A0A087XW53_POEFO Loading...

phosphoenolpyruvate carboxykinase (GTP)

AlphaFold DB , UniProt , Accession A0A087XW53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 635 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	30.7	Very low	243 Å²	243	157.1 Å²	157.1	100%	1.197	83%	0.833	S	S	*	*				0	132.5	0	-123.7	174	170.9	0	0	107.7
2	S	32	Very low	30.6	Very low	119 Å²	119	158.8 Å²	158.8	83%	0.832	83%	0.832	S	S	*	*			trans	87.5	89.7	166.4	-51.3	0	0	0	0	119.4
3	C	29.5	Very low	30.6	Very low	114 Å²	114	152.9 Å²	152.9	77%	0.77	83%	0.833	S	S	*	*			trans	-47.3	168.2	135.4	-51.5	0	0	0	0	111.5
4	L	35	Very low	30.3	Very low	136 Å²	136	147.4 Å²	147.4	71%	0.712	83%	0.829	S	S	*	*			cis	-175.8	145.6	31.1	-119	137.1	0	0	0	103.4	L6	L4-L6 HydrophobicContact CD2-CD1 4.38Å
5	L	31.8	Very low	30.3	Very low	148 Å²	148	146.8 Å²	146.8	78%	0.775	83%	0.83	S	S	*	*				176.3	125.6	83.4	-105.7	126.8	0	0	0	111.4
6	L	31.5	Very low	30.2	Very low	145 Å²	145	142.2 Å²	142.2	76%	0.759	83%	0.825	S	S	*	*			trans	29.2	126.6	135.7	-75.6	126.4	0	0	0	123.4	L4	L4-L6 HydrophobicContact CD2-CD1 4.38Å
7	G	28	Very low	30.1	Very low	82 Å²	82	139 Å²	139	85%	0.845	82%	0.819	S	S	*	*			trans	-168.6	99.3	149.4	0	0	0	0	0	111.4
8	V	30.9	Very low	30	Very low	123 Å²	123	137.3 Å²	137.3	75%	0.745	82%	0.816	S	S	*	*			trans	-96.1	136.4	175.8	-162.8	0	0	0	0	106.4
9	I	29.6	Very low	30	Very low	140 Å²	140	137.8 Å²	137.8	72%	0.718	82%	0.82	S	S	*	*				177.2	132.1	83.4	-78.9	173.3	0	0	0	109.9
10	R	28.1	Very low	30	Very low	223 Å²	223	134 Å²	134	84%	0.842	81%	0.81	S	S	*	*			trans	46	123	151.5	-70.4	172.9	169.5	-177.7	-3.4	121.5
11	R	28.4	Very low	30.2	Very low	255 Å²	255	133.9 Å²	133.9	96%	0.962	81%	0.81	S	S	*	*				-148.3	133.5	116.5	-106.6	177.4	-171.7	-158	1.6	111.3
12	Q	29.5	Very low	30.1	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	79%	0.791	S	S	*	*			trans	-67.2	140.8	-171.5	-72.7	164.2	-44.1	0	0	112.4
13	G	31.4	Very low	30.1	Very low	82 Å²	82	130.6 Å²	130.6	85%	0.845	78%	0.779	S	S	*	*			trans	-65.4	128.7	159.8	0	0	0	0	0	110.2
14	G	25.9	Very low	30.7	Very low	75 Å²	75	132.3 Å²	132.3	77%	0.773	78%	0.779	S	S	*	*			trans	-116.5	108	170.4	0	0	0	0	0	108.4	G16	G14-G16 PolarHBondContact O-N 2.71Å
15	V	30.5	Very low	30.7	Very low	139 Å²	139	130.2 Å²	130.2	84%	0.842	78%	0.781	S	S	*	*			trans	-55.1	118.6	170.5	174.9	0	0	0	0	108.5	A17	V15-A17 PolarHBondContact O-N 3.4Å
16	G	28.8	Very low	31	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	77%	0.767	S	S	*	*			trans	-66.5	99.5	166.8	0	0	0	0	0	108.8	G14 S18	G14-G16 PolarHBondContact O-N 2.71Å; G16-S18 PolarHBondContact O-N 2.68Å
17	A	28.2	Very low	31.8	Very low	88 Å²	88	122.7 Å²	122.7	73%	0.727	75%	0.747	S	S	*	*			trans	-71.8	96.4	168	0	0	0	0	0	108.1	V15 V19	V15-A17 PolarHBondContact O-N 3.4Å; A17-V19 PolarHBondContact O-N 3.28Å; A17-V19 VanDerWaalsContact O-N 3.17Å
18	S	28	Very low	33.1	Very low	108 Å²	108	123 Å²	123	76%	0.755	73%	0.734	S	S	*	*			trans	-53.8	115.1	157.1	53.2	0	0	0	0	108	G16 G20	G16-S18 PolarHBondContact O-N 2.68Å; S18-G20 VanDerWaalsContact C-N 3.35Å; S18-G20 PolarHBondContact O-N 3.47Å
19	V	30.5	Very low	35.2	Very low	148 Å²	148	121.8 Å²	121.8	90%	0.897	73%	0.731	S	S	*	*			trans	-63.8	101.7	169.9	178.2	0	0	0	0	106.5	A17 V21	A17-V19 PolarHBondContact O-N 3.28Å; A17-V19 VanDerWaalsContact O-N 3.17Å; V19-V21 PolarHBondContact O-N 2.98Å
20	G	29.4	Very low	38.1	Very low	60 Å²	60	116.3 Å²	116.3	62%	0.619	70%	0.704	S	S	*	*			trans	-64	126.8	-173.3	0	0	0	0	0	111.6	S18 R22	S18-G20 VanDerWaalsContact C-N 3.35Å; S18-G20 PolarHBondContact O-N 3.47Å; G20-R22 PolarHBondContact O-N 3.42Å
21	V	34.6	Very low	41.2	Very low	133 Å²	133	105.9 Å²	105.9	81%	0.806	67%	0.665	S	S	*	*			trans	-46	118.6	158.7	175.3	0	0	0	0	108.9	V19 S23	V19-V21 PolarHBondContact O-N 2.98Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 2.67Å
22	R	30.6	Very low	44.3	Very low	210 Å²	210	98.7 Å²	98.7	79%	0.792	65%	0.651	S	S	*	*			trans	-69.6	93.2	164.8	-81.3	-172.3	177.9	-173.8	-0.6	108	G20	G20-R22 PolarHBondContact O-N 3.42Å
23	S	32.2	Very low	47.4	Very low	83 Å²	83	92.5 Å²	92.5	58%	0.58	63%	0.63	S	S	*	*			trans	-49.3	150.1	159.2	168.5	0	0	0	0	109.9	V21 A25	V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 2.67Å; S23-A25 PolarHBondContact O-N 3.14Å
24	L	42	Very low	50.6	Low	150 Å²	150	88.7 Å²	88.7	79%	0.785	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-49.7	1.7	176	-85	146.8	0	0	0	116	I27	L24-I27 HydrophobicContact CD2-CD1 4.33Å
25	A	34.6	Very low	53.9	Low	91 Å²	91	86.8 Å²	86.8	75%	0.752	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-90.6	8.8	-175.8	0	0	0	0	0	115.6	S23	S23-A25 PolarHBondContact O-N 3.14Å
26	S	37.5	Very low	57.1	Low	68 Å²	68	85.5 Å²	85.5	48%	0.476	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-133.4	33.8	175.9	83	0	0	0	0	114.6	P28	S26-P28 WeakPolarHBondContact O-CD 3.43Å
27	I	48.8	Very low	60.4	Low	68 Å²	68	83.3 Å²	83.3	35%	0.349	53%	0.526	S	S	.	.			trans	-78.8	119.5	166.5	-54.1	178.7	0	0	0	106.5	L24 S29 L30 V52	L24-I27 HydrophobicContact CD2-CD1 4.33Å; I27-S29 PolarHBondContact O-N 3.2Å; I27-S29 VanDerWaalsContact O-N 3.09Å; I27-L30 HydrophobicContact CG2-CG 4.11Å; I27-V52 HydrophobicContact CG2-CG2 4.1Å
28	P	55.2	Low	63.7	Low	88 Å²	88	79.5 Å²	79.5	57%	0.571	49%	0.493	S	S	*	.			trans	-53.5	120.8	163.5	-15.7	27.7	0	0	0	106.5	S26 L30	S26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-L30 PolarHBondContact O-N 3.28Å
29	S	75.4	Confident	67	Low	97 Å²	97	80.8 Å²	80.8	68%	0.678	49%	0.485	S	S	*	.			trans	-49	103.3	-168	53.5	0	0	0	0	110.8	I27 Y193	I27-S29 PolarHBondContact O-N 3.2Å; I27-S29 VanDerWaalsContact O-N 3.09Å; S29-Y193 VanDerWaalsContact C-OH 3.3Å; S29-Y193 WeakPolarHBondContact O-CE1 3.45Å; S29-Y193 PolarHBondContact O-OH 3.39Å
30	L	91.1	Very high	70.3	Confident	26 Å²	26	75.5 Å²	75.5	14%	0.136	46%	0.461	C	S	.	.			trans	-53.8	148	-175.5	-72.9	171.7	0	0	0	110.4	I27 P28 V34 A35 V38 V52 L189	I27-L30 HydrophobicContact CG2-CG 4.11Å; P28-L30 PolarHBondContact O-N 3.28Å; L30-V34 HydrophobicContact CB-CG1 4.43Å; L30-V34 HydrophobicContact CD1-CG1 4.38Å; L30-V34 HydrophobicContact CD2-CG1 4.16Å; L30-A35 HydrophobicContact CB-CB 3.94Å; L30-V38 HydrophobicContact CD1-CB 4.38Å; L30-V38 HydrophobicContact CD1-CG2 4.18Å; L30-V52 HydrophobicContact CD1-CG2 4.31Å; L30-V52 HydrophobicContact CD2-CG1 4.03Å; L30-V52 HydrophobicContact CD2-CG2 4.08Å; L30-V52 HydrophobicContact CG-CG2 4.46Å; L30-L189 HydrophobicContact CD2-CD2 4.21Å
31	P	92.8	Very high	73.5	Confident	4 Å²	4	72.7 Å²	72.7	3%	0.026	43%	0.432	C	S	.	.			trans	-51.3	139.6	171.9	-21	28.4	0	0	0	109.9	A33 V34 A35 L192 Y193	P31-A33 VanDerWaalsContact C-N 3.34Å; P31-A33 PolarHBondContact O-N 3.19Å; P31-A33 VanDerWaalsContact O-N 3.16Å; P31-V34 HydrophobicContact CB-CB 4.31Å; P31-V34 HydrophobicContact CB-CG2 3.99Å; P31-V34 HydrophobicContact CG-CB 4.41Å; P31-V34 HydrophobicContact CG-CG2 4.03Å; P31-V34 CarbonylContact O-C 3.59Å; P31-V34 WeakPolarHBondContact O-CA 3.4Å; P31-V34 WeakPolarHBondContact O-CB 3.47Å; P31-V34 PolarHBondContact O-N 3.21Å; P31-A35 PolarHBondContact O-N 2.91Å; P31-L192 HydrophobicContact CB-CB 4.42Å; P31-L192 HydrophobicContact CG-CB 3.83Å; P31-Y193 HydrophobicContact CB-CD1 4.06Å; P31-Y193 HydrophobicContact CB-CE1 4.29Å; P31-Y193 HydrophobicContact CG-CD1 3.67Å; P31-Y193 HydrophobicContact CG-CD2 4.17Å; P31-Y193 HydrophobicContact CG-CE1 3.74Å; P31-Y193 HydrophobicContact CG-CE2 4.24Å; P31-Y193 HydrophobicContact CG-CG 3.87Å
32	P	93.2	Very high	76.6	Confident	103 Å²	103	68.3 Å²	68.3	67%	0.669	41%	0.405	S	S	*	.	H	α-helix	trans	-50.4	-47.8	-169.5	-31.1	35.6	0	0	0	114.3	V34 A35 D36	P32-V34 VanDerWaalsContact C-N 3.29Å; P32-V34 PolarHBondContact O-N 2.64Å; P32-A35 WeakPolarHBondContact O-CB 3.39Å; P32-A35 PolarHBondContact O-N 3.43Å; P32-A35 VanDerWaalsContact O-N 3.16Å; P32-D36 PolarHBondContact O-N 3.26Å
33	A	95.2	Very high	79.8	Confident	49 Å²	49	62.5 Å²	62.5	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-31.5	178.7	0	0	0	0	0	113.6	P31 F37 F198	P31-A33 VanDerWaalsContact C-N 3.34Å; P31-A33 PolarHBondContact O-N 3.19Å; P31-A33 VanDerWaalsContact O-N 3.16Å; A33-F37 PolarHBondContact O-N 3.42Å; A33-F198 HydrophobicContact CB-CE1 3.89Å; A33-F198 HydrophobicContact CB-CZ 4.48Å
34	V	97.1	Very high	83	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-73.1	-43.6	174.1	-179.4	0	0	0	0	110	L30 P31 P32 D36 F37 V38 V166 L192 F198	L30-V34 HydrophobicContact CB-CG1 4.43Å; L30-V34 HydrophobicContact CD1-CG1 4.38Å; L30-V34 HydrophobicContact CD2-CG1 4.16Å; P31-V34 HydrophobicContact CB-CB 4.31Å; P31-V34 HydrophobicContact CB-CG2 3.99Å; P31-V34 HydrophobicContact CG-CB 4.41Å; P31-V34 HydrophobicContact CG-CG2 4.03Å; P31-V34 CarbonylContact O-C 3.59Å; P31-V34 WeakPolarHBondContact O-CA 3.4Å; P31-V34 WeakPolarHBondContact O-CB 3.47Å; P31-V34 PolarHBondContact O-N 3.21Å; P32-V34 VanDerWaalsContact C-N 3.29Å; P32-V34 PolarHBondContact O-N 2.64Å; V34-D36 VanDerWaalsContact C-N 3.32Å; V34-D36 PolarHBondContact O-N 2.76Å; V34-F37 PolarHBondContact O-N 3.49Å; V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 3.46Å; V34-V166 HydrophobicContact CG1-CG1 4.18Å; V34-V166 HydrophobicContact CG1-CG2 4.15Å; V34-V166 HydrophobicContact CG2-CG2 4.13Å; V34-L192 HydrophobicContact CG2-CB 4.27Å; V34-L192 HydrophobicContact CG2-CD1 3.89Å; V34-F198 HydrophobicContact CG2-CD1 4.33Å; V34-F198 HydrophobicContact CG2-CE1 3.83Å; V34-F198 HydrophobicContact CG2-CZ 3.99Å
35	A	96.3	Very high	85.7	Confident	34 Å²	34	53.2 Å²	53.2	28%	0.281	33%	0.333	S	S	.	.	H	α-helix	trans	-59	-43.9	176.5	0	0	0	0	0	111.3	L30 P31 P32 V38 K39	L30-A35 HydrophobicContact CB-CB 3.94Å; P31-A35 PolarHBondContact O-N 2.91Å; P32-A35 WeakPolarHBondContact O-CB 3.39Å; P32-A35 PolarHBondContact O-N 3.43Å; P32-A35 VanDerWaalsContact O-N 3.16Å; A35-V38 PolarHBondContact O-N 3.1Å; A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.09Å
36	D	96.8	Very high	88.8	Confident	113 Å²	113	54.5 Å²	54.5	60%	0.604	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-44.6	177.7	-71.7	-23.5	0	0	0	112	P32 V34 K39 G40	P32-D36 PolarHBondContact O-N 3.26Å; V34-D36 VanDerWaalsContact C-N 3.32Å; V34-D36 PolarHBondContact O-N 2.76Å; D36-K39 PolarHBondContact O-N 2.9Å; D36-G40 PolarHBondContact O-N 3.38Å
37	F	98.1	Very high	91.7	Very high	26 Å²	26	52.1 Å²	52.1	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-48.1	175.4	169.1	-121.1	0	0	0	111.8	A33 V34 G40 A41 V166 V168 F198 R200 Q202	A33-F37 PolarHBondContact O-N 3.42Å; V34-F37 PolarHBondContact O-N 3.49Å; F37-G40 PolarHBondContact O-N 3.34Å; F37-A41 PolarHBondContact O-N 2.91Å; F37-V166 HydrophobicContact CD1-CB 4.3Å; F37-V166 HydrophobicContact CD1-CG1 4.08Å; F37-V166 HydrophobicContact CE1-CB 4.24Å; F37-V166 HydrophobicContact CE1-CG1 4.02Å; F37-V166 WeakPolarHBondContact CE1-O 3.28Å; F37-V168 HydrophobicContact CE1-CG1 3.94Å; F37-V168 HydrophobicContact CE1-CG2 4.49Å; F37-V168 HydrophobicContact CZ-CG1 4.36Å; F37-V168 HydrophobicContact CZ-CG2 4.1Å; F37-F198 HydrophobicContact CB-CE2 4.42Å; F37-F198 HydrophobicContact CB-CZ 4.3Å; F37-F198 HydrophobicContact CD1-CE2 4.1Å; F37-F198 HydrophobicContact CG-CE2 4.4Å; F37-R200 HydrophobicContact CD1-CG 4.39Å; F37-R200 HydrophobicContact CD2-CB 3.99Å; F37-R200 HydrophobicContact CD2-CG 3.86Å; F37-R200 HydrophobicContact CE1-CB 4.44Å; F37-R200 HydrophobicContact CE2-CB 3.76Å; F37-R200 HydrophobicContact CE2-CG 4.17Å; F37-R200 HydrophobicContact CG-CB 4.44Å; F37-R200 HydrophobicContact CG-CG 3.99Å; F37-R200 HydrophobicContact CZ-CB 4Å; F37-Q202 HydrophobicContact CZ-CB 4.45Å
38	V	98.4	Very high	94	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-43.1	179.4	172.5	0	0	0	0	110.7	L30 V34 A35 G40 A41 V42 V50 V149 V168	L30-V38 HydrophobicContact CD1-CB 4.38Å; L30-V38 HydrophobicContact CD1-CG2 4.18Å; V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.44Å; V34-V38 VanDerWaalsContact O-CG2 3.27Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 3.46Å; A35-V38 PolarHBondContact O-N 3.1Å; V38-G40 PolarHBondContact O-N 3.02Å; V38-A41 PolarHBondContact O-N 3.19Å; V38-V42 HydrophobicContact CG1-CG2 4.22Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 2.72Å; V38-V50 HydrophobicContact CG1-CG1 4.25Å; V38-V149 HydrophobicContact CG1-CG2 3.89Å; V38-V149 HydrophobicContact CG2-CB 4.44Å; V38-V149 HydrophobicContact CG2-CG1 3.68Å; V38-V149 HydrophobicContact CG2-CG2 3.84Å; V38-V168 HydrophobicContact CG2-CG1 4.25Å
39	K	97.9	Very high	96	Very high	135 Å²	135	52 Å²	52	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-59.4	-47.2	177	-177.6	-179.5	176	-175.1	0	111.3	A35 D36 A41 V42 D43	A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.09Å; D36-K39 PolarHBondContact O-N 2.9Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 3.38Å; K39-V42 PolarHBondContact O-N 3.41Å; K39-D43 WeakPolarHBondContact O-CB 3.43Å; K39-D43 PolarHBondContact O-N 2.97Å
40	G	98.2	Very high	97.1	Very high	37 Å²	37	49.8 Å²	49.8	38%	0.381	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-42.4	175.4	0	0	0	0	0	112.7	D36 F37 V38 D43 E44	D36-G40 PolarHBondContact O-N 3.38Å; F37-G40 PolarHBondContact O-N 3.34Å; V38-G40 PolarHBondContact O-N 3.02Å; G40-D43 PolarHBondContact O-N 2.87Å; G40-E44 WeakPolarHBondContact O-CB 3.36Å; G40-E44 PolarHBondContact O-N 3.38Å
41	A	98.4	Very high	97.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-39.7	175.9	0	0	0	0	0	112.5	F37 V38 K39 E44 C45 M147 V168	F37-A41 PolarHBondContact O-N 2.91Å; V38-A41 PolarHBondContact O-N 3.19Å; K39-A41 VanDerWaalsContact C-N 3.31Å; K39-A41 PolarHBondContact O-N 3.38Å; A41-E44 PolarHBondContact O-N 3.21Å; A41-C45 WeakPolarHBondContact O-CB 3.19Å; A41-C45 PolarHBondContact O-N 2.91Å; A41-C45 PolarHBondContact O-SG 3.12Å; A41-C45 VanDerWaalsContact O-SG 3.41Å; A41-M147 HydrophobicContact CB-CE 3.9Å; A41-M147 HydrophobicContact CB-SD 4.18Å; A41-V168 HydrophobicContact CB-CG2 3.95Å
42	V	98.8	Very high	97.6	Very high	41 Å²	41	52.4 Å²	52.4	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-44.8	176	168.7	0	0	0	0	110.6	V38 K39 E44 K46 P47 V50 M147	V38-V42 HydrophobicContact CG1-CG2 4.22Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 2.72Å; K39-V42 PolarHBondContact O-N 3.41Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.41Å; V42-K46 WeakPolarHBondContact O-CA 3.26Å; V42-K46 PolarHBondContact O-N 3.16Å; V42-P47 HydrophobicContact CB-CG 4.45Å; V42-P47 HydrophobicContact CG1-CG 4.28Å; V42-P47 HydrophobicContact CG2-CG 4.09Å; V42-P47 WeakPolarHBondContact O-CD 3.27Å; V42-V50 HydrophobicContact CG2-CG2 3.57Å; V42-M147 HydrophobicContact CG2-CE 4.38Å; V42-M147 HydrophobicContact CG2-SD 3.84Å
43	D	98.5	Very high	97.8	Very high	88 Å²	88	47.5 Å²	47.5	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-35.5	179	-75.2	-25.3	0	0	0	112.1	K39 G40 K46	K39-D43 WeakPolarHBondContact O-CB 3.43Å; K39-D43 PolarHBondContact O-N 2.97Å; G40-D43 PolarHBondContact O-N 2.87Å; D43-K46 WeakPolarHBondContact O-CD 3.22Å; D43-K46 WeakPolarHBondContact O-CE 3.42Å; D43-K46 PolarHBondContact O-NZ 3.33Å
44	E	98.6	Very high	97.7	Very high	37 Å²	37	47.5 Å²	47.5	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-78.7	-53.2	176.6	-173.3	176.2	-146.6	0	0	112.1	G40 A41 V42 R134 F138 P139 G140 Q202	G40-E44 WeakPolarHBondContact O-CB 3.36Å; G40-E44 PolarHBondContact O-N 3.38Å; A41-E44 PolarHBondContact O-N 3.21Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.41Å; E44-R134 IonicContact OE1-CZ 3.48Å; E44-R134 IonicContact OE1-NE 2.81Å; E44-R134 PolarHBondContact OE1-NE 3.27Å; E44-R134 IonicContact OE1-NH2 3.57Å; E44-R134 IonicContact OE2-CZ 3.84Å; E44-R134 IonicContact OE2-NE 3.79Å; E44-R134 PolarHBondContact OE2-NE 3.18Å; E44-R134 IonicContact OE2-NH2 2.68Å; E44-R134 PolarHBondContact OE2-NH2 3.43Å; E44-F138 HydrophobicContact CG-CB 3.9Å; E44-P139 CarbonylContact O-C 3.5Å; E44-P139 WeakPolarHBondContact O-CA 3.36Å; E44-G140 PolarHBondContact O-N 2.8Å; E44-Q202 PolarHBondContact OE2-NE2 3.17Å
45	C	98.8	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-83.3	-18.3	-168.1	-64.4	0	0	0	0	114.1	A41 G140 C141 M142 M147	A41-C45 WeakPolarHBondContact O-CB 3.19Å; A41-C45 PolarHBondContact O-N 2.91Å; A41-C45 PolarHBondContact O-SG 3.12Å; A41-C45 VanDerWaalsContact O-SG 3.41Å; C45-G140 CarbonylContact O-C 3.21Å; C45-G140 VanDerWaalsContact O-CA 3.31Å; C45-G140 WeakPolarHBondContact O-CA 3.36Å; C45-C141 PolarHBondContact O-N 2.81Å; C45-M142 HydrophobicContact CB-CB 4.01Å; C45-M142 HydrophobicContact CB-CE 4.45Å; C45-M142 HydrophobicContact CB-CG 3.73Å; C45-M142 HydrophobicContact CB-SD 3.8Å; C45-M142 WeakPolarHBondContact O-CA 3.49Å; C45-M142 WeakPolarHBondContact O-CB 3.42Å; C45-M142 PolarHBondContact O-N 2.78Å; C45-M147 HydrophobicContact CB-CE 3.81Å
46	K	98.6	Very high	97.4	Very high	118 Å²	118	49.6 Å²	49.6	51%	0.513	28%	0.282	S	S	.	.			trans	51.3	52.4	-178.6	-51.1	-56.5	-168.2	-166.5	0	114.7	V42 D43 A143	V42-K46 WeakPolarHBondContact O-CA 3.26Å; V42-K46 PolarHBondContact O-N 3.16Å; D43-K46 WeakPolarHBondContact O-CD 3.22Å; D43-K46 WeakPolarHBondContact O-CE 3.42Å; D43-K46 PolarHBondContact O-NZ 3.33Å; K46-A143 VanDerWaalsContact O-CA 3.32Å; K46-A143 WeakPolarHBondContact O-CA 3.19Å
47	P	98.6	Very high	97.2	Very high	19 Å²	19	49 Å²	49	12%	0.123	28%	0.284	C	S	.	.			trans	-65	154.8	174.6	33.2	-37.6	0	0	0	111.8	V42 V50 M142 R145 M147	V42-P47 HydrophobicContact CB-CG 4.45Å; V42-P47 HydrophobicContact CG1-CG 4.28Å; V42-P47 HydrophobicContact CG2-CG 4.09Å; V42-P47 WeakPolarHBondContact O-CD 3.27Å; P47-V50 HydrophobicContact CG-CG2 4.27Å; P47-M142 WeakPolarHBondContact CA-O 3.33Å; P47-M142 HydrophobicContact CB-CB 4.03Å; P47-R145 CarbonylContact C-O 3.46Å; P47-R145 WeakPolarHBondContact CB-O 3.42Å; P47-M147 HydrophobicContact CB-CB 3.65Å; P47-M147 HydrophobicContact CG-CB 3.77Å; P47-M147 HydrophobicContact CG-CE 3.93Å; P47-M147 HydrophobicContact CG-SD 4.37Å
48	A	98.4	Very high	97.1	Very high	60 Å²	60	53.5 Å²	53.5	50%	0.496	31%	0.305	S	S	.	.	S	Bend	trans	-76.2	-34.3	174.4	0	0	0	0	0	112.4	R145	A48-R145 PolarHBondContact N-O 3.19Å
49	N	97.8	Very high	97	Very high	94 Å²	94	54 Å²	54	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.8	179.3	-59.6	-65.9	0	0	0	110.2	T146 M147	N49-T146 HydrophobicContact CB-CG2 4.21Å; N49-T146 WeakPolarHBondContact O-CA 3.34Å; N49-M147 PolarHBondContact O-N 3.28Å
50	V	98.1	Very high	96.8	Very high	49 Å²	49	49.8 Å²	49.8	30%	0.297	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.4	171.2	-178.3	0	0	0	0	108.7	V38 V42 P47 M147 V149	V38-V50 HydrophobicContact CG1-CG1 4.25Å; V42-V50 HydrophobicContact CG2-CG2 3.57Å; P47-V50 HydrophobicContact CG-CG2 4.27Å; V50-M147 CarbonylContact C-O 3.53Å; V50-M147 WeakPolarHBondContact CA-O 3.43Å; V50-V149 HydrophobicContact CG1-CG2 3.82Å
51	H	97.3	Very high	96.7	Very high	62 Å²	62	50.6 Å²	50.6	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.1	-179	-176.9	85.8	0	0	0	110.3	E59 T146 M147 Y148 V149	H51-E59 IonicContact CD2-OE1 2.77Å; H51-E59 IonicContact CE1-OE1 3.22Å; H51-E59 PolarHBondContact CE1-OE1 2.93Å; H51-E59 IonicContact NE2-OE1 3.18Å; H51-E59 PolarHBondContact NE2-OE1 2.94Å; H51-T146 HydrophobicContact CB-CG2 3.75Å; H51-M147 PolarHBondContact N-O 3.49Å; H51-Y148 HydrophobicContact CB-CD1 3.92Å; H51-Y148 HydrophobicContact CB-CE1 4.23Å; H51-Y148 AromaticContact CD2-CD1 3.68Å; H51-Y148 CarbonylContact O-C 3.59Å; H51-Y148 VanDerWaalsContact O-CA 3.3Å; H51-Y148 WeakPolarHBondContact O-CA 3.43Å; H51-V149 PolarHBondContact O-N 3.38Å
52	V	97	Very high	96.6	Very high	23 Å²	23	56 Å²	56	14%	0.139	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.6	175.2	-177.5	0	0	0	0	108.9	I27 L30 V149 L189	I27-V52 HydrophobicContact CG2-CG2 4.1Å; L30-V52 HydrophobicContact CD1-CG2 4.31Å; L30-V52 HydrophobicContact CD2-CG1 4.03Å; L30-V52 HydrophobicContact CD2-CG2 4.08Å; L30-V52 HydrophobicContact CG-CG2 4.46Å; V52-V149 HydrophobicContact CG2-CB 4.28Å; V52-V149 HydrophobicContact CG2-CG2 4.4Å; V52-L189 HydrophobicContact CG1-CD1 4.12Å
53	V	96.4	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.315	C	S	.	.			trans	-76.4	127.3	-176.8	-178.6	0	0	0	0	109.4	E59 Y148 V149 I150 V175 M184	V53-E59 WeakPolarHBondContact CG1-OE2 3.36Å; V53-Y148 HydrophobicContact CG2-CD1 4.29Å; V53-V149 WeakPolarHBondContact CB-O 3.41Å; V53-V149 WeakPolarHBondContact CG2-O 3.38Å; V53-V149 PolarHBondContact N-O 3.16Å; V53-I150 HydrophobicContact CG2-CG1 4.1Å; V53-V175 HydrophobicContact CG1-CG1 4.01Å; V53-V175 HydrophobicContact CG2-CG1 3.79Å; V53-M184 HydrophobicContact CG1-CE 3.55Å; V53-M184 HydrophobicContact CG1-CG 4.11Å; V53-M184 HydrophobicContact CG1-SD 3.67Å
54	T	93.7	Very high	96.5	Very high	49 Å²	49	50.7 Å²	50.7	30%	0.301	30%	0.295	S	S	.	.			trans	-99.3	-17.4	-178.5	57.7	0	0	0	0	112.9	E59 G185 S186	T54-E59 WeakPolarHBondContact CA-OE2 3.33Å; T54-E59 PolarHBondContact N-OE1 3.28Å; T54-E59 PolarHBondContact N-OE2 2.71Å; T54-E59 PolarHBondContact OG1-OE1 3.44Å; T54-E59 PolarHBondContact OG1-OE2 3.49Å; T54-E59 VanDerWaalsContact OG1-OE2 3.05Å; T54-G185 VanDerWaalsContact O-CA 3.27Å; T54-G185 WeakPolarHBondContact O-CA 3.14Å; T54-S186 PolarHBondContact O-N 2.87Å; T54-S186 PolarHBondContact O-OG 3.01Å
55	G	92.8	Very high	96.4	Very high	29 Å²	29	51.3 Å²	51.3	30%	0.299	31%	0.306	S	S	.	.			trans	81.4	13.9	175.8	0	0	0	0	0	114.3	E59	G55-E59 PolarHBondContact N-OE2 3.41Å
56	T	94.4	Very high	96.3	Very high	51 Å²	51	54.2 Å²	54.2	31%	0.313	32%	0.32	S	S	.	.			trans	-73.9	153.4	-179.3	83.9	0	0	0	0	111.9	E58 E59 T60	T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 WeakPolarHBondContact CB-OE2 3.29Å; T56-E58 PolarHBondContact O-N 2.98Å; T56-E58 PolarHBondContact OG1-OE2 2.94Å; T56-E59 PolarHBondContact O-N 3.45Å; T56-E59 PolarHBondContact OG1-N 3.13Å; T56-T60 PolarHBondContact O-N 2.87Å; T56-T60 PolarHBondContact O-OG1 3.01Å; T56-T60 VanDerWaalsContact O-OG1 3.13Å
57	P	92.9	Very high	96.3	Very high	100 Å²	100	48.7 Å²	48.7	65%	0.649	30%	0.296	S	S	*	.	H	α-helix	trans	-56.4	-38.2	174.4	-26.7	36.4	0	0	0	113.2	T60 A61	P57-T60 PolarHBondContact O-N 2.97Å; P57-A61 WeakPolarHBondContact O-CB 3.45Å; P57-A61 PolarHBondContact O-N 2.86Å
58	E	95.1	Very high	96.2	Very high	121 Å²	121	51.6 Å²	51.6	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-66.5	-42.2	179	-55.5	73.9	-159.4	0	0	111.5	T56 T60 A61 N62	T56-E58 VanDerWaalsContact C-N 3.25Å; T56-E58 WeakPolarHBondContact CB-OE2 3.29Å; T56-E58 PolarHBondContact O-N 2.98Å; T56-E58 PolarHBondContact OG1-OE2 2.94Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 3.32Å; E58-A61 PolarHBondContact O-N 3.06Å; E58-N62 WeakPolarHBondContact O-CB 3.18Å; E58-N62 PolarHBondContact O-N 3.3Å; E58-N62 PolarHBondContact O-ND2 3.48Å
59	E	95.7	Very high	96.2	Very high	20 Å²	20	57.2 Å²	57.2	9%	0.093	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174.9	-178.9	176.2	-121.1	0	0	111	H51 V53 T54 G55 T56 N62 I63	H51-E59 IonicContact CD2-OE1 2.77Å; H51-E59 IonicContact CE1-OE1 3.22Å; H51-E59 PolarHBondContact CE1-OE1 2.93Å; H51-E59 IonicContact NE2-OE1 3.18Å; H51-E59 PolarHBondContact NE2-OE1 2.94Å; V53-E59 WeakPolarHBondContact CG1-OE2 3.36Å; T54-E59 WeakPolarHBondContact CA-OE2 3.33Å; T54-E59 PolarHBondContact N-OE1 3.28Å; T54-E59 PolarHBondContact N-OE2 2.71Å; T54-E59 PolarHBondContact OG1-OE1 3.44Å; T54-E59 PolarHBondContact OG1-OE2 3.49Å; T54-E59 VanDerWaalsContact OG1-OE2 3.05Å; G55-E59 PolarHBondContact N-OE2 3.41Å; T56-E59 PolarHBondContact O-N 3.45Å; T56-E59 PolarHBondContact OG1-N 3.13Å; E59-N62 PolarHBondContact O-N 3.34Å; E59-I63 HydrophobicContact CG-CD1 4.05Å; E59-I63 WeakPolarHBondContact O-CG1 3.29Å; E59-I63 PolarHBondContact O-N 3.12Å
60	T	94.9	Very high	96.1	Very high	46 Å²	46	57 Å²	57	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.9	-57.9	0	0	0	0	111.6	T56 P57 E58 N62 I63 L64	T56-T60 PolarHBondContact O-N 2.87Å; T56-T60 PolarHBondContact O-OG1 3.01Å; T56-T60 VanDerWaalsContact O-OG1 3.13Å; P57-T60 PolarHBondContact O-N 2.97Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 3.32Å; T60-N62 VanDerWaalsContact C-N 3.35Å; T60-N62 PolarHBondContact O-N 3.24Å; T60-I63 PolarHBondContact O-N 3.25Å; T60-L64 HydrophobicContact CG2-CD1 4.06Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 3.09Å
61	A	95.7	Very high	96	Very high	55 Å²	55	56.8 Å²	56.8	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-41.1	177.4	0	0	0	0	0	112.2	P57 E58 L64 A65	P57-A61 WeakPolarHBondContact O-CB 3.45Å; P57-A61 PolarHBondContact O-N 2.86Å; E58-A61 PolarHBondContact O-N 3.06Å; A61-L64 PolarHBondContact O-N 3.14Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.27Å
62	N	96.8	Very high	96	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-42.3	177.1	-70.9	-27.4	0	0	0	112.1	E58 E59 T60 A65 E66	E58-N62 WeakPolarHBondContact O-CB 3.18Å; E58-N62 PolarHBondContact O-N 3.3Å; E58-N62 PolarHBondContact O-ND2 3.48Å; E59-N62 PolarHBondContact O-N 3.34Å; T60-N62 VanDerWaalsContact C-N 3.35Å; T60-N62 PolarHBondContact O-N 3.24Å; N62-A65 PolarHBondContact O-N 3.28Å; N62-E66 WeakPolarHBondContact O-CB 3.16Å; N62-E66 PolarHBondContact O-N 2.81Å
63	I	97.1	Very high	96	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.046	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-43	176.5	-71.5	168.1	0	0	0	111	E59 T60 E66 L67 P172 V175 A176	E59-I63 HydrophobicContact CG-CD1 4.05Å; E59-I63 WeakPolarHBondContact O-CG1 3.29Å; E59-I63 PolarHBondContact O-N 3.12Å; T60-I63 PolarHBondContact O-N 3.25Å; I63-E66 PolarHBondContact O-N 2.91Å; I63-L67 HydrophobicContact CG2-CD1 4.1Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.46Å; I63-P172 HydrophobicContact CG2-CB 3.83Å; I63-V175 HydrophobicContact CD1-CB 4.26Å; I63-V175 HydrophobicContact CD1-CG1 3.61Å; I63-A176 HydrophobicContact CG2-CB 4.37Å
64	L	97.7	Very high	96.1	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-40.2	178	-71.8	164.5	0	0	0	112.2	T60 A61 E66 L67 E68 W83 A176	T60-L64 HydrophobicContact CG2-CD1 4.06Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 3.09Å; A61-L64 PolarHBondContact O-N 3.14Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-L67 HydrophobicContact CD2-CD1 4.4Å; L64-L67 PolarHBondContact O-N 2.8Å; L64-E68 PolarHBondContact O-N 2.99Å; L64-W83 HydrophobicContact CB-CD2 4.46Å; L64-W83 HydrophobicContact CB-CH2 4.1Å; L64-W83 HydrophobicContact CB-CZ2 3.81Å; L64-W83 HydrophobicContact CD1-CZ2 4.23Å; L64-W83 HydrophobicContact CD2-CD2 4.14Å; L64-W83 HydrophobicContact CD2-CG 4.07Å; L64-W83 HydrophobicContact CG-CZ2 4.5Å; L64-A176 HydrophobicContact CD2-CB 4.15Å
65	A	97.1	Very high	96.3	Very high	50 Å²	50	61 Å²	61	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-37.8	175.1	0	0	0	0	0	112.3	A61 N62 E68 R69	A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.27Å; N62-A65 PolarHBondContact O-N 3.28Å; A65-E68 PolarHBondContact O-N 3.47Å; A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.26Å
66	E	96.4	Very high	96.6	Very high	61 Å²	61	59.6 Å²	59.6	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-47.7	172.6	170.4	165.7	-140	0	0	111.6	N62 I63 L64 E68 R69 D70 Y148	N62-E66 WeakPolarHBondContact O-CB 3.16Å; N62-E66 PolarHBondContact O-N 2.81Å; I63-E66 PolarHBondContact O-N 2.91Å; L64-E66 VanDerWaalsContact C-N 3.34Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.89Å; E66-R69 PolarHBondContact O-N 3.29Å; E66-R69 IonicContact OE1-NH2 2.64Å; E66-D70 WeakPolarHBondContact O-CB 3.44Å; E66-D70 VanDerWaalsContact O-CG 3.3Å; E66-D70 PolarHBondContact O-N 3.46Å; E66-Y148 PolarHBondContact OE2-OH 3.02Å
67	L	97.6	Very high	96.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-37.9	176	-76.1	165.9	0	0	0	112.6	I63 L64 G71 M72 V73 P172 A176	I63-L67 HydrophobicContact CG2-CD1 4.1Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.46Å; L64-L67 HydrophobicContact CD2-CD1 4.4Å; L64-L67 PolarHBondContact O-N 2.8Å; L67-G71 PolarHBondContact O-N 2.89Å; L67-M72 HydrophobicContact CD2-CB 3.98Å; L67-M72 HydrophobicContact CD2-CG 4.01Å; L67-M72 HydrophobicContact CD2-SD 3.46Å; L67-M72 WeakPolarHBondContact CD2-SD 3.44Å; L67-M72 PolarHBondContact O-N 3.12Å; L67-V73 HydrophobicContact CB-CB 4.37Å; L67-V73 HydrophobicContact CB-CG1 4.08Å; L67-V73 HydrophobicContact CB-CG2 3.53Å; L67-V73 HydrophobicContact CD1-CG1 4.33Å; L67-V73 PolarHBondContact O-N 2.89Å; L67-P172 HydrophobicContact CD1-CB 4.37Å; L67-P172 HydrophobicContact CD2-CB 3.97Å; L67-P172 HydrophobicContact CD2-CG 3.71Å; L67-P172 HydrophobicContact CG-CB 4.03Å; L67-P172 HydrophobicContact CG-CG 4.23Å; L67-A176 HydrophobicContact CD1-CB 4.45Å
68	E	98.1	Very high	96.9	Very high	79 Å²	79	62.4 Å²	62.4	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-45.2	177.2	178.8	169.3	-129.2	0	0	111.7	L64 A65 E66 D70 G71 V73 K75 W83	L64-E68 PolarHBondContact O-N 2.99Å; A65-E68 PolarHBondContact O-N 3.47Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.89Å; E68-D70 PolarHBondContact O-N 2.8Å; E68-G71 WeakPolarHBondContact O-CA 3.18Å; E68-G71 PolarHBondContact O-N 2.86Å; E68-V73 WeakPolarHBondContact CA-O 3.22Å; E68-V73 HydrophobicContact CB-CG2 4.16Å; E68-K75 WeakPolarHBondContact OE1-CB 3.48Å; E68-K75 PolarHBondContact OE1-N 3.2Å; E68-K75 VanDerWaalsContact OE1-N 3.15Å; E68-W83 HydrophobicContact CB-CZ3 3.96Å; E68-W83 HydrophobicContact CG-CZ3 4.38Å
69	R	97.4	Very high	97.1	Very high	179 Å²	179	59.9 Å²	59.9	68%	0.675	31%	0.314	S	S	*	.	H	α-helix	trans	-58.5	-37.9	175.5	-178.4	-174.1	62.9	-155	-5.3	111.9	A65 E66 G71	A65-R69 WeakPolarHBondContact O-CB 3.37Å; A65-R69 PolarHBondContact O-N 3.26Å; E66-R69 PolarHBondContact O-N 3.29Å; E66-R69 IonicContact OE1-NH2 2.64Å; R69-G71 PolarHBondContact O-N 2.87Å
70	D	95.3	Very high	97.2	Very high	89 Å²	89	65 Å²	65	48%	0.476	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.6	178.8	-65.5	1.1	0	0	0	112.4	E66 E68 M72	E66-D70 WeakPolarHBondContact O-CB 3.44Å; E66-D70 VanDerWaalsContact O-CG 3.3Å; E66-D70 PolarHBondContact O-N 3.46Å; E68-D70 PolarHBondContact O-N 2.8Å; D70-M72 VanDerWaalsContact C-N 3.26Å; D70-M72 PolarHBondContact O-N 3.28Å
71	G	96.4	Very high	97.3	Very high	44 Å²	44	65.9 Å²	65.9	45%	0.454	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	12.4	178.1	0	0	0	0	0	114.7	L67 E68 R69 S218	L67-G71 PolarHBondContact O-N 2.89Å; E68-G71 WeakPolarHBondContact O-CA 3.18Å; E68-G71 PolarHBondContact O-N 2.86Å; R69-G71 PolarHBondContact O-N 2.87Å; G71-S218 WeakPolarHBondContact O-CB 3.34Å
72	M	96.8	Very high	97.5	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.074	32%	0.319	C	S	.	.	S	Bend	trans	-78.7	-30	179.3	-171.7	173.9	179.8	0	0	111.9	L67 D70 Y173 W219	L67-M72 HydrophobicContact CD2-CB 3.98Å; L67-M72 HydrophobicContact CD2-CG 4.01Å; L67-M72 HydrophobicContact CD2-SD 3.46Å; L67-M72 WeakPolarHBondContact CD2-SD 3.44Å; L67-M72 PolarHBondContact O-N 3.12Å; D70-M72 VanDerWaalsContact C-N 3.26Å; D70-M72 PolarHBondContact O-N 3.28Å; M72-Y173 HydrophobicContact CE-CG 4.11Å; M72-W219 HydrophobicContact CE-CD2 4.11Å; M72-W219 HydrophobicContact CE-CE3 3.35Å; M72-W219 HydrophobicContact CE-CH2 4.01Å; M72-W219 HydrophobicContact CE-CZ3 3.29Å; M72-W219 HydrophobicContact CG-CE3 4.3Å
73	V	98	Very high	97.6	Very high	8 Å²	8	58.5 Å²	58.5	5%	0.048	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	161.7	170.9	-53.1	0	0	0	0	110.6	L67 E68 W83 L84 A85	L67-V73 HydrophobicContact CB-CB 4.37Å; L67-V73 HydrophobicContact CB-CG1 4.08Å; L67-V73 HydrophobicContact CB-CG2 3.53Å; L67-V73 HydrophobicContact CD1-CG1 4.33Å; L67-V73 PolarHBondContact O-N 2.89Å; E68-V73 WeakPolarHBondContact CA-O 3.22Å; E68-V73 HydrophobicContact CB-CG2 4.16Å; V73-W83 HydrophobicContact CG2-CE3 3.8Å; V73-W83 HydrophobicContact CG2-CZ3 4.4Å; V73-L84 CarbonylContact C-O 3.56Å; V73-L84 VanDerWaalsContact CA-O 3.27Å; V73-L84 WeakPolarHBondContact CA-O 3.3Å; V73-A85 HydrophobicContact CG1-CB 4.17Å
74	K	97.9	Very high	97.7	Very high	99 Å²	99	58.3 Å²	58.3	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.8	173	-179.5	178.4	-179.4	-176	0	109.8	W83 L84 E371	K74-W83 CarbonylContact O-C 3.5Å; K74-W83 WeakPolarHBondContact O-CA 3.49Å; K74-L84 PolarHBondContact N-O 3.17Å; K74-L84 PolarHBondContact O-N 2.7Å; K74-E371 WeakPolarHBondContact CD-OE1 3.47Å; K74-E371 WeakPolarHBondContact CE-OE1 3.33Å; K74-E371 IonicContact NZ-OE1 3.67Å; K74-E371 PolarHBondContact NZ-OE1 3.14Å; K74-E371 IonicContact NZ-OE2 2.69Å
75	K	98.2	Very high	97.7	Very high	101 Å²	101	57.8 Å²	57.8	44%	0.439	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.2	173	-165.5	172	-174	175.5	0	111.6	E68 P77 W83	E68-K75 WeakPolarHBondContact OE1-CB 3.48Å; E68-K75 PolarHBondContact OE1-N 3.2Å; E68-K75 VanDerWaalsContact OE1-N 3.15Å; K75-P77 WeakPolarHBondContact O-CD 3.33Å; K75-W83 HydrophobicContact CB-CE3 3.9Å; K75-W83 HydrophobicContact CB-CH2 4.26Å; K75-W83 HydrophobicContact CB-CZ3 3.69Å; K75-W83 HydrophobicContact CD-CH2 4.1Å; K75-W83 HydrophobicContact CD-CZ2 4.49Å; K75-W83 HydrophobicContact CD-CZ3 4.37Å; K75-W83 HydrophobicContact CG-CE3 4.34Å; K75-W83 HydrophobicContact CG-CH2 4.24Å; K75-W83 HydrophobicContact CG-CZ3 4.13Å
76	L	98.4	Very high	97.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	96.1	178.2	-66.9	167.6	0	0	0	109.8	K78 Y79 C82 L84 F366 G375 V377	L76-K78 PolarHBondContact O-N 3.29Å; L76-Y79 HydrophobicContact CB-CD2 3.92Å; L76-Y79 HydrophobicContact CD1-CD2 4.23Å; L76-Y79 PolarHBondContact O-N 2.83Å; L76-C82 HydrophobicContact CB-CB 4.16Å; L76-C82 HydrophobicContact CD1-CB 4.06Å; L76-C82 PolarHBondContact N-O 3.38Å; L76-L84 HydrophobicContact CD1-CB 4.15Å; L76-L84 HydrophobicContact CD2-CB 4.05Å; L76-L84 HydrophobicContact CD2-CD2 4.46Å; L76-L84 HydrophobicContact CG-CB 4.12Å; L76-F366 HydrophobicContact CD1-CD2 3.63Å; L76-F366 HydrophobicContact CD1-CE2 4.14Å; L76-F366 HydrophobicContact CD1-CG 4.5Å; L76-G375 CarbonylContact C-O 3.35Å; L76-G375 WeakPolarHBondContact CA-O 3.2Å; L76-G375 WeakPolarHBondContact CB-O 3.4Å; L76-V377 HydrophobicContact CD1-CG1 3.54Å; L76-V377 HydrophobicContact CD2-CG1 4.12Å; L76-V377 HydrophobicContact CG-CG1 4.48Å
77	P	97.8	Very high	97.9	Very high	99 Å²	99	54.5 Å²	54.5	64%	0.643	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13	-169.9	29.5	-37.2	0	0	0	114.3	K75 Y79 G375	K75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-Y79 PolarHBondContact O-N 2.88Å; P77-G375 WeakPolarHBondContact CD-O 3.27Å
78	K	97.6	Very high	97.9	Very high	111 Å²	111	55.4 Å²	55.4	48%	0.483	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.2	174.3	-167.4	171.1	-176.7	170.8	0	112.9	L76 D374 G375	L76-K78 PolarHBondContact O-N 3.29Å; K78-D374 WeakPolarHBondContact CE-OD2 3.32Å; K78-D374 IonicContact NZ-OD1 2.75Å; K78-D374 IonicContact NZ-OD2 2.8Å; K78-D374 PolarHBondContact NZ-OD2 3.41Å; K78-G375 VanDerWaalsContact CB-O 3.26Å; K78-G375 WeakPolarHBondContact CB-O 3.33Å; K78-G375 PolarHBondContact N-O 3.01Å; K78-G375 VanDerWaalsContact N-O 3.17Å
79	Y	98.1	Very high	97.9	Very high	68 Å²	68	54.2 Å²	54.2	27%	0.267	27%	0.267	S	S	.	.	S	Bend	trans	-126.1	166.9	-174.8	-54.2	-59.1	0	0	0	111.3	L76 P77 C82 S361 V377	L76-Y79 HydrophobicContact CB-CD2 3.92Å; L76-Y79 HydrophobicContact CD1-CD2 4.23Å; L76-Y79 PolarHBondContact O-N 2.83Å; P77-Y79 PolarHBondContact O-N 2.88Å; Y79-C82 HydrophobicContact CD2-CB 4.21Å; Y79-C82 HydrophobicContact CG-CB 4.38Å; Y79-S361 WeakPolarHBondContact CB-O 3.39Å; Y79-V377 HydrophobicContact CE2-CB 4.48Å; Y79-V377 HydrophobicContact CE2-CG1 4.27Å; Y79-V377 HydrophobicContact CE2-CG2 3.89Å; Y79-V377 PolarHBondContact OH-N 3.11Å
80	E	98.1	Very high	97.8	Very high	127 Å²	127	53 Å²	53	59%	0.593	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-87.9	111.4	178.7	-176.4	-172.8	173.1	0	0	110.6	C82 S361 R362 N363	E80-C82 VanDerWaalsContact C-N 3.28Å; E80-C82 PolarHBondContact O-N 2.85Å; E80-S361 PolarHBondContact N-O 3.18Å; E80-R362 HydrophobicContact CB-CB 3.8Å; E80-R362 HydrophobicContact CG-CB 4.35Å; E80-R362 CarbonylContact O-C 3.42Å; E80-R362 WeakPolarHBondContact O-CA 3.46Å; E80-R362 WeakPolarHBondContact O-CB 3.46Å; E80-N363 PolarHBondContact O-N 2.87Å
81	N	97.9	Very high	97.9	Very high	64 Å²	64	48.9 Å²	48.9	34%	0.342	25%	0.245	S	C	.	.	S	Bend	trans	53.9	40.8	176.9	-171.1	33.5	0	0	0	113.8	W83 N363	N81-W83 PolarHBondContact O-NE1 3.36Å; N81-W83 PolarHBondContact OD1-NE1 2.95Å; N81-N363 WeakPolarHBondContact CB-OD1 3.48Å; N81-N363 PolarHBondContact ND2-OD1 2.92Å; N81-N363 VanDerWaalsContact O-CA 3.28Å; N81-N363 WeakPolarHBondContact O-CA 3.32Å; N81-N363 PolarHBondContact O-N 3.39Å
82	C	98.8	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	151.3	173.2	-65	0	0	0	0	112	L76 Y79 E80 T364 F366	L76-C82 HydrophobicContact CB-CB 4.16Å; L76-C82 HydrophobicContact CD1-CB 4.06Å; L76-C82 PolarHBondContact N-O 3.38Å; Y79-C82 HydrophobicContact CD2-CB 4.21Å; Y79-C82 HydrophobicContact CG-CB 4.38Å; E80-C82 VanDerWaalsContact C-N 3.28Å; E80-C82 PolarHBondContact O-N 2.85Å; C82-T364 CarbonylContact C-O 3.5Å; C82-T364 WeakPolarHBondContact CA-O 3.47Å; C82-T364 WeakPolarHBondContact CB-O 3.31Å; C82-F366 HydrophobicContact CB-CD2 4.49Å; C82-F366 HydrophobicContact CB-CE2 4.13Å
83	W	98.8	Very high	97.7	Very high	14 Å²	14	47.8 Å²	47.8	5%	0.053	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.6	-171.2	-53.8	85.3	0	0	0	110.7	L64 E68 V73 K74 K75 N81 T364 V365 F366	L64-W83 HydrophobicContact CB-CD2 4.46Å; L64-W83 HydrophobicContact CB-CH2 4.1Å; L64-W83 HydrophobicContact CB-CZ2 3.81Å; L64-W83 HydrophobicContact CD1-CZ2 4.23Å; L64-W83 HydrophobicContact CD2-CD2 4.14Å; L64-W83 HydrophobicContact CD2-CG 4.07Å; L64-W83 HydrophobicContact CG-CZ2 4.5Å; E68-W83 HydrophobicContact CB-CZ3 3.96Å; E68-W83 HydrophobicContact CG-CZ3 4.38Å; V73-W83 HydrophobicContact CG2-CE3 3.8Å; V73-W83 HydrophobicContact CG2-CZ3 4.4Å; K74-W83 CarbonylContact O-C 3.5Å; K74-W83 WeakPolarHBondContact O-CA 3.49Å; K75-W83 HydrophobicContact CB-CE3 3.9Å; K75-W83 HydrophobicContact CB-CH2 4.26Å; K75-W83 HydrophobicContact CB-CZ3 3.69Å; K75-W83 HydrophobicContact CD-CH2 4.1Å; K75-W83 HydrophobicContact CD-CZ2 4.49Å; K75-W83 HydrophobicContact CD-CZ3 4.37Å; K75-W83 HydrophobicContact CG-CE3 4.34Å; K75-W83 HydrophobicContact CG-CH2 4.24Å; K75-W83 HydrophobicContact CG-CZ3 4.13Å; N81-W83 PolarHBondContact O-NE1 3.36Å; N81-W83 PolarHBondContact OD1-NE1 2.95Å; W83-T364 PolarHBondContact N-O 3.09Å; W83-V365 HydrophobicContact CB-CG2 4.42Å; W83-F366 PolarHBondContact O-N 2.96Å
84	L	98.8	Very high	97.3	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.9	177.3	176.3	60.3	0	0	0	110.5	V73 K74 L76 F366 V369 E371	V73-L84 CarbonylContact C-O 3.56Å; V73-L84 VanDerWaalsContact CA-O 3.27Å; V73-L84 WeakPolarHBondContact CA-O 3.3Å; K74-L84 PolarHBondContact N-O 3.17Å; K74-L84 PolarHBondContact O-N 2.7Å; L76-L84 HydrophobicContact CD1-CB 4.15Å; L76-L84 HydrophobicContact CD2-CB 4.05Å; L76-L84 HydrophobicContact CD2-CD2 4.46Å; L76-L84 HydrophobicContact CG-CB 4.12Å; L84-F366 HydrophobicContact CD1-CB 4.09Å; L84-V369 HydrophobicContact CD1-CG2 3.48Å; L84-V369 VanDerWaalsContact CD1-CG2 3.48Å; L84-E371 HydrophobicContact CD2-CB 3.84Å; L84-E371 HydrophobicContact CD2-CG 4.32Å
85	A	98.6	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.9	166.6	0	0	0	0	0	110.6	V73 Y173 W219 F366 T367 N368	V73-A85 HydrophobicContact CG1-CB 4.17Å; A85-Y173 HydrophobicContact CB-CD2 4.17Å; A85-Y173 HydrophobicContact CB-CE2 3.75Å; A85-W219 HydrophobicContact CB-CZ3 4.38Å; A85-F366 PolarHBondContact N-O 3.11Å; A85-T367 HydrophobicContact CB-CG2 4.36Å; A85-T367 WeakPolarHBondContact O-CA 3.38Å; A85-N368 PolarHBondContact O-N 3.35Å
86	R	98.5	Very high	96.6	Very high	42 Å²	42	41.3 Å²	41.3	16%	0.158	21%	0.206	C	C	.	.			trans	-118.7	126.1	167.5	-67.1	-178.3	179.8	101.6	0.2	108.3	N217 N368 E371 D393 W394	R86-N217 HydrophobicContact CB-CB 4.16Å; R86-N217 WeakPolarHBondContact O-CB 3.44Å; R86-N368 WeakPolarHBondContact CA-OD1 3.46Å; R86-E371 IonicContact CZ-OE2 2.7Å; R86-E371 IonicContact NH1-OE2 3.75Å; R86-E371 PolarHBondContact NH1-OE2 3.36Å; R86-E371 IonicContact NH2-OE2 2.67Å; R86-E371 PolarHBondContact NH2-OE2 3.44Å; R86-D393 PolarHBondContact NE-O 3.13Å; R86-W394 WeakPolarHBondContact CD-O 3.36Å
87	T	98.5	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.			trans	-91.9	170.3	-176.6	73	0	0	0	0	111.4	D91 N217 W219 T367 N368	T87-D91 WeakPolarHBondContact CB-O 3.33Å; T87-D91 PolarHBondContact OG1-O 3.09Å; T87-N217 PolarHBondContact O-ND2 3.02Å; T87-W219 HydrophobicContact CG2-CD2 3.79Å; T87-W219 HydrophobicContact CG2-CE3 3.9Å; T87-W219 HydrophobicContact CG2-CG 4.5Å; T87-W219 HydrophobicContact CG2-CH2 3.76Å; T87-W219 HydrophobicContact CG2-CZ2 3.61Å; T87-W219 HydrophobicContact CG2-CZ3 3.89Å; T87-T367 HydrophobicContact CG2-CG2 3.63Å; T87-N368 PolarHBondContact N-OD1 3.11Å; T87-N368 PolarHBondContact OG1-ND2 3.12Å; T87-N368 PolarHBondContact OG1-OD1 2.92Å
88	D	98.3	Very high	96.3	Very high	20 Å²	20	42.8 Å²	42.8	11%	0.107	21%	0.21	C	C	.	.			trans	-62.5	132.6	160.5	-171.3	-50.1	0	0	0	108.7	K90 D91 V216 W219 C221	D88-K90 PolarHBondContact O-N 2.71Å; D88-K90 WeakPolarHBondContact OD1-CB 3.47Å; D88-K90 PolarHBondContact OD1-N 2.64Å; D88-D91 CarbonylContact O-C 3.4Å; D88-D91 PolarHBondContact O-N 3.05Å; D88-V216 HydrophobicContact CB-CB 4.27Å; D88-V216 WeakPolarHBondContact OD2-CB 3.44Å; D88-W219 HydrophobicContact CB-CB 4.49Å; D88-C221 VanDerWaalsContact CB-SG 3.55Å
89	P	97.2	Very high	96.4	Very high	54 Å²	54	38 Å²	38	35%	0.351	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.4	176.3	-28.9	37.2	0	0	0	115.2	D91 W394	P89-D91 VanDerWaalsContact C-N 3.3Å; P89-W394 HydrophobicContact CB-CH2 3.86Å; P89-W394 HydrophobicContact CB-CZ3 4.22Å; P89-W394 HydrophobicContact CG-CH2 4.11Å; P89-W394 HydrophobicContact CG-CZ3 4.12Å
90	K	96.8	Very high	96.4	Very high	153 Å²	153	35.3 Å²	35.3	67%	0.665	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.8	174.1	-61.6	178.4	178.7	-179.4	0	113.6	D88 P223	D88-K90 PolarHBondContact O-N 2.71Å; D88-K90 WeakPolarHBondContact OD1-CB 3.47Å; D88-K90 PolarHBondContact OD1-N 2.64Å; K90-P223 HydrophobicContact CB-CB 3.85Å; K90-P223 HydrophobicContact CB-CG 3.52Å; K90-P223 HydrophobicContact CD-CB 4.25Å; K90-P223 HydrophobicContact CD-CG 4Å; K90-P223 HydrophobicContact CG-CG 4.43Å
91	D	97.6	Very high	96.4	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-133.7	68.6	-177.1	-170.2	27.7	0	0	0	111.6	T87 D88 P89 W219 C221 S242 G243 Y244	T87-D91 WeakPolarHBondContact CB-O 3.33Å; T87-D91 PolarHBondContact OG1-O 3.09Å; D88-D91 CarbonylContact O-C 3.4Å; D88-D91 PolarHBondContact O-N 3.05Å; P89-D91 VanDerWaalsContact C-N 3.3Å; D91-W219 PolarHBondContact OD2-NE1 3.5Å; D91-C221 HydrophobicContact CB-CB 4.04Å; D91-S242 VanDerWaalsContact OD1-CB 3.29Å; D91-S242 WeakPolarHBondContact OD1-CB 3.49Å; D91-S242 PolarHBondContact OD1-OG 3.38Å; D91-G243 PolarHBondContact OD2-N 3.28Å; D91-Y244 WeakPolarHBondContact OD1-CB 3.41Å; D91-Y244 PolarHBondContact OD2-N 3.3Å
92	V	96	Very high	96.5	Very high	20 Å²	20	26.8 Å²	26.8	12%	0.121	14%	0.139	C	C	.	.	S	Bend	trans	-127.1	-4.3	-169.2	-63.6	0	0	0	0	114.6	Y244 W394 H409 N411	V92-Y244 WeakPolarHBondContact O-CE2 3.41Å; V92-W394 HydrophobicContact CG1-CH2 4.04Å; V92-W394 HydrophobicContact CG1-CZ3 3.82Å; V92-H409 WeakPolarHBondContact CG2-NE2 3.44Å; V92-N411 PolarHBondContact O-ND2 3.23Å; V92-N411 VanDerWaalsContact O-ND2 3.09Å
93	A	92.5	Very high	96.5	Very high	16 Å²	16	26.9 Å²	26.9	13%	0.132	14%	0.14	C	C	.	.	S	Bend	trans	-158	173.7	-174.6	0	0	0	0	0	112.1	N247	A93-N247 PolarHBondContact O-ND2 2.77Å; A93-N247 VanDerWaalsContact O-ND2 3.07Å
94	R	89.6	Confident	96.3	Very high	21 Å²	21	33.7 Å²	33.7	8%	0.079	17%	0.17	C	C	.	.			trans	-67	143.1	167.6	-68.3	-178.9	-66.8	105.1	-2.9	109.9	E96 A475	R94-E96 IonicContact CZ-OE1 3.57Å; R94-E96 IonicContact NH1-OE1 2.63Å; R94-E96 PolarHBondContact NH1-OE1 3.31Å; R94-E96 IonicContact NH2-OE1 2.98Å; R94-A475 PolarHBondContact NH2-O 3.26Å
95	V	91.1	Very high	96.3	Very high	32 Å²	32	37.7 Å²	37.7	19%	0.194	19%	0.191	C	C	.	.			trans	-112.8	88.5	176	-166.8	0	0	0	0	108.4	S97 K98 T99 V226	V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 WeakPolarHBondContact CG1-OG 3.34Å; V95-S97 PolarHBondContact O-N 3.17Å; V95-K98 HydrophobicContact CB-CB 4.2Å; V95-K98 HydrophobicContact CB-CG 4.5Å; V95-K98 HydrophobicContact CG1-CB 3.86Å; V95-K98 HydrophobicContact CG1-CD 3.83Å; V95-K98 HydrophobicContact CG1-CG 3.67Å; V95-K98 CarbonylContact O-C 3.48Å; V95-K98 PolarHBondContact O-N 3.01Å; V95-T99 PolarHBondContact O-N 3.45Å; V95-T99 PolarHBondContact O-OG1 3.42Å; V95-V226 HydrophobicContact CG2-CG1 4.46Å
96	E	90.9	Very high	96.2	Very high	19 Å²	19	41.4 Å²	41.4	9%	0.089	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.3	-38.1	-172.8	-65.4	179.3	-178.7	0	0	111.5	R94 K98 T99 A476 E477 H478 R491 P492	R94-E96 IonicContact CZ-OE1 3.57Å; R94-E96 IonicContact NH1-OE1 2.63Å; R94-E96 PolarHBondContact NH1-OE1 3.31Å; R94-E96 IonicContact NH2-OE1 2.98Å; E96-K98 PolarHBondContact O-N 3.42Å; E96-T99 WeakPolarHBondContact O-CB 3.32Å; E96-T99 PolarHBondContact O-N 2.81Å; E96-A476 HydrophobicContact CG-CB 4.14Å; E96-A476 VanDerWaalsContact OE1-CB 3.27Å; E96-A476 WeakPolarHBondContact OE1-CB 3.48Å; E96-E477 PolarHBondContact N-OE1 3.09Å; E96-H478 IonicContact OE2-CD2 2.74Å; E96-H478 IonicContact OE2-CE1 3.81Å; E96-H478 IonicContact OE2-NE2 2.68Å; E96-H478 PolarHBondContact OE2-NE2 3.44Å; E96-R491 VanDerWaalsContact CD-NH2 3.29Å; E96-R491 IonicContact OE1-NH2 2.99Å; E96-R491 PolarHBondContact OE1-NH2 3.39Å; E96-R491 IonicContact OE2-CZ 3.9Å; E96-R491 IonicContact OE2-NH1 3.91Å; E96-R491 PolarHBondContact OE2-NH1 3.39Å; E96-R491 IonicContact OE2-NH2 2.8Å; E96-R491 PolarHBondContact OE2-NH2 2.79Å; E96-P492 HydrophobicContact CG-CB 4.24Å; E96-P492 WeakPolarHBondContact OE1-CB 3.25Å
97	S	93.4	Very high	96.1	Very high	62 Å²	62	45 Å²	45	43%	0.434	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-59.8	-22.7	173.8	60.9	0	0	0	0	114.7	V95 E477	V95-S97 VanDerWaalsContact C-N 3.28Å; V95-S97 WeakPolarHBondContact CG1-OG 3.34Å; V95-S97 PolarHBondContact O-N 3.17Å; S97-E477 VanDerWaalsContact CB-OE1 3.28Å; S97-E477 WeakPolarHBondContact CB-OE1 3.45Å; S97-E477 PolarHBondContact N-OE1 2.9Å; S97-E477 PolarHBondContact OG-OE1 3.01Å; S97-E477 PolarHBondContact OG-OE2 3.18Å
98	K	96.4	Very high	96.1	Very high	67 Å²	67	47.4 Å²	47.4	29%	0.291	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-110	12.3	177.5	-58.8	-174.5	-177.1	-162.3	0	112.6	V95 E96 P223 D224 V226 I228	V95-K98 HydrophobicContact CB-CB 4.2Å; V95-K98 HydrophobicContact CB-CG 4.5Å; V95-K98 HydrophobicContact CG1-CB 3.86Å; V95-K98 HydrophobicContact CG1-CD 3.83Å; V95-K98 HydrophobicContact CG1-CG 3.67Å; V95-K98 CarbonylContact O-C 3.48Å; V95-K98 PolarHBondContact O-N 3.01Å; E96-K98 PolarHBondContact O-N 3.42Å; K98-P223 PolarHBondContact NZ-O 3.23Å; K98-D224 PolarHBondContact NZ-O 2.73Å; K98-V226 HydrophobicContact CB-CG1 4.06Å; K98-V226 HydrophobicContact CD-CB 3.68Å; K98-V226 HydrophobicContact CD-CG1 3.89Å; K98-V226 WeakPolarHBondContact CD-O 3.44Å; K98-I228 PolarHBondContact O-N 3.24Å
99	T	98.3	Very high	96	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.8	176.3	-57.5	0	0	0	0	108.8	V95 E96 S123 I228	V95-T99 PolarHBondContact O-N 3.45Å; V95-T99 PolarHBondContact O-OG1 3.42Å; E96-T99 WeakPolarHBondContact O-CB 3.32Å; E96-T99 PolarHBondContact O-N 2.81Å; T99-S123 WeakPolarHBondContact O-CB 3.47Å; T99-I228 CarbonylContact C-O 3.52Å; T99-I228 VanDerWaalsContact CA-O 3.29Å; T99-I228 WeakPolarHBondContact CA-O 3.39Å; T99-I228 HydrophobicContact CG2-CB 4.43Å
100	V	98.6	Very high	96	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.4	-173	-57.3	0	0	0	0	112.6	V102 S123 M125 L227 I228 S229 H230	V100-V102 HydrophobicContact CG2-CG2 4.44Å; V100-S123 CarbonylContact C-O 3.53Å; V100-S123 VanDerWaalsContact CA-O 3.28Å; V100-S123 WeakPolarHBondContact CA-O 3.19Å; V100-M125 HydrophobicContact CB-CB 3.96Å; V100-M125 HydrophobicContact CG1-CB 4.32Å; V100-M125 HydrophobicContact CG1-CE 4.18Å; V100-M125 HydrophobicContact CG2-CB 3.96Å; V100-M125 HydrophobicContact CG2-CE 4.15Å; V100-M125 HydrophobicContact CG2-SD 4.01Å; V100-L227 HydrophobicContact CG1-CD1 4.45Å; V100-L227 HydrophobicContact CG2-CD1 3.93Å; V100-I228 PolarHBondContact N-O 3.16Å; V100-S229 WeakPolarHBondContact O-CA 3.31Å; V100-H230 PolarHBondContact O-N 2.94Å; V100-H230 PolarHBondContact O-ND1 2.84Å
101	I	98.8	Very high	96.1	Very high	8 Å²	8	37 Å²	37	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.3	171.5	-58	170.1	0	0	0	107.6	T103 T109 S123 W124 M125 H230 P232 F494	I101-T103 HydrophobicContact CG2-CG2 4.21Å; I101-T109 HydrophobicContact CB-CG2 3.61Å; I101-T109 HydrophobicContact CD1-CG2 4.2Å; I101-T109 HydrophobicContact CG1-CG2 4.4Å; I101-T109 HydrophobicContact CG2-CG2 4.01Å; I101-T109 WeakPolarHBondContact CG2-OG1 3.39Å; I101-S123 PolarHBondContact N-O 3.34Å; I101-W124 WeakPolarHBondContact O-CA 3.32Å; I101-M125 PolarHBondContact O-N 3.24Å; I101-M125 VanDerWaalsContact O-N 3.12Å; I101-H230 WeakPolarHBondContact CA-O 3.35Å; I101-H230 HydrophobicContact CG1-CB 4.22Å; I101-P232 HydrophobicContact CG2-CG 3.93Å; I101-F494 WeakPolarHBondContact CD1-O 3.41Å
102	V	98.7	Very high	95.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.2	-173.9	-173.9	0	0	0	0	107.9	V100 M125 E127 W130 H230 L231	V100-V102 HydrophobicContact CG2-CG2 4.44Å; V102-M125 WeakPolarHBondContact CA-O 3.48Å; V102-M125 HydrophobicContact CG2-CB 4.32Å; V102-E127 HydrophobicContact CG1-CB 4.35Å; V102-E127 HydrophobicContact CG1-CG 3.85Å; V102-W130 HydrophobicContact CG1-CB 3.95Å; V102-W130 HydrophobicContact CG1-CG 4.2Å; V102-W130 HydrophobicContact CG2-CB 3.8Å; V102-W130 HydrophobicContact CG2-CD2 4.43Å; V102-W130 HydrophobicContact CG2-CG 3.68Å; V102-H230 PolarHBondContact N-O 3.32Å; V102-L231 HydrophobicContact CB-CD2 4.31Å; V102-L231 HydrophobicContact CB-CG 4.08Å; V102-L231 HydrophobicContact CG1-CD2 4.35Å; V102-L231 HydrophobicContact CG2-CG 4.45Å
103	T	98.4	Very high	95.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.203	C	C	.	.			trans	-141.9	160.2	178.4	51.2	0	0	0	0	108.5	I101 N105 D108 T109 W124 P232	I101-T103 HydrophobicContact CG2-CG2 4.21Å; T103-N105 PolarHBondContact O-N 2.93Å; T103-N105 PolarHBondContact OG1-O 3.38Å; T103-D108 HydrophobicContact CG2-CB 4.38Å; T103-T109 WeakPolarHBondContact CG2-OG1 3.49Å; T103-T109 PolarHBondContact OG1-OG1 3.34Å; T103-W124 PolarHBondContact O-NE1 3.27Å; T103-W124 VanDerWaalsContact OG1-CD1 3.27Å; T103-W124 PolarHBondContact OG1-NE1 3.26Å; T103-P232 HydrophobicContact CG2-CG 3.74Å
104	K	96.5	Very high	95.4	Very high	157 Å²	157	42 Å²	42	68%	0.683	21%	0.214	S	C	*	.	S	Bend	trans	-56.7	-47.1	178.3	-173.2	178	-178.7	178.9	0	112.5
105	N	97.1	Very high	95	Very high	87 Å²	87	45.2 Å²	45.2	47%	0.465	25%	0.253	S	S	.	.	S	Bend	trans	-114.1	137.1	178.5	-44.2	-71.2	0	0	0	111.1	T103 R107 D108	T103-N105 PolarHBondContact O-N 2.93Å; T103-N105 PolarHBondContact OG1-O 3.38Å; N105-R107 PolarHBondContact O-N 3.3Å; N105-D108 WeakPolarHBondContact CB-OD2 3.29Å; N105-D108 PolarHBondContact ND2-OD2 3.28Å; N105-D108 WeakPolarHBondContact O-CB 3.48Å; N105-D108 PolarHBondContact O-N 3.38Å
106	Q	96.7	Very high	94.3	Very high	78 Å²	78	47.6 Å²	47.6	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-53.3	-39.7	175.8	-177.5	176.5	7.3	0	0	113	D108 T109 I110 I112 W124	Q106-D108 PolarHBondContact O-N 3.45Å; Q106-T109 PolarHBondContact O-N 3.03Å; Q106-I110 HydrophobicContact CG-CD1 4.16Å; Q106-I110 HydrophobicContact CG-CG1 3.95Å; Q106-I110 PolarHBondContact O-N 3.33Å; Q106-I112 HydrophobicContact CB-CD1 4.33Å; Q106-I112 HydrophobicContact CG-CD1 4.05Å; Q106-W124 HydrophobicContact CB-CD2 3.62Å; Q106-W124 HydrophobicContact CB-CE3 3.77Å; Q106-W124 HydrophobicContact CB-CG 3.98Å; Q106-W124 HydrophobicContact CB-CH2 4.44Å; Q106-W124 HydrophobicContact CB-CZ2 4.33Å; Q106-W124 HydrophobicContact CB-CZ3 4.19Å; Q106-W124 HydrophobicContact CG-CB 3.93Å; Q106-W124 HydrophobicContact CG-CD2 3.84Å; Q106-W124 HydrophobicContact CG-CE3 3.83Å; Q106-W124 HydrophobicContact CG-CG 3.91Å
107	R	96.8	Very high	94.3	Very high	117 Å²	117	49.5 Å²	49.5	44%	0.442	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-20.4	-179.1	-162.2	172.6	-171.3	166.1	-2.9	113.4	N105 T109 I110 I112 N497 D617	N105-R107 PolarHBondContact O-N 3.3Å; R107-T109 PolarHBondContact O-N 2.91Å; R107-I110 WeakPolarHBondContact CA-O 3.46Å; R107-I112 HydrophobicContact CB-CD1 4.12Å; R107-I112 HydrophobicContact CB-CG1 4.25Å; R107-I112 HydrophobicContact CG-CG1 4.16Å; R107-N497 VanDerWaalsContact O-CB 3.31Å; R107-N497 WeakPolarHBondContact O-CB 3.34Å; R107-N497 PolarHBondContact O-ND2 2.97Å; R107-D617 IonicContact CZ-OD1 3.28Å; R107-D617 IonicContact NE-OD1 3.52Å; R107-D617 PolarHBondContact NE-OD1 3.45Å; R107-D617 IonicContact NE-OD2 2.64Å; R107-D617 PolarHBondContact NE-OD2 2.88Å; R107-D617 IonicContact NH2-OD1 3.12Å; R107-D617 PolarHBondContact NH2-OD1 3.39Å
108	D	97.6	Very high	94.2	Very high	52 Å²	52	54.4 Å²	54.4	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-73.2	-22	175.3	-60.9	-38.5	0	0	0	111.8	T103 N105 Q106 Y496 N497	T103-D108 HydrophobicContact CG2-CB 4.38Å; N105-D108 WeakPolarHBondContact CB-OD2 3.29Å; N105-D108 PolarHBondContact ND2-OD2 3.28Å; N105-D108 WeakPolarHBondContact O-CB 3.48Å; N105-D108 PolarHBondContact O-N 3.38Å; Q106-D108 PolarHBondContact O-N 3.45Å; D108-Y496 WeakPolarHBondContact O-CA 3.39Å; D108-Y496 WeakPolarHBondContact O-CB 3.37Å; D108-N497 PolarHBondContact O-N 3.04Å
109	T	97.8	Very high	94.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-100.9	-46.1	-176.7	-75.1	0	0	0	0	113	I101 T103 Q106 R107 W124 Y496 N497	I101-T109 HydrophobicContact CB-CG2 3.61Å; I101-T109 HydrophobicContact CD1-CG2 4.2Å; I101-T109 HydrophobicContact CG1-CG2 4.4Å; I101-T109 HydrophobicContact CG2-CG2 4.01Å; I101-T109 WeakPolarHBondContact CG2-OG1 3.39Å; T103-T109 WeakPolarHBondContact CG2-OG1 3.49Å; T103-T109 PolarHBondContact OG1-OG1 3.34Å; Q106-T109 PolarHBondContact O-N 3.03Å; R107-T109 PolarHBondContact O-N 2.91Å; T109-W124 HydrophobicContact CG2-CB 3.86Å; T109-W124 HydrophobicContact CG2-CG 4.5Å; T109-Y496 CarbonylContact O-C 3.51Å; T109-N497 PolarHBondContact O-N 3.09Å; T109-N497 VanDerWaalsContact O-N 3.16Å
110	I	97.5	Very high	93.9	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	32%	0.319	C	S	.	.	S	Bend	trans	-137.4	151.2	-179.6	48.5	171.5	0	0	0	110.1	Q106 R107 W124 N497	Q106-I110 HydrophobicContact CG-CD1 4.16Å; Q106-I110 HydrophobicContact CG-CG1 3.95Å; Q106-I110 PolarHBondContact O-N 3.33Å; R107-I110 WeakPolarHBondContact CA-O 3.46Å; I110-W124 HydrophobicContact CD1-CB 4.38Å; I110-W124 HydrophobicContact CG1-CB 4.35Å; I110-N497 PolarHBondContact O-ND2 2.78Å
111	P	97	Very high	93.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.316	C	S	.	.			trans	-57.6	150.7	164.3	-17.3	29.3	0	0	0	110.9	P113 L121 N497 F498 Q613 V614 D617	P111-P113 WeakPolarHBondContact O-CD 3.35Å; P111-L121 HydrophobicContact CG-CD1 4.11Å; P111-N497 WeakPolarHBondContact CA-ND2 3.46Å; P111-F498 HydrophobicContact CG-CB 4.08Å; P111-Q613 WeakPolarHBondContact CB-O 3.46Å; P111-V614 HydrophobicContact CB-CG1 4.44Å; P111-V614 HydrophobicContact CG-CG1 4.22Å; P111-D617 VanDerWaalsContact CA-OD2 3.29Å; P111-D617 WeakPolarHBondContact CA-OD2 3.45Å; P111-D617 HydrophobicContact CB-CB 4.18Å
112	I	93.3	Very high	93.7	Very high	80 Å²	80	55.9 Å²	55.9	41%	0.41	33%	0.325	S	S	.	.			trans	-79.5	109.2	175.2	-54.9	-55.5	0	0	0	108.3	Q106 R107	Q106-I112 HydrophobicContact CB-CD1 4.33Å; Q106-I112 HydrophobicContact CG-CD1 4.05Å; R107-I112 HydrophobicContact CB-CD1 4.12Å; R107-I112 HydrophobicContact CB-CG1 4.25Å; R107-I112 HydrophobicContact CG-CG1 4.16Å
113	P	89.7	Confident	93.6	Very high	21 Å²	21	57.3 Å²	57.3	14%	0.136	34%	0.336	C	S	.	.			trans	-67.9	146.6	-175.9	-17	32.4	0	0	0	111.3	P111 V117 Q612	P111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-V117 HydrophobicContact CB-CB 4.46Å; P113-V117 WeakPolarHBondContact CB-O 3.28Å; P113-V117 WeakPolarHBondContact CG-O 3.37Å; P113-Q612 CarbonylContact C-O 3.5Å; P113-Q612 VanDerWaalsContact CA-O 3.22Å; P113-Q612 WeakPolarHBondContact CA-O 3.42Å; P113-Q612 WeakPolarHBondContact CB-O 3.4Å
114	A	89.3	Confident	93.6	Very high	45 Å²	45	61.1 Å²	61.1	37%	0.372	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-72.4	149.6	176.9	0	0	0	0	0	111.6	G116 V117 Q612	A114-G116 VanDerWaalsContact C-N 3.27Å; A114-G116 PolarHBondContact O-N 3.04Å; A114-G116 VanDerWaalsContact O-N 3.16Å; A114-V117 WeakPolarHBondContact O-CG2 3.46Å; A114-V117 PolarHBondContact O-N 3.44Å; A114-Q612 PolarHBondContact N-O 3.16Å
115	G	81	Confident	93.7	Very high	87 Å²	87	55.5 Å²	55.5	90%	0.897	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	63.3	23.7	167.1	0	0	0	0	0	115.9	V117	G115-V117 PolarHBondContact O-N 2.92Å
116	G	77.3	Confident	93.7	Very high	82 Å²	82	52.2 Å²	52.2	85%	0.845	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	72.8	12.9	179	0	0	0	0	0	114.6	A114	A114-G116 VanDerWaalsContact C-N 3.27Å; A114-G116 PolarHBondContact O-N 3.04Å; A114-G116 VanDerWaalsContact O-N 3.16Å
117	V	89.4	Confident	93.8	Very high	59 Å²	59	53.4 Å²	53.4	36%	0.358	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.6	175.9	-178.2	0	0	0	0	109.7	P113 A114 G115 S119	P113-V117 HydrophobicContact CB-CB 4.46Å; P113-V117 WeakPolarHBondContact CB-O 3.28Å; P113-V117 WeakPolarHBondContact CG-O 3.37Å; A114-V117 WeakPolarHBondContact O-CG2 3.46Å; A114-V117 PolarHBondContact O-N 3.44Å; G115-V117 PolarHBondContact O-N 2.92Å; V117-S119 PolarHBondContact O-N 3.27Å
118	K	91.6	Very high	93.8	Very high	165 Å²	165	51.2 Å²	51.2	72%	0.717	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-67.7	132.7	174	-172.3	177.4	179.1	-179.7	0	109.9	Q120	K118-Q120 PolarHBondContact O-N 3.3Å
119	S	94.7	Very high	93.9	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.14	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.6	137	175.5	-173.2	0	0	0	0	111.2	V117 L121	V117-S119 PolarHBondContact O-N 3.27Å; S119-L121 PolarHBondContact OG-N 2.92Å
120	Q	94.9	Very high	93.9	Very high	85 Å²	85	52.9 Å²	52.9	40%	0.397	33%	0.326	S	S	.	.	S	Bend	trans	-98.8	-4.1	171.9	-60	178.2	16.7	0	0	112.3	K118 R491	K118-Q120 PolarHBondContact O-N 3.3Å; Q120-R491 WeakPolarHBondContact O-CD 3.46Å; Q120-R491 WeakPolarHBondContact O-CG 3.3Å
121	L	96.4	Very high	93.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	34%	0.344	C	S	.	.	S	Bend	trans	-103.1	13	-168.3	-70.3	166.9	0	0	0	113.4	P111 S119 P487 F494 F498 Y609 Q613 V614	P111-L121 HydrophobicContact CG-CD1 4.11Å; S119-L121 PolarHBondContact OG-N 2.92Å; L121-P487 HydrophobicContact CD2-CG 3.89Å; L121-F494 HydrophobicContact CD2-CD2 4.18Å; L121-F494 HydrophobicContact CD2-CE2 3.7Å; L121-F498 HydrophobicContact CB-CB 4.45Å; L121-F498 HydrophobicContact CD1-CB 3.96Å; L121-F498 HydrophobicContact CD1-CD1 3.6Å; L121-F498 HydrophobicContact CD1-CE1 4.49Å; L121-F498 HydrophobicContact CD1-CG 4.1Å; L121-F498 HydrophobicContact CD2-CB 4.18Å; L121-F498 HydrophobicContact CD2-CD1 3.84Å; L121-F498 HydrophobicContact CD2-CE1 4.36Å; L121-F498 HydrophobicContact CD2-CG 3.94Å; L121-F498 HydrophobicContact CG-CB 4.44Å; L121-F498 HydrophobicContact CG-CD1 4.37Å; L121-Y609 WeakPolarHBondContact CD2-OH 3.42Å; L121-Q613 HydrophobicContact CD1-CB 3.98Å; L121-Q613 WeakPolarHBondContact CD1-O 3.47Å; L121-V614 HydrophobicContact CD1-CG2 4.16Å
122	G	95.5	Very high	94	Very high	23 Å²	23	62.9 Å²	62.9	24%	0.237	37%	0.371	C	S	.	.			trans	141.1	172.7	-178.4	0	0	0	0	0	111.6
123	S	97	Very high	94.3	Very high	35 Å²	35	59.8 Å²	59.8	25%	0.245	36%	0.357	C	S	.	.			trans	-125.6	121.9	175.4	-55.6	0	0	0	0	108.8	T99 V100 I101	T99-S123 WeakPolarHBondContact O-CB 3.47Å; V100-S123 CarbonylContact C-O 3.53Å; V100-S123 VanDerWaalsContact CA-O 3.28Å; V100-S123 WeakPolarHBondContact CA-O 3.19Å; I101-S123 PolarHBondContact N-O 3.34Å
124	W	98	Very high	94.7	Very high	81 Å²	81	61 Å²	61	31%	0.307	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.7	173	174.6	77.2	0	0	0	110.7	I101 T103 Q106 T109 I110	I101-W124 WeakPolarHBondContact O-CA 3.32Å; T103-W124 PolarHBondContact O-NE1 3.27Å; T103-W124 VanDerWaalsContact OG1-CD1 3.27Å; T103-W124 PolarHBondContact OG1-NE1 3.26Å; Q106-W124 HydrophobicContact CB-CD2 3.62Å; Q106-W124 HydrophobicContact CB-CE3 3.77Å; Q106-W124 HydrophobicContact CB-CG 3.98Å; Q106-W124 HydrophobicContact CB-CH2 4.44Å; Q106-W124 HydrophobicContact CB-CZ2 4.33Å; Q106-W124 HydrophobicContact CB-CZ3 4.19Å; Q106-W124 HydrophobicContact CG-CB 3.93Å; Q106-W124 HydrophobicContact CG-CD2 3.84Å; Q106-W124 HydrophobicContact CG-CE3 3.83Å; Q106-W124 HydrophobicContact CG-CG 3.91Å; T109-W124 HydrophobicContact CG2-CB 3.86Å; T109-W124 HydrophobicContact CG2-CG 4.5Å; I110-W124 HydrophobicContact CD1-CB 4.38Å; I110-W124 HydrophobicContact CG1-CB 4.35Å
125	M	98.3	Very high	95.1	Very high	39 Å²	39	65.4 Å²	65.4	19%	0.192	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.5	170.2	177.1	179.3	-77.5	0	0	108.4	V100 I101 V102 D129 W130 L227	V100-M125 HydrophobicContact CB-CB 3.96Å; V100-M125 HydrophobicContact CG1-CB 4.32Å; V100-M125 HydrophobicContact CG1-CE 4.18Å; V100-M125 HydrophobicContact CG2-CB 3.96Å; V100-M125 HydrophobicContact CG2-CE 4.15Å; V100-M125 HydrophobicContact CG2-SD 4.01Å; I101-M125 PolarHBondContact O-N 3.24Å; I101-M125 VanDerWaalsContact O-N 3.12Å; V102-M125 WeakPolarHBondContact CA-O 3.48Å; V102-M125 HydrophobicContact CG2-CB 4.32Å; M125-D129 HydrophobicContact CG-CB 4.11Å; M125-W130 HydrophobicContact CG-CB 4.09Å; M125-W130 VanDerWaalsContact SD-CA 3.56Å; M125-W130 HydrophobicContact SD-CB 3.74Å; M125-W130 HydrophobicContact SD-CG 4.47Å; M125-L227 HydrophobicContact CE-CD1 3.99Å
126	S	98.4	Very high	95.9	Very high	18 Å²	18	65.4 Å²	65.4	13%	0.126	35%	0.351	C	S	.	.			trans	-65.3	151.6	176.8	81.6	0	0	0	0	111.1	S128 D129 W130	S126-S128 PolarHBondContact O-N 3.43Å; S126-S128 PolarHBondContact OG-OG 2.86Å; S126-D129 PolarHBondContact O-N 2.73Å; S126-D129 WeakPolarHBondContact OG-CB 3.32Å; S126-D129 PolarHBondContact OG-N 3.14Å; S126-D129 VanDerWaalsContact OG-N 3.08Å; S126-D129 PolarHBondContact OG-OD2 3.44Å; S126-W130 WeakPolarHBondContact O-CB 3.49Å; S126-W130 PolarHBondContact O-N 2.82Å
127	E	97.9	Very high	96.9	Very high	104 Å²	104	63.8 Å²	63.8	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-56.1	-39.6	174.7	-67.6	176	160	0	0	111.6	V102 W130 Q131	V102-E127 HydrophobicContact CG1-CB 4.35Å; V102-E127 HydrophobicContact CG1-CG 3.85Å; E127-W130 PolarHBondContact O-N 3.03Å; E127-Q131 VanDerWaalsContact O-CG 3.25Å; E127-Q131 WeakPolarHBondContact O-CG 3.33Å; E127-Q131 PolarHBondContact O-N 2.86Å
128	S	98.1	Very high	97.4	Very high	70 Å²	70	61.3 Å²	61.3	49%	0.49	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-40.8	-179.6	74.7	0	0	0	0	113.2	S126 Q131 K132	S126-S128 PolarHBondContact O-N 3.43Å; S126-S128 PolarHBondContact OG-OG 2.86Å; S128-Q131 PolarHBondContact O-N 3.42Å; S128-K132 WeakPolarHBondContact O-CG 3.38Å; S128-K132 PolarHBondContact O-N 3.41Å
129	D	98.5	Very high	97.7	Very high	78 Å²	78	57.1 Å²	57.1	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-74.2	-36.1	178.2	-63.5	-40.4	0	0	0	111.1	M125 S126 K132 A133	M125-D129 HydrophobicContact CG-CB 4.11Å; S126-D129 PolarHBondContact O-N 2.73Å; S126-D129 WeakPolarHBondContact OG-CB 3.32Å; S126-D129 PolarHBondContact OG-N 3.14Å; S126-D129 VanDerWaalsContact OG-N 3.08Å; S126-D129 PolarHBondContact OG-OD2 3.44Å; D129-K132 PolarHBondContact O-N 3.22Å; D129-K132 IonicContact OD1-NZ 3.74Å; D129-A133 WeakPolarHBondContact O-CB 3.35Å; D129-A133 PolarHBondContact O-N 2.82Å
130	W	98.4	Very high	97.9	Very high	11 Å²	11	57.2 Å²	57.2	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-43.5	172.6	173.4	77.1	0	0	0	111.9	V102 M125 S126 E127 K132 A133 R134 S229 L231 M238	V102-W130 HydrophobicContact CG1-CB 3.95Å; V102-W130 HydrophobicContact CG1-CG 4.2Å; V102-W130 HydrophobicContact CG2-CB 3.8Å; V102-W130 HydrophobicContact CG2-CD2 4.43Å; V102-W130 HydrophobicContact CG2-CG 3.68Å; M125-W130 HydrophobicContact CG-CB 4.09Å; M125-W130 VanDerWaalsContact SD-CA 3.56Å; M125-W130 HydrophobicContact SD-CB 3.74Å; M125-W130 HydrophobicContact SD-CG 4.47Å; S126-W130 WeakPolarHBondContact O-CB 3.49Å; S126-W130 PolarHBondContact O-N 2.82Å; E127-W130 PolarHBondContact O-N 3.03Å; W130-K132 PolarHBondContact O-N 3.48Å; W130-A133 CarbonylContact O-C 3.55Å; W130-A133 WeakPolarHBondContact O-CB 3.17Å; W130-A133 PolarHBondContact O-N 3.49Å; W130-A133 VanDerWaalsContact O-N 3.16Å; W130-R134 WeakPolarHBondContact O-CB 3.22Å; W130-R134 PolarHBondContact O-N 3.29Å; W130-S229 PolarHBondContact NE1-OG 2.75Å; W130-L231 HydrophobicContact CD2-CD2 3.99Å; W130-L231 HydrophobicContact CE3-CD2 3.82Å; W130-L231 HydrophobicContact CH2-CD1 4.24Å; W130-L231 HydrophobicContact CH2-CD2 3.45Å; W130-L231 VanDerWaalsContact CH2-CD2 3.45Å; W130-L231 HydrophobicContact CH2-CG 4.5Å; W130-L231 HydrophobicContact CZ2-CD1 3.67Å; W130-L231 HydrophobicContact CZ2-CD2 3.67Å; W130-L231 HydrophobicContact CZ2-CG 4.29Å; W130-L231 HydrophobicContact CZ3-CD2 3.51Å; W130-M238 HydrophobicContact CZ2-CG 4.03Å
131	Q	98.2	Very high	98.1	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-43.9	176.7	-72.9	-67.2	1.7	0	0	112.2	E127 S128 A133 R134 Q135	E127-Q131 VanDerWaalsContact O-CG 3.25Å; E127-Q131 WeakPolarHBondContact O-CG 3.33Å; E127-Q131 PolarHBondContact O-N 2.86Å; S128-Q131 PolarHBondContact O-N 3.42Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.1Å; Q131-R134 PolarHBondContact O-N 2.75Å; Q131-Q135 WeakPolarHBondContact O-CG 3.31Å; Q131-Q135 PolarHBondContact O-N 3.39Å
132	K	98.5	Very high	98.2	Very high	131 Å²	131	53.4 Å²	53.4	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-59.4	-44.9	172.8	-67.6	169.4	-169.8	162.2	0	111.2	S128 D129 W130 R134 Q135 D136	S128-K132 WeakPolarHBondContact O-CG 3.38Å; S128-K132 PolarHBondContact O-N 3.41Å; D129-K132 PolarHBondContact O-N 3.22Å; D129-K132 IonicContact OD1-NZ 3.74Å; W130-K132 PolarHBondContact O-N 3.48Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.31Å; K132-Q135 PolarHBondContact O-N 2.83Å; K132-D136 PolarHBondContact O-N 3.41Å
133	A	98.4	Very high	98.3	Very high	14 Å²	14	53.8 Å²	53.8	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-36.6	179.3	0	0	0	0	0	112.5	D129 W130 Q131 R137 L227	D129-A133 WeakPolarHBondContact O-CB 3.35Å; D129-A133 PolarHBondContact O-N 2.82Å; W130-A133 CarbonylContact O-C 3.55Å; W130-A133 WeakPolarHBondContact O-CB 3.17Å; W130-A133 PolarHBondContact O-N 3.49Å; W130-A133 VanDerWaalsContact O-N 3.16Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 3.1Å; A133-R137 WeakPolarHBondContact O-CB 3.28Å; A133-R137 VanDerWaalsContact O-CD 3.27Å; A133-R137 WeakPolarHBondContact O-CD 3.31Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.43Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NH1 2.78Å; A133-L227 HydrophobicContact CB-CD2 3.69Å
134	R	98	Very high	98.4	Very high	46 Å²	46	54.4 Å²	54.4	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-49.4	174.4	-178.6	179.6	-179.6	152.5	6.3	111.3	E44 W130 Q131 K132 D136 R137 F138 M238	E44-R134 IonicContact OE1-CZ 3.48Å; E44-R134 IonicContact OE1-NE 2.81Å; E44-R134 PolarHBondContact OE1-NE 3.27Å; E44-R134 IonicContact OE1-NH2 3.57Å; E44-R134 IonicContact OE2-CZ 3.84Å; E44-R134 IonicContact OE2-NE 3.79Å; E44-R134 PolarHBondContact OE2-NE 3.18Å; E44-R134 IonicContact OE2-NH2 2.68Å; E44-R134 PolarHBondContact OE2-NH2 3.43Å; W130-R134 WeakPolarHBondContact O-CB 3.22Å; W130-R134 PolarHBondContact O-N 3.29Å; Q131-R134 PolarHBondContact O-N 2.75Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.31Å; R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 PolarHBondContact O-N 2.84Å; R134-R137 PolarHBondContact O-N 3.42Å; R134-F138 HydrophobicContact CG-CD2 3.99Å; R134-F138 PolarHBondContact O-N 2.96Å; R134-M238 HydrophobicContact CG-CE 4.09Å; R134-M238 VanDerWaalsContact CZ-CE 3.5Å
135	Q	98.3	Very high	98.4	Very high	138 Å²	138	51.9 Å²	51.9	65%	0.645	28%	0.284	S	S	*	.	H	α-helix	trans	-60.7	-33.3	178.2	-71.8	177.9	5.6	0	0	112.9	Q131 K132 R137 P139	Q131-Q135 WeakPolarHBondContact O-CG 3.31Å; Q131-Q135 PolarHBondContact O-N 3.39Å; K132-Q135 PolarHBondContact O-N 2.83Å; Q135-R137 VanDerWaalsContact C-N 3.25Å; Q135-R137 PolarHBondContact O-N 3.49Å; Q135-P139 VanDerWaalsContact O-CD 3.25Å; Q135-P139 WeakPolarHBondContact O-CD 2.87Å; Q135-P139 WeakPolarHBondContact O-CG 3.32Å
136	D	98.3	Very high	98.4	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.2	176.4	176.8	60.3	0	0	0	114	K132 R134 K225	K132-D136 PolarHBondContact O-N 3.41Å; R134-D136 VanDerWaalsContact C-N 3.26Å; R134-D136 PolarHBondContact O-N 2.84Å; D136-K225 PolarHBondContact O-NZ 3.44Å; D136-K225 IonicContact OD1-NZ 3.87Å; D136-K225 PolarHBondContact OD1-NZ 3.29Å; D136-K225 IonicContact OD2-NZ 2.64Å; D136-K225 PolarHBondContact OD2-NZ 2.71Å
137	R	98.4	Very high	98.4	Very high	47 Å²	47	50.9 Å²	50.9	18%	0.177	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-57.1	-168.2	-75.1	170.5	-179.3	65.7	2.3	114.1	A133 R134 Q135 C141 K225 F240	A133-R137 WeakPolarHBondContact O-CB 3.28Å; A133-R137 VanDerWaalsContact O-CD 3.27Å; A133-R137 WeakPolarHBondContact O-CD 3.31Å; A133-R137 VanDerWaalsContact O-CG 3.29Å; A133-R137 WeakPolarHBondContact O-CG 3.43Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NH1 2.78Å; R134-R137 PolarHBondContact O-N 3.42Å; Q135-R137 VanDerWaalsContact C-N 3.25Å; Q135-R137 PolarHBondContact O-N 3.49Å; R137-C141 WeakPolarHBondContact O-CB 3.43Å; R137-K225 HydrophobicContact CG-CB 4.44Å; R137-K225 HydrophobicContact CG-CD 4.29Å; R137-K225 PolarHBondContact NE-O 2.86Å; R137-F240 HydrophobicContact CB-CD1 4.02Å; R137-F240 HydrophobicContact CB-CD2 3.8Å; R137-F240 HydrophobicContact CB-CE1 4.05Å; R137-F240 HydrophobicContact CB-CE2 3.82Å; R137-F240 HydrophobicContact CB-CG 3.88Å; R137-F240 HydrophobicContact CB-CZ 3.94Å; R137-F240 HydrophobicContact CG-CD1 3.8Å; R137-F240 HydrophobicContact CG-CD2 4.48Å; R137-F240 HydrophobicContact CG-CE1 3.93Å; R137-F240 HydrophobicContact CG-CG 4.09Å; R137-F240 HydrophobicContact CG-CZ 4.3Å; R137-F240 WeakPolarHBondContact O-CE2 3.48Å; R137-F240 WeakPolarHBondContact O-CZ 3.19Å
138	F	98.7	Very high	98.5	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-81.5	-33	-165.3	-77.9	-85.4	0	0	0	116	E44 R134 G140 C141 Q202 M238 F240	E44-F138 HydrophobicContact CG-CB 3.9Å; R134-F138 HydrophobicContact CG-CD2 3.99Å; R134-F138 PolarHBondContact O-N 2.96Å; F138-G140 PolarHBondContact O-N 2.99Å; F138-C141 WeakPolarHBondContact O-CB 3.04Å; F138-C141 PolarHBondContact O-N 3.22Å; F138-C141 PolarHBondContact O-SG 2.82Å; F138-Q202 HydrophobicContact CD1-CG 4.27Å; F138-Q202 HydrophobicContact CE1-CG 3.83Å; F138-M238 HydrophobicContact CD1-CE 4.22Å; F138-M238 HydrophobicContact CD2-CE 3.75Å; F138-M238 HydrophobicContact CE1-CE 4.03Å; F138-M238 HydrophobicContact CE2-CB 4.4Å; F138-M238 HydrophobicContact CE2-CE 3.55Å; F138-M238 HydrophobicContact CG-CE 4.07Å; F138-M238 HydrophobicContact CZ-CB 4.25Å; F138-M238 HydrophobicContact CZ-CE 3.69Å; F138-F240 HydrophobicContact CD1-CD2 4.33Å; F138-F240 HydrophobicContact CD2-CD2 4.35Å; F138-F240 HydrophobicContact CE1-CD2 4.12Å; F138-F240 HydrophobicContact CE2-CB 4.09Å; F138-F240 HydrophobicContact CE2-CD2 4.13Å; F138-F240 HydrophobicContact CG-CD2 4.46Å; F138-F240 HydrophobicContact CZ-CB 3.99Å; F138-F240 HydrophobicContact CZ-CD2 4.01Å
139	P	98.8	Very high	98.5	Very high	78 Å²	78	43.2 Å²	43.2	51%	0.506	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	115.5	179.7	-31.3	38.5	0	0	0	112.9	E44 Q135 C141	E44-P139 CarbonylContact O-C 3.5Å; E44-P139 WeakPolarHBondContact O-CA 3.36Å; Q135-P139 VanDerWaalsContact O-CD 3.25Å; Q135-P139 WeakPolarHBondContact O-CD 2.87Å; Q135-P139 WeakPolarHBondContact O-CG 3.32Å; P139-C141 PolarHBondContact O-N 3.47Å
140	G	98.6	Very high	98.5	Very high	22 Å²	22	39.5 Å²	39.5	23%	0.227	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	15	179.9	0	0	0	0	0	115.7	E44 C45 F138 M142 A143	E44-G140 PolarHBondContact O-N 2.8Å; C45-G140 CarbonylContact O-C 3.21Å; C45-G140 VanDerWaalsContact O-CA 3.31Å; C45-G140 WeakPolarHBondContact O-CA 3.36Å; F138-G140 PolarHBondContact O-N 2.99Å; G140-M142 PolarHBondContact O-N 2.8Å; G140-A143 WeakPolarHBondContact O-CB 3.45Å; G140-A143 PolarHBondContact O-N 3.39Å; G140-A143 VanDerWaalsContact O-N 3.16Å
141	C	98.7	Very high	98.5	Very high	5 Å²	5	39 Å²	39	3%	0.034	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.8	-172	73.1	0	0	0	0	114.6	C45 R137 F138 P139 S204 P208 F240	C45-C141 PolarHBondContact O-N 2.81Å; R137-C141 WeakPolarHBondContact O-CB 3.43Å; F138-C141 WeakPolarHBondContact O-CB 3.04Å; F138-C141 PolarHBondContact O-N 3.22Å; F138-C141 PolarHBondContact O-SG 2.82Å; P139-C141 PolarHBondContact O-N 3.47Å; C141-S204 WeakPolarHBondContact SG-CB 3.35Å; C141-S204 PolarHBondContact SG-OG 3.2Å; C141-P208 WeakPolarHBondContact O-CD 3.04Å; C141-F240 HydrophobicContact CB-CE2 3.73Å; C141-F240 HydrophobicContact CB-CZ 4.39Å
142	M	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	12.5	177.6	-60.3	-173.8	179.1	0	0	113	C45 P47 G140 G144 R145 M147 D170 H203	C45-M142 HydrophobicContact CB-CB 4.01Å; C45-M142 HydrophobicContact CB-CE 4.45Å; C45-M142 HydrophobicContact CB-CG 3.73Å; C45-M142 HydrophobicContact CB-SD 3.8Å; C45-M142 WeakPolarHBondContact O-CA 3.49Å; C45-M142 WeakPolarHBondContact O-CB 3.42Å; C45-M142 PolarHBondContact O-N 2.78Å; P47-M142 WeakPolarHBondContact CA-O 3.33Å; P47-M142 HydrophobicContact CB-CB 4.03Å; G140-M142 PolarHBondContact O-N 2.8Å; M142-G144 PolarHBondContact O-N 2.89Å; M142-R145 WeakPolarHBondContact O-CA 3.44Å; M142-R145 WeakPolarHBondContact O-CB 3.5Å; M142-R145 PolarHBondContact O-N 3.43Å; M142-M147 HydrophobicContact CE-CE 4.1Å; M142-M147 HydrophobicContact SD-CB 3.93Å; M142-M147 HydrophobicContact SD-CE 3.35Å; M142-M147 WeakPolarHBondContact SD-CE 3.39Å; M142-M147 HydrophobicContact SD-CG 4.05Å; M142-D170 HydrophobicContact CB-CB 4.4Å; M142-D170 HydrophobicContact CE-CB 3.99Å; M142-D170 HydrophobicContact CG-CB 3.74Å; M142-D170 HydrophobicContact SD-CB 3.89Å; M142-H203 WeakPolarHBondContact CE-O 3.22Å
143	A	98.7	Very high	98.5	Very high	31 Å²	31	28.7 Å²	28.7	26%	0.256	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	127.5	179.4	0	0	0	0	0	111.7	K46 G140 R145 P208 F209	K46-A143 VanDerWaalsContact O-CA 3.32Å; K46-A143 WeakPolarHBondContact O-CA 3.19Å; G140-A143 WeakPolarHBondContact O-CB 3.45Å; G140-A143 PolarHBondContact O-N 3.39Å; G140-A143 VanDerWaalsContact O-N 3.16Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 2.74Å; A143-P208 HydrophobicContact CB-CB 3.95Å; A143-F209 PolarHBondContact O-N 3.34Å
144	G	98.1	Very high	98.5	Very high	48 Å²	48	28 Å²	28	50%	0.495	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-0.1	-176.8	0	0	0	0	0	115.9	M142 F209	M142-G144 PolarHBondContact O-N 2.89Å; G144-F209 WeakPolarHBondContact O-CD2 3.48Å
145	R	98.3	Very high	98.5	Very high	28 Å²	28	25.8 Å²	25.8	11%	0.106	15%	0.154	C	C	.	.	S	Bend	trans	-105.3	159.8	179	-60.2	-175.8	171.7	-83	-8.2	111.7	P47 A48 M142 A143 D170 R207 F209	P47-R145 CarbonylContact C-O 3.46Å; P47-R145 WeakPolarHBondContact CB-O 3.42Å; A48-R145 PolarHBondContact N-O 3.19Å; M142-R145 WeakPolarHBondContact O-CA 3.44Å; M142-R145 WeakPolarHBondContact O-CB 3.5Å; M142-R145 PolarHBondContact O-N 3.43Å; A143-R145 VanDerWaalsContact C-N 3.25Å; A143-R145 PolarHBondContact O-N 2.74Å; R145-D170 HydrophobicContact CB-CB 4.17Å; R145-R207 PolarHBondContact NE-O 2.88Å; R145-R207 PolarHBondContact NH2-O 3Å; R145-F209 HydrophobicContact CG-CD2 3.88Å; R145-F209 HydrophobicContact CG-CE2 3.86Å
146	T	98.5	Very high	98.4	Very high	36 Å²	36	19.6 Å²	19.6	22%	0.221	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130	167.4	-58.7	0	0	0	0	109.6	N49 H51 Y148 D170	N49-T146 HydrophobicContact CB-CG2 4.21Å; N49-T146 WeakPolarHBondContact O-CA 3.34Å; H51-T146 HydrophobicContact CB-CG2 3.75Å; T146-Y148 HydrophobicContact CG2-CD1 4.48Å; T146-Y148 HydrophobicContact CG2-CD2 4.31Å; T146-Y148 HydrophobicContact CG2-CE1 4.22Å; T146-Y148 HydrophobicContact CG2-CE2 4.03Å; T146-D170 WeakPolarHBondContact O-CA 3.48Å
147	M	98.8	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.4	164.9	177.5	-176.4	-72.6	0	0	108.9	A41 V42 C45 P47 N49 V50 H51 M142 V168 T169	A41-M147 HydrophobicContact CB-CE 3.9Å; A41-M147 HydrophobicContact CB-SD 4.18Å; V42-M147 HydrophobicContact CG2-CE 4.38Å; V42-M147 HydrophobicContact CG2-SD 3.84Å; C45-M147 HydrophobicContact CB-CE 3.81Å; P47-M147 HydrophobicContact CB-CB 3.65Å; P47-M147 HydrophobicContact CG-CB 3.77Å; P47-M147 HydrophobicContact CG-CE 3.93Å; P47-M147 HydrophobicContact CG-SD 4.37Å; N49-M147 PolarHBondContact O-N 3.28Å; V50-M147 CarbonylContact C-O 3.53Å; V50-M147 WeakPolarHBondContact CA-O 3.43Å; H51-M147 PolarHBondContact N-O 3.49Å; M142-M147 HydrophobicContact CE-CE 4.1Å; M142-M147 HydrophobicContact SD-CB 3.93Å; M142-M147 HydrophobicContact SD-CE 3.35Å; M142-M147 WeakPolarHBondContact SD-CE 3.39Å; M142-M147 HydrophobicContact SD-CG 4.05Å; M147-V168 HydrophobicContact CG-CB 4.02Å; M147-V168 HydrophobicContact CG-CG1 4.47Å; M147-V168 HydrophobicContact SD-CB 3.98Å; M147-V168 HydrophobicContact SD-CG1 4.09Å; M147-T169 CarbonylContact C-O 3.48Å; M147-T169 WeakPolarHBondContact CA-O 3.46Å
148	Y	98.7	Very high	97.7	Very high	13 Å²	13	16.9 Å²	16.9	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.2	171.4	-60.4	-92.5	0	0	0	109.7	H51 V53 E66 T146 V168 T169 P172 V175	H51-Y148 HydrophobicContact CB-CD1 3.92Å; H51-Y148 HydrophobicContact CB-CE1 4.23Å; H51-Y148 AromaticContact CD2-CD1 3.68Å; H51-Y148 CarbonylContact O-C 3.59Å; H51-Y148 VanDerWaalsContact O-CA 3.3Å; H51-Y148 WeakPolarHBondContact O-CA 3.43Å; V53-Y148 HydrophobicContact CG2-CD1 4.29Å; E66-Y148 PolarHBondContact OE2-OH 3.02Å; T146-Y148 HydrophobicContact CG2-CD1 4.48Å; T146-Y148 HydrophobicContact CG2-CD2 4.31Å; T146-Y148 HydrophobicContact CG2-CE1 4.22Å; T146-Y148 HydrophobicContact CG2-CE2 4.03Å; Y148-V168 CarbonylContact O-C 3.57Å; Y148-V168 VanDerWaalsContact O-CA 3.26Å; Y148-V168 WeakPolarHBondContact O-CA 3.15Å; Y148-T169 PolarHBondContact N-O 2.93Å; Y148-T169 PolarHBondContact O-N 3.21Å; Y148-P172 HydrophobicContact CE2-CB 4.19Å; Y148-P172 HydrophobicContact CE2-CG 4.42Å; Y148-V175 HydrophobicContact CD1-CG2 3.82Å; Y148-V175 HydrophobicContact CD2-CG2 3.97Å; Y148-V175 HydrophobicContact CG-CG2 3.5Å; Y148-V175 VanDerWaalsContact CG-CG2 3.5Å
149	V	98.7	Very high	97.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.1	173.6	-174.6	0	0	0	0	107.9	V38 V50 H51 V52 V53 P151 V166 V168	V38-V149 HydrophobicContact CG1-CG2 3.89Å; V38-V149 HydrophobicContact CG2-CB 4.44Å; V38-V149 HydrophobicContact CG2-CG1 3.68Å; V38-V149 HydrophobicContact CG2-CG2 3.84Å; V50-V149 HydrophobicContact CG1-CG2 3.82Å; H51-V149 PolarHBondContact O-N 3.38Å; V52-V149 HydrophobicContact CG2-CB 4.28Å; V52-V149 HydrophobicContact CG2-CG2 4.4Å; V53-V149 WeakPolarHBondContact CB-O 3.41Å; V53-V149 WeakPolarHBondContact CG2-O 3.38Å; V53-V149 PolarHBondContact N-O 3.16Å; V149-P151 VanDerWaalsContact O-CD 3.22Å; V149-P151 WeakPolarHBondContact O-CD 3.39Å; V149-V166 HydrophobicContact CG1-CG1 3.71Å; V149-V168 HydrophobicContact CG2-CG1 4.3Å
150	I	98.6	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	95.8	-173.8	-56.2	170.9	0	0	0	109	V53 F152 V166 Q167 T169 V174 V175 M178 M184	V53-I150 HydrophobicContact CG2-CG1 4.1Å; I150-F152 HydrophobicContact CG2-CB 4.45Å; I150-F152 HydrophobicContact CG2-CD1 4.39Å; I150-F152 WeakPolarHBondContact O-CD1 3.35Å; I150-V166 CarbonylContact O-C 3.51Å; I150-V166 WeakPolarHBondContact O-CA 3.39Å; I150-Q167 HydrophobicContact CB-CB 4.17Å; I150-Q167 WeakPolarHBondContact CB-O 3.49Å; I150-Q167 HydrophobicContact CD1-CG 4.46Å; I150-Q167 PolarHBondContact N-O 3.12Å; I150-Q167 PolarHBondContact O-N 2.93Å; I150-T169 HydrophobicContact CD1-CG2 3.59Å; I150-T169 HydrophobicContact CG1-CG2 4.39Å; I150-V174 HydrophobicContact CD1-CG1 4.46Å; I150-V175 HydrophobicContact CD1-CB 4.33Å; I150-V175 HydrophobicContact CD1-CG2 3.89Å; I150-V175 HydrophobicContact CG1-CG2 4.27Å; I150-M178 HydrophobicContact CD1-CB 4.39Å; I150-M178 HydrophobicContact CD1-CG 4.39Å; I150-M178 HydrophobicContact CG2-CB 4.39Å; I150-M184 HydrophobicContact CG2-CG 3.68Å; I150-M184 HydrophobicContact CG2-SD 3.43Å; I150-M184 WeakPolarHBondContact CG2-SD 3.33Å
151	P	98.4	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.6	166.2	30.2	-31.7	0	0	0	109.2	V149 M184 G185 V188 L189 L192	V149-P151 VanDerWaalsContact O-CD 3.22Å; V149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-M184 WeakPolarHBondContact O-CA 3.45Å; P151-G185 PolarHBondContact O-N 3.14Å; P151-V188 HydrophobicContact CB-CB 4.31Å; P151-V188 HydrophobicContact CB-CG1 4.14Å; P151-L189 HydrophobicContact CB-CD2 3.7Å; P151-L189 HydrophobicContact CB-CG 3.82Å; P151-L189 HydrophobicContact CG-CD1 4.02Å; P151-L189 HydrophobicContact CG-CD2 3.77Å; P151-L189 HydrophobicContact CG-CG 3.56Å; P151-L192 HydrophobicContact CB-CD1 4.35Å
152	F	98.8	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.8	-178.1	71	-85.9	0	0	0	113.8	I150 M154 Y164 G165 Q167 M178 T182 R183 F255	I150-F152 HydrophobicContact CG2-CB 4.45Å; I150-F152 HydrophobicContact CG2-CD1 4.39Å; I150-F152 WeakPolarHBondContact O-CD1 3.35Å; F152-M154 HydrophobicContact CD2-CG 4.14Å; F152-M154 HydrophobicContact CD2-SD 3.8Å; F152-M154 HydrophobicContact CE2-CG 3.77Å; F152-M154 HydrophobicContact CE2-SD 3.62Å; F152-Y164 WeakPolarHBondContact O-CA 3.46Å; F152-G165 WeakPolarHBondContact CD1-O 3.3Å; F152-G165 VanDerWaalsContact CE1-C 3.45Å; F152-G165 PolarHBondContact N-O 2.73Å; F152-G165 PolarHBondContact O-N 3.49Å; F152-Q167 HydrophobicContact CD1-CB 4.35Å; F152-Q167 HydrophobicContact CE1-CB 3.91Å; F152-M178 HydrophobicContact CB-CE 4.46Å; F152-M178 HydrophobicContact CD1-CE 3.84Å; F152-M178 HydrophobicContact CD2-CE 4.04Å; F152-M178 HydrophobicContact CE1-CE 4.05Å; F152-M178 HydrophobicContact CE2-CE 4.21Å; F152-M178 HydrophobicContact CG-CE 3.85Å; F152-M178 HydrophobicContact CZ-CE 4.23Å; F152-T182 WeakPolarHBondContact CB-OG1 3.46Å; F152-T182 HydrophobicContact CD2-CG2 3.93Å; F152-T182 HydrophobicContact CG-CG2 4.46Å; F152-R183 CarbonylContact C-O 3.58Å; F152-R183 VanDerWaalsContact CA-O 3.27Å; F152-R183 WeakPolarHBondContact CA-O 3.4Å; F152-F255 AromaticContact CE2-CD1 3.7Å; F152-F255 HydrophobicContact CE2-CD1 3.7Å; F152-F255 HydrophobicContact CE2-CE1 4.05Å; F152-F255 AromaticContact CZ-CD1 3.87Å; F152-F255 HydrophobicContact CZ-CD1 3.87Å; F152-F255 HydrophobicContact CZ-CE1 4.34Å
153	S	98.8	Very high	96.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132	173.6	-177.9	0	0	0	0	109.8	G155 R183	S153-G155 PolarHBondContact OG-O 2.77Å; S153-R183 PolarHBondContact N-O 3.06Å; S153-R183 PolarHBondContact O-N 3Å
154	M	98.6	Very high	96.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.2	163.4	-60.9	-53	-55.3	0	0	107.4	F152 S162 K163 T182 G251 F255 A256 W323 P337 E338	F152-M154 HydrophobicContact CD2-CG 4.14Å; F152-M154 HydrophobicContact CD2-SD 3.8Å; F152-M154 HydrophobicContact CE2-CG 3.77Å; F152-M154 HydrophobicContact CE2-SD 3.62Å; M154-S162 WeakPolarHBondContact O-CA 3.3Å; M154-S162 WeakPolarHBondContact O-CB 3.42Å; M154-S162 PolarHBondContact O-OG 3.44Å; M154-K163 PolarHBondContact N-O 3.21Å; M154-K163 PolarHBondContact O-N 3.04Å; M154-K163 VanDerWaalsContact O-N 3.09Å; M154-T182 HydrophobicContact SD-CG2 3.72Å; M154-G251 VanDerWaalsContact CE-O 3.25Å; M154-G251 WeakPolarHBondContact CE-O 3.41Å; M154-F255 HydrophobicContact CB-CE1 4.33Å; M154-F255 HydrophobicContact CG-CD1 3.52Å; M154-F255 HydrophobicContact CG-CE1 3.53Å; M154-F255 HydrophobicContact CG-CG 4.37Å; M154-F255 HydrophobicContact CG-CZ 4.38Å; M154-F255 HydrophobicContact SD-CD1 4.49Å; M154-A256 HydrophobicContact CE-CB 3.76Å; M154-W323 HydrophobicContact CB-CH2 3.32Å; M154-W323 HydrophobicContact CB-CZ2 4.01Å; M154-W323 HydrophobicContact CB-CZ3 3.85Å; M154-W323 HydrophobicContact CG-CH2 4.17Å; M154-W323 WeakPolarHBondContact O-CZ3 3.21Å; M154-P337 CarbonylContact C-O 3.59Å; M154-P337 WeakPolarHBondContact CA-O 3.4Å; M154-P337 HydrophobicContact CB-CB 4.05Å; M154-P337 HydrophobicContact CE-CB 3.95Å; M154-P337 HydrophobicContact CE-CG 4.5Å; M154-E338 HydrophobicContact CE-CG 4.36Å
155	G	97.6	Very high	96.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	95	166.4	-169	0	0	0	0	0	113.5	S153 V157 S162 R183 P337	S153-G155 PolarHBondContact OG-O 2.77Å; G155-V157 PolarHBondContact O-N 3.28Å; G155-S162 WeakPolarHBondContact CA-OG 3.38Å; G155-S162 PolarHBondContact O-OG 3.25Å; G155-R183 WeakPolarHBondContact O-CD 3.32Å; G155-P337 PolarHBondContact N-O 3.21Å
156	P	95.6	Very high	96.5	Very high	7 Å²	7	16.2 Å²	16.2	5%	0.045	10%	0.1	C	C	.	.	S	Bend	trans	-54.3	132.9	176.7	-25.1	35.2	0	0	0	111.6	G158 S159 S162 E429 E431	P156-G158 PolarHBondContact O-N 2.82Å; P156-S159 WeakPolarHBondContact O-CB 3.26Å; P156-S159 PolarHBondContact O-N 2.92Å; P156-S162 WeakPolarHBondContact O-CB 3.31Å; P156-S162 PolarHBondContact O-OG 3.26Å; P156-E429 HydrophobicContact CG-CB 4.07Å; P156-E429 VanDerWaalsContact CG-O 3.26Å; P156-E429 WeakPolarHBondContact CG-O 3.39Å; P156-E431 HydrophobicContact CB-CG 4.49Å
157	V	94.7	Very high	96.5	Very high	46 Å²	46	14.5 Å²	14.5	28%	0.279	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	113.7	-177.1	-178	0	0	0	0	109.3	G155 R183 V188 K191	G155-V157 PolarHBondContact O-N 3.28Å; V157-R183 HydrophobicContact CG2-CB 4Å; V157-V188 HydrophobicContact CG2-CG2 4.28Å; V157-K191 HydrophobicContact CG1-CG 3.9Å
158	G	88.1	Confident	96.5	Very high	32 Å²	32	14.5 Å²	14.5	33%	0.33	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	112	-19.7	-177.7	0	0	0	0	0	114.3	P156	P156-G158 PolarHBondContact O-N 2.82Å
159	S	90.6	Very high	96.5	Very high	6 Å²	6	13.9 Å²	13.9	4%	0.042	9%	0.087	C	C	.	.			trans	-58.9	141	174.3	174.7	0	0	0	0	111.5	P156 L161 S162 E431	P156-S159 WeakPolarHBondContact O-CB 3.26Å; P156-S159 PolarHBondContact O-N 2.92Å; S159-L161 PolarHBondContact O-N 3.09Å; S159-L161 PolarHBondContact OG-N 3.08Å; S159-S162 WeakPolarHBondContact CB-OG 3.42Å; S159-S162 WeakPolarHBondContact O-CB 3.36Å; S159-S162 PolarHBondContact O-N 3.04Å; S159-E431 WeakPolarHBondContact CB-O 3.28Å; S159-E431 PolarHBondContact OG-O 3.25Å
160	T	88.9	Confident	96.5	Very high	123 Å²	123	14 Å²	14	76%	0.755	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.7	174.6	63.2	0	0	0	0	113.7
161	L	92.6	Very high	96.5	Very high	11 Å²	11	14 Å²	14	6%	0.058	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13.5	174.3	-67	178	0	0	0	112.8	S159 W323 K325 I335	S159-L161 PolarHBondContact O-N 3.09Å; S159-L161 PolarHBondContact OG-N 3.08Å; L161-W323 VanDerWaalsContact O-CE3 3.22Å; L161-W323 VanDerWaalsContact O-CZ3 3.29Å; L161-W323 WeakPolarHBondContact O-CZ3 3.14Å; L161-K325 HydrophobicContact CD2-CB 3.61Å; L161-K325 HydrophobicContact CD2-CD 3.64Å; L161-K325 HydrophobicContact CD2-CG 4.28Å; L161-I335 HydrophobicContact CB-CD1 3.56Å; L161-I335 HydrophobicContact CB-CG1 3.98Å; L161-I335 HydrophobicContact CD1-CG1 4.06Å; L161-I335 HydrophobicContact CD1-CG2 3.96Å
162	S	96.3	Very high	96.5	Very high	10 Å²	10	14.8 Å²	14.8	7%	0.07	9%	0.093	C	C	.	.			trans	-68.6	145.7	-178.4	-71.3	0	0	0	0	111.8	M154 G155 P156 S159	M154-S162 WeakPolarHBondContact O-CA 3.3Å; M154-S162 WeakPolarHBondContact O-CB 3.42Å; M154-S162 PolarHBondContact O-OG 3.44Å; G155-S162 WeakPolarHBondContact CA-OG 3.38Å; G155-S162 PolarHBondContact O-OG 3.25Å; P156-S162 WeakPolarHBondContact O-CB 3.31Å; P156-S162 PolarHBondContact O-OG 3.26Å; S159-S162 WeakPolarHBondContact CB-OG 3.42Å; S159-S162 WeakPolarHBondContact O-CB 3.36Å; S159-S162 PolarHBondContact O-N 3.04Å
163	K	98.2	Very high	96.5	Very high	43 Å²	43	14.9 Å²	14.9	19%	0.187	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.6	172.8	-52.5	-69.1	-179.6	-175.2	0	108.8	M154 F255 E267 W323	M154-K163 PolarHBondContact N-O 3.21Å; M154-K163 PolarHBondContact O-N 3.04Å; M154-K163 VanDerWaalsContact O-N 3.09Å; K163-F255 HydrophobicContact CB-CE1 4.39Å; K163-F255 HydrophobicContact CB-CE2 4.16Å; K163-F255 HydrophobicContact CB-CZ 3.49Å; K163-F255 VanDerWaalsContact CB-CZ 3.49Å; K163-E267 VanDerWaalsContact NZ-CD 3.31Å; K163-E267 IonicContact NZ-OE1 2.84Å; K163-E267 PolarHBondContact NZ-OE1 2.84Å; K163-E267 VanDerWaalsContact NZ-OE1 3.08Å; K163-E267 IonicContact NZ-OE2 2.72Å; K163-E267 PolarHBondContact NZ-OE2 2.92Å; K163-W323 HydrophobicContact CB-CH2 3.79Å; K163-W323 HydrophobicContact CB-CZ3 3.95Å; K163-W323 HydrophobicContact CG-CH2 3.78Å; K163-W323 HydrophobicContact CG-CZ3 3.67Å
164	Y	98.6	Very high	96.5	Very high	13 Å²	13	14.9 Å²	14.9	5%	0.051	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	154.6	-176.4	-55	-73	0	0	0	111.4	F152 V188 K191 L192 Q196 F198 V199	F152-Y164 WeakPolarHBondContact O-CA 3.46Å; Y164-V188 HydrophobicContact CD1-CG1 3.79Å; Y164-K191 HydrophobicContact CD1-CB 4.5Å; Y164-K191 HydrophobicContact CE1-CB 3.92Å; Y164-K191 HydrophobicContact CE1-CG 4.04Å; Y164-K191 HydrophobicContact CE2-CB 4.14Å; Y164-K191 WeakPolarHBondContact OH-CG 3.46Å; Y164-L192 HydrophobicContact CG-CD2 4.42Å; Y164-Q196 HydrophobicContact CD2-CB 3.68Å; Y164-Q196 HydrophobicContact CD2-CG 4.14Å; Y164-Q196 HydrophobicContact CE2-CB 3.84Å; Y164-Q196 HydrophobicContact CE2-CG 3.75Å; Y164-F198 VanDerWaalsContact O-CA 3.29Å; Y164-F198 WeakPolarHBondContact O-CA 3.37Å; Y164-V199 PolarHBondContact O-N 3.34Å
165	G	98.6	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.4	173.8	0	0	0	0	0	111.5	F152 V199	F152-G165 WeakPolarHBondContact CD1-O 3.3Å; F152-G165 VanDerWaalsContact CE1-C 3.45Å; F152-G165 PolarHBondContact N-O 2.73Å; F152-G165 PolarHBondContact O-N 3.49Å; G165-V199 VanDerWaalsContact CA-O 3.28Å; G165-V199 WeakPolarHBondContact CA-O 3.36Å
166	V	98.8	Very high	96.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115	168.8	180	0	0	0	0	107.8	V34 F37 V149 I150 L192 F198 V199 C201	V34-V166 HydrophobicContact CG1-CG1 4.18Å; V34-V166 HydrophobicContact CG1-CG2 4.15Å; V34-V166 HydrophobicContact CG2-CG2 4.13Å; F37-V166 HydrophobicContact CD1-CB 4.3Å; F37-V166 HydrophobicContact CD1-CG1 4.08Å; F37-V166 HydrophobicContact CE1-CB 4.24Å; F37-V166 HydrophobicContact CE1-CG1 4.02Å; F37-V166 WeakPolarHBondContact CE1-O 3.28Å; V149-V166 HydrophobicContact CG1-CG1 3.71Å; I150-V166 CarbonylContact O-C 3.51Å; I150-V166 WeakPolarHBondContact O-CA 3.39Å; V166-L192 HydrophobicContact CG2-CD1 3.61Å; V166-F198 HydrophobicContact CB-CD2 3.8Å; V166-F198 HydrophobicContact CB-CE2 3.91Å; V166-F198 HydrophobicContact CG2-CD2 3.57Å; V166-F198 HydrophobicContact CG2-CE2 3.86Å; V166-F198 HydrophobicContact CG2-CG 4.09Å; V166-V199 PolarHBondContact N-O 2.87Å; V166-C201 WeakPolarHBondContact O-CB 3.29Å; V166-C201 PolarHBondContact O-N 2.92Å
167	Q	98.9	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	175.9	178.1	170.7	-6.4	0	0	111.7	I150 F152 C201 S248 L250	I150-Q167 HydrophobicContact CB-CB 4.17Å; I150-Q167 WeakPolarHBondContact CB-O 3.49Å; I150-Q167 HydrophobicContact CD1-CG 4.46Å; I150-Q167 PolarHBondContact N-O 3.12Å; I150-Q167 PolarHBondContact O-N 2.93Å; F152-Q167 HydrophobicContact CD1-CB 4.35Å; F152-Q167 HydrophobicContact CE1-CB 3.91Å; Q167-C201 CarbonylContact C-O 3.6Å; Q167-C201 WeakPolarHBondContact CA-O 3.49Å; Q167-C201 HydrophobicContact CB-CB 3.73Å; Q167-C201 HydrophobicContact CG-CB 4.07Å; Q167-S248 PolarHBondContact NE2-O 3Å; Q167-L250 HydrophobicContact CG-CD1 4.36Å
168	V	98.9	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.8	164.8	-59.4	0	0	0	0	110.1	F37 V38 A41 M147 Y148 V149 C201 Q202 H203	F37-V168 HydrophobicContact CE1-CG1 3.94Å; F37-V168 HydrophobicContact CE1-CG2 4.49Å; F37-V168 HydrophobicContact CZ-CG1 4.36Å; F37-V168 HydrophobicContact CZ-CG2 4.1Å; V38-V168 HydrophobicContact CG2-CG1 4.25Å; A41-V168 HydrophobicContact CB-CG2 3.95Å; M147-V168 HydrophobicContact CG-CB 4.02Å; M147-V168 HydrophobicContact CG-CG1 4.47Å; M147-V168 HydrophobicContact SD-CB 3.98Å; M147-V168 HydrophobicContact SD-CG1 4.09Å; Y148-V168 CarbonylContact O-C 3.57Å; Y148-V168 VanDerWaalsContact O-CA 3.26Å; Y148-V168 WeakPolarHBondContact O-CA 3.15Å; V149-V168 HydrophobicContact CG2-CG1 4.3Å; V168-C201 PolarHBondContact N-O 3.28Å; V168-Q202 HydrophobicContact CG2-CB 3.91Å; V168-Q202 HydrophobicContact CG2-CG 3.78Å; V168-H203 PolarHBondContact O-N 2.85Å
169	T	98.9	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.3	-177.1	-178.7	0	0	0	0	111.9	M147 Y148 I150 S171 V174 V175 H203	M147-T169 CarbonylContact C-O 3.48Å; M147-T169 WeakPolarHBondContact CA-O 3.46Å; Y148-T169 PolarHBondContact N-O 2.93Å; Y148-T169 PolarHBondContact O-N 3.21Å; I150-T169 HydrophobicContact CD1-CG2 3.59Å; I150-T169 HydrophobicContact CG1-CG2 4.39Å; T169-S171 PolarHBondContact OG1-N 2.56Å; T169-S171 VanDerWaalsContact OG1-N 3.17Å; T169-V174 HydrophobicContact CG2-CB 4.34Å; T169-V174 HydrophobicContact CG2-CG1 4.1Å; T169-V175 HydrophobicContact CG2-CG2 4.04Å; T169-H203 WeakPolarHBondContact CA-O 3.36Å; T169-H203 PolarHBondContact OG1-ND1 3.28Å
170	D	98.8	Very high	97.7	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.011	8%	0.083	C	C	.	.	S	Bend	trans	-98.8	16.6	170.9	59.9	0.5	0	0	0	113.4	M142 R145 T146 S204 L205	M142-D170 HydrophobicContact CB-CB 4.4Å; M142-D170 HydrophobicContact CE-CB 3.99Å; M142-D170 HydrophobicContact CG-CB 3.74Å; M142-D170 HydrophobicContact SD-CB 3.89Å; R145-D170 HydrophobicContact CB-CB 4.17Å; T146-D170 WeakPolarHBondContact O-CA 3.48Å; D170-S204 VanDerWaalsContact OD1-CA 3.31Å; D170-S204 WeakPolarHBondContact OD1-CA 3.25Å; D170-S204 PolarHBondContact OD2-OG 3.5Å; D170-L205 WeakPolarHBondContact OD1-CG 3.06Å; D170-L205 PolarHBondContact OD1-N 2.88Å; D170-L205 PolarHBondContact OD2-N 3.46Å
171	S	98.6	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.			trans	-118.7	111.7	-176.3	-177.5	0	0	0	0	112.2	T169 Y173 V174 V175	T169-S171 PolarHBondContact OG1-N 2.56Å; T169-S171 VanDerWaalsContact OG1-N 3.17Å; S171-Y173 VanDerWaalsContact C-N 3.27Å; S171-Y173 PolarHBondContact O-N 2.7Å; S171-V174 WeakPolarHBondContact O-CB 3.3Å; S171-V174 PolarHBondContact O-N 2.67Å; S171-V174 PolarHBondContact OG-N 2.77Å; S171-V175 PolarHBondContact O-N 2.94Å
172	P	98.1	Very high	98.4	Very high	18 Å²	18	7.3 Å²	7.3	12%	0.117	5%	0.045	C	C	.	.	H	α-helix	trans	-65.2	-28.8	173.4	15.7	-21.1	0	0	0	113.1	I63 L67 Y148 V174 V175 A176	I63-P172 HydrophobicContact CG2-CB 3.83Å; L67-P172 HydrophobicContact CD1-CB 4.37Å; L67-P172 HydrophobicContact CD2-CB 3.97Å; L67-P172 HydrophobicContact CD2-CG 3.71Å; L67-P172 HydrophobicContact CG-CB 4.03Å; L67-P172 HydrophobicContact CG-CG 4.23Å; Y148-P172 HydrophobicContact CE2-CB 4.19Å; Y148-P172 HydrophobicContact CE2-CG 4.42Å; P172-V174 VanDerWaalsContact C-N 3.3Å; P172-V174 PolarHBondContact O-N 3.42Å; P172-V175 WeakPolarHBondContact O-CB 3.21Å; P172-V175 PolarHBondContact O-N 2.88Å; P172-V175 VanDerWaalsContact O-N 3.14Å; P172-A176 PolarHBondContact O-N 2.86Å
173	Y	98.6	Very high	98.5	Very high	2 Å²	2	8 Å²	8	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-60.7	-40.8	172.9	170.2	-86.7	0	0	0	111.7	M72 A85 S171 V175 A176 S177 W219 V365 T367	M72-Y173 HydrophobicContact CE-CG 4.11Å; A85-Y173 HydrophobicContact CB-CD2 4.17Å; A85-Y173 HydrophobicContact CB-CE2 3.75Å; S171-Y173 VanDerWaalsContact C-N 3.27Å; S171-Y173 PolarHBondContact O-N 2.7Å; Y173-V175 VanDerWaalsContact C-N 3.33Å; Y173-A176 PolarHBondContact O-N 2.83Å; Y173-S177 WeakPolarHBondContact O-CB 3.21Å; Y173-S177 PolarHBondContact O-N 3.18Å; Y173-S177 PolarHBondContact O-OG 3.25Å; Y173-W219 AromaticContact CD1-CH2 3.68Å; Y173-W219 HydrophobicContact CD1-CH2 3.68Å; Y173-W219 HydrophobicContact CD1-CZ3 4.18Å; Y173-W219 HydrophobicContact CD2-CH2 4.32Å; Y173-W219 HydrophobicContact CD2-CZ3 4.08Å; Y173-W219 AromaticContact CE1-CH2 3.68Å; Y173-W219 HydrophobicContact CE1-CH2 3.68Å; Y173-W219 HydrophobicContact CE1-CZ3 4.37Å; Y173-W219 HydrophobicContact CE2-CH2 4.3Å; Y173-W219 HydrophobicContact CE2-CZ3 4.25Å; Y173-W219 HydrophobicContact CG-CH2 4.02Å; Y173-W219 HydrophobicContact CG-CZ3 4.04Å; Y173-W219 AromaticContact CZ-CH2 4Å; Y173-V365 HydrophobicContact CE2-CG1 3.9Å; Y173-T367 PolarHBondContact OH-OG1 2.97Å
174	V	98.8	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.6	-40.1	174.7	171.6	0	0	0	0	110.7	I150 T169 S171 P172 S177 M178 L249	I150-V174 HydrophobicContact CD1-CG1 4.46Å; T169-V174 HydrophobicContact CG2-CB 4.34Å; T169-V174 HydrophobicContact CG2-CG1 4.1Å; S171-V174 WeakPolarHBondContact O-CB 3.3Å; S171-V174 PolarHBondContact O-N 2.67Å; S171-V174 PolarHBondContact OG-N 2.77Å; P172-V174 VanDerWaalsContact C-N 3.3Å; P172-V174 PolarHBondContact O-N 3.42Å; V174-S177 PolarHBondContact O-N 2.89Å; V174-M178 HydrophobicContact CG1-CG 4.05Å; V174-M178 VanDerWaalsContact O-CB 3.25Å; V174-M178 WeakPolarHBondContact O-CB 3.04Å; V174-M178 VanDerWaalsContact O-CG 3.23Å; V174-M178 WeakPolarHBondContact O-CG 3.42Å; V174-M178 PolarHBondContact O-N 3.28Å; V174-L249 HydrophobicContact CG1-CD2 4.29Å
175	V	98.6	Very high	98.1	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-60.9	-50.8	176.1	-174.9	0	0	0	0	110.8	V53 I63 Y148 I150 T169 S171 P172 Y173 S177 M178 G179 M184	V53-V175 HydrophobicContact CG1-CG1 4.01Å; V53-V175 HydrophobicContact CG2-CG1 3.79Å; I63-V175 HydrophobicContact CD1-CB 4.26Å; I63-V175 HydrophobicContact CD1-CG1 3.61Å; Y148-V175 HydrophobicContact CD1-CG2 3.82Å; Y148-V175 HydrophobicContact CD2-CG2 3.97Å; Y148-V175 HydrophobicContact CG-CG2 3.5Å; Y148-V175 VanDerWaalsContact CG-CG2 3.5Å; I150-V175 HydrophobicContact CD1-CB 4.33Å; I150-V175 HydrophobicContact CD1-CG2 3.89Å; I150-V175 HydrophobicContact CG1-CG2 4.27Å; T169-V175 HydrophobicContact CG2-CG2 4.04Å; S171-V175 PolarHBondContact O-N 2.94Å; P172-V175 WeakPolarHBondContact O-CB 3.21Å; P172-V175 PolarHBondContact O-N 2.88Å; P172-V175 VanDerWaalsContact O-N 3.14Å; Y173-V175 VanDerWaalsContact C-N 3.33Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.39Å; V175-M178 PolarHBondContact O-N 2.84Å; V175-G179 PolarHBondContact O-N 3.02Å; V175-M184 HydrophobicContact CG1-CE 4.36Å; V175-M184 HydrophobicContact CG1-SD 4.4Å
176	A	98	Very high	97.9	Very high	9 Å²	9	9.3 Å²	9.3	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-59.5	-42.5	179.8	0	0	0	0	0	112	I63 L64 L67 P172 Y173 G179 I180	I63-A176 HydrophobicContact CG2-CB 4.37Å; L64-A176 HydrophobicContact CD2-CB 4.15Å; L67-A176 HydrophobicContact CD1-CB 4.45Å; P172-A176 PolarHBondContact O-N 2.86Å; Y173-A176 PolarHBondContact O-N 2.83Å; A176-G179 PolarHBondContact O-N 3.04Å; A176-I180 PolarHBondContact O-N 2.75Å
177	S	98.5	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-73.3	-37.8	179.4	-67.1	0	0	0	0	112.8	Y173 V174 V175 G179 I180 M181 L249	Y173-S177 WeakPolarHBondContact O-CB 3.21Å; Y173-S177 PolarHBondContact O-N 3.18Å; Y173-S177 PolarHBondContact O-OG 3.25Å; V174-S177 PolarHBondContact O-N 2.89Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.39Å; S177-G179 VanDerWaalsContact C-N 3.31Å; S177-G179 PolarHBondContact O-N 2.72Å; S177-I180 PolarHBondContact O-N 2.87Å; S177-M181 WeakPolarHBondContact O-CB 3.29Å; S177-M181 VanDerWaalsContact O-CG 3.31Å; S177-M181 WeakPolarHBondContact O-CG 3.25Å; S177-M181 PolarHBondContact O-N 2.86Å; S177-L249 VanDerWaalsContact CB-CD2 3.49Å
178	M	98.5	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-34.4	173.5	-76.4	-66.8	-68.9	0	0	111.9	I150 F152 V174 V175 I180 M181 T182 M184 L249	I150-M178 HydrophobicContact CD1-CB 4.39Å; I150-M178 HydrophobicContact CD1-CG 4.39Å; I150-M178 HydrophobicContact CG2-CB 4.39Å; F152-M178 HydrophobicContact CB-CE 4.46Å; F152-M178 HydrophobicContact CD1-CE 3.84Å; F152-M178 HydrophobicContact CD2-CE 4.04Å; F152-M178 HydrophobicContact CE1-CE 4.05Å; F152-M178 HydrophobicContact CE2-CE 4.21Å; F152-M178 HydrophobicContact CG-CE 3.85Å; F152-M178 HydrophobicContact CZ-CE 4.23Å; V174-M178 HydrophobicContact CG1-CG 4.05Å; V174-M178 VanDerWaalsContact O-CB 3.25Å; V174-M178 WeakPolarHBondContact O-CB 3.04Å; V174-M178 VanDerWaalsContact O-CG 3.23Å; V174-M178 WeakPolarHBondContact O-CG 3.42Å; V174-M178 PolarHBondContact O-N 3.28Å; V175-M178 PolarHBondContact O-N 2.84Å; M178-I180 PolarHBondContact O-N 2.77Å; M178-M181 PolarHBondContact O-N 2.8Å; M178-T182 HydrophobicContact CE-CG2 3.57Å; M178-T182 PolarHBondContact O-N 3.22Å; M178-T182 PolarHBondContact O-OG1 3.43Å; M178-T182 HydrophobicContact SD-CG2 4.12Å; M178-M184 HydrophobicContact CB-SD 4.46Å; M178-L249 HydrophobicContact CG-CD2 3.94Å; M178-L249 HydrophobicContact SD-CB 3.95Å; M178-L249 HydrophobicContact SD-CD2 4.18Å
179	G	97.4	Very high	97.4	Very high	28 Å²	28	13.6 Å²	13.6	29%	0.289	9%	0.088	S	C	.	.	H	α-helix	trans	-62.8	-27.8	173.2	0	0	0	0	0	113.9	V175 A176 S177 M184	V175-G179 PolarHBondContact O-N 3.02Å; A176-G179 PolarHBondContact O-N 3.04Å; S177-G179 VanDerWaalsContact C-N 3.31Å; S177-G179 PolarHBondContact O-N 2.72Å; G179-M184 VanDerWaalsContact CA-CE 3.42Å
180	I	98.5	Very high	97.2	Very high	23 Å²	23	19.3 Å²	19.3	12%	0.118	11%	0.114	C	C	.	.	H	α-helix	trans	-81.8	-46.8	171.7	-64.9	172.3	0	0	0	110.8	A176 S177 M178 N339 G340 V365 P417	A176-I180 PolarHBondContact O-N 2.75Å; S177-I180 PolarHBondContact O-N 2.87Å; M178-I180 PolarHBondContact O-N 2.77Å; I180-N339 CarbonylContact O-C 3.57Å; I180-N339 WeakPolarHBondContact O-CB 3.47Å; I180-G340 PolarHBondContact O-N 2.85Å; I180-V365 HydrophobicContact CD1-CG2 4.12Å; I180-P417 HydrophobicContact CG1-CG 4.47Å; I180-P417 HydrophobicContact CG2-CG 4.16Å
181	M	98.7	Very high	97.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-83	-15.5	-168	-66.9	-55.8	-55.2	0	0	114.6	S177 M178 L249 K252 E338 N339 G340 F342	S177-M181 WeakPolarHBondContact O-CB 3.29Å; S177-M181 VanDerWaalsContact O-CG 3.31Å; S177-M181 WeakPolarHBondContact O-CG 3.25Å; S177-M181 PolarHBondContact O-N 2.86Å; M178-M181 PolarHBondContact O-N 2.8Å; M181-L249 HydrophobicContact CG-CD1 4.17Å; M181-K252 HydrophobicContact CE-CD 4.4Å; M181-E338 HydrophobicContact CE-CB 4.41Å; M181-E338 WeakPolarHBondContact CE-OE1 3.31Å; M181-N339 PolarHBondContact O-N 2.91Å; M181-G340 WeakPolarHBondContact CE-O 3.47Å; M181-G340 VanDerWaalsContact SD-C 3.56Å; M181-F342 HydrophobicContact CE-CB 3.84Å; M181-F342 HydrophobicContact SD-CB 3.92Å
182	T	98.6	Very high	97	Very high	2 Å²	2	22 Å²	22	1%	0.012	13%	0.126	C	C	.	.	S	Bend	trans	-135.4	165.7	-178.9	68.7	0	0	0	0	111	F152 M154 M178 M184 N339	F152-T182 WeakPolarHBondContact CB-OG1 3.46Å; F152-T182 HydrophobicContact CD2-CG2 3.93Å; F152-T182 HydrophobicContact CG-CG2 4.46Å; M154-T182 HydrophobicContact SD-CG2 3.72Å; M178-T182 HydrophobicContact CE-CG2 3.57Å; M178-T182 PolarHBondContact O-N 3.22Å; M178-T182 PolarHBondContact O-OG1 3.43Å; M178-T182 HydrophobicContact SD-CG2 4.12Å; T182-M184 PolarHBondContact O-N 3.49Å; T182-N339 PolarHBondContact O-ND2 3.01Å
183	R	98	Very high	96.8	Very high	24 Å²	24	26.2 Å²	26.2	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.3	166.6	-69.2	126.6	-172.7	114.2	0.6	107.6	F152 S153 G155 V157 V188 P337 E338 N339 E429	F152-R183 CarbonylContact C-O 3.58Å; F152-R183 VanDerWaalsContact CA-O 3.27Å; F152-R183 WeakPolarHBondContact CA-O 3.4Å; S153-R183 PolarHBondContact N-O 3.06Å; S153-R183 PolarHBondContact O-N 3Å; G155-R183 WeakPolarHBondContact O-CD 3.32Å; V157-R183 HydrophobicContact CG2-CB 4Å; R183-V188 WeakPolarHBondContact O-CG2 3.35Å; R183-P337 PolarHBondContact NH1-O 3.33Å; R183-E338 PolarHBondContact NH1-O 3.26Å; R183-E338 PolarHBondContact NH2-O 2.9Å; R183-N339 HydrophobicContact CG-CB 4.4Å; R183-N339 PolarHBondContact NH2-OD1 3.06Å; R183-E429 IonicContact CZ-OE1 3.47Å; R183-E429 IonicContact NE-OE1 3.56Å; R183-E429 PolarHBondContact NE-OE1 3.45Å; R183-E429 IonicContact NH2-OE1 3.8Å; R183-E429 PolarHBondContact NH2-OE1 3.47Å
184	M	94.8	Very high	96.6	Very high	24 Å²	24	30.9 Å²	30.9	12%	0.118	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147	-168.5	176.9	177.7	75.7	0	0	111.6	V53 I150 P151 V175 M178 G179 T182	V53-M184 HydrophobicContact CG1-CE 3.55Å; V53-M184 HydrophobicContact CG1-CG 4.11Å; V53-M184 HydrophobicContact CG1-SD 3.67Å; I150-M184 HydrophobicContact CG2-CG 3.68Å; I150-M184 HydrophobicContact CG2-SD 3.43Å; I150-M184 WeakPolarHBondContact CG2-SD 3.33Å; P151-M184 WeakPolarHBondContact O-CA 3.45Å; V175-M184 HydrophobicContact CG1-CE 4.36Å; V175-M184 HydrophobicContact CG1-SD 4.4Å; M178-M184 HydrophobicContact CB-SD 4.46Å; G179-M184 VanDerWaalsContact CA-CE 3.42Å; T182-M184 PolarHBondContact O-N 3.49Å
185	G	94.1	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	107.9	-148.2	164.1	0	0	0	0	0	115.5	T54 P151 V188 L189	T54-G185 VanDerWaalsContact O-CA 3.27Å; T54-G185 WeakPolarHBondContact O-CA 3.14Å; P151-G185 PolarHBondContact O-N 3.14Å; G185-V188 WeakPolarHBondContact O-CB 3.35Å; G185-V188 PolarHBondContact O-N 2.88Å; G185-L189 PolarHBondContact O-N 3.08Å
186	S	93.2	Very high	96.3	Very high	60 Å²	60	38 Å²	38	42%	0.42	21%	0.211	S	C	.	.	H	α-helix	trans	-56	-40.9	-168.2	-56.7	0	0	0	0	115.6	T54 V188 L189 Q190	T54-S186 PolarHBondContact O-N 2.87Å; T54-S186 PolarHBondContact O-OG 3.01Å; S186-V188 PolarHBondContact O-N 2.9Å; S186-L189 WeakPolarHBondContact O-CB 3.39Å; S186-L189 PolarHBondContact O-N 3.32Å; S186-L189 VanDerWaalsContact O-N 3.14Å; S186-Q190 PolarHBondContact O-N 2.8Å
187	P	94.8	Very high	96.2	Very high	74 Å²	74	44.7 Å²	44.7	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-59.9	-31.9	176.5	-25.3	35.8	0	0	0	113.3
188	V	97.3	Very high	96.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-75.5	-41.2	176.1	179.2	0	0	0	0	110.9	P151 V157 Y164 R183 G185 S186 Q190 K191 L192	P151-V188 HydrophobicContact CB-CB 4.31Å; P151-V188 HydrophobicContact CB-CG1 4.14Å; V157-V188 HydrophobicContact CG2-CG2 4.28Å; Y164-V188 HydrophobicContact CD1-CG1 3.79Å; R183-V188 WeakPolarHBondContact O-CG2 3.35Å; G185-V188 WeakPolarHBondContact O-CB 3.35Å; G185-V188 PolarHBondContact O-N 2.88Å; S186-V188 PolarHBondContact O-N 2.9Å; V188-Q190 PolarHBondContact O-N 3.33Å; V188-K191 WeakPolarHBondContact O-CB 3.15Å; V188-K191 PolarHBondContact O-N 3.29Å; V188-L192 HydrophobicContact CG1-CD1 4.3Å; V188-L192 HydrophobicContact CG1-CG 4.4Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.1Å
189	L	94.9	Very high	96.2	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-39.6	174.3	-74.5	172.6	0	0	0	111.7	L30 V52 P151 G185 S186 K191 L192 Y193	L30-L189 HydrophobicContact CD2-CD2 4.21Å; V52-L189 HydrophobicContact CG1-CD1 4.12Å; P151-L189 HydrophobicContact CB-CD2 3.7Å; P151-L189 HydrophobicContact CB-CG 3.82Å; P151-L189 HydrophobicContact CG-CD1 4.02Å; P151-L189 HydrophobicContact CG-CD2 3.77Å; P151-L189 HydrophobicContact CG-CG 3.56Å; G185-L189 PolarHBondContact O-N 3.08Å; S186-L189 WeakPolarHBondContact O-CB 3.39Å; S186-L189 PolarHBondContact O-N 3.32Å; S186-L189 VanDerWaalsContact O-N 3.14Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 3.21Å; L189-L192 CarbonylContact O-C 3.58Å; L189-L192 PolarHBondContact O-N 2.91Å; L189-L192 VanDerWaalsContact O-N 3.11Å; L189-Y193 HydrophobicContact CB-CE2 4.33Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 3.34Å
190	Q	94.3	Very high	96.3	Very high	120 Å²	120	47.1 Å²	47.1	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-56.8	-45.9	174.6	-172.6	175.8	-3.3	0	0	112.1	S186 V188 L192 Y193 E194	S186-Q190 PolarHBondContact O-N 2.8Å; V188-Q190 PolarHBondContact O-N 3.33Å; Q190-L192 VanDerWaalsContact C-N 3.29Å; Q190-L192 PolarHBondContact O-N 3.37Å; Q190-Y193 WeakPolarHBondContact O-CB 3.43Å; Q190-Y193 PolarHBondContact O-N 3.1Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; Q190-E194 WeakPolarHBondContact O-CG 3.47Å; Q190-E194 PolarHBondContact O-N 3.41Å
191	K	96.4	Very high	96.3	Very high	52 Å²	52	46 Å²	46	23%	0.226	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-34.7	175.3	-64.4	-58.4	-178.8	-168.7	0	113.1	V157 Y164 V188 L189 E194 Q196	V157-K191 HydrophobicContact CG1-CG 3.9Å; Y164-K191 HydrophobicContact CD1-CB 4.5Å; Y164-K191 HydrophobicContact CE1-CB 3.92Å; Y164-K191 HydrophobicContact CE1-CG 4.04Å; Y164-K191 HydrophobicContact CE2-CB 4.14Å; Y164-K191 WeakPolarHBondContact OH-CG 3.46Å; V188-K191 WeakPolarHBondContact O-CB 3.15Å; V188-K191 PolarHBondContact O-N 3.29Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 3.21Å; K191-E194 WeakPolarHBondContact CD-OE2 3.36Å; K191-E194 IonicContact NZ-OE1 2.7Å; K191-E194 PolarHBondContact NZ-OE1 2.95Å; K191-E194 IonicContact NZ-OE2 2.73Å; K191-E194 PolarHBondContact NZ-OE2 3.4Å; K191-E194 WeakPolarHBondContact O-CB 3.34Å; K191-E194 PolarHBondContact O-N 3.03Å; K191-Q196 HydrophobicContact CB-CG 4.24Å; K191-Q196 VanDerWaalsContact O-CB 3.3Å; K191-Q196 WeakPolarHBondContact O-CB 3.42Å; K191-Q196 WeakPolarHBondContact O-CG 3.43Å; K191-Q196 PolarHBondContact O-N 2.91Å
192	L	96.3	Very high	96.3	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-31.8	174.7	-60	177.9	0	0	0	112.4	P31 V34 P151 Y164 V166 V188 L189 Q190 E194 G195 F198	P31-L192 HydrophobicContact CB-CB 4.42Å; P31-L192 HydrophobicContact CG-CB 3.83Å; V34-L192 HydrophobicContact CG2-CB 4.27Å; V34-L192 HydrophobicContact CG2-CD1 3.89Å; P151-L192 HydrophobicContact CB-CD1 4.35Å; Y164-L192 HydrophobicContact CG-CD2 4.42Å; V166-L192 HydrophobicContact CG2-CD1 3.61Å; V188-L192 HydrophobicContact CG1-CD1 4.3Å; V188-L192 HydrophobicContact CG1-CG 4.4Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.1Å; L189-L192 CarbonylContact O-C 3.58Å; L189-L192 PolarHBondContact O-N 2.91Å; L189-L192 VanDerWaalsContact O-N 3.11Å; Q190-L192 VanDerWaalsContact C-N 3.29Å; Q190-L192 PolarHBondContact O-N 3.37Å; L192-E194 VanDerWaalsContact C-N 3.3Å; L192-G195 PolarHBondContact O-N 3.01Å; L192-F198 HydrophobicContact CD2-CB 3.8Å; L192-F198 HydrophobicContact CD2-CD1 4.14Å; L192-F198 HydrophobicContact CD2-CG 4.25Å
193	Y	94.8	Very high	96.3	Very high	105 Å²	105	46 Å²	46	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-32.4	169.4	-75.4	-67	0	0	0	112.7	S29 P31 L189 Q190 G195	S29-Y193 VanDerWaalsContact C-OH 3.3Å; S29-Y193 WeakPolarHBondContact O-CE1 3.45Å; S29-Y193 PolarHBondContact O-OH 3.39Å; P31-Y193 HydrophobicContact CB-CD1 4.06Å; P31-Y193 HydrophobicContact CB-CE1 4.29Å; P31-Y193 HydrophobicContact CG-CD1 3.67Å; P31-Y193 HydrophobicContact CG-CD2 4.17Å; P31-Y193 HydrophobicContact CG-CE1 3.74Å; P31-Y193 HydrophobicContact CG-CE2 4.24Å; P31-Y193 HydrophobicContact CG-CG 3.87Å; L189-Y193 HydrophobicContact CB-CE2 4.33Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 3.34Å; Q190-Y193 WeakPolarHBondContact O-CB 3.43Å; Q190-Y193 PolarHBondContact O-N 3.1Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; Y193-G195 PolarHBondContact O-N 2.83Å
194	E	94.9	Very high	96.4	Very high	100 Å²	100	44.9 Å²	44.9	47%	0.467	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	0.2	173.4	-66.3	167	-161.1	0	0	112.8	Q190 K191 L192	Q190-E194 WeakPolarHBondContact O-CG 3.47Å; Q190-E194 PolarHBondContact O-N 3.41Å; K191-E194 WeakPolarHBondContact CD-OE2 3.36Å; K191-E194 IonicContact NZ-OE1 2.7Å; K191-E194 PolarHBondContact NZ-OE1 2.95Å; K191-E194 IonicContact NZ-OE2 2.73Å; K191-E194 PolarHBondContact NZ-OE2 3.4Å; K191-E194 WeakPolarHBondContact O-CB 3.34Å; K191-E194 PolarHBondContact O-N 3.03Å; L192-E194 VanDerWaalsContact C-N 3.3Å
195	G	94.4	Very high	96.5	Very high	58 Å²	58	43.8 Å²	43.8	60%	0.598	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	17	174.9	0	0	0	0	0	114.7	L192 Y193	L192-G195 PolarHBondContact O-N 3.01Å; Y193-G195 PolarHBondContact O-N 2.83Å
196	Q	96.1	Very high	96.7	Very high	93 Å²	93	44 Å²	44	44%	0.435	23%	0.228	S	C	.	.			trans	-65.9	136.7	175.5	-65.4	-65.7	-40.6	0	0	111.7	Y164 K191	Y164-Q196 HydrophobicContact CD2-CB 3.68Å; Y164-Q196 HydrophobicContact CD2-CG 4.14Å; Y164-Q196 HydrophobicContact CE2-CB 3.84Å; Y164-Q196 HydrophobicContact CE2-CG 3.75Å; K191-Q196 HydrophobicContact CB-CG 4.24Å; K191-Q196 VanDerWaalsContact O-CB 3.3Å; K191-Q196 WeakPolarHBondContact O-CB 3.42Å; K191-Q196 WeakPolarHBondContact O-CG 3.43Å; K191-Q196 PolarHBondContact O-N 2.91Å
197	E	96.1	Very high	97	Very high	150 Å²	150	43.1 Å²	43.1	70%	0.701	22%	0.216	S	C	*	.			trans	-66.2	150.4	172.7	-73.3	-63.4	146.8	0	0	111.3
198	F	98.4	Very high	97.1	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.5	-179.3	68.6	-83.7	0	0	0	113.2	A33 V34 F37 Y164 V166 L192 R200	A33-F198 HydrophobicContact CB-CE1 3.89Å; A33-F198 HydrophobicContact CB-CZ 4.48Å; V34-F198 HydrophobicContact CG2-CD1 4.33Å; V34-F198 HydrophobicContact CG2-CE1 3.83Å; V34-F198 HydrophobicContact CG2-CZ 3.99Å; F37-F198 HydrophobicContact CB-CE2 4.42Å; F37-F198 HydrophobicContact CB-CZ 4.3Å; F37-F198 HydrophobicContact CD1-CE2 4.1Å; F37-F198 HydrophobicContact CG-CE2 4.4Å; Y164-F198 VanDerWaalsContact O-CA 3.29Å; Y164-F198 WeakPolarHBondContact O-CA 3.37Å; V166-F198 HydrophobicContact CB-CD2 3.8Å; V166-F198 HydrophobicContact CB-CE2 3.91Å; V166-F198 HydrophobicContact CG2-CD2 3.57Å; V166-F198 HydrophobicContact CG2-CE2 3.86Å; V166-F198 HydrophobicContact CG2-CG 4.09Å; L192-F198 HydrophobicContact CD2-CB 3.8Å; L192-F198 HydrophobicContact CD2-CD1 4.14Å; L192-F198 HydrophobicContact CD2-CG 4.25Å; F198-R200 HydrophobicContact CD2-CG 4.12Å; F198-R200 HydrophobicContact CE2-CG 3.56Å; F198-R200 HydrophobicContact CZ-CG 4.24Å
199	V	98.8	Very high	97.1	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.2	170.3	180	0	0	0	0	109.6	Y164 G165 V166 R235 I237 F255 I259	Y164-V199 PolarHBondContact O-N 3.34Å; G165-V199 VanDerWaalsContact CA-O 3.28Å; G165-V199 WeakPolarHBondContact CA-O 3.36Å; V166-V199 PolarHBondContact N-O 2.87Å; V199-R235 WeakPolarHBondContact CA-O 3.45Å; V199-R235 WeakPolarHBondContact CG1-O 3.44Å; V199-R235 HydrophobicContact CG2-CB 4.36Å; V199-I237 HydrophobicContact CG1-CD1 3.9Å; V199-I237 HydrophobicContact CG1-CG1 4.16Å; V199-F255 HydrophobicContact CB-CD1 4.32Å; V199-F255 HydrophobicContact CB-CD2 4.38Å; V199-F255 HydrophobicContact CB-CE1 4.07Å; V199-F255 HydrophobicContact CB-CE2 4.16Å; V199-F255 HydrophobicContact CB-CG 4.48Å; V199-F255 HydrophobicContact CB-CZ 3.96Å; V199-F255 HydrophobicContact CG1-CD2 4.43Å; V199-F255 HydrophobicContact CG1-CG 4.45Å; V199-F255 HydrophobicContact CG2-CD1 4.46Å; V199-F255 HydrophobicContact CG2-CD2 3.86Å; V199-F255 HydrophobicContact CG2-CE1 3.97Å; V199-F255 HydrophobicContact CG2-CE2 3.31Å; V199-F255 HydrophobicContact CG2-CG 4.42Å; V199-F255 HydrophobicContact CG2-CZ 3.34Å; V199-I259 HydrophobicContact CG1-CG2 4.32Å; V199-I259 HydrophobicContact CG2-CG2 4.04Å
200	R	98.8	Very high	97.2	Very high	63 Å²	63	51 Å²	51	24%	0.238	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.3	-179.9	-70.5	165.3	-172.9	81.6	1.5	109.1	F37 F198 R235 Q236 I237	F37-R200 HydrophobicContact CD1-CG 4.39Å; F37-R200 HydrophobicContact CD2-CB 3.99Å; F37-R200 HydrophobicContact CD2-CG 3.86Å; F37-R200 HydrophobicContact CE1-CB 4.44Å; F37-R200 HydrophobicContact CE2-CB 3.76Å; F37-R200 HydrophobicContact CE2-CG 4.17Å; F37-R200 HydrophobicContact CG-CB 4.44Å; F37-R200 HydrophobicContact CG-CG 3.99Å; F37-R200 HydrophobicContact CZ-CB 4Å; F198-R200 HydrophobicContact CD2-CG 4.12Å; F198-R200 HydrophobicContact CE2-CG 3.56Å; F198-R200 HydrophobicContact CZ-CG 4.24Å; R200-R235 PolarHBondContact N-O 2.81Å; R200-Q236 HydrophobicContact CB-CG 3.94Å; R200-Q236 CarbonylContact O-C 3.48Å; R200-Q236 VanDerWaalsContact O-CA 3.32Å; R200-Q236 WeakPolarHBondContact O-CA 3.41Å; R200-I237 PolarHBondContact O-N 2.83Å
201	C	98.9	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.1	-175	-65.7	0	0	0	0	109.4	V166 Q167 V168 I237 L250	V166-C201 WeakPolarHBondContact O-CB 3.29Å; V166-C201 PolarHBondContact O-N 2.92Å; Q167-C201 CarbonylContact C-O 3.6Å; Q167-C201 WeakPolarHBondContact CA-O 3.49Å; Q167-C201 HydrophobicContact CB-CB 3.73Å; Q167-C201 HydrophobicContact CG-CB 4.07Å; V168-C201 PolarHBondContact N-O 3.28Å; C201-I237 CarbonylContact C-O 3.52Å; C201-I237 WeakPolarHBondContact CA-O 3.3Å; C201-L250 HydrophobicContact CB-CB 3.99Å; C201-L250 HydrophobicContact CB-CD1 3.7Å; C201-L250 HydrophobicContact CB-CG 4.48Å
202	Q	98.8	Very high	97.1	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.019	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.9	178.9	-179.1	170.9	-32.8	0	0	109.9	F37 E44 F138 V168 I237 M238 S239	F37-Q202 HydrophobicContact CZ-CB 4.45Å; E44-Q202 PolarHBondContact OE2-NE2 3.17Å; F138-Q202 HydrophobicContact CD1-CG 4.27Å; F138-Q202 HydrophobicContact CE1-CG 3.83Å; V168-Q202 HydrophobicContact CG2-CB 3.91Å; V168-Q202 HydrophobicContact CG2-CG 3.78Å; Q202-I237 PolarHBondContact N-O 2.88Å; Q202-M238 HydrophobicContact CB-CE 4.34Å; Q202-M238 HydrophobicContact CB-SD 3.52Å; Q202-M238 VanDerWaalsContact CB-SD 3.52Å; Q202-M238 HydrophobicContact CG-CE 4.16Å; Q202-M238 HydrophobicContact CG-SD 3.98Å; Q202-M238 CarbonylContact O-C 3.58Å; Q202-M238 VanDerWaalsContact O-CA 3.3Å; Q202-M238 WeakPolarHBondContact O-CA 3.25Å; Q202-S239 PolarHBondContact O-N 2.97Å
203	H	98.9	Very high	96.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	-176.7	170.6	-98.3	0	0	0	110.7	M142 V168 T169 S239 S242 S248 L250	M142-H203 WeakPolarHBondContact CE-O 3.22Å; V168-H203 PolarHBondContact O-N 2.85Å; T169-H203 WeakPolarHBondContact CA-O 3.36Å; T169-H203 PolarHBondContact OG1-ND1 3.28Å; H203-S239 CarbonylContact C-O 3.56Å; H203-S239 VanDerWaalsContact CA-O 3.27Å; H203-S239 WeakPolarHBondContact CA-O 3.18Å; H203-S242 PolarHBondContact NE2-O 2.94Å; H203-S248 WeakPolarHBondContact NE2-CB 3.25Å; H203-L250 HydrophobicContact CB-CD1 3.93Å
204	S	98.9	Very high	96.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142	165	174.9	0	0	0	0	111.4	C141 D170 G206 S239 F240 G241	C141-S204 WeakPolarHBondContact SG-CB 3.35Å; C141-S204 PolarHBondContact SG-OG 3.2Å; D170-S204 VanDerWaalsContact OD1-CA 3.31Å; D170-S204 WeakPolarHBondContact OD1-CA 3.25Å; D170-S204 PolarHBondContact OD2-OG 3.5Å; S204-G206 PolarHBondContact O-N 2.88Å; S204-G206 PolarHBondContact OG-N 3.03Å; S204-S239 PolarHBondContact N-O 2.88Å; S204-F240 CarbonylContact O-C 3.44Å; S204-F240 WeakPolarHBondContact O-CA 3.41Å; S204-G241 PolarHBondContact O-N 2.93Å
205	L	98.6	Very high	97	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.303	C	S	.	.			trans	-66.7	-15.4	170.7	-59.8	175.2	0	0	0	112.5	D170 P220 C221 N222 G241 G243	D170-L205 WeakPolarHBondContact OD1-CG 3.06Å; D170-L205 PolarHBondContact OD1-N 2.88Å; D170-L205 PolarHBondContact OD2-N 3.46Å; L205-P220 HydrophobicContact CB-CB 4.17Å; L205-P220 HydrophobicContact CD1-CB 3.68Å; L205-P220 HydrophobicContact CD1-CG 3.6Å; L205-P220 WeakPolarHBondContact CD2-O 3.24Å; L205-C221 CarbonylContact O-C 3.51Å; L205-N222 PolarHBondContact O-N 3.47Å; L205-G241 WeakPolarHBondContact O-CA 3.42Å; L205-G243 VanDerWaalsContact CD2-CA 3.41Å
206	G	98.1	Very high	97.1	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	71.1	31.8	175.3	0	0	0	0	0	114	S204 N222	S204-G206 PolarHBondContact O-N 2.88Å; S204-G206 PolarHBondContact OG-N 3.03Å; G206-N222 PolarHBondContact O-ND2 2.97Å; G206-N222 VanDerWaalsContact O-ND2 3.13Å
207	R	97.8	Very high	97	Very high	42 Å²	42	54.2 Å²	54.2	16%	0.158	29%	0.286	C	S	.	.			trans	-131.4	66.9	-175.8	-66.9	-65.4	-78.4	-124.7	3.6	112	R145 A213 P214 P220 C221	R145-R207 PolarHBondContact NE-O 2.88Å; R145-R207 PolarHBondContact NH2-O 3Å; R207-A213 PolarHBondContact NH2-O 2.89Å; R207-P214 PolarHBondContact NH2-O 3.4Å; R207-P220 HydrophobicContact CB-CB 4.08Å; R207-P220 HydrophobicContact CG-CB 4.21Å; R207-C221 WeakPolarHBondContact CD-O 3.46Å; R207-C221 VanDerWaalsContact CG-O 3.22Å; R207-C221 WeakPolarHBondContact CG-O 3.19Å; R207-C221 PolarHBondContact NH1-O 3.36Å
208	P	97.9	Very high	97	Very high	37 Å²	37	49.5 Å²	49.5	24%	0.24	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.9	159.6	179.2	26.5	-34.5	0	0	0	112.4	C141 A143	C141-P208 WeakPolarHBondContact O-CD 3.04Å; A143-P208 HydrophobicContact CB-CB 3.95Å
209	F	97.1	Very high	97	Very high	101 Å²	101	49 Å²	49	44%	0.443	27%	0.267	S	S	.	.	S	Bend	trans	-90.6	151.2	171.3	-69	-62	0	0	0	112.2	A143 G144 R145 L211	A143-F209 PolarHBondContact O-N 3.34Å; G144-F209 WeakPolarHBondContact O-CD2 3.48Å; R145-F209 HydrophobicContact CG-CD2 3.88Å; R145-F209 HydrophobicContact CG-CE2 3.86Å; F209-L211 HydrophobicContact CD1-CD2 3.89Å; F209-L211 HydrophobicContact CD1-CG 3.76Å; F209-L211 HydrophobicContact CE1-CD1 4.17Å; F209-L211 HydrophobicContact CE1-CD2 3.77Å; F209-L211 HydrophobicContact CE1-CG 3.69Å
210	P	97.3	Very high	97	Very high	118 Å²	118	49.1 Å²	49.1	77%	0.766	27%	0.268	S	S	*	.	S	Bend	cis	-64.3	148.5	-10	29	-35.4	0	0	0	111.7	K212	P210-K212 PolarHBondContact O-N 3.29Å
211	L	96.1	Very high	97	Very high	65 Å²	65	46.2 Å²	46.2	34%	0.34	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-64	131.9	-176.8	-66	178.7	0	0	0	110.8	F209 A213 L215	F209-L211 HydrophobicContact CD1-CD2 3.89Å; F209-L211 HydrophobicContact CD1-CG 3.76Å; F209-L211 HydrophobicContact CE1-CD1 4.17Å; F209-L211 HydrophobicContact CE1-CD2 3.77Å; F209-L211 HydrophobicContact CE1-CG 3.69Å; L211-A213 VanDerWaalsContact C-N 3.35Å; L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CD2 4.16Å; L211-L215 HydrophobicContact CD1-CG 3.89Å; L211-L215 HydrophobicContact CD2-CD2 4.35Å
212	K	92.3	Very high	96.9	Very high	203 Å²	203	47.8 Å²	47.8	88%	0.883	27%	0.265	S	S	*	.	S	Bend	trans	-78.2	-18.6	175.1	-65	-176.7	178.5	-179.1	0	113.9	P210	P210-K212 PolarHBondContact O-N 3.29Å
213	A	91.3	Very high	96.8	Very high	44 Å²	44	48.7 Å²	48.7	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-153.1	154.1	177.2	0	0	0	0	0	109.9	R207 L211	R207-A213 PolarHBondContact NH2-O 2.89Å; L211-A213 VanDerWaalsContact C-N 3.35Å
214	P	94.8	Very high	96.6	Very high	118 Å²	118	55.1 Å²	55.1	77%	0.766	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-55.2	154.5	173.6	-23.5	33.8	0	0	0	112.2	R207	R207-P214 PolarHBondContact NH2-O 3.4Å
215	L	96.9	Very high	96.5	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.288	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-87.9	143.1	171	-56.6	-174.6	0	0	0	109.4	L211 P220	L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CD2 4.16Å; L211-L215 HydrophobicContact CD1-CG 3.89Å; L211-L215 HydrophobicContact CD2-CD2 4.35Å; L215-P220 HydrophobicContact CD1-CB 4.42Å; L215-P220 HydrophobicContact CD1-CG 4.17Å; L215-P220 HydrophobicContact CD2-CB 4.26Å
216	V	97	Very high	96.5	Very high	65 Å²	65	58.6 Å²	58.6	39%	0.394	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-90.8	129.5	166.4	-179.2	0	0	0	0	107.1	D88 S218 W219	D88-V216 HydrophobicContact CB-CB 4.27Å; D88-V216 WeakPolarHBondContact OD2-CB 3.44Å; V216-S218 PolarHBondContact O-N 2.74Å; V216-W219 WeakPolarHBondContact O-CB 3.25Å; V216-W219 PolarHBondContact O-N 3.14Å
217	N	95.2	Very high	96.6	Very high	53 Å²	53	59.1 Å²	59.1	28%	0.283	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.6	-179.6	-59.9	-26.2	0	0	0	114.6	R86 T87 W219	R86-N217 HydrophobicContact CB-CB 4.16Å; R86-N217 WeakPolarHBondContact O-CB 3.44Å; T87-N217 PolarHBondContact O-ND2 3.02Å; N217-W219 PolarHBondContact O-N 3.22Å
218	S	96.4	Very high	96.6	Very high	51 Å²	51	57.1 Å²	57.1	36%	0.357	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	21.9	-173.5	-60.9	0	0	0	0	114	G71 V216 P220	G71-S218 WeakPolarHBondContact O-CB 3.34Å; V216-S218 PolarHBondContact O-N 2.74Å; S218-P220 WeakPolarHBondContact O-CD 3.49Å
219	W	98.1	Very high	96.6	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-100.7	108.8	-175.9	-171.9	-95.6	0	0	0	111	M72 A85 T87 D88 D91 Y173 V216 N217 C221 G243	M72-W219 HydrophobicContact CE-CD2 4.11Å; M72-W219 HydrophobicContact CE-CE3 3.35Å; M72-W219 HydrophobicContact CE-CH2 4.01Å; M72-W219 HydrophobicContact CE-CZ3 3.29Å; M72-W219 HydrophobicContact CG-CE3 4.3Å; A85-W219 HydrophobicContact CB-CZ3 4.38Å; T87-W219 HydrophobicContact CG2-CD2 3.79Å; T87-W219 HydrophobicContact CG2-CE3 3.9Å; T87-W219 HydrophobicContact CG2-CG 4.5Å; T87-W219 HydrophobicContact CG2-CH2 3.76Å; T87-W219 HydrophobicContact CG2-CZ2 3.61Å; T87-W219 HydrophobicContact CG2-CZ3 3.89Å; D88-W219 HydrophobicContact CB-CB 4.49Å; D91-W219 PolarHBondContact OD2-NE1 3.5Å; Y173-W219 AromaticContact CD1-CH2 3.68Å; Y173-W219 HydrophobicContact CD1-CH2 3.68Å; Y173-W219 HydrophobicContact CD1-CZ3 4.18Å; Y173-W219 HydrophobicContact CD2-CH2 4.32Å; Y173-W219 HydrophobicContact CD2-CZ3 4.08Å; Y173-W219 AromaticContact CE1-CH2 3.68Å; Y173-W219 HydrophobicContact CE1-CH2 3.68Å; Y173-W219 HydrophobicContact CE1-CZ3 4.37Å; Y173-W219 HydrophobicContact CE2-CH2 4.3Å; Y173-W219 HydrophobicContact CE2-CZ3 4.25Å; Y173-W219 HydrophobicContact CG-CH2 4.02Å; Y173-W219 HydrophobicContact CG-CZ3 4.04Å; Y173-W219 AromaticContact CZ-CH2 4Å; V216-W219 WeakPolarHBondContact O-CB 3.25Å; V216-W219 PolarHBondContact O-N 3.14Å; N217-W219 PolarHBondContact O-N 3.22Å; W219-C221 PolarHBondContact O-N 3.33Å; W219-G243 VanDerWaalsContact CZ2-C 3.45Å
220	P	97.9	Very high	96.7	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.045	29%	0.285	C	S	.	.			trans	-76.2	122.4	176.8	0.4	16.7	0	0	0	109.8	L205 R207 L215 S218	L205-P220 HydrophobicContact CB-CB 4.17Å; L205-P220 HydrophobicContact CD1-CB 3.68Å; L205-P220 HydrophobicContact CD1-CG 3.6Å; L205-P220 WeakPolarHBondContact CD2-O 3.24Å; R207-P220 HydrophobicContact CB-CB 4.08Å; R207-P220 HydrophobicContact CG-CB 4.21Å; L215-P220 HydrophobicContact CD1-CB 4.42Å; L215-P220 HydrophobicContact CD1-CG 4.17Å; L215-P220 HydrophobicContact CD2-CB 4.26Å; S218-P220 WeakPolarHBondContact O-CD 3.49Å
221	C	98.1	Very high	96.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	25%	0.253	C	S	.	.			trans	-151	163.9	169.9	64.8	0	0	0	0	110.8	D88 D91 L205 R207 W219 G241	D88-C221 VanDerWaalsContact CB-SG 3.55Å; D91-C221 HydrophobicContact CB-CB 4.04Å; L205-C221 CarbonylContact O-C 3.51Å; R207-C221 WeakPolarHBondContact CD-O 3.46Å; R207-C221 VanDerWaalsContact CG-O 3.22Å; R207-C221 WeakPolarHBondContact CG-O 3.19Å; R207-C221 PolarHBondContact NH1-O 3.36Å; W219-C221 PolarHBondContact O-N 3.33Å; C221-G241 WeakPolarHBondContact CB-O 3.26Å
222	N	97.8	Very high	96.8	Very high	33 Å²	33	42.8 Å²	42.8	18%	0.176	24%	0.237	C	C	.	.			trans	-130.2	74.6	174.8	-168.4	-23.8	0	0	0	110.2	L205 G206 D224 K225 V226 F240 G241	L205-N222 PolarHBondContact O-N 3.47Å; G206-N222 PolarHBondContact O-ND2 2.97Å; G206-N222 VanDerWaalsContact O-ND2 3.13Å; N222-D224 PolarHBondContact O-N 3Å; N222-K225 PolarHBondContact O-N 2.78Å; N222-K225 PolarHBondContact OD1-N 3.45Å; N222-V226 WeakPolarHBondContact O-CG2 3.4Å; N222-V226 PolarHBondContact O-N 3.43Å; N222-F240 HydrophobicContact CB-CE1 4.32Å; N222-G241 CarbonylContact C-O 3.53Å; N222-G241 PolarHBondContact N-O 3.13Å
223	P	96.2	Very high	96.9	Very high	24 Å²	24	37.4 Å²	37.4	16%	0.156	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-56.7	-34.3	-172.9	-27.3	36.8	0	0	0	113.9	K90 K98	K90-P223 HydrophobicContact CB-CB 3.85Å; K90-P223 HydrophobicContact CB-CG 3.52Å; K90-P223 HydrophobicContact CD-CB 4.25Å; K90-P223 HydrophobicContact CD-CG 4Å; K90-P223 HydrophobicContact CG-CG 4.43Å; K98-P223 PolarHBondContact NZ-O 3.23Å
224	D	95.5	Very high	97.1	Very high	134 Å²	134	38.5 Å²	38.5	72%	0.717	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-67	-40.5	-177	-60.6	-27.1	0	0	0	111.1	K98 N222	K98-D224 PolarHBondContact NZ-O 2.73Å; N222-D224 PolarHBondContact O-N 3Å
225	K	97.1	Very high	97.2	Very high	66 Å²	66	35.9 Å²	35.9	29%	0.287	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-97.1	8.7	-178.1	-66.5	-158.3	178.4	-154.7	0	115	D136 R137 N222 L227 F240	D136-K225 PolarHBondContact O-NZ 3.44Å; D136-K225 IonicContact OD1-NZ 3.87Å; D136-K225 PolarHBondContact OD1-NZ 3.29Å; D136-K225 IonicContact OD2-NZ 2.64Å; D136-K225 PolarHBondContact OD2-NZ 2.71Å; R137-K225 HydrophobicContact CG-CB 4.44Å; R137-K225 HydrophobicContact CG-CD 4.29Å; R137-K225 PolarHBondContact NE-O 2.86Å; N222-K225 PolarHBondContact O-N 2.78Å; N222-K225 PolarHBondContact OD1-N 3.45Å; K225-L227 PolarHBondContact O-N 2.91Å; K225-F240 HydrophobicContact CB-CD1 4.08Å; K225-F240 HydrophobicContact CB-CE1 3.84Å
226	V	98.3	Very high	97.3	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	19%	0.191	C	C	.	.			trans	-48.1	131.3	179	168.9	0	0	0	0	111.2	V95 K98 N222 I228 F240	V95-V226 HydrophobicContact CG2-CG1 4.46Å; K98-V226 HydrophobicContact CB-CG1 4.06Å; K98-V226 HydrophobicContact CD-CB 3.68Å; K98-V226 HydrophobicContact CD-CG1 3.89Å; K98-V226 WeakPolarHBondContact CD-O 3.44Å; N222-V226 WeakPolarHBondContact O-CG2 3.4Å; N222-V226 PolarHBondContact O-N 3.43Å; V226-I228 HydrophobicContact CG1-CD1 3.54Å; V226-F240 VanDerWaalsContact CA-O 3.25Å; V226-F240 WeakPolarHBondContact CA-O 3.27Å
227	L	98.7	Very high	97.3	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	124	173.1	-178.3	64.2	0	0	0	108.9	V100 M125 A133 K225 S239 F240	V100-L227 HydrophobicContact CG1-CD1 4.45Å; V100-L227 HydrophobicContact CG2-CD1 3.93Å; M125-L227 HydrophobicContact CE-CD1 3.99Å; A133-L227 HydrophobicContact CB-CD2 3.69Å; K225-L227 PolarHBondContact O-N 2.91Å; L227-S239 WeakPolarHBondContact O-CA 3.48Å; L227-F240 PolarHBondContact N-O 2.83Å; L227-F240 VanDerWaalsContact N-O 3.13Å; L227-F240 PolarHBondContact O-N 3.05Å
228	I	98.8	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.7	175.7	-54.5	88.3	0	0	0	107.1	K98 T99 V100 V226 N247	K98-I228 PolarHBondContact O-N 3.24Å; T99-I228 CarbonylContact C-O 3.52Å; T99-I228 VanDerWaalsContact CA-O 3.29Å; T99-I228 WeakPolarHBondContact CA-O 3.39Å; T99-I228 HydrophobicContact CG2-CB 4.43Å; V100-I228 PolarHBondContact N-O 3.16Å; V226-I228 HydrophobicContact CG1-CD1 3.54Å; I228-N247 HydrophobicContact CD1-CB 4.22Å; I228-N247 HydrophobicContact CG1-CB 4.01Å
229	S	98.7	Very high	97.6	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.5	-173.9	57.2	0	0	0	0	111.6	V100 W130 M238	V100-S229 WeakPolarHBondContact O-CA 3.31Å; W130-S229 PolarHBondContact NE1-OG 2.75Å; S229-M238 PolarHBondContact N-O 3.03Å; S229-M238 PolarHBondContact O-N 2.86Å; S229-M238 WeakPolarHBondContact OG-CB 3.5Å; S229-M238 PolarHBondContact OG-O 3.32Å; S229-M238 VanDerWaalsContact OG-O 3.06Å
230	H	98.9	Very high	97.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126	-179	-47.1	76.2	0	0	0	107.9	V100 I101 V102 P232 C254 R258 I259	V100-H230 PolarHBondContact O-N 2.94Å; V100-H230 PolarHBondContact O-ND1 2.84Å; I101-H230 WeakPolarHBondContact CA-O 3.35Å; I101-H230 HydrophobicContact CG1-CB 4.22Å; V102-H230 PolarHBondContact N-O 3.32Å; H230-P232 VanDerWaalsContact O-CD 3.24Å; H230-P232 WeakPolarHBondContact O-CD 3.24Å; H230-C254 WeakPolarHBondContact NE2-CA 3.4Å; H230-C254 WeakPolarHBondContact NE2-CB 3.01Å; H230-C254 PolarHBondContact NE2-SG 3.07Å; H230-C254 VanDerWaalsContact NE2-SG 3.43Å; H230-R258 VanDerWaalsContact CE1-CD 3.45Å; H230-R258 WeakPolarHBondContact CE1-CD 3.17Å; H230-R258 PolarHBondContact CE1-NH1 3.46Å; H230-R258 WeakPolarHBondContact NE2-CD 3.23Å; H230-R258 PolarHBondContact NE2-NH1 2.75Å; H230-I259 HydrophobicContact CB-CD1 4.01Å
231	L	98.6	Very high	97.7	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	83.2	178.8	-57.6	94.8	0	0	0	107.7	V102 W130 D233 T234 R235 Q236 M238	V102-L231 HydrophobicContact CB-CD2 4.31Å; V102-L231 HydrophobicContact CB-CG 4.08Å; V102-L231 HydrophobicContact CG1-CD2 4.35Å; V102-L231 HydrophobicContact CG2-CG 4.45Å; W130-L231 HydrophobicContact CD2-CD2 3.99Å; W130-L231 HydrophobicContact CE3-CD2 3.82Å; W130-L231 HydrophobicContact CH2-CD1 4.24Å; W130-L231 HydrophobicContact CH2-CD2 3.45Å; W130-L231 VanDerWaalsContact CH2-CD2 3.45Å; W130-L231 HydrophobicContact CH2-CG 4.5Å; W130-L231 HydrophobicContact CZ2-CD1 3.67Å; W130-L231 HydrophobicContact CZ2-CD2 3.67Å; W130-L231 HydrophobicContact CZ2-CG 4.29Å; W130-L231 HydrophobicContact CZ3-CD2 3.51Å; L231-D233 VanDerWaalsContact C-N 3.29Å; L231-D233 PolarHBondContact O-N 3.16Å; L231-T234 WeakPolarHBondContact CB-OG1 3.43Å; L231-T234 PolarHBondContact O-N 2.9Å; L231-T234 PolarHBondContact O-OG1 3Å; L231-R235 PolarHBondContact O-N 3.28Å; L231-Q236 HydrophobicContact CB-CB 4.12Å; L231-Q236 HydrophobicContact CD1-CB 4.04Å; L231-Q236 PolarHBondContact N-O 3.16Å; L231-Q236 PolarHBondContact O-N 2.81Å; L231-M238 HydrophobicContact CD1-CG 4.25Å
232	P	97.3	Very high	97.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-35.8	-173.5	18.4	-30.2	0	0	0	113.6	I101 T103 H230 T234 R235 I259 R262	I101-P232 HydrophobicContact CG2-CG 3.93Å; T103-P232 HydrophobicContact CG2-CG 3.74Å; H230-P232 VanDerWaalsContact O-CD 3.24Å; H230-P232 WeakPolarHBondContact O-CD 3.24Å; P232-T234 VanDerWaalsContact C-N 3.29Å; P232-T234 PolarHBondContact O-N 3.47Å; P232-R235 VanDerWaalsContact O-CD 3.29Å; P232-R235 WeakPolarHBondContact O-CD 3.4Å; P232-R235 PolarHBondContact O-N 2.93Å; P232-R235 PolarHBondContact O-NH1 3.46Å; P232-I259 HydrophobicContact CB-CD1 4.35Å; P232-R262 HydrophobicContact CB-CB 4.07Å; P232-R262 HydrophobicContact CB-CG 3.82Å
233	D	94.3	Very high	97.7	Very high	89 Å²	89	26 Å²	26	48%	0.476	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.7	-175.6	-61.7	-26.8	0	0	0	112.2	L231	L231-D233 VanDerWaalsContact C-N 3.29Å; L231-D233 PolarHBondContact O-N 3.16Å
234	T	95.3	Very high	97.7	Very high	68 Å²	68	25 Å²	25	42%	0.417	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.9	177.8	58.8	0	0	0	0	113.4	L231 P232 Q236	L231-T234 WeakPolarHBondContact CB-OG1 3.43Å; L231-T234 PolarHBondContact O-N 2.9Å; L231-T234 PolarHBondContact O-OG1 3Å; P232-T234 VanDerWaalsContact C-N 3.29Å; P232-T234 PolarHBondContact O-N 3.47Å; T234-Q236 VanDerWaalsContact C-N 3.32Å; T234-Q236 PolarHBondContact O-N 3.39Å
235	R	95.9	Very high	97.5	Very high	63 Å²	63	18.6 Å²	18.6	24%	0.238	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	47.8	-176.3	-49.8	-60.1	-178.2	-154.8	9.9	112.5	V199 R200 L231 P232 I263 D266	V199-R235 WeakPolarHBondContact CA-O 3.45Å; V199-R235 WeakPolarHBondContact CG1-O 3.44Å; V199-R235 HydrophobicContact CG2-CB 4.36Å; R200-R235 PolarHBondContact N-O 2.81Å; L231-R235 PolarHBondContact O-N 3.28Å; P232-R235 VanDerWaalsContact O-CD 3.29Å; P232-R235 WeakPolarHBondContact O-CD 3.4Å; P232-R235 PolarHBondContact O-N 2.93Å; P232-R235 PolarHBondContact O-NH1 3.46Å; R235-I263 VanDerWaalsContact CZ-CG1 3.47Å; R235-D266 IonicContact CZ-OD2 2.84Å; R235-D266 IonicContact NH1-OD2 3.23Å; R235-D266 IonicContact NH2-OD2 3.03Å; R235-D266 PolarHBondContact NH2-OD2 3.06Å
236	Q	98.4	Very high	97.2	Very high	47 Å²	47	15.8 Å²	15.8	22%	0.22	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.2	179.1	-65	173.4	32	0	0	111.9	R200 L231 T234	R200-Q236 HydrophobicContact CB-CG 3.94Å; R200-Q236 CarbonylContact O-C 3.48Å; R200-Q236 VanDerWaalsContact O-CA 3.32Å; R200-Q236 WeakPolarHBondContact O-CA 3.41Å; L231-Q236 HydrophobicContact CB-CB 4.12Å; L231-Q236 HydrophobicContact CD1-CB 4.04Å; L231-Q236 PolarHBondContact N-O 3.16Å; L231-Q236 PolarHBondContact O-N 2.81Å; T234-Q236 VanDerWaalsContact C-N 3.32Å; T234-Q236 PolarHBondContact O-N 3.39Å
237	I	98.9	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.2	171.2	-59	168.1	0	0	0	107.1	V199 R200 C201 Q202 L250 C254 F255 I259	V199-I237 HydrophobicContact CG1-CD1 3.9Å; V199-I237 HydrophobicContact CG1-CG1 4.16Å; R200-I237 PolarHBondContact O-N 2.83Å; C201-I237 CarbonylContact C-O 3.52Å; C201-I237 WeakPolarHBondContact CA-O 3.3Å; Q202-I237 PolarHBondContact N-O 2.88Å; I237-L250 HydrophobicContact CB-CD1 4.49Å; I237-L250 HydrophobicContact CG2-CB 4.35Å; I237-L250 HydrophobicContact CG2-CD1 3.92Å; I237-L250 HydrophobicContact CG2-CD2 3.97Å; I237-L250 HydrophobicContact CG2-CG 4.29Å; I237-C254 HydrophobicContact CD1-CB 3.81Å; I237-C254 HydrophobicContact CG1-CB 4.41Å; I237-C254 HydrophobicContact CG2-CB 3.72Å; I237-F255 HydrophobicContact CD1-CB 3.73Å; I237-I259 HydrophobicContact CD1-CG1 3.79Å; I237-I259 HydrophobicContact CG1-CD1 4.28Å; I237-I259 HydrophobicContact CG1-CG1 3.62Å
238	M	98.6	Very high	97.2	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.02	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.2	174.8	-53.8	-95.8	-55.2	0	0	109.2	W130 R134 F138 Q202 S229 L231	W130-M238 HydrophobicContact CZ2-CG 4.03Å; R134-M238 HydrophobicContact CG-CE 4.09Å; R134-M238 VanDerWaalsContact CZ-CE 3.5Å; F138-M238 HydrophobicContact CD1-CE 4.22Å; F138-M238 HydrophobicContact CD2-CE 3.75Å; F138-M238 HydrophobicContact CE1-CE 4.03Å; F138-M238 HydrophobicContact CE2-CB 4.4Å; F138-M238 HydrophobicContact CE2-CE 3.55Å; F138-M238 HydrophobicContact CG-CE 4.07Å; F138-M238 HydrophobicContact CZ-CB 4.25Å; F138-M238 HydrophobicContact CZ-CE 3.69Å; Q202-M238 HydrophobicContact CB-CE 4.34Å; Q202-M238 HydrophobicContact CB-SD 3.52Å; Q202-M238 VanDerWaalsContact CB-SD 3.52Å; Q202-M238 HydrophobicContact CG-CE 4.16Å; Q202-M238 HydrophobicContact CG-SD 3.98Å; Q202-M238 CarbonylContact O-C 3.58Å; Q202-M238 VanDerWaalsContact O-CA 3.3Å; Q202-M238 WeakPolarHBondContact O-CA 3.25Å; S229-M238 PolarHBondContact N-O 3.03Å; S229-M238 PolarHBondContact O-N 2.86Å; S229-M238 WeakPolarHBondContact OG-CB 3.5Å; S229-M238 PolarHBondContact OG-O 3.32Å; S229-M238 VanDerWaalsContact OG-O 3.06Å; L231-M238 HydrophobicContact CD1-CG 4.25Å
239	S	98.8	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.1	179.9	-176.2	0	0	0	0	111.1	Q202 H203 S204 L227 N247	Q202-S239 PolarHBondContact O-N 2.97Å; H203-S239 CarbonylContact C-O 3.56Å; H203-S239 VanDerWaalsContact CA-O 3.27Å; H203-S239 WeakPolarHBondContact CA-O 3.18Å; S204-S239 PolarHBondContact N-O 2.88Å; L227-S239 WeakPolarHBondContact O-CA 3.48Å; S239-N247 VanDerWaalsContact CB-O 3.29Å; S239-N247 WeakPolarHBondContact CB-O 3.29Å; S239-N247 PolarHBondContact OG-O 3.44Å
240	F	98.9	Very high	97.2	Very high	5 Å²	5	14.6 Å²	14.6	2%	0.022	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.1	-176.8	-169.6	-91.1	0	0	0	111.2	R137 F138 C141 S204 N222 K225 V226 L227 S242	R137-F240 HydrophobicContact CB-CD1 4.02Å; R137-F240 HydrophobicContact CB-CD2 3.8Å; R137-F240 HydrophobicContact CB-CE1 4.05Å; R137-F240 HydrophobicContact CB-CE2 3.82Å; R137-F240 HydrophobicContact CB-CG 3.88Å; R137-F240 HydrophobicContact CB-CZ 3.94Å; R137-F240 HydrophobicContact CG-CD1 3.8Å; R137-F240 HydrophobicContact CG-CD2 4.48Å; R137-F240 HydrophobicContact CG-CE1 3.93Å; R137-F240 HydrophobicContact CG-CG 4.09Å; R137-F240 HydrophobicContact CG-CZ 4.3Å; R137-F240 WeakPolarHBondContact O-CE2 3.48Å; R137-F240 WeakPolarHBondContact O-CZ 3.19Å; F138-F240 HydrophobicContact CD1-CD2 4.33Å; F138-F240 HydrophobicContact CD2-CD2 4.35Å; F138-F240 HydrophobicContact CE1-CD2 4.12Å; F138-F240 HydrophobicContact CE2-CB 4.09Å; F138-F240 HydrophobicContact CE2-CD2 4.13Å; F138-F240 HydrophobicContact CG-CD2 4.46Å; F138-F240 HydrophobicContact CZ-CB 3.99Å; F138-F240 HydrophobicContact CZ-CD2 4.01Å; C141-F240 HydrophobicContact CB-CE2 3.73Å; C141-F240 HydrophobicContact CB-CZ 4.39Å; S204-F240 CarbonylContact O-C 3.44Å; S204-F240 WeakPolarHBondContact O-CA 3.41Å; N222-F240 HydrophobicContact CB-CE1 4.32Å; K225-F240 HydrophobicContact CB-CD1 4.08Å; K225-F240 HydrophobicContact CB-CE1 3.84Å; V226-F240 VanDerWaalsContact CA-O 3.25Å; V226-F240 WeakPolarHBondContact CA-O 3.27Å; L227-F240 PolarHBondContact N-O 2.83Å; L227-F240 VanDerWaalsContact N-O 3.13Å; L227-F240 PolarHBondContact O-N 3.05Å; F240-S242 PolarHBondContact O-N 3.47Å
241	G	98.4	Very high	97.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	86.6	-2.7	162.6	0	0	0	0	0	116.7	S204 L205 C221 N222	S204-G241 PolarHBondContact O-N 2.93Å; L205-G241 WeakPolarHBondContact O-CA 3.42Å; C221-G241 WeakPolarHBondContact CB-O 3.26Å; N222-G241 CarbonylContact C-O 3.53Å; N222-G241 PolarHBondContact N-O 3.13Å
242	S	98.6	Very high	97	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.007	7%	0.073	C	C	.	.			trans	-132.1	126.7	-178.4	171.8	0	0	0	0	110	D91 H203 F240 Y244 N247	D91-S242 VanDerWaalsContact OD1-CB 3.29Å; D91-S242 WeakPolarHBondContact OD1-CB 3.49Å; D91-S242 PolarHBondContact OD1-OG 3.38Å; H203-S242 PolarHBondContact NE2-O 2.94Å; F240-S242 PolarHBondContact O-N 3.47Å; S242-Y244 PolarHBondContact OG-N 3.23Å; S242-N247 WeakPolarHBondContact OG-CB 3.36Å; S242-N247 PolarHBondContact OG-ND2 3.5Å
243	G	97.7	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.			trans	-91.1	-6.5	172.8	0	0	0	0	0	113.3	D91 L205 W219 G245 S248	D91-G243 PolarHBondContact OD2-N 3.28Å; L205-G243 VanDerWaalsContact CD2-CA 3.41Å; W219-G243 VanDerWaalsContact CZ2-C 3.45Å; G243-G245 PolarHBondContact O-N 2.9Å; G243-S248 WeakPolarHBondContact O-CB 3.38Å; G243-S248 PolarHBondContact O-OG 2.73Å
244	Y	96.3	Very high	97.3	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.016	5%	0.053	C	C	.	.	S	Bend	trans	-78	121.2	-171.7	-178.7	-89.3	0	0	0	113.3	D91 V92 S242 G246 N247 N411 R413	D91-Y244 WeakPolarHBondContact OD1-CB 3.41Å; D91-Y244 PolarHBondContact OD2-N 3.3Å; V92-Y244 WeakPolarHBondContact O-CE2 3.41Å; S242-Y244 PolarHBondContact OG-N 3.23Å; Y244-G246 PolarHBondContact O-N 3.47Å; Y244-G246 VanDerWaalsContact O-N 3.11Å; Y244-N247 WeakPolarHBondContact O-CB 3.27Å; Y244-N247 PolarHBondContact O-N 3.12Å; Y244-N411 PolarHBondContact OH-ND2 2.76Å; Y244-N411 PolarHBondContact OH-O 2.71Å; Y244-R413 WeakPolarHBondContact OH-CG 3.47Å; Y244-R413 PolarHBondContact OH-NE 3.12Å
245	G	92.3	Very high	97.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	32.6	-106.3	159.3	0	0	0	0	0	115.9	G243 N247 S248 L249	G243-G245 PolarHBondContact O-N 2.9Å; G245-N247 PolarHBondContact O-N 2.8Å; G245-N247 VanDerWaalsContact O-N 3.08Å; G245-S248 PolarHBondContact N-OG 3.11Å; G245-S248 PolarHBondContact O-N 3.1Å; G245-S248 PolarHBondContact O-OG 3.4Å; G245-L249 WeakPolarHBondContact O-CB 3.15Å; G245-L249 WeakPolarHBondContact O-CG 3.38Å; G245-L249 PolarHBondContact O-N 3.28Å
246	G	90.4	Very high	97.6	Very high	7 Å²	7	4.2 Å²	4.2	7%	0.072	2%	0.021	C	C	.	.	H	α-helix	trans	-63.3	-14.1	-174.4	0	0	0	0	0	116.1	Y244	Y244-G246 PolarHBondContact O-N 3.47Å; Y244-G246 VanDerWaalsContact O-N 3.11Å
247	N	97.3	Very high	97.6	Very high	2 Å²	2	2 Å²	2	1%	0.011	1%	0.011	C	C	.	.	H	α-helix	trans	-93.1	-22.6	176.1	-54.5	-29.1	0	0	0	111.9	A93 I228 S239 S242 Y244 G245 L250	A93-N247 PolarHBondContact O-ND2 2.77Å; A93-N247 VanDerWaalsContact O-ND2 3.07Å; I228-N247 HydrophobicContact CD1-CB 4.22Å; I228-N247 HydrophobicContact CG1-CB 4.01Å; S239-N247 VanDerWaalsContact CB-O 3.29Å; S239-N247 WeakPolarHBondContact CB-O 3.29Å; S239-N247 PolarHBondContact OG-O 3.44Å; S242-N247 WeakPolarHBondContact OG-CB 3.36Å; S242-N247 PolarHBondContact OG-ND2 3.5Å; Y244-N247 WeakPolarHBondContact O-CB 3.27Å; Y244-N247 PolarHBondContact O-N 3.12Å; G245-N247 PolarHBondContact O-N 2.8Å; G245-N247 VanDerWaalsContact O-N 3.08Å; N247-L250 WeakPolarHBondContact O-CD2 3.5Å
248	S	98.3	Very high	97.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-118.2	-29	-170.5	65.5	0	0	0	0	114.1	Q167 H203 G243 G245 L250	Q167-S248 PolarHBondContact NE2-O 3Å; H203-S248 WeakPolarHBondContact NE2-CB 3.25Å; G243-S248 WeakPolarHBondContact O-CB 3.38Å; G243-S248 PolarHBondContact O-OG 2.73Å; G245-S248 PolarHBondContact N-OG 3.11Å; G245-S248 PolarHBondContact O-N 3.1Å; G245-S248 PolarHBondContact O-OG 3.4Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 2.77Å; S248-L250 VanDerWaalsContact O-N 3.07Å
249	L	98.6	Very high	97.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.			trans	-81.7	79.5	171.2	-52.1	-177.7	0	0	0	108.4	V174 S177 M178 M181 G245 G251 K252 F342	V174-L249 HydrophobicContact CG1-CD2 4.29Å; S177-L249 VanDerWaalsContact CB-CD2 3.49Å; M178-L249 HydrophobicContact CG-CD2 3.94Å; M178-L249 HydrophobicContact SD-CB 3.95Å; M178-L249 HydrophobicContact SD-CD2 4.18Å; M181-L249 HydrophobicContact CG-CD1 4.17Å; G245-L249 WeakPolarHBondContact O-CB 3.15Å; G245-L249 WeakPolarHBondContact O-CG 3.38Å; G245-L249 PolarHBondContact O-N 3.28Å; L249-G251 PolarHBondContact O-N 3.01Å; L249-K252 HydrophobicContact CB-CB 4.3Å; L249-K252 WeakPolarHBondContact O-CB 3.23Å; L249-K252 PolarHBondContact O-N 2.8Å; L249-F342 HydrophobicContact CD1-CD2 4.3Å; L249-F342 HydrophobicContact CD1-CE2 4.27Å
250	L	98.8	Very high	97.6	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.5	-166.2	-60.1	-172.6	0	0	0	112.9	Q167 C201 H203 I237 N247 S248 K252 C254 F255	Q167-L250 HydrophobicContact CG-CD1 4.36Å; C201-L250 HydrophobicContact CB-CB 3.99Å; C201-L250 HydrophobicContact CB-CD1 3.7Å; C201-L250 HydrophobicContact CB-CG 4.48Å; H203-L250 HydrophobicContact CB-CD1 3.93Å; I237-L250 HydrophobicContact CB-CD1 4.49Å; I237-L250 HydrophobicContact CG2-CB 4.35Å; I237-L250 HydrophobicContact CG2-CD1 3.92Å; I237-L250 HydrophobicContact CG2-CD2 3.97Å; I237-L250 HydrophobicContact CG2-CG 4.29Å; N247-L250 WeakPolarHBondContact O-CD2 3.5Å; S248-L250 VanDerWaalsContact C-N 3.32Å; S248-L250 PolarHBondContact O-N 2.77Å; S248-L250 VanDerWaalsContact O-N 3.07Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 3.3Å; L250-C254 HydrophobicContact CD2-CB 4.35Å; L250-F255 WeakPolarHBondContact O-CB 3.5Å; L250-F255 PolarHBondContact O-N 3Å
251	G	98.1	Very high	97.5	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	I	π-helix	trans	-61	-30.7	169	0	0	0	0	0	113.9	M154 L249 A256	M154-G251 VanDerWaalsContact CE-O 3.25Å; M154-G251 WeakPolarHBondContact CE-O 3.41Å; L249-G251 PolarHBondContact O-N 3.01Å; G251-A256 VanDerWaalsContact O-CB 3.32Å; G251-A256 WeakPolarHBondContact O-CB 3.27Å; G251-A256 PolarHBondContact O-N 3.34Å
252	K	97	Very high	97.5	Very high	9 Å²	9	4.1 Å²	4.1	4%	0.039	2%	0.019	C	C	.	.	I	π-helix	trans	-74.4	-94.4	-172.4	-171.6	169.1	-177.3	69.5	0	112.9	M181 L249 L250 A256 D320 I321 E338 F342	M181-K252 HydrophobicContact CE-CD 4.4Å; L249-K252 HydrophobicContact CB-CB 4.3Å; L249-K252 WeakPolarHBondContact O-CB 3.23Å; L249-K252 PolarHBondContact O-N 2.8Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 3.3Å; K252-A256 WeakPolarHBondContact O-CA 3.43Å; K252-A256 WeakPolarHBondContact O-CB 3.17Å; K252-A256 PolarHBondContact O-N 3.19Å; K252-D320 VanDerWaalsContact CE-OD2 3.22Å; K252-D320 WeakPolarHBondContact CE-OD2 3.46Å; K252-D320 IonicContact NZ-OD2 3.22Å; K252-D320 PolarHBondContact NZ-OD2 3.48Å; K252-I321 HydrophobicContact CG-CD1 4.33Å; K252-E338 WeakPolarHBondContact CG-OE1 3.48Å; K252-E338 IonicContact NZ-OE1 3.55Å; K252-E338 PolarHBondContact NZ-OE1 3.35Å; K252-E338 IonicContact NZ-OE2 2.83Å; K252-E338 PolarHBondContact NZ-OE2 3.23Å; K252-F342 HydrophobicContact CD-CB 4.21Å; K252-F342 HydrophobicContact CD-CD1 4.4Å
253	K	97.3	Very high	97.5	Very high	10 Å²	10	4.4 Å²	4.4	4%	0.043	2%	0.021	C	C	.	.	I	π-helix	trans	-80.2	-35.5	-173.3	-60.8	-58.3	179.2	179.8	0	112.7	L257 R258 H273 D320 F493	K253-L257 HydrophobicContact CD-CD1 3.65Å; K253-R258 PolarHBondContact O-N 3.06Å; K253-H273 PolarHBondContact NZ-CD2 3.3Å; K253-H273 PolarHBondContact NZ-NE2 2.82Å; K253-D320 WeakPolarHBondContact CE-OD2 3.28Å; K253-D320 IonicContact NZ-OD1 3.43Å; K253-D320 PolarHBondContact NZ-OD1 3.37Å; K253-D320 IonicContact NZ-OD2 3.47Å; K253-D320 PolarHBondContact NZ-OD2 2.74Å; K253-F493 HydrophobicContact CB-CD1 4.25Å; K253-F493 HydrophobicContact CB-CE1 4.08Å; K253-F493 HydrophobicContact CD-CD1 4.21Å; K253-F493 HydrophobicContact CD-CE1 3.73Å; K253-F493 HydrophobicContact CD-CZ 3.95Å; K253-F493 HydrophobicContact CG-CD1 4.48Å; K253-F493 HydrophobicContact CG-CE1 3.89Å; K253-F493 HydrophobicContact CG-CZ 4.45Å
254	C	98.7	Very high	97.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.021	C	C	.	.	I	π-helix	trans	-69.9	-49.9	-175.8	-57.3	0	0	0	0	111.2	H230 I237 L250 R258 I259	H230-C254 WeakPolarHBondContact NE2-CA 3.4Å; H230-C254 WeakPolarHBