 M368 H385 K386	I366-Y383 HydrophobicContact CB-CD1 4.47Å; I366-Y383 HydrophobicContact CD1-CD1 4.02Å; I366-Y383 HydrophobicContact CD1-CE1 3.8Å; I366-Y383 HydrophobicContact CG1-CD1 4.16Å; I366-Y383 HydrophobicContact CG1-CE1 4.28Å; I366-Y383 CarbonylContact O-C 3.54Å; I366-Y383 VanDerWaalsContact O-CA 3.25Å; I366-Y383 WeakPolarHBondContact O-CA 3.26Å; I366-Y383 WeakPolarHBondContact O-CD1 3.16Å; R367-Y383 HydrophobicContact CG-CD1 4.45Å; M368-Y383 WeakPolarHBondContact CE-O 3.31Å; Y383-H385 WeakPolarHBondContact CB-CE1 3.34Å; Y383-H385 WeakPolarHBondContact CB-ND1 3.31Å; Y383-H385 AromaticContact CD2-CE1 3.94Å; Y383-H385 AromaticContact CG-CE1 3.7Å; Y383-H385 PolarHBondContact O-N 3.01Å; Y383-H385 VanDerWaalsContact O-N 3.14Å; Y383-K386 VanDerWaalsContact O-CB 3.23Å; Y383-K386 WeakPolarHBondContact O-CB 3.46Å; Y383-K386 WeakPolarHBondContact O-CG 3.31Å; Y383-K386 PolarHBondContact O-N 3.16Å
384	I	97.6	Very high	95.1	Very high	4 Å²	4	76.7 Å²	76.7	2%	0.021	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-58.1	-30.4	-177	63.4	177	0	0	0	114.2	F363 I366 K386 L387 L389 V393 I396	F363-I384 HydrophobicContact CD1-CG2 3.71Å; F363-I384 HydrophobicContact CE1-CG2 4.08Å; I366-I384 PolarHBondContact O-N 2.89Å; I384-K386 PolarHBondContact O-N 3.05Å; I384-L387 PolarHBondContact O-N 2.98Å; I384-L389 HydrophobicContact CB-CD1 4.19Å; I384-L389 HydrophobicContact CD1-CD1 4.49Å; I384-L389 HydrophobicContact CG1-CD1 4.49Å; I384-V393 HydrophobicContact CD1-CG1 3.85Å; I384-I396 HydrophobicContact CB-CD1 4.36Å; I384-I396 HydrophobicContact CD1-CG1 4.23Å; I384-I396 HydrophobicContact CG2-CD1 4.21Å
385	H	96	Very high	95.6	Very high	72 Å²	72	71.9 Å²	71.9	33%	0.333	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-62.2	-9.2	173.6	72.1	-107.7	0	0	0	114.1	Y383 L387 G388 L389	Y383-H385 WeakPolarHBondContact CB-CE1 3.34Å; Y383-H385 WeakPolarHBondContact CB-ND1 3.31Å; Y383-H385 AromaticContact CD2-CE1 3.94Å; Y383-H385 AromaticContact CG-CE1 3.7Å; Y383-H385 PolarHBondContact O-N 3.01Å; Y383-H385 VanDerWaalsContact O-N 3.14Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-G388 PolarHBondContact O-N 3.42Å; H385-L389 WeakPolarHBondContact CA-O 3.44Å; H385-L389 WeakPolarHBondContact CB-O 3.39Å
386	K	95.8	Very high	96.1	Very high	149 Å²	149	69.1 Å²	69.1	65%	0.648	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-73.5	-17.1	171.8	-70.1	-67.7	-173.5	174.2	0	113.6	Y383 I384	Y383-K386 VanDerWaalsContact O-CB 3.23Å; Y383-K386 WeakPolarHBondContact O-CB 3.46Å; Y383-K386 WeakPolarHBondContact O-CG 3.31Å; Y383-K386 PolarHBondContact O-N 3.16Å; I384-K386 PolarHBondContact O-N 3.05Å
387	L	95.6	Very high	96.3	Very high	13 Å²	13	67.4 Å²	67.4	7%	0.068	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-78.1	-7.7	169.2	-55.1	176.3	0	0	0	112.4	F363 M368 I384 H385 L410 Y419 M426	F363-L387 HydrophobicContact CE1-CD1 4.01Å; F363-L387 HydrophobicContact CZ-CD1 4.14Å; M368-L387 HydrophobicContact CE-CD1 4.01Å; M368-L387 HydrophobicContact CE-CD2 3.95Å; M368-L387 HydrophobicContact CE-CG 3.64Å; M368-L387 HydrophobicContact SD-CD2 4.26Å; I384-L387 PolarHBondContact O-N 2.98Å; H385-L387 VanDerWaalsContact C-N 3.28Å; L387-L410 HydrophobicContact CD1-CD1 3.76Å; L387-Y419 HydrophobicContact CB-CD2 4.21Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CD2-CE1 4.4Å; L387-Y419 HydrophobicContact CD2-CE2 4.17Å; L387-Y419 WeakPolarHBondContact O-CD2 3.49Å; L387-Y419 WeakPolarHBondContact O-CE2 3.49Å; L387-M426 HydrophobicContact CB-CE 3.83Å; L387-M426 VanDerWaalsContact O-CE 3.3Å; L387-M426 WeakPolarHBondContact O-CE 3.24Å; L387-M426 WeakPolarHBondContact O-CG 3.48Å
388	G	95.1	Very high	96.4	Very high	55 Å²	55	65.2 Å²	65.2	57%	0.567	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.3	-4.1	-172.9	0	0	0	0	0	114.4	H385	H385-G388 PolarHBondContact O-N 3.42Å
389	L	96.1	Very high	96.5	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	30%	0.304	C	S	.	.			trans	-59.2	140.4	178	-70.2	172.1	0	0	0	112.4	I384 H385 V393 I396 L410 W417 M426	I384-L389 HydrophobicContact CB-CD1 4.19Å; I384-L389 HydrophobicContact CD1-CD1 4.49Å; I384-L389 HydrophobicContact CG1-CD1 4.49Å; H385-L389 WeakPolarHBondContact CA-O 3.44Å; H385-L389 WeakPolarHBondContact CB-O 3.39Å; L389-V393 HydrophobicContact CD1-CG1 4.39Å; L389-I396 HydrophobicContact CD1-CD1 3.57Å; L389-I396 HydrophobicContact CD1-CG1 4Å; L389-L410 HydrophobicContact CD1-CD1 4.44Å; L389-W417 HydrophobicContact CD2-CB 4.24Å; L389-W417 HydrophobicContact CD2-CD2 3.75Å; L389-W417 HydrophobicContact CD2-CE3 4.43Å; L389-W417 HydrophobicContact CD2-CG 3.64Å; L389-M426 HydrophobicContact CD2-CE 3.61Å; L389-M426 HydrophobicContact CG-CE 3.62Å
390	P	95.8	Very high	96.7	Very high	57 Å²	57	55 Å²	55	37%	0.37	28%	0.275	S	S	.	.			trans	-56	148.2	175	-26.9	35.7	0	0	0	113.4	S392 V393	P390-S392 WeakPolarHBondContact CB-OG 3.31Å; P390-S392 PolarHBondContact O-N 2.66Å; P390-S392 VanDerWaalsContact O-N 3.1Å; P390-V393 HydrophobicContact CB-CG2 4.41Å; P390-V393 WeakPolarHBondContact O-CB 3.21Å; P390-V393 PolarHBondContact O-N 3.48Å; P390-V393 VanDerWaalsContact O-N 3.13Å
391	K	95.3	Very high	96.7	Very high	160 Å²	160	53.4 Å²	53.4	70%	0.696	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-2.5	177	-69.8	-176.2	-179.2	176.1	0	114.4	R394	K391-R394 VanDerWaalsContact O-CZ 3.27Å; K391-R394 PolarHBondContact O-NH1 3.31Å; K391-R394 PolarHBondContact O-NH2 2.72Å
392	S	95.9	Very high	96.6	Very high	90 Å²	90	50.6 Å²	50.6	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-42.3	167.8	39.6	0	0	0	0	111.3	P390 R394	P390-S392 WeakPolarHBondContact CB-OG 3.31Å; P390-S392 PolarHBondContact O-N 2.66Å; P390-S392 VanDerWaalsContact O-N 3.1Å; S392-R394 WeakPolarHBondContact O-CG 3.13Å; S392-R394 PolarHBondContact O-N 3.4Å
393	V	96.9	Very high	96.3	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.085	26%	0.26	C	S	.	.			trans	-55.7	130.3	179.4	-179.8	0	0	0	0	110.5	I384 L389 P390 K395 V412 W417	I384-V393 HydrophobicContact CD1-CG1 3.85Å; L389-V393 HydrophobicContact CD1-CG1 4.39Å; P390-V393 HydrophobicContact CB-CG2 4.41Å; P390-V393 WeakPolarHBondContact O-CB 3.21Å; P390-V393 PolarHBondContact O-N 3.48Å; P390-V393 VanDerWaalsContact O-N 3.13Å; V393-K395 WeakPolarHBondContact CG1-O 3.28Å; V393-V412 HydrophobicContact CG1-CG1 4.13Å; V393-V412 HydrophobicContact CG1-CG2 3.93Å; V393-W417 HydrophobicContact CG2-CZ2 4.33Å
394	R	96.6	Very high	95.9	Very high	163 Å²	163	52.4 Å²	52.4	62%	0.615	27%	0.274	S	S	*	.			trans	-118.5	-24.6	-174	-65.9	-50	-175.1	-144.5	-6.7	115.4	G365 I366 K391 S392	G365-R394 CarbonylContact C-O 3.57Å; G365-R394 WeakPolarHBondContact CA-O 3.43Å; I366-R394 WeakPolarHBondContact CG2-O 3.28Å; I366-R394 PolarHBondContact N-O 3.03Å; K391-R394 VanDerWaalsContact O-CZ 3.27Å; K391-R394 PolarHBondContact O-NH1 3.31Å; K391-R394 PolarHBondContact O-NH2 2.72Å; S392-R394 WeakPolarHBondContact O-CG 3.13Å; S392-R394 PolarHBondContact O-N 3.4Å
395	K	97	Very high	95.6	Very high	58 Å²	58	56.1 Å²	56.1	25%	0.252	30%	0.296	S	S	.	.			trans	-134.8	169.2	176.2	-176.3	175.9	158.4	-116.9	0	106.7	D349 V393 D397	D349-K395 HydrophobicContact CB-CD 4.08Å; D349-K395 HydrophobicContact CB-CG 3.83Å; V393-K395 WeakPolarHBondContact CG1-O 3.28Å; K395-D397 WeakPolarHBondContact CD-OD1 3.46Å; K395-D397 WeakPolarHBondContact CE-OD1 3.43Å; K395-D397 WeakPolarHBondContact CG-OD1 3.42Å; K395-D397 IonicContact NZ-OD1 3.58Å; K395-D397 PolarHBondContact NZ-OD1 3.07Å
396	I	98.1	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.			trans	-123.2	127.6	156.6	-59.7	-179.7	0	0	0	103.5	D349 A350 F363 I384 L389 A398 A399 L410 F411	D349-I396 CarbonylContact C-O 3.54Å; A350-I396 HydrophobicContact CB-CB 4.47Å; A350-I396 HydrophobicContact CB-CG2 4.23Å; A350-I396 WeakPolarHBondContact CB-O 3.49Å; F363-I396 HydrophobicContact CD1-CD1 3.69Å; F363-I396 HydrophobicContact CD1-CG1 4.45Å; F363-I396 HydrophobicContact CE1-CD1 3.69Å; F363-I396 HydrophobicContact CG-CD1 4.28Å; F363-I396 HydrophobicContact CZ-CD1 4.32Å; I384-I396 HydrophobicContact CB-CD1 4.36Å; I384-I396 HydrophobicContact CD1-CG1 4.23Å; I384-I396 HydrophobicContact CG2-CD1 4.21Å; L389-I396 HydrophobicContact CD1-CD1 3.57Å; L389-I396 HydrophobicContact CD1-CG1 4Å; I396-A398 WeakPolarHBondContact CG2-O 3.49Å; I396-A399 HydrophobicContact CG2-CB 4.5Å; I396-L410 HydrophobicContact CD1-CD1 4.28Å; I396-L410 HydrophobicContact CD1-CD2 4.24Å; I396-L410 HydrophobicContact CG2-CB 4.1Å; I396-L410 HydrophobicContact CG2-CD2 4.34Å; I396-F411 WeakPolarHBondContact CG2-O 3.16Å
397	D	97.3	Very high	95.5	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.043	27%	0.272	C	S	.	.			trans	-93.5	-30.5	-164.5	-52.7	-45.7	0	0	0	111.3	D349 K395 F411 V412 D413 F445 D446	D349-D397 VanDerWaalsContact O-O 3.09Å; K395-D397 WeakPolarHBondContact CD-OD1 3.46Å; K395-D397 WeakPolarHBondContact CE-OD1 3.43Å; K395-D397 WeakPolarHBondContact CG-OD1 3.42Å; K395-D397 IonicContact NZ-OD1 3.58Å; K395-D397 PolarHBondContact NZ-OD1 3.07Å; D397-F411 PolarHBondContact N-O 3.02Å; D397-V412 WeakPolarHBondContact OD2-CA 3.49Å; D397-D413 PolarHBondContact OD2-N 2.84Å; D397-F445 CarbonylContact C-O 3.42Å; D397-D446 CarbonylContact O-C 3.57Å
398	A	97.9	Very high	95.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.3	165.5	0	0	0	0	0	111.1	I396 F411 F445 V448	I396-A398 WeakPolarHBondContact CG2-O 3.49Å; A398-F411 HydrophobicContact CB-CB 4.12Å; A398-F411 HydrophobicContact CB-CD2 4.2Å; A398-F411 HydrophobicContact CB-CG 4.41Å; A398-F411 PolarHBondContact O-N 3.35Å; A398-F445 HydrophobicContact CB-CB 4.38Å; A398-V448 HydrophobicContact CB-CB 4.19Å; A398-V448 HydrophobicContact CB-CG1 3.62Å
399	A	98.1	Very high	95.7	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.9	178.2	0	0	0	0	0	111.6	A350 Y352 F363 I396 L409 L410 V448	A350-A399 HydrophobicContact CB-CB 4.03Å; Y352-A399 HydrophobicContact CD1-CB 3.76Å; F363-A399 HydrophobicContact CE2-CB 4.5Å; I396-A399 HydrophobicContact CG2-CB 4.5Å; A399-L409 CarbonylContact C-O 2.9Å; A399-L409 VanDerWaalsContact CA-O 3.3Å; A399-L409 WeakPolarHBondContact CA-O 3.44Å; A399-L410 HydrophobicContact CB-CD2 3.72Å; A399-V448 VanDerWaalsContact O-O 3.05Å
400	V	97.3	Very high	95.8	Very high	5 Å²	5	46 Å²	46	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	139.9	176.8	59.5	0	0	0	0	112	T408 L409 F411 V448 F450 L455	V400-T408 CarbonylContact O-C 3.55Å; V400-T408 WeakPolarHBondContact O-CA 3.25Å; V400-L409 HydrophobicContact CG1-CB 4.13Å; V400-L409 PolarHBondContact N-O 3.43Å; V400-L409 PolarHBondContact O-N 3Å; V400-F411 HydrophobicContact CG1-CE2 4.26Å; V400-V448 HydrophobicContact CB-CG1 3.9Å; V400-V448 HydrophobicContact CG1-CG1 3.76Å; V400-V448 HydrophobicContact CG1-CG2 4.19Å; V400-F450 HydrophobicContact CG2-CB 3.58Å; V400-L455 HydrophobicContact CB-CD2 4.46Å; V400-L455 HydrophobicContact CG1-CD2 3.88Å; V400-L455 HydrophobicContact CG2-CD2 3.87Å
401	H	96.4	Very high	95.9	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.069	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128	170.1	-169.8	73.6	0	0	0	111.6	Y352 E353 Y354 K407 T408	Y352-H401 HydrophobicContact CD2-CB 3.94Å; E353-H401 WeakPolarHBondContact O-CB 3.35Å; Y354-H401 AromaticContact CD2-CE1 3.59Å; Y354-H401 AromaticContact CD2-ND1 3.75Å; Y354-H401 AromaticContact CD2-NE2 3.8Å; Y354-H401 AromaticContact CE2-CE1 3.59Å; Y354-H401 AromaticContact CE2-NE2 3.8Å; H401-K407 PolarHBondContact ND1-O 2.76Å; H401-T408 PolarHBondContact ND1-OG1 3.38Å
402	I	94.2	Very high	96	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	87.3	179.1	-56.1	175.2	0	0	0	108.1	S404 T405 G406 K407 L409 L455 L468	I402-S404 PolarHBondContact O-N 3.17Å; I402-T405 HydrophobicContact CG2-CG2 4.03Å; I402-T405 PolarHBondContact O-N 3.3Å; I402-T405 PolarHBondContact O-OG1 3.36Å; I402-G406 PolarHBondContact O-N 2.91Å; I402-K407 PolarHBondContact N-O 3.11Å; I402-L409 HydrophobicContact CD1-CD1 3.6Å; I402-L409 HydrophobicContact CD1-CG 3.9Å; I402-L455 HydrophobicContact CD1-CD1 4.41Å; I402-L455 HydrophobicContact CD1-CD2 4.5Å; I402-L468 HydrophobicContact CD1-CD1 4.09Å; I402-L468 HydrophobicContact CG2-CD1 4.22Å
403	K	90.6	Very high	95.8	Very high	122 Å²	122	37 Å²	37	53%	0.53	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31	-174.5	-172.8	-178.7	-178.1	94.9	0	114.6	E356 T405	E356-K403 WeakPolarHBondContact OE1-CE 3.27Å; E356-K403 IonicContact OE1-NZ 3.29Å; E356-K403 PolarHBondContact OE1-NZ 2.69Å; K403-T405 VanDerWaalsContact C-N 3.26Å; K403-T405 PolarHBondContact O-N 3.19Å
404	S	89.7	Confident	95.6	Very high	100 Å²	100	43.6 Å²	43.6	70%	0.699	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.3	177.6	56.5	0	0	0	0	114.5	I402	I402-S404 PolarHBondContact O-N 3.17Å
405	T	92	Very high	95.6	Very high	81 Å²	81	39.7 Å²	39.7	50%	0.497	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-15.9	176.9	65.6	0	0	0	0	113.1	I402 K403 K407	I402-T405 HydrophobicContact CG2-CG2 4.03Å; I402-T405 PolarHBondContact O-N 3.3Å; I402-T405 PolarHBondContact O-OG1 3.36Å; K403-T405 VanDerWaalsContact C-N 3.26Å; K403-T405 PolarHBondContact O-N 3.19Å; T405-K407 PolarHBondContact O-N 2.95Å; T405-K407 WeakPolarHBondContact OG1-CB 3.01Å; T405-K407 PolarHBondContact OG1-N 3.23Å
406	G	93.3	Very high	95.6	Very high	29 Å²	29	37.7 Å²	37.7	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	11.7	-172.8	0	0	0	0	0	113.9	I402	I402-G406 PolarHBondContact O-N 2.91Å
407	K	95.8	Very high	95.5	Very high	41 Å²	41	38.4 Å²	38.4	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.5	-177.9	-55.8	-57.8	-171.2	168	0	111.5	H401 I402 T405 Y419 D420 D427	H401-K407 PolarHBondContact ND1-O 2.76Å; I402-K407 PolarHBondContact N-O 3.11Å; T405-K407 PolarHBondContact O-N 2.95Å; T405-K407 WeakPolarHBondContact OG1-CB 3.01Å; T405-K407 PolarHBondContact OG1-N 3.23Å; K407-Y419 WeakPolarHBondContact CA-O 3.35Å; K407-D420 HydrophobicContact CD-CB 4.27Å; K407-D420 IonicContact NZ-OD2 3.93Å; K407-D420 PolarHBondContact NZ-OD2 2.84Å; K407-D427 WeakPolarHBondContact CD-OD2 3.37Å; K407-D427 WeakPolarHBondContact CE-OD2 3.16Å; K407-D427 IonicContact NZ-OD1 2.79Å; K407-D427 PolarHBondContact NZ-OD1 3.38Å; K407-D427 IonicContact NZ-OD2 3.71Å; K407-D427 PolarHBondContact NZ-OD2 2.93Å
408	T	97.9	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.6	164.8	-59.2	0	0	0	0	108.1	Y352 V400 H401 L410 Y419 E421	Y352-T408 HydrophobicContact CD1-CG2 3.86Å; Y352-T408 HydrophobicContact CD2-CG2 4.01Å; Y352-T408 HydrophobicContact CE1-CG2 3.5Å; Y352-T408 VanDerWaalsContact CE1-CG2 3.5Å; Y352-T408 HydrophobicContact CE2-CG2 3.68Å; Y352-T408 HydrophobicContact CG-CG2 4.11Å; Y352-T408 VanDerWaalsContact CZ-CG2 3.43Å; V400-T408 CarbonylContact O-C 3.55Å; V400-T408 WeakPolarHBondContact O-CA 3.25Å; H401-T408 PolarHBondContact ND1-OG1 3.38Å; T408-L410 HydrophobicContact CG2-CD2 3.88Å; T408-L410 HydrophobicContact CG2-CG 4.33Å; T408-Y419 PolarHBondContact N-O 3.2Å; T408-Y419 PolarHBondContact O-N 2.87Å; T408-E421 WeakPolarHBondContact OG1-CG 3.09Å; T408-E421 PolarHBondContact OG1-OE1 3.46Å
409	L	97.8	Very high	95.6	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.2	172.4	-56.4	-168.4	0	0	0	109.8	A399 V400 I402 F411 Y416 W417 F438	A399-L409 CarbonylContact C-O 2.9Å; A399-L409 VanDerWaalsContact CA-O 3.3Å; A399-L409 WeakPolarHBondContact CA-O 3.44Å; V400-L409 HydrophobicContact CG1-CB 4.13Å; V400-L409 PolarHBondContact N-O 3.43Å; V400-L409 PolarHBondContact O-N 3Å; I402-L409 HydrophobicContact CD1-CD1 3.6Å; I402-L409 HydrophobicContact CD1-CG 3.9Å; L409-F411 HydrophobicContact CB-CE2 3.74Å; L409-F411 HydrophobicContact CB-CZ 4.19Å; L409-F411 HydrophobicContact CD1-CE2 4.49Å; L409-F411 HydrophobicContact CD1-CZ 4.18Å; L409-Y416 HydrophobicContact CB-CD2 4.38Å; L409-Y416 HydrophobicContact CD1-CD2 4.2Å; L409-Y416 HydrophobicContact CD1-CE2 4.02Å; L409-Y416 HydrophobicContact CD2-CD2 4.12Å; L409-Y416 HydrophobicContact CD2-CE2 3.88Å; L409-Y416 HydrophobicContact CG-CD2 4.47Å; L409-Y416 HydrophobicContact CG-CE2 4.47Å; L409-W417 WeakPolarHBondContact CA-O 3.22Å; L409-F438 HydrophobicContact CD1-CZ 3.81Å
410	L	98.2	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.3	-179.7	-55.2	170.9	0	0	0	107.7	Y352 L387 L389 I396 A399 T408 Y416 W417 M426	Y352-L410 HydrophobicContact CE1-CD2 4.21Å; L387-L410 HydrophobicContact CD1-CD1 3.76Å; L389-L410 HydrophobicContact CD1-CD1 4.44Å; I396-L410 HydrophobicContact CD1-CD1 4.28Å; I396-L410 HydrophobicContact CD1-CD2 4.24Å; I396-L410 HydrophobicContact CG2-CB 4.1Å; I396-L410 HydrophobicContact CG2-CD2 4.34Å; A399-L410 HydrophobicContact CB-CD2 3.72Å; T408-L410 HydrophobicContact CG2-CD2 3.88Å; T408-L410 HydrophobicContact CG2-CG 4.33Å; L410-Y416 CarbonylContact O-C 3.57Å; L410-Y416 VanDerWaalsContact O-CA 3.31Å; L410-Y416 WeakPolarHBondContact O-CA 3.32Å; L410-W417 PolarHBondContact N-O 3.39Å; L410-W417 PolarHBondContact O-N 2.93Å; L410-M426 HydrophobicContact CD1-CE 3.92Å
411	F	97.8	Very high	95.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.9	-176.9	-62.8	-97.5	0	0	0	109.5	I396 D397 A398 V400 L409 Y416 V434 F438 V448 F457	I396-F411 WeakPolarHBondContact CG2-O 3.16Å; D397-F411 PolarHBondContact N-O 3.02Å; A398-F411 HydrophobicContact CB-CB 4.12Å; A398-F411 HydrophobicContact CB-CD2 4.2Å; A398-F411 HydrophobicContact CB-CG 4.41Å; A398-F411 PolarHBondContact O-N 3.35Å; V400-F411 HydrophobicContact CG1-CE2 4.26Å; L409-F411 HydrophobicContact CB-CE2 3.74Å; L409-F411 HydrophobicContact CB-CZ 4.19Å; L409-F411 HydrophobicContact CD1-CE2 4.49Å; L409-F411 HydrophobicContact CD1-CZ 4.18Å; F411-Y416 HydrophobicContact CD1-CG 4.37Å; F411-Y416 HydrophobicContact CE1-CD2 4.46Å; F411-Y416 HydrophobicContact CE1-CG 4.08Å; F411-V434 HydrophobicContact CD1-CG2 3.72Å; F411-V434 HydrophobicContact CE1-CG1 4.37Å; F411-V434 HydrophobicContact CE1-CG2 3.98Å; F411-F438 HydrophobicContact CE1-CE2 4.19Å; F411-F438 HydrophobicContact CZ-CE2 4.32Å; F411-F438 HydrophobicContact CZ-CZ 4.26Å; F411-V448 HydrophobicContact CD2-CG1 3.91Å; F411-V448 HydrophobicContact CE2-CG1 3.8Å; F411-F457 AromaticContact CE1-CE1 3.87Å; F411-F457 HydrophobicContact CE1-CE1 3.87Å; F411-F457 HydrophobicContact CE2-CE1 4.35Å; F411-F457 AromaticContact CZ-CE1 3.71Å; F411-F457 HydrophobicContact CZ-CE1 3.71Å; F411-F457 HydrophobicContact CZ-CZ 4.17Å
412	V	96.6	Very high	95.2	Very high	6 Å²	6	45 Å²	45	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	125.2	173.2	-163.1	0	0	0	0	109.1	V393 D397 E414 E415 W417	V393-V412 HydrophobicContact CG1-CG1 4.13Å; V393-V412 HydrophobicContact CG1-CG2 3.93Å; D397-V412 WeakPolarHBondContact OD2-CA 3.49Å; V412-E414 PolarHBondContact O-N 3.4Å; V412-E415 PolarHBondContact N-O 3.08Å; V412-E415 CarbonylContact O-C 3.56Å; V412-E415 WeakPolarHBondContact O-CA 3.36Å; V412-E415 PolarHBondContact O-N 3.29Å; V412-W417 HydrophobicContact CB-CE3 4.34Å; V412-W417 HydrophobicContact CB-CH2 4.11Å; V412-W417 HydrophobicContact CB-CZ3 3.53Å; V412-W417 HydrophobicContact CG2-CE3 3.86Å; V412-W417 HydrophobicContact CG2-CH2 4.24Å; V412-W417 HydrophobicContact CG2-CZ3 3.53Å
413	D	93	Very high	95.2	Very high	109 Å²	109	49 Å²	49	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	-132.8	-172.3	-49.7	-71.8	0	0	0	110.7	D397 E415	D397-D413 PolarHBondContact OD2-N 2.84Å; D413-E415 VanDerWaalsContact C-N 3.29Å; D413-E415 PolarHBondContact O-N 3.42Å
414	E	92.6	Very high	95.3	Very high	152 Å²	152	45 Å²	45	71%	0.71	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	3.9	174.7	-62.7	171.2	-169.5	0	0	113.8	V412 V434	V412-E414 PolarHBondContact O-N 3.4Å; E414-V434 WeakPolarHBondContact O-CG2 3.32Å; E414-V434 PolarHBondContact O-N 3.44Å
415	E	95.4	Very high	95.7	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	160.1	-176	-69.4	-163.4	127.5	0	0	113.1	V412 D413 W417 P431 K432	V412-E415 PolarHBondContact N-O 3.08Å; V412-E415 CarbonylContact O-C 3.56Å; V412-E415 WeakPolarHBondContact O-CA 3.36Å; V412-E415 PolarHBondContact O-N 3.29Å; D413-E415 VanDerWaalsContact C-N 3.29Å; D413-E415 PolarHBondContact O-N 3.42Å; E415-W417 HydrophobicContact CB-CH2 3.9Å; E415-W417 HydrophobicContact CB-CZ3 3.74Å; E415-P431 HydrophobicContact CB-CB 4Å; E415-P431 VanDerWaalsContact CD-CB 3.48Å; E415-P431 HydrophobicContact CG-CB 4.24Å; E415-P431 WeakPolarHBondContact OE1-CG 3.44Å; E415-P431 WeakPolarHBondContact OE2-CB 3.38Å; E415-P431 VanDerWaalsContact OE2-CG 3.28Å; E415-P431 WeakPolarHBondContact OE2-CG 3.38Å; E415-K432 CarbonylContact C-O 3.53Å; E415-K432 VanDerWaalsContact CA-O 3.26Å; E415-K432 WeakPolarHBondContact CA-O 3.4Å
416	Y	96.9	Very high	95.9	Very high	16 Å²	16	41.8 Å²	41.8	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.1	167.8	85.5	-73	0	0	0	113.5	L409 L410 F411 F430 P431 K432 V434 D437 F438	L409-Y416 HydrophobicContact CB-CD2 4.38Å; L409-Y416 HydrophobicContact CD1-CD2 4.2Å; L409-Y416 HydrophobicContact CD1-CE2 4.02Å; L409-Y416 HydrophobicContact CD2-CD2 4.12Å; L409-Y416 HydrophobicContact CD2-CE2 3.88Å; L409-Y416 HydrophobicContact CG-CD2 4.47Å; L409-Y416 HydrophobicContact CG-CE2 4.47Å; L410-Y416 CarbonylContact O-C 3.57Å; L410-Y416 VanDerWaalsContact O-CA 3.31Å; L410-Y416 WeakPolarHBondContact O-CA 3.32Å; F411-Y416 HydrophobicContact CD1-CG 4.37Å; F411-Y416 HydrophobicContact CE1-CD2 4.46Å; F411-Y416 HydrophobicContact CE1-CG 4.08Å; Y416-F430 HydrophobicContact CD2-CE1 4.24Å; Y416-F430 HydrophobicContact CE1-CE1 4.26Å; Y416-F430 AromaticContact CE2-CE1 3.67Å; Y416-F430 HydrophobicContact CE2-CE1 3.67Å; Y416-F430 HydrophobicContact CE2-CZ 4.37Å; Y416-F430 AromaticContact CZ-CE1 3.67Å; Y416-F430 WeakPolarHBondContact O-CD1 3.22Å; Y416-P431 WeakPolarHBondContact O-CA 3.43Å; Y416-K432 HydrophobicContact CD1-CB 4.14Å; Y416-K432 HydrophobicContact CE1-CB 3.74Å; Y416-K432 HydrophobicContact CE1-CD 4.32Å; Y416-K432 PolarHBondContact N-O 2.98Å; Y416-K432 PolarHBondContact O-N 3.46Å; Y416-V434 HydrophobicContact CD1-CG2 4.16Å; Y416-D437 HydrophobicContact CE1-CB 4.02Å; Y416-D437 PolarHBondContact OH-OD2 3.38Å; Y416-D437 VanDerWaalsContact OH-OD2 3.08Å; Y416-F438 HydrophobicContact CD1-CE2 4.16Å; Y416-F438 HydrophobicContact CD2-CE2 4.38Å; Y416-F438 HydrophobicContact CE1-CD2 4.36Å; Y416-F438 AromaticContact CE1-CE2 3.79Å; Y416-F438 HydrophobicContact CE1-CE2 3.79Å; Y416-F438 HydrophobicContact CE2-CE2 4.01Å; Y416-F438 HydrophobicContact CE2-CZ 4.45Å; Y416-F438 HydrophobicContact CG-CE2 4.44Å; Y416-F438 AromaticContact CZ-CE2 3.7Å
417	W	97.9	Very high	96.1	Very high	15 Å²	15	42.6 Å²	42.6	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.3	176.9	-71.2	-104.5	0	0	0	109.8	L389 V393 L409 L410 V412 E415 M426 P431	L389-W417 HydrophobicContact CD2-CB 4.24Å; L389-W417 HydrophobicContact CD2-CD2 3.75Å; L389-W417 HydrophobicContact CD2-CE3 4.43Å; L389-W417 HydrophobicContact CD2-CG 3.64Å; V393-W417 HydrophobicContact CG2-CZ2 4.33Å; L409-W417 WeakPolarHBondContact CA-O 3.22Å; L410-W417 PolarHBondContact N-O 3.39Å; L410-W417 PolarHBondContact O-N 2.93Å; V412-W417 HydrophobicContact CB-CE3 4.34Å; V412-W417 HydrophobicContact CB-CH2 4.11Å; V412-W417 HydrophobicContact CB-CZ3 3.53Å; V412-W417 HydrophobicContact CG2-CE3 3.86Å; V412-W417 HydrophobicContact CG2-CH2 4.24Å; V412-W417 HydrophobicContact CG2-CZ3 3.53Å; E415-W417 HydrophobicContact CB-CH2 3.9Å; E415-W417 HydrophobicContact CB-CZ3 3.74Å; W417-M426 HydrophobicContact CB-CE 4.41Å; W417-M426 HydrophobicContact CB-SD 3.85Å; W417-M426 HydrophobicContact CG-SD 4.32Å; W417-P431 HydrophobicContact CD2-CB 4.04Å; W417-P431 HydrophobicContact CE3-CB 4.36Å; W417-P431 HydrophobicContact CH2-CB 3.79Å; W417-P431 HydrophobicContact CH2-CG 4.23Å; W417-P431 HydrophobicContact CZ2-CB 3.51Å; W417-P431 HydrophobicContact CZ2-CG 3.67Å; W417-P431 HydrophobicContact CZ3-CB 4.2Å
418	S	98	Very high	96.1	Very high	8 Å²	8	45.6 Å²	45.6	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.9	167.3	-179	0	0	0	0	110.1	M426 D427 F430	S418-M426 WeakPolarHBondContact O-CA 3.3Å; S418-D427 WeakPolarHBondContact CB-OD2 3.36Å; S418-D427 PolarHBondContact O-N 3.34Å; S418-D427 PolarHBondContact OG-OD2 3.17Å; S418-F430 VanDerWaalsContact CB-CE2 3.48Å; S418-F430 VanDerWaalsContact CB-CZ 3.45Å
419	Y	98	Very high	95.9	Very high	25 Å²	25	48.6 Å²	48.6	10%	0.098	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.7	176.9	178.4	-97.4	0	0	0	109.9	L387 K407 T408 E421 G424 M426	L387-Y419 HydrophobicContact CB-CD2 4.21Å; L387-Y419 HydrophobicContact CB-CE2 4.1Å; L387-Y419 HydrophobicContact CD2-CE1 4.4Å; L387-Y419 HydrophobicContact CD2-CE2 4.17Å; L387-Y419 WeakPolarHBondContact O-CD2 3.49Å; L387-Y419 WeakPolarHBondContact O-CE2 3.49Å; K407-Y419 WeakPolarHBondContact CA-O 3.35Å; T408-Y419 PolarHBondContact N-O 3.2Å; T408-Y419 PolarHBondContact O-N 2.87Å; Y419-E421 HydrophobicContact CD1-CG 4.41Å; Y419-E421 WeakPolarHBondContact CD1-OE1 3.33Å; Y419-E421 HydrophobicContact CE1-CG 4.48Å; Y419-E421 WeakPolarHBondContact CE1-OE1 3.13Å; Y419-G424 WeakPolarHBondContact OH-CA 3.5Å; Y419-M426 HydrophobicContact CD2-CE 4.08Å; Y419-M426 HydrophobicContact CD2-SD 4.24Å
420	D	96.4	Very high	95.8	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.7	179.5	-171.9	-60.1	0	0	0	110.5	K407 A422 T423 G424 T425	K407-D420 HydrophobicContact CD-CB 4.27Å; K407-D420 IonicContact NZ-OD2 3.93Å; K407-D420 PolarHBondContact NZ-OD2 2.84Å; D420-A422 VanDerWaalsContact C-N 3.29Å; D420-A422 PolarHBondContact O-N 3.27Å; D420-A422 WeakPolarHBondContact OD1-CA 3.41Å; D420-A422 WeakPolarHBondContact OD1-CB 3.35Å; D420-A422 PolarHBondContact OD1-N 2.84Å; D420-T423 WeakPolarHBondContact CB-OG1 3.28Å; D420-T423 PolarHBondContact OD1-N 2.89Å; D420-T423 PolarHBondContact OD1-OG1 3.16Å; D420-G424 VanDerWaalsContact O-CA 3.28Å; D420-G424 WeakPolarHBondContact O-CA 3.34Å; D420-G424 PolarHBondContact O-N 3.41Å; D420-T425 PolarHBondContact N-O 3Å; D420-T425 PolarHBondContact O-N 2.93Å
421	E	93.8	Very high	95.7	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.065	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-15.7	-176.9	-69.4	-66	161.5	0	0	114.3	Y352 Y354 K357 T408 Y419	Y352-E421 PolarHBondContact OH-OE1 3.01Å; Y354-E421 HydrophobicContact CD2-CB 4.15Å; Y354-E421 HydrophobicContact CD2-CG 3.71Å; Y354-E421 HydrophobicContact CE1-CB 4.4Å; Y354-E421 HydrophobicContact CE2-CB 3.42Å; Y354-E421 VanDerWaalsContact CE2-CB 3.42Å; Y354-E421 HydrophobicContact CE2-CG 3.51Å; Y354-E421 HydrophobicContact CG-CG 4.41Å; K357-E421 PolarHBondContact NZ-O 2.89Å; K357-E421 IonicContact NZ-OE2 2.86Å; T408-E421 WeakPolarHBondContact OG1-CG 3.09Å; T408-E421 PolarHBondContact OG1-OE1 3.46Å; Y419-E421 HydrophobicContact CD1-CG 4.41Å; Y419-E421 WeakPolarHBondContact CD1-OE1 3.33Å; Y419-E421 HydrophobicContact CE1-CG 4.48Å; Y419-E421 WeakPolarHBondContact CE1-OE1 3.13Å
422	A	92.6	Very high	95.6	Very high	94 Å²	94	56 Å²	56	78%	0.777	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-36.2	-179.6	0	0	0	0	0	111.8	D420	D420-A422 VanDerWaalsContact C-N 3.29Å; D420-A422 PolarHBondContact O-N 3.27Å; D420-A422 WeakPolarHBondContact OD1-CA 3.41Å; D420-A422 WeakPolarHBondContact OD1-CB 3.35Å; D420-A422 PolarHBondContact OD1-N 2.84Å
423	T	94.7	Very high	95.6	Very high	92 Å²	92	57.5 Å²	57.5	56%	0.564	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-23.8	171.3	66.5	0	0	0	0	113.1	D420 T425	D420-T423 WeakPolarHBondContact CB-OG1 3.28Å; D420-T423 PolarHBondContact OD1-N 2.89Å; D420-T423 PolarHBondContact OD1-OG1 3.16Å; T423-T425 PolarHBondContact OG1-N 3.21Å; T423-T425 PolarHBondContact OG1-OG1 3Å
424	G	94.1	Very high	95.6	Very high	38 Å²	38	52.7 Å²	52.7	39%	0.392	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	34.8	-174.5	0	0	0	0	0	113.2	Y419 D420	Y419-G424 WeakPolarHBondContact OH-CA 3.5Å; D420-G424 VanDerWaalsContact O-CA 3.28Å; D420-G424 WeakPolarHBondContact O-CA 3.34Å; D420-G424 PolarHBondContact O-N 3.41Å
425	T	96.1	Very high	95.6	Very high	73 Å²	73	50.5 Å²	50.5	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.3	-174.3	60.6	0	0	0	0	112.7	D420 T423	D420-T425 PolarHBondContact N-O 3Å; D420-T425 PolarHBondContact O-N 2.93Å; T423-T425 PolarHBondContact OG1-N 3.21Å; T423-T425 PolarHBondContact OG1-OG1 3Å
426	M	97.1	Very high	95.4	Very high	40 Å²	40	53.6 Å²	53.6	20%	0.197	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	142.2	165.2	-66.9	-67.8	167.8	0	0	111.6	L387 L389 L410 W417 S418 Y419	L387-M426 HydrophobicContact CB-CE 3.83Å; L387-M426 VanDerWaalsContact O-CE 3.3Å; L387-M426 WeakPolarHBondContact O-CE 3.24Å; L387-M426 WeakPolarHBondContact O-CG 3.48Å; L389-M426 HydrophobicContact CD2-CE 3.61Å; L389-M426 HydrophobicContact CG-CE 3.62Å; L410-M426 HydrophobicContact CD1-CE 3.92Å; W417-M426 HydrophobicContact CB-CE 4.41Å; W417-M426 HydrophobicContact CB-SD 3.85Å; W417-M426 HydrophobicContact CG-SD 4.32Å; S418-M426 WeakPolarHBondContact O-CA 3.3Å; Y419-M426 HydrophobicContact CD2-CE 4.08Å; Y419-M426 HydrophobicContact CD2-SD 4.24Å
427	D	96.9	Very high	95.2	Very high	46 Å²	46	55 Å²	55	25%	0.246	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.1	151.5	168.1	-79.2	-52.3	0	0	0	111.4	K407 S418 F430	K407-D427 WeakPolarHBondContact CD-OD2 3.37Å; K407-D427 WeakPolarHBondContact CE-OD2 3.16Å; K407-D427 IonicContact NZ-OD1 2.79Å; K407-D427 PolarHBondContact NZ-OD1 3.38Å; K407-D427 IonicContact NZ-OD2 3.71Å; K407-D427 PolarHBondContact NZ-OD2 2.93Å; S418-D427 WeakPolarHBondContact CB-OD2 3.36Å; S418-D427 PolarHBondContact O-N 3.34Å; S418-D427 PolarHBondContact OG-OD2 3.17Å; D427-F430 HydrophobicContact CB-CD2 3.63Å; D427-F430 HydrophobicContact CB-CE2 3.66Å
428	A	95.5	Very high	95	Very high	103 Å²	103	54.7 Å²	54.7	85%	0.851	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	140.9	176.4	0	0	0	0	0	111.5
429	G	94.1	Very high	94.7	Very high	64 Å²	64	57 Å²	57	66%	0.66	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	25.6	-179.2	0	0	0	0	0	114.6
430	F	96.1	Very high	94.2	Very high	49 Å²	49	57.6 Å²	57.6	22%	0.215	37%	0.368	C	S	.	.			trans	-116.1	151.9	171.3	-74.4	-83.1	0	0	0	111.2	Y416 S418 D427 K432	Y416-F430 HydrophobicContact CD2-CE1 4.24Å; Y416-F430 HydrophobicContact CE1-CE1 4.26Å; Y416-F430 AromaticContact CE2-CE1 3.67Å; Y416-F430 HydrophobicContact CE2-CE1 3.67Å; Y416-F430 HydrophobicContact CE2-CZ 4.37Å; Y416-F430 AromaticContact CZ-CE1 3.67Å; Y416-F430 WeakPolarHBondContact O-CD1 3.22Å; S418-F430 VanDerWaalsContact CB-CE2 3.48Å; S418-F430 VanDerWaalsContact CB-CZ 3.45Å; D427-F430 HydrophobicContact CB-CD2 3.63Å; D427-F430 HydrophobicContact CB-CE2 3.66Å; F430-K432 HydrophobicContact CD1-CB 4.27Å; F430-K432 HydrophobicContact CD1-CD 4.31Å; F430-K432 HydrophobicContact CD1-CG 3.81Å; F430-K432 HydrophobicContact CE1-CB 4.28Å; F430-K432 HydrophobicContact CE1-CD 3.77Å; F430-K432 HydrophobicContact CE1-CG 3.79Å; F430-K432 HydrophobicContact CZ-CD 4.2Å
431	P	96.6	Very high	93.9	Very high	49 Å²	49	56.3 Å²	56.3	32%	0.318	36%	0.361	S	S	.	.			cis	-67.1	169.5	3.5	26.1	-33.7	0	0	0	115.3	E415 Y416 W417	E415-P431 HydrophobicContact CB-CB 4Å; E415-P431 VanDerWaalsContact CD-CB 3.48Å; E415-P431 HydrophobicContact CG-CB 4.24Å; E415-P431 WeakPolarHBondContact OE1-CG 3.44Å; E415-P431 WeakPolarHBondContact OE2-CB 3.38Å; E415-P431 VanDerWaalsContact OE2-CG 3.28Å; E415-P431 WeakPolarHBondContact OE2-CG 3.38Å; Y416-P431 WeakPolarHBondContact O-CA 3.43Å; W417-P431 HydrophobicContact CD2-CB 4.04Å; W417-P431 HydrophobicContact CE3-CB 4.36Å; W417-P431 HydrophobicContact CH2-CB 3.79Å; W417-P431 HydrophobicContact CH2-CG 4.23Å; W417-P431 HydrophobicContact CZ2-CB 3.51Å; W417-P431 HydrophobicContact CZ2-CG 3.67Å; W417-P431 HydrophobicContact CZ3-CB 4.2Å
432	K	96.1	Very high	93.1	Very high	73 Å²	73	61 Å²	61	32%	0.317	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155	169.1	-68.7	-169.4	-177.2	-167.8	0	110.6	E415 Y416 F430 D437	E415-K432 CarbonylContact C-O 3.53Å; E415-K432 VanDerWaalsContact CA-O 3.26Å; E415-K432 WeakPolarHBondContact CA-O 3.4Å; Y416-K432 HydrophobicContact CD1-CB 4.14Å; Y416-K432 HydrophobicContact CE1-CB 3.74Å; Y416-K432 HydrophobicContact CE1-CD 4.32Å; Y416-K432 PolarHBondContact N-O 2.98Å; Y416-K432 PolarHBondContact O-N 3.46Å; F430-K432 HydrophobicContact CD1-CB 4.27Å; F430-K432 HydrophobicContact CD1-CD 4.31Å; F430-K432 HydrophobicContact CD1-CG 3.81Å; F430-K432 HydrophobicContact CE1-CB 4.28Å; F430-K432 HydrophobicContact CE1-CD 3.77Å; F430-K432 HydrophobicContact CE1-CG 3.79Å; F430-K432 HydrophobicContact CZ-CD 4.2Å; K432-D437 WeakPolarHBondContact CD-OD2 3.32Å; K432-D437 WeakPolarHBondContact CE-OD2 3.39Å; K432-D437 IonicContact NZ-OD2 3.92Å; K432-D437 PolarHBondContact NZ-OD2 2.89Å
433	S	95.1	Very high	92.4	Very high	38 Å²	38	59.4 Å²	59.4	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	137.2	165.9	171.2	0	0	0	0	111.3	E435 E436	S433-E435 PolarHBondContact OG-N 2.89Å; S433-E436 PolarHBondContact OG-N 3.22Å
434	V	94.3	Very high	92.1	Very high	7 Å²	7	59 Å²	59	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-69.1	-40.7	171.4	177.7	0	0	0	0	111.1	F411 E414 Y416 E436 D437 F438 M441 F445	F411-V434 HydrophobicContact CD1-CG2 3.72Å; F411-V434 HydrophobicContact CE1-CG1 4.37Å; F411-V434 HydrophobicContact CE1-CG2 3.98Å; E414-V434 WeakPolarHBondContact O-CG2 3.32Å; E414-V434 PolarHBondContact O-N 3.44Å; Y416-V434 HydrophobicContact CD1-CG2 4.16Å; V434-E436 PolarHBondContact O-N 3.27Å; V434-D437 PolarHBondContact O-N 3.01Å; V434-F438 HydrophobicContact CG1-CB 4.23Å; V434-F438 HydrophobicContact CG1-CD2 4.02Å; V434-F438 HydrophobicContact CG1-CG 4.43Å; V434-F438 WeakPolarHBondContact O-CA 3.45Å; V434-F438 VanDerWaalsContact O-CB 3.31Å; V434-F438 WeakPolarHBondContact O-CB 3.22Å; V434-F438 PolarHBondContact O-N 3.15Å; V434-M441 HydrophobicContact CG1-CB 4.27Å; V434-F445 HydrophobicContact CG1-CE2 4.05Å
435	E	91.4	Very high	92.1	Very high	107 Å²	107	57.4 Å²	57.4	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-59.5	-42.1	-179.8	-179.1	179.3	-147.9	0	0	112.6	S433 F438 M441 H442	S433-E435 PolarHBondContact OG-N 2.89Å; E435-F438 CarbonylContact O-C 3.55Å; E435-M441 WeakPolarHBondContact CA-O 3.48Å; E435-H442 IonicContact OE1-CE1 2.94Å; E435-H442 PolarHBondContact OE1-CE1 2.85Å; E435-H442 IonicContact OE1-ND1 3Å; E435-H442 PolarHBondContact OE1-ND1 3.48Å
436	E	91.8	Very high	92	Very high	147 Å²	147	56 Å²	56	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-66.8	-42.6	-178.3	-69.3	-169.4	153.3	0	0	113.1	S433 V434 R471	S433-E436 PolarHBondContact OG-N 3.22Å; V434-E436 PolarHBondContact O-N 3.27Å; E436-R471 PolarHBondContact O-NH2 2.94Å
437	D	92.8	Very high	92	Very high	45 Å²	45	54.1 Å²	54.1	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-92	-20.8	-178.2	-97.4	-15.7	0	0	0	113.7	Y416 K432 V434 P439 R471	Y416-D437 HydrophobicContact CE1-CB 4.02Å; Y416-D437 PolarHBondContact OH-OD2 3.38Å; Y416-D437 VanDerWaalsContact OH-OD2 3.08Å; K432-D437 WeakPolarHBondContact CD-OD2 3.32Å; K432-D437 WeakPolarHBondContact CE-OD2 3.39Å; K432-D437 IonicContact NZ-OD2 3.92Å; K432-D437 PolarHBondContact NZ-OD2 2.89Å; V434-D437 PolarHBondContact O-N 3.01Å; D437-P439 WeakPolarHBondContact O-CD 3.32Å; D437-R471 VanDerWaalsContact CA-NH2 3.26Å; D437-R471 PolarHBondContact O-NE 3.43Å; D437-R471 PolarHBondContact O-NH2 2.89Å; D437-R471 IonicContact OD1-NH2 3.94Å
438	F	93.6	Very high	92	Very high	8 Å²	8	52 Å²	52	4%	0.035	30%	0.304	C	S	.	.	S	Bend	trans	-121.4	70.6	174.8	-56.8	-95.1	0	0	0	113.7	L409 F411 Y416 V434 E435 G440 M441 L455 F457 Y466 L468	L409-F438 HydrophobicContact CD1-CZ 3.81Å; F411-F438 HydrophobicContact CE1-CE2 4.19Å; F411-F438 HydrophobicContact CZ-CE2 4.32Å; F411-F438 HydrophobicContact CZ-CZ 4.26Å; Y416-F438 HydrophobicContact CD1-CE2 4.16Å; Y416-F438 HydrophobicContact CD2-CE2 4.38Å; Y416-F438 HydrophobicContact CE1-CD2 4.36Å; Y416-F438 AromaticContact CE1-CE2 3.79Å; Y416-F438 HydrophobicContact CE1-CE2 3.79Å; Y416-F438 HydrophobicContact CE2-CE2 4.01Å; Y416-F438 HydrophobicContact CE2-CZ 4.45Å; Y416-F438 HydrophobicContact CG-CE2 4.44Å; Y416-F438 AromaticContact CZ-CE2 3.7Å; V434-F438 HydrophobicContact CG1-CB 4.23Å; V434-F438 HydrophobicContact CG1-CD2 4.02Å; V434-F438 HydrophobicContact CG1-CG 4.43Å; V434-F438 WeakPolarHBondContact O-CA 3.45Å; V434-F438 VanDerWaalsContact O-CB 3.31Å; V434-F438 WeakPolarHBondContact O-CB 3.22Å; V434-F438 PolarHBondContact O-N 3.15Å; E435-F438 CarbonylContact O-C 3.55Å; F438-G440 PolarHBondContact O-N 3.3Å; F438-M441 HydrophobicContact CB-CB 4.1Å; F438-M441 HydrophobicContact CB-CG 3.82Å; F438-M441 VanDerWaalsContact O-CB 3.28Å; F438-M441 WeakPolarHBondContact O-CB 3.45Å; F438-M441 WeakPolarHBondContact O-CG 3.36Å; F438-M441 PolarHBondContact O-N 3.46Å; F438-L455 HydrophobicContact CE1-CD1 3.86Å; F438-F457 HydrophobicContact CD1-CE2 4.33Å; F438-F457 AromaticContact CD1-CZ 3.89Å; F438-F457 HydrophobicContact CD1-CZ 3.89Å; F438-F457 AromaticContact CE1-CZ 3.96Å; F438-F457 HydrophobicContact CE1-CZ 3.96Å; F438-F457 HydrophobicContact CG-CZ 4.46Å; F438-Y466 WeakPolarHBondContact CA-OH 3.19Å; F438-Y466 HydrophobicContact CB-CE2 4.25Å; F438-Y466 HydrophobicContact CD1-CD1 4.11Å; F438-Y466 AromaticContact CD1-CE1 3.65Å; F438-Y466 HydrophobicContact CD1-CE1 3.65Å; F438-Y466 AromaticContact CD1-CZ 3.92Å; F438-Y466 HydrophobicContact CE1-CE1 4.35Å; F438-L468 HydrophobicContact CE1-CD2 3.96Å
439	P	92.4	Very high	92	Very high	57 Å²	57	47.4 Å²	47.4	37%	0.37	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	128.4	-176.4	-29.1	36.4	0	0	0	114.7	D437	D437-P439 WeakPolarHBondContact O-CD 3.32Å
440	G	86.3	Confident	91.9	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	3.1	-174.6	0	0	0	0	0	114.4	F438 H442	F438-G440 PolarHBondContact O-N 3.3Å; G440-H442 WeakPolarHBondContact CA-NE2 3.42Å
441	M	89.9	Confident	91.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.243	C	C	.	.			trans	-109.9	115.7	171.4	-51	-54.4	-73.5	0	0	107.8	V434 E435 F438 F445 F457 Y464 Y466 V473	V434-M441 HydrophobicContact CG1-CB 4.27Å; E435-M441 WeakPolarHBondContact CA-O 3.48Å; F438-M441 HydrophobicContact CB-CB 4.1Å; F438-M441 HydrophobicContact CB-CG 3.82Å; F438-M441 VanDerWaalsContact O-CB 3.28Å; F438-M441 WeakPolarHBondContact O-CB 3.45Å; F438-M441 WeakPolarHBondContact O-CG 3.36Å; F438-M441 PolarHBondContact O-N 3.46Å; M441-F445 HydrophobicContact CB-CE2 3.99Å; M441-F445 HydrophobicContact CB-CZ 3.81Å; M441-F445 HydrophobicContact CE-CD1 4.49Å; M441-F445 HydrophobicContact CE-CE1 3.56Å; M441-F445 HydrophobicContact CE-CE2 4.12Å; M441-F445 HydrophobicContact CE-CZ 3.35Å; M441-F457 HydrophobicContact CE-CB 3.56Å; M441-F457 HydrophobicContact CE-CD1 4.26Å; M441-F457 HydrophobicContact CE-CD2 3.61Å; M441-F457 HydrophobicContact CE-CE2 4.31Å; M441-F457 HydrophobicContact CE-CG 3.58Å; M441-Y464 HydrophobicContact CE-CD1 4.37Å; M441-Y464 HydrophobicContact CE-CD2 4.37Å; M441-Y464 HydrophobicContact CE-CG 3.89Å; M441-Y464 HydrophobicContact SD-CD1 4.48Å; M441-Y466 HydrophobicContact CG-CD2 3.96Å; M441-Y466 HydrophobicContact CG-CE2 4.14Å; M441-Y466 HydrophobicContact SD-CD2 3.97Å; M441-V473 HydrophobicContact SD-CG2 3.41Å; M441-V473 WeakPolarHBondContact SD-CG2 3.34Å
442	H	77.9	Confident	90.8	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.519	26%	0.262	S	S	.	.			trans	-127.4	2.6	-169.8	-58.2	-85.1	0	0	0	113.8	E435 G440	E435-H442 IonicContact OE1-CE1 2.94Å; E435-H442 PolarHBondContact OE1-CE1 2.85Å; E435-H442 IonicContact OE1-ND1 3Å; E435-H442 PolarHBondContact OE1-ND1 3.48Å; G440-H442 WeakPolarHBondContact CA-NE2 3.42Å
443	D	78.3	Confident	90.4	Very high	61 Å²	61	50 Å²	50	33%	0.326	27%	0.27	S	S	.	.	S	Bend	trans	-118.8	162.2	-167.6	-45.1	-64.7	0	0	0	111.4	F445 H459	D443-F445 HydrophobicContact CB-CE1 4.44Å; D443-F445 HydrophobicContact CB-CZ 4.38Å; D443-F445 WeakPolarHBondContact O-CD2 3.48Å; D443-F445 WeakPolarHBondContact O-CE2 3.32Å; D443-F445 WeakPolarHBondContact O-CZ 3.46Å; D443-H459 HydrophobicContact CB-CB 4.49Å
444	E	88.2	Confident	90.3	Very high	83 Å²	83	51.9 Å²	51.9	39%	0.388	27%	0.272	S	S	.	.			trans	-71.5	130.5	166.4	-177.6	-169.4	155.5	0	0	109	H459	E444-H459 PolarHBondContact O-ND1 3.21Å
445	F	92.9	Very high	90.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.018	27%	0.27	C	S	.	.			trans	-99.1	124.3	-176.9	-64.3	-67.7	0	0	0	112.4	D397 A398 V434 M441 D443 A447 F457 F458 H459 Y464	D397-F445 CarbonylContact C-O 3.42Å; A398-F445 HydrophobicContact CB-CB 4.38Å; V434-F445 HydrophobicContact CG1-CE2 4.05Å; M441-F445 HydrophobicContact CB-CE2 3.99Å; M441-F445 HydrophobicContact CB-CZ 3.81Å; M441-F445 HydrophobicContact CE-CD1 4.49Å; M441-F445 HydrophobicContact CE-CE1 3.56Å; M441-F445 HydrophobicContact CE-CE2 4.12Å; M441-F445 HydrophobicContact CE-CZ 3.35Å; D443-F445 HydrophobicContact CB-CE1 4.44Å; D443-F445 HydrophobicContact CB-CZ 4.38Å; D443-F445 WeakPolarHBondContact O-CD2 3.48Å; D443-F445 WeakPolarHBondContact O-CE2 3.32Å; D443-F445 WeakPolarHBondContact O-CZ 3.46Å; F445-A447 VanDerWaalsContact C-N 3.3Å; F445-F457 HydrophobicContact CB-CD1 4.33Å; F445-F457 HydrophobicContact CD1-CB 3.73Å; F445-F457 HydrophobicContact CD1-CD1 4.18Å; F445-F457 HydrophobicContact CD1-CG 4.39Å; F445-F457 AromaticContact CD2-CD1 3.75Å; F445-F457 HydrophobicContact CD2-CD1 3.75Å; F445-F457 HydrophobicContact CD2-CE1 4.27Å; F445-F457 HydrophobicContact CE1-CB 3.99Å; F445-F457 HydrophobicContact CE2-CD1 4.17Å; F445-F457 HydrophobicContact CG-CB 4.18Å; F445-F457 AromaticContact CG-CD1 3.77Å; F445-F457 HydrophobicContact CG-CD1 3.77Å; F445-F457 HydrophobicContact CG-CG 4.43Å; F445-F458 CarbonylContact C-O 3.58Å; F445-F458 WeakPolarHBondContact CA-O 3.4Å; F445-H459 HydrophobicContact CD1-CB 3.94Å; F445-H459 HydrophobicContact CE1-CB 4.12Å; F445-Y464 HydrophobicContact CE1-CD2 4.42Å
446	D	94.8	Very high	90.5	Very high	43 Å²	43	47.1 Å²	47.1	23%	0.23	25%	0.249	C	C	.	.	S	Bend	trans	-70.4	-25.8	175.4	-62.8	-70.4	0	0	0	112.6	F304 D305 D397 F458 E460	F304-D446 VanDerWaalsContact O-CB 3.24Å; F304-D446 WeakPolarHBondContact O-CB 3.27Å; D305-D446 CarbonylContact C-O 3.55Å; D397-D446 CarbonylContact O-C 3.57Å; D446-F458 PolarHBondContact N-O 2.95Å; D446-E460 PolarHBondContact OD2-N 3.39Å
447	A	97.3	Very high	90.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	158.6	175.3	0	0	0	0	0	111.9	V307 F445 F458	V307-A447 HydrophobicContact CB-CB 4.42Å; V307-A447 HydrophobicContact CG2-CB 3.98Å; F445-A447 VanDerWaalsContact C-N 3.3Å; A447-F458 HydrophobicContact CB-CB 4.16Å; A447-F458 HydrophobicContact CB-CD2 3.87Å; A447-F458 HydrophobicContact CB-CG 4.36Å; A447-F458 PolarHBondContact N-O 3Å; A447-F458 PolarHBondContact O-N 3.06Å
448	V	96.8	Very high	90.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	141	167.2	63.8	0	0	0	0	109.7	A398 A399 V400 F411 L455 Y456 F457	A398-V448 HydrophobicContact CB-CB 4.19Å; A398-V448 HydrophobicContact CB-CG1 3.62Å; A399-V448 VanDerWaalsContact O-O 3.05Å; V400-V448 HydrophobicContact CB-CG1 3.9Å; V400-V448 HydrophobicContact CG1-CG1 3.76Å; V400-V448 HydrophobicContact CG1-CG2 4.19Å; F411-V448 HydrophobicContact CD2-CG1 3.91Å; F411-V448 HydrophobicContact CE2-CG1 3.8Å; V448-L455 HydrophobicContact CG2-CB 4.47Å; V448-L455 HydrophobicContact CG2-CD2 4.14Å; V448-Y456 CarbonylContact C-O 3.49Å; V448-Y456 VanDerWaalsContact CA-O 3.25Å; V448-Y456 WeakPolarHBondContact CA-O 3.43Å; V448-F457 HydrophobicContact CB-CD1 3.87Å; V448-F457 HydrophobicContact CB-CE1 4.25Å; V448-F457 HydrophobicContact CB-CG 4.37Å; V448-F457 HydrophobicContact CG2-CD1 3.56Å; V448-F457 HydrophobicContact CG2-CD2 4.16Å; V448-F457 HydrophobicContact CG2-CE1 3.7Å; V448-F457 HydrophobicContact CG2-CE2 4.29Å; V448-F457 HydrophobicContact CG2-CG 3.81Å; V448-F457 HydrophobicContact CG2-CZ 4.07Å
449	T	94.9	Very high	91	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159.6	171.4	-169.9	0	0	0	0	111.1	V307 H451 L455 Y456 F458 F482	V307-T449 HydrophobicContact CB-CG2 4.35Å; V307-T449 HydrophobicContact CG1-CG2 3.71Å; T449-H451 HydrophobicContact CG2-CB 4.42Å; T449-L455 CarbonylContact O-C 3.57Å; T449-L455 WeakPolarHBondContact O-CA 3.23Å; T449-Y456 PolarHBondContact N-O 3.33Å; T449-Y456 PolarHBondContact O-N 3.29Å; T449-F458 HydrophobicContact CG2-CE2 4.3Å; T449-F482 HydrophobicContact CG2-CZ 4.4Å
450	F	92.2	Very high	91	Very high	50 Å²	50	42.5 Å²	42.5	22%	0.219	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	103.4	173.2	-175.8	-93.1	0	0	0	109.1	V400 Y454 L455 L468	V400-F450 HydrophobicContact CG2-CB 3.58Å; F450-Y454 CarbonylContact C-O 3.52Å; F450-Y454 WeakPolarHBondContact CA-O 3.34Å; F450-L455 HydrophobicContact CB-CD2 4.06Å; F450-L455 HydrophobicContact CD2-CD2 3.89Å; F450-L455 HydrophobicContact CD2-CG 4.21Å; F450-L455 HydrophobicContact CG-CD2 4.49Å; F450-L468 HydrophobicContact CE2-CD1 4.27Å
451	H	86.3	Confident	91.4	Very high	39 Å²	39	41.7 Å²	41.7	18%	0.181	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.4	-175.2	-170.7	66.5	0	0	0	110.3	E309 T449 G453 Y454 Y456 F482	E309-H451 IonicContact OE1-CE1 3.49Å; E309-H451 IonicContact OE1-CG 2.81Å; E309-H451 IonicContact OE1-ND1 3.43Å; E309-H451 PolarHBondContact OE1-ND1 2.83Å; T449-H451 HydrophobicContact CG2-CB 4.42Å; H451-G453 PolarHBondContact O-N 3.06Å; H451-Y454 PolarHBondContact N-O 2.91Å; H451-Y454 PolarHBondContact O-N 3.48Å; H451-Y456 HydrophobicContact CB-CD2 3.87Å; H451-Y456 HydrophobicContact CB-CE2 3.93Å; H451-Y456 WeakPolarHBondContact O-CE2 3.39Å; H451-F482 HydrophobicContact CB-CZ 4.41Å
452	Q	83.4	Confident	91.7	Very high	154 Å²	154	44 Å²	44	72%	0.72	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	22.4	177.9	-64.9	178.6	38.1	0	0	116.2
453	G	87.1	Confident	92.5	Very high	47 Å²	47	38.8 Å²	38.8	49%	0.485	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	4	-179.6	0	0	0	0	0	116	H451	H451-G453 PolarHBondContact O-N 3.06Å
454	Y	93.3	Very high	93.3	Very high	78 Å²	78	37.3 Å²	37.3	31%	0.306	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158	176.2	-61.7	-90	0	0	0	110.7	F450 H451 E465 I474	F450-Y454 CarbonylContact C-O 3.52Å; F450-Y454 WeakPolarHBondContact CA-O 3.34Å; H451-Y454 PolarHBondContact N-O 2.91Å; H451-Y454 PolarHBondContact O-N 3.48Å; Y454-E465 HydrophobicContact CD1-CG 4.21Å; Y454-E465 HydrophobicContact CG-CG 4.13Å; Y454-I474 HydrophobicContact CD1-CG1 4.4Å; Y454-I474 HydrophobicContact CE1-CG1 4.13Å
455	L	94.9	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131	162.8	-72.7	172.2	0	0	0	108.4	V400 I402 F438 V448 T449 F450 F457 Y466 L468	V400-L455 HydrophobicContact CB-CD2 4.46Å; V400-L455 HydrophobicContact CG1-CD2 3.88Å; V400-L455 HydrophobicContact CG2-CD2 3.87Å; I402-L455 HydrophobicContact CD1-CD1 4.41Å; I402-L455 HydrophobicContact CD1-CD2 4.5Å; F438-L455 HydrophobicContact CE1-CD1 3.86Å; V448-L455 HydrophobicContact CG2-CB 4.47Å; V448-L455 HydrophobicContact CG2-CD2 4.14Å; T449-L455 CarbonylContact O-C 3.57Å; T449-L455 WeakPolarHBondContact O-CA 3.23Å; F450-L455 HydrophobicContact CB-CD2 4.06Å; F450-L455 HydrophobicContact CD2-CD2 3.89Å; F450-L455 HydrophobicContact CD2-CG 4.21Å; F450-L455 HydrophobicContact CG-CD2 4.49Å; L455-F457 HydrophobicContact CB-CD2 4.07Å; L455-F457 HydrophobicContact CB-CE2 3.62Å; L455-F457 HydrophobicContact CB-CZ 4.36Å; L455-F457 HydrophobicContact CD1-CE2 3.9Å; L455-F457 HydrophobicContact CD1-CZ 3.93Å; L455-F457 HydrophobicContact CG-CE2 4.38Å; L455-Y466 PolarHBondContact N-O 2.86Å; L455-Y466 PolarHBondContact O-N 3.43Å; L455-L468 HydrophobicContact CD1-CD1 4.07Å; L455-L468 HydrophobicContact CD1-CD2 3.75Å; L455-L468 HydrophobicContact CD1-CG 3.94Å; L455-L468 HydrophobicContact CG-CD1 4.24Å; L455-L468 HydrophobicContact CG-CG 4.35Å
456	Y	95.6	Very high	93.8	Very high	13 Å²	13	34 Å²	34	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.4	169.1	-69.7	-93.3	0	0	0	107.5	V448 T449 H451 F458 Y464 E465 F482	V448-Y456 CarbonylContact C-O 3.49Å; V448-Y456 VanDerWaalsContact CA-O 3.25Å; V448-Y456 WeakPolarHBondContact CA-O 3.43Å; T449-Y456 PolarHBondContact N-O 3.33Å; T449-Y456 PolarHBondContact O-N 3.29Å; H451-Y456 HydrophobicContact CB-CD2 3.87Å; H451-Y456 HydrophobicContact CB-CE2 3.93Å; H451-Y456 WeakPolarHBondContact O-CE2 3.39Å; Y456-F458 WeakPolarHBondContact O-CE2 3.35Å; Y456-Y464 WeakPolarHBondContact CA-O 3.24Å; Y456-E465 HydrophobicContact CD1-CB 4.07Å; Y456-E465 HydrophobicContact CD1-CG 4.36Å; Y456-E465 HydrophobicContact CE1-CB 3.7Å; Y456-E465 HydrophobicContact CE1-CG 3.65Å; Y456-F482 AromaticContact CD1-CE2 3.75Å; Y456-F482 HydrophobicContact CD1-CE2 3.75Å; Y456-F482 HydrophobicContact CD2-CE2 4.27Å; Y456-F482 HydrophobicContact CD2-CZ 4.47Å; Y456-F482 HydrophobicContact CE1-CE2 4.2Å; Y456-F482 AromaticContact CG-CE2 3.78Å; Y456-F482 HydrophobicContact CG-CE2 3.78Å; Y456-F482 HydrophobicContact CG-CZ 4.36Å
457	F	96.3	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	147.9	172.9	-64.9	-98.8	0	0	0	109.4	F411 F438 M441 F445 V448 L455 Q463 Y464 Y466	F411-F457 AromaticContact CE1-CE1 3.87Å; F411-F457 HydrophobicContact CE1-CE1 3.87Å; F411-F457 HydrophobicContact CE2-CE1 4.35Å; F411-F457 AromaticContact CZ-CE1 3.71Å; F411-F457 HydrophobicContact CZ-CE1 3.71Å; F411-F457 HydrophobicContact CZ-CZ 4.17Å; F438-F457 HydrophobicContact CD1-CE2 4.33Å; F438-F457 AromaticContact CD1-CZ 3.89Å; F438-F457 HydrophobicContact CD1-CZ 3.89Å; F438-F457 AromaticContact CE1-CZ 3.96Å; F438-F457 HydrophobicContact CE1-CZ 3.96Å; F438-F457 HydrophobicContact CG-CZ 4.46Å; M441-F457 HydrophobicContact CE-CB 3.56Å; M441-F457 HydrophobicContact CE-CD1 4.26Å; M441-F457 HydrophobicContact CE-CD2 3.61Å; M441-F457 HydrophobicContact CE-CE2 4.31Å; M441-F457 HydrophobicContact CE-CG 3.58Å; F445-F457 HydrophobicContact CB-CD1 4.33Å; F445-F457 HydrophobicContact CD1-CB 3.73Å; F445-F457 HydrophobicContact CD1-CD1 4.18Å; F445-F457 HydrophobicContact CD1-CG 4.39Å; F445-F457 AromaticContact CD2-CD1 3.75Å; F445-F457 HydrophobicContact CD2-CD1 3.75Å; F445-F457 HydrophobicContact CD2-CE1 4.27Å; F445-F457 HydrophobicContact CE1-CB 3.99Å; F445-F457 HydrophobicContact CE2-CD1 4.17Å; F445-F457 HydrophobicContact CG-CB 4.18Å; F445-F457 AromaticContact CG-CD1 3.77Å; F445-F457 HydrophobicContact CG-CD1 3.77Å; F445-F457 HydrophobicContact CG-CG 4.43Å; V448-F457 HydrophobicContact CB-CD1 3.87Å; V448-F457 HydrophobicContact CB-CE1 4.25Å; V448-F457 HydrophobicContact CB-CG 4.37Å; V448-F457 HydrophobicContact CG2-CD1 3.56Å; V448-F457 HydrophobicContact CG2-CD2 4.16Å; V448-F457 HydrophobicContact CG2-CE1 3.7Å; V448-F457 HydrophobicContact CG2-CE2 4.29Å; V448-F457 HydrophobicContact CG2-CG 3.81Å; V448-F457 HydrophobicContact CG2-CZ 4.07Å; L455-F457 HydrophobicContact CB-CD2 4.07Å; L455-F457 HydrophobicContact CB-CE2 3.62Å; L455-F457 HydrophobicContact CB-CZ 4.36Å; L455-F457 HydrophobicContact CD1-CE2 3.9Å; L455-F457 HydrophobicContact CD1-CZ 3.93Å; L455-F457 HydrophobicContact CG-CE2 4.38Å; F457-Q463 CarbonylContact O-C 3.59Å; F457-Q463 VanDerWaalsContact O-CA 3.32Å; F457-Q463 WeakPolarHBondContact O-CA 3.4Å; F457-Y464 PolarHBondContact N-O 3.29Å; F457-Y464 PolarHBondContact O-N 3.28Å; F457-Y466 HydrophobicContact CE2-CD1 4.4Å; F457-Y466 HydrophobicContact CE2-CG 4.14Å
458	F	96.3	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133	178.3	-56.4	-92.9	0	0	0	109.5	F304 V307 F445 D446 A447 T449 Y456 M462 Q463 T479 F482	F304-F458 AromaticContact CD2-CD1 3.72Å; F304-F458 HydrophobicContact CD2-CD1 3.72Å; F304-F458 AromaticContact CD2-CE1 3.71Å; F304-F458 HydrophobicContact CD2-CE1 3.71Å; F304-F458 HydrophobicContact CD2-CG 4.15Å; F304-F458 HydrophobicContact CD2-CZ 4.13Å; F304-F458 HydrophobicContact CE2-CD1 4.02Å; F304-F458 AromaticContact CE2-CE1 3.61Å; F304-F458 HydrophobicContact CE2-CE1 3.61Å; F304-F458 HydrophobicContact CE2-CZ 4.13Å; V307-F458 HydrophobicContact CB-CE2 4.35Å; V307-F458 HydrophobicContact CG2-CD2 4.16Å; V307-F458 HydrophobicContact CG2-CE2 3.86Å; V307-F458 HydrophobicContact CG2-CZ 4.33Å; F445-F458 CarbonylContact C-O 3.58Å; F445-F458 WeakPolarHBondContact CA-O 3.4Å; D446-F458 PolarHBondContact N-O 2.95Å; A447-F458 HydrophobicContact CB-CB 4.16Å; A447-F458 HydrophobicContact CB-CD2 3.87Å; A447-F458 HydrophobicContact CB-CG 4.36Å; A447-F458 PolarHBondContact N-O 3Å; A447-F458 PolarHBondContact O-N 3.06Å; T449-F458 HydrophobicContact CG2-CE2 4.3Å; Y456-F458 WeakPolarHBondContact O-CE2 3.35Å; F458-M462 WeakPolarHBondContact CA-O 3.41Å; F458-Q463 HydrophobicContact CD1-CB 3.57Å; F458-Q463 HydrophobicContact CE1-CB 3.6Å; F458-Q463 HydrophobicContact CG-CB 4.5Å; F458-T479 HydrophobicContact CD1-CG2 3.84Å; F458-T479 HydrophobicContact CE1-CG2 4.38Å; F458-F482 HydrophobicContact CE1-CD2 4.04Å; F458-F482 HydrophobicContact CE1-CG 4.4Å; F458-F482 AromaticContact CZ-CD2 3.75Å; F458-F482 HydrophobicContact CZ-CD2 3.75Å; F458-F482 AromaticContact CZ-CE2 3.95Å; F458-F482 HydrophobicContact CZ-CE2 3.95Å; F458-F482 HydrophobicContact CZ-CG 4.18Å
459	H	95.1	Very high	93.3	Very high	45 Å²	45	45.7 Å²	45.7	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121.6	173.6	171.4	76	0	0	0	107.9	D443 E444 F445 N461 M462 Y464	D443-H459 HydrophobicContact CB-CB 4.49Å; E444-H459 PolarHBondContact O-ND1 3.21Å; F445-H459 HydrophobicContact CD1-CB 3.94Å; F445-H459 HydrophobicContact CE1-CB 4.12Å; H459-N461 PolarHBondContact O-N 3.28Å; H459-M462 PolarHBondContact N-O 3.28Å; H459-M462 PolarHBondContact O-N 2.92Å; H459-Y464 HydrophobicContact CB-CE2 4.24Å
460	E	93.8	Very high	93.2	Very high	116 Å²	116	51.2 Å²	51.2	54%	0.542	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	-128.1	-169.2	-59.3	-169.7	155.7	0	0	111.3	S303 D446 M462 T479	S303-E460 VanDerWaalsContact CA-O 3.23Å; S303-E460 WeakPolarHBondContact CA-O 3.46Å; S303-E460 VanDerWaalsContact CB-C 3.46Å; S303-E460 WeakPolarHBondContact CB-O 3.44Å; D446-E460 PolarHBondContact OD2-N 3.39Å; E460-M462 VanDerWaalsContact C-N 3.27Å; E460-M462 PolarHBondContact O-N 2.92Å; E460-T479 PolarHBondContact O-OG1 3.43Å
461	N	94.6	Very high	93.2	Very high	21 Å²	21	54.5 Å²	54.5	11%	0.112	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	7.2	-178.8	59.6	32.4	0	0	0	113.5	E301 H459 R478 T479	E301-N461 PolarHBondContact OE2-ND2 3.13Å; H459-N461 PolarHBondContact O-N 3.28Å; N461-R478 PolarHBondContact ND2-NH1 2.69Å; N461-R478 CarbonylContact O-C 3.56Å; N461-R478 VanDerWaalsContact O-CA 3.31Å; N461-R478 WeakPolarHBondContact O-CA 3.49Å; N461-R478 WeakPolarHBondContact O-CD 3.19Å; N461-R478 PolarHBondContact OD1-NH1 2.82Å; N461-T479 PolarHBondContact O-N 2.92Å; N461-T479 PolarHBondContact O-OG1 3.48Å
462	M	95.4	Very high	93.6	Very high	49 Å²	49	57.9 Å²	57.9	24%	0.241	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.8	-176.1	-58.7	-53.8	-64.1	0	0	113.4	F458 H459 E460 Y464 I476 M477 T479	F458-M462 WeakPolarHBondContact CA-O 3.41Å; H459-M462 PolarHBondContact N-O 3.28Å; H459-M462 PolarHBondContact O-N 2.92Å; E460-M462 VanDerWaalsContact C-N 3.27Å; E460-M462 PolarHBondContact O-N 2.92Å; M462-Y464 HydrophobicContact CB-CE2 3.76Å; M462-I476 HydrophobicContact CE-CG2 3.45Å; M462-I476 VanDerWaalsContact CE-CG2 3.45Å; M462-M477 WeakPolarHBondContact CE-O 3.46Å; M462-T479 PolarHBondContact N-OG1 2.97Å; M462-T479 PolarHBondContact O-OG1 2.62Å
463	Q	94.8	Very high	94.2	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.3	169.8	69.3	170.5	-83.9	0	0	112.3	F457 F458 I476 M477 R478 S481	F457-Q463 CarbonylContact O-C 3.59Å; F457-Q463 VanDerWaalsContact O-CA 3.32Å; F457-Q463 WeakPolarHBondContact O-CA 3.4Å; F458-Q463 HydrophobicContact CD1-CB 3.57Å; F458-Q463 HydrophobicContact CE1-CB 3.6Å; F458-Q463 HydrophobicContact CG-CB 4.5Å; Q463-I476 WeakPolarHBondContact O-CA 3.36Å; Q463-M477 HydrophobicContact CG-CB 3.77Å; Q463-M477 HydrophobicContact CG-CE 4.33Å; Q463-M477 PolarHBondContact N-O 2.84Å; Q463-M477 PolarHBondContact O-N 2.85Å; Q463-M477 VanDerWaalsContact OE1-CE 3.28Å; Q463-R478 PolarHBondContact NE2-O 2.78Å; Q463-S481 PolarHBondContact NE2-OG 3.35Å
464	Y	95.6	Very high	94.6	Very high	31 Å²	31	53.4 Å²	53.4	12%	0.122	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.5	-174.7	-56.6	-103.6	0	0	0	110	M441 F445 Y456 F457 H459 M462 Y466 I476	M441-Y464 HydrophobicContact CE-CD1 4.37Å; M441-Y464 HydrophobicContact CE-CD2 4.37Å; M441-Y464 HydrophobicContact CE-CG 3.89Å; M441-Y464 HydrophobicContact SD-CD1 4.48Å; F445-Y464 HydrophobicContact CE1-CD2 4.42Å; Y456-Y464 WeakPolarHBondContact CA-O 3.24Å; F457-Y464 PolarHBondContact N-O 3.29Å; F457-Y464 PolarHBondContact O-N 3.28Å; H459-Y464 HydrophobicContact CB-CE2 4.24Å; M462-Y464 HydrophobicContact CB-CE2 3.76Å; Y464-Y466 PolarHBondContact O-N 3.17Å; Y464-I476 HydrophobicContact CD1-CD1 4.02Å; Y464-I476 HydrophobicContact CD1-CG1 3.88Å; Y464-I476 HydrophobicContact CD1-CG2 4.4Å; Y464-I476 HydrophobicContact CE1-CD1 4.02Å; Y464-I476 HydrophobicContact CE1-CG1 4.29Å; Y464-I476 HydrophobicContact CE1-CG2 4.32Å
465	E	95.9	Very high	94.7	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	107.2	174.9	-178.3	-173.6	135	0	0	109.1	Y454 Y456 I474 R475	Y454-E465 HydrophobicContact CD1-CG 4.21Å; Y454-E465 HydrophobicContact CG-CG 4.13Å; Y456-E465 HydrophobicContact CD1-CB 4.07Å; Y456-E465 HydrophobicContact CD1-CG 4.36Å; Y456-E465 HydrophobicContact CE1-CB 3.7Å; Y456-E465 HydrophobicContact CE1-CG 3.65Å; E465-I474 HydrophobicContact CG-CB 4.34Å; E465-I474 WeakPolarHBondContact O-CB 3.38Å; E465-I474 PolarHBondContact O-N 3.41Å; E465-R475 HydrophobicContact CB-CB 4.12Å; E465-R475 PolarHBondContact N-O 3.2Å; E465-R475 IonicContact OE2-CZ 3.22Å; E465-R475 IonicContact OE2-NE 3.75Å; E465-R475 PolarHBondContact OE2-NE 2.68Å; E465-R475 IonicContact OE2-NH2 2.73Å; E465-R475 PolarHBondContact OE2-NH2 3.22Å
466	Y	95.9	Very high	94.7	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.7	-173.1	-173.5	-85.4	0	0	0	112.2	F438 M441 L455 F457 Y464 L468 R471 K472 V473	F438-Y466 WeakPolarHBondContact CA-OH 3.19Å; F438-Y466 HydrophobicContact CB-CE2 4.25Å; F438-Y466 HydrophobicContact CD1-CD1 4.11Å; F438-Y466 AromaticContact CD1-CE1 3.65Å; F438-Y466 HydrophobicContact CD1-CE1 3.65Å; F438-Y466 AromaticContact CD1-CZ 3.92Å; F438-Y466 HydrophobicContact CE1-CE1 4.35Å; M441-Y466 HydrophobicContact CG-CD2 3.96Å; M441-Y466 HydrophobicContact CG-CE2 4.14Å; M441-Y466 HydrophobicContact SD-CD2 3.97Å; L455-Y466 PolarHBondContact N-O 2.86Å; L455-Y466 PolarHBondContact O-N 3.43Å; F457-Y466 HydrophobicContact CE2-CD1 4.4Å; F457-Y466 HydrophobicContact CE2-CG 4.14Å; Y464-Y466 PolarHBondContact O-N 3.17Å; Y466-L468 HydrophobicContact CE1-CD2 4.3Å; Y466-R471 VanDerWaalsContact OH-C 3.24Å; Y466-R471 VanDerWaalsContact OH-CA 3.22Å; Y466-R471 WeakPolarHBondContact OH-CA 3.47Å; Y466-K472 VanDerWaalsContact CE2-C 3.45Å; Y466-V473 HydrophobicContact CD2-CG2 4.12Å
467	S	94.8	Very high	94.7	Very high	7 Å²	7	61 Å²	61	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.4	178.3	-169.8	0	0	0	0	112	R469 F470 R471 K472	S467-R469 PolarHBondContact O-N 3.31Å; S467-R469 VanDerWaalsContact O-N 3.14Å; S467-F470 PolarHBondContact O-N 3.01Å; S467-F470 VanDerWaalsContact O-N 3.08Å; S467-F470 WeakPolarHBondContact OG-CD2 3.39Å; S467-R471 WeakPolarHBondContact O-CA 3.38Å; S467-R471 PolarHBondContact O-N 3.49Å; S467-K472 PolarHBondContact N-O 3.11Å
468	L	91.3	Very high	94.6	Very high	67 Å²	67	65.1 Å²	65.1	35%	0.351	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33	171.4	-69.8	170.4	0	0	0	112.9	I402 F438 F450 L455 Y466	I402-L468 HydrophobicContact CD1-CD1 4.09Å; I402-L468 HydrophobicContact CG2-CD1 4.22Å; F438-L468 HydrophobicContact CE1-CD2 3.96Å; F450-L468 HydrophobicContact CE2-CD1 4.27Å; L455-L468 HydrophobicContact CD1-CD1 4.07Å; L455-L468 HydrophobicContact CD1-CD2 3.75Å; L455-L468 HydrophobicContact CD1-CG 3.94Å; L455-L468 HydrophobicContact CG-CD1 4.24Å; L455-L468 HydrophobicContact CG-CG 4.35Å; Y466-L468 HydrophobicContact CE1-CD2 4.3Å
469	R	91.2	Very high	94.5	Very high	216 Å²	216	65.1 Å²	65.1	82%	0.815	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-35.8	178.9	-178.6	178.7	179	-176.1	0.4	113.3	S467	S467-R469 PolarHBondContact O-N 3.31Å; S467-R469 VanDerWaalsContact O-N 3.14Å
470	F	92.9	Very high	94.4	Very high	123 Å²	123	63.9 Å²	63.9	54%	0.539	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-3.7	-176.4	-62.1	-63.4	0	0	0	113.4	S467 K472 I474	S467-F470 PolarHBondContact O-N 3.01Å; S467-F470 VanDerWaalsContact O-N 3.08Å; S467-F470 WeakPolarHBondContact OG-CD2 3.39Å; F470-K472 HydrophobicContact CB-CG 4.04Å; F470-K472 PolarHBondContact O-N 3.46Å; F470-I474 HydrophobicContact CD2-CD1 4.49Å
471	R	93.8	Very high	94.3	Very high	119 Å²	119	60 Å²	60	45%	0.449	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	45	55.2	-175.3	-65.4	-169.6	67	-157	-9	113.1	E436 D437 Y466 S467	E436-R471 PolarHBondContact O-NH2 2.94Å; D437-R471 VanDerWaalsContact CA-NH2 3.26Å; D437-R471 PolarHBondContact O-NE 3.43Å; D437-R471 PolarHBondContact O-NH2 2.89Å; D437-R471 IonicContact OD1-NH2 3.94Å; Y466-R471 VanDerWaalsContact OH-C 3.24Å; Y466-R471 VanDerWaalsContact OH-CA 3.22Å; Y466-R471 WeakPolarHBondContact OH-CA 3.47Å; S467-R471 WeakPolarHBondContact O-CA 3.38Å; S467-R471 PolarHBondContact O-N 3.49Å
472	K	94.6	Very high	93.9	Very high	111 Å²	111	60.3 Å²	60.3	48%	0.483	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	160.5	176.2	63.9	170.3	-170.5	163.2	0	112.2	Y466 S467 F470 I474	Y466-K472 VanDerWaalsContact CE2-C 3.45Å; S467-K472 PolarHBondContact N-O 3.11Å; F470-K472 HydrophobicContact CB-CG 4.04Å; F470-K472 PolarHBondContact O-N 3.46Å; K472-I474 HydrophobicContact CG-CD1 4.19Å
473	V	95.7	Very high	93.6	Very high	34 Å²	34	58 Å²	58	21%	0.206	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.7	160.3	-175.2	0	0	0	0	110.2	M441 Y466 R475 I476	M441-V473 HydrophobicContact SD-CG2 3.41Å; M441-V473 WeakPolarHBondContact SD-CG2 3.34Å; Y466-V473 HydrophobicContact CD2-CG2 4.12Å; V473-R475 WeakPolarHBondContact CG1-O 3.33Å; V473-I476 HydrophobicContact CG1-CD1 4.27Å; V473-I476 HydrophobicContact CG1-CG1 3.67Å
474	I	96	Very high	93.1	Very high	72 Å²	72	63.7 Å²	63.7	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-43.6	176.6	-57.7	-56.6	0	0	0	110.5	Y454 E465 F470 K472	Y454-I474 HydrophobicContact CD1-CG1 4.4Å; Y454-I474 HydrophobicContact CE1-CG1 4.13Å; E465-I474 HydrophobicContact CG-CB 4.34Å; E465-I474 WeakPolarHBondContact O-CB 3.38Å; E465-I474 PolarHBondContact O-N 3.41Å; F470-I474 HydrophobicContact CD2-CD1 4.49Å; K472-I474 HydrophobicContact CG-CD1 4.19Å
475	R	94.7	Very high	92.7	Very high	116 Å²	116	65.7 Å²	65.7	44%	0.438	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	146.2	-174.5	177.1	168.8	59.5	147.1	-3.8	109.9	E465 V473 M477	E465-R475 HydrophobicContact CB-CB 4.12Å; E465-R475 PolarHBondContact N-O 3.2Å; E465-R475 IonicContact OE2-CZ 3.22Å; E465-R475 IonicContact OE2-NE 3.75Å; E465-R475 PolarHBondContact OE2-NE 2.68Å; E465-R475 IonicContact OE2-NH2 2.73Å; E465-R475 PolarHBondContact OE2-NH2 3.22Å; V473-R475 WeakPolarHBondContact CG1-O 3.33Å; R475-M477 HydrophobicContact CG-CG 3.8Å; R475-M477 HydrophobicContact CG-SD 4.12Å; R475-M477 VanDerWaalsContact CZ-SD 3.56Å; R475-M477 PolarHBondContact NH1-SD 3.38Å
476	I	95.3	Very high	92.5	Very high	93 Å²	93	68.2 Å²	68.2	48%	0.477	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.4	174.1	-57.9	176.8	0	0	0	107.1	M462 Q463 Y464 V473	M462-I476 HydrophobicContact CE-CG2 3.45Å; M462-I476 VanDerWaalsContact CE-CG2 3.45Å; Q463-I476 WeakPolarHBondContact O-CA 3.36Å; Y464-I476 HydrophobicContact CD1-CD1 4.02Å; Y464-I476 HydrophobicContact CD1-CG1 3.88Å; Y464-I476 HydrophobicContact CD1-CG2 4.4Å; Y464-I476 HydrophobicContact CE1-CD1 4.02Å; Y464-I476 HydrophobicContact CE1-CG1 4.29Å; Y464-I476 HydrophobicContact CE1-CG2 4.32Å; V473-I476 HydrophobicContact CG1-CD1 4.27Å; V473-I476 HydrophobicContact CG1-CG1 3.67Å
477	M	95	Very high	92.4	Very high	43 Å²	43	71.7 Å²	71.7	21%	0.212	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	177.2	179.7	-55.7	-173.6	-63.1	0	0	110.4	M462 Q463 R475	M462-M477 WeakPolarHBondContact CE-O 3.46Å; Q463-M477 HydrophobicContact CG-CB 3.77Å; Q463-M477 HydrophobicContact CG-CE 4.33Å; Q463-M477 PolarHBondContact N-O 2.84Å; Q463-M477 PolarHBondContact O-N 2.85Å; Q463-M477 VanDerWaalsContact OE1-CE 3.28Å; R475-M477 HydrophobicContact CG-CG 3.8Å; R475-M477 HydrophobicContact CG-SD 4.12Å; R475-M477 VanDerWaalsContact CZ-SD 3.56Å; R475-M477 PolarHBondContact NH1-SD 3.38Å
478	R	95.3	Very high	92.2	Very high	86 Å²	86	75.3 Å²	75.3	33%	0.325	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.7	166.6	-70.5	-62.2	-141.7	175.9	21.7	110.6	P300 E301 N461 Q463 N480 S481	P300-R478 PolarHBondContact O-NE 3.42Å; P300-R478 PolarHBondContact O-NH2 2.98Å; E301-R478 IonicContact OE1-CZ 2.71Å; E301-R478 IonicContact OE1-NH2 3.63Å; E301-R478 PolarHBondContact OE1-NH2 3.23Å; N461-R478 PolarHBondContact ND2-NH1 2.69Å; N461-R478 CarbonylContact O-C 3.56Å; N461-R478 VanDerWaalsContact O-CA 3.31Å; N461-R478 WeakPolarHBondContact O-CA 3.49Å; N461-R478 WeakPolarHBondContact O-CD 3.19Å; N461-R478 PolarHBondContact OD1-NH1 2.82Å; Q463-R478 PolarHBondContact NE2-O 2.78Å; R478-N480 VanDerWaalsContact C-N 3.28Å; R478-N480 WeakPolarHBondContact CB-OD1 3.36Å; R478-N480 PolarHBondContact O-N 3.32Å; R478-S481 PolarHBondContact O-N 2.78Å; R478-S481 VanDerWaalsContact O-N 3.15Å; R478-S481 PolarHBondContact O-OG 3.15Å
479	T	94	Very high	92.3	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-56.9	-40.3	177.6	-68.8	0	0	0	0	112.2	L302 F304 F458 E460 N461 M462 S481 F482	L302-T479 WeakPolarHBondContact O-CB 3.43Å; L302-T479 WeakPolarHBondContact O-CG2 3.01Å; F304-T479 HydrophobicContact CB-CG2 4.47Å; F304-T479 HydrophobicContact CD1-CG2 3.61Å; F304-T479 HydrophobicContact CD2-CG2 3.48Å; F304-T479 VanDerWaalsContact CD2-CG2 3.48Å; F304-T479 HydrophobicContact CE1-CG2 3.56Å; F304-T479 HydrophobicContact CE2-CG2 3.45Å; F304-T479 VanDerWaalsContact CE2-CG2 3.45Å; F304-T479 HydrophobicContact CG-CG2 3.57Å; F304-T479 HydrophobicContact CZ-CG2 3.48Å; F304-T479 VanDerWaalsContact CZ-CG2 3.48Å; F304-T479 WeakPolarHBondContact CZ-O 3.13Å; F458-T479 HydrophobicContact CD1-CG2 3.84Å; F458-T479 HydrophobicContact CE1-CG2 4.38Å; E460-T479 PolarHBondContact O-OG1 3.43Å; N461-T479 PolarHBondContact O-N 2.92Å; N461-T479 PolarHBondContact O-OG1 3.48Å; M462-T479 PolarHBondContact N-OG1 2.97Å; M462-T479 PolarHBondContact O-OG1 2.62Å; T479-S481 PolarHBondContact O-N 3.26Å; T479-S481 VanDerWaalsContact O-N 3.14Å; T479-F482 WeakPolarHBondContact O-CB 3.45Å; T479-F482 PolarHBondContact O-N 3.17Å; T479-F482 VanDerWaalsContact O-N 3.14Å
480	N	92.6	Very high	92.4	Very high	18 Å²	18	67 Å²	67	10%	0.096	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-62.6	-17.7	177.9	66.5	3.7	0	0	0	115.3	K297 D299 L302 R478 F482 L483 C485	K297-N480 WeakPolarHBondContact O-CB 3.4Å; D299-N480 PolarHBondContact O-ND2 2.86Å; L302-N480 HydrophobicContact CB-CB 4.41Å; L302-N480 HydrophobicContact CD2-CB 4.22Å; R478-N480 VanDerWaalsContact C-N 3.28Å; R478-N480 WeakPolarHBondContact CB-OD1 3.36Å; R478-N480 PolarHBondContact O-N 3.32Å; N480-F482 PolarHBondContact O-N 2.92Å; N480-F482 VanDerWaalsContact O-N 3.12Å; N480-L483 WeakPolarHBondContact O-CA 3.33Å; N480-L483 WeakPolarHBondContact O-CB 3.49Å; N480-L483 PolarHBondContact O-N 3.11Å; N480-C485 HydrophobicContact CB-CB 4.24Å
481	S	90.5	Very high	92.3	Very high	35 Å²	35	63.3 Å²	63.3	25%	0.245	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-74.2	1.9	175.1	90.3	0	0	0	0	113.6	Q463 R478 T479 L483 C485	Q463-S481 PolarHBondContact NE2-OG 3.35Å; R478-S481 PolarHBondContact O-N 2.78Å; R478-S481 VanDerWaalsContact O-N 3.15Å; R478-S481 PolarHBondContact O-OG 3.15Å; T479-S481 PolarHBondContact O-N 3.26Å; T479-S481 VanDerWaalsContact O-N 3.14Å; S481-L483 VanDerWaalsContact C-N 3.35Å; S481-C485 VanDerWaalsContact CA-OXT 3.32Å; S481-C485 WeakPolarHBondContact CA-OXT 3.4Å; S481-C485 WeakPolarHBondContact CB-OXT 3.3Å
482	F	87.7	Confident	92.2	Very high	28 Å²	28	59.3 Å²	59.3	12%	0.123	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-83.7	-10.5	163.2	-131.9	-88	0	0	0	112.6	F304 T314 I316 L325 T449 H451 Y456 F458 T479 N480	F304-F482 HydrophobicContact CE2-CB 3.93Å; F304-F482 HydrophobicContact CZ-CB 4.16Å; T314-F482 HydrophobicContact CG2-CE1 4.26Å; I316-F482 HydrophobicContact CD1-CB 4.5Å; I316-F482 HydrophobicContact CD1-CD1 3.99Å; L325-F482 VanDerWaalsContact CD2-O 3.31Å; L325-F482 WeakPolarHBondContact CD2-O 3.12Å; T449-F482 HydrophobicContact CG2-CZ 4.4Å; H451-F482 HydrophobicContact CB-CZ 4.41Å; Y456-F482 AromaticContact CD1-CE2 3.75Å; Y456-F482 HydrophobicContact CD1-CE2 3.75Å; Y456-F482 HydrophobicContact CD2-CE2 4.27Å; Y456-F482 HydrophobicContact CD2-CZ 4.47Å; Y456-F482 HydrophobicContact CE1-CE2 4.2Å; Y456-F482 AromaticContact CG-CE2 3.78Å; Y456-F482 HydrophobicContact CG-CE2 3.78Å; Y456-F482 HydrophobicContact CG-CZ 4.36Å; F458-F482 HydrophobicContact CE1-CD2 4.04Å; F458-F482 HydrophobicContact CE1-CG 4.4Å; F458-F482 AromaticContact CZ-CD2 3.75Å; F458-F482 HydrophobicContact CZ-CD2 3.75Å; F458-F482 AromaticContact CZ-CE2 3.95Å; F458-F482 HydrophobicContact CZ-CE2 3.95Å; F458-F482 HydrophobicContact CZ-CG 4.18Å; T479-F482 WeakPolarHBondContact O-CB 3.45Å; T479-F482 PolarHBondContact O-N 3.17Å; T479-F482 VanDerWaalsContact O-N 3.14Å; N480-F482 PolarHBondContact O-N 2.92Å; N480-F482 VanDerWaalsContact O-N 3.12Å
483	L	88.8	Confident	92	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	25.4	-178.6	-70	164.6	0	0	0	112.6	K297 L302 F304 I316 W323 L325 P332 N480 S481 C485	K297-L483 HydrophobicContact CB-CB 4.2Å; K297-L483 HydrophobicContact CB-CD1 3.97Å; L302-L483 HydrophobicContact CD2-CD1 3.71Å; F304-L483 HydrophobicContact CE1-CD1 3.58Å; F304-L483 HydrophobicContact CE1-CG 4.4Å; F304-L483 HydrophobicContact CZ-CD1 3.74Å; F304-L483 HydrophobicContact CZ-CG 4.07Å; I316-L483 HydrophobicContact CD1-CD2 3.96Å; I316-L483 HydrophobicContact CD1-CG 4.23Å; W323-L483 HydrophobicContact CB-CD2 3.83Å; W323-L483 HydrophobicContact CD2-CD1 3.94Å; W323-L483 HydrophobicContact CD2-CD2 3.97Å; W323-L483 HydrophobicContact CE3-CD1 3.85Å; W323-L483 HydrophobicContact CE3-CD2 4.36Å; W323-L483 HydrophobicContact CG-CD2 3.75Å; W323-L483 HydrophobicContact CH2-CD1 4.15Å; W323-L483 HydrophobicContact CZ2-CD1 4.24Å; W323-L483 HydrophobicContact CZ3-CD1 3.96Å; L325-L483 HydrophobicContact CD1-CD2 3.96Å; L325-L483 HydrophobicContact CD2-CD2 4.41Å; P332-L483 HydrophobicContact CB-CD2 3.87Å; P332-L483 HydrophobicContact CG-CB 4.45Å; P332-L483 HydrophobicContact CG-CD2 3.58Å; N480-L483 WeakPolarHBondContact O-CA 3.33Å; N480-L483 WeakPolarHBondContact O-CB 3.49Å; N480-L483 PolarHBondContact O-N 3.11Å; S481-L483 VanDerWaalsContact C-N 3.35Å; L483-C485 VanDerWaalsContact C-N 3.34Å; L483-C485 PolarHBondContact O-N 2.94Å
484	N	84.3	Confident	91.7	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	30.1	-178.9	-60.6	-26.2	0	0	0	115.6	A330	A330-N484 PolarHBondContact O-ND2 3.19Å
485	C	86.6	Confident	91.3	Very high	73 Å²	73	55.7 Å²	55.7	49%	0.493	28%	0.278	S	S	.	.			trans	-102.9	0	171	-48.4	0	0	0	0	112.6	K297 C298 N480 S481 L483	K297-C485 VanDerWaalsContact C-SG 3.57Å; K297-C485 PolarHBondContact O-SG 2.89Å; C298-C485 WeakPolarHBondContact CA-SG 3.41Å; C298-C485 HydrophobicContact CB-CB 3.75Å; C298-C485 WeakPolarHBondContact CB-SG 3.24Å; C298-C485 WeakPolarHBondContact SG-CB 3.36Å; C298-C485 CovalentContact SG-SG 2.04Å; C298-C485 PolarHBondContact SG-SG 3.14Å; N480-C485 HydrophobicContact CB-CB 4.24Å; S481-C485 VanDerWaalsContact CA-OXT 3.32Å; S481-C485 WeakPolarHBondContact CA-OXT 3.4Å; S481-C485 WeakPolarHBondContact CB-OXT 3.3Å; L483-C485 VanDerWaalsContact C-N 3.34Å; L483-C485 PolarHBondContact O-N 2.94Å

Retrieved 485 of 485 residues in 633.3 ms (Link to these results)

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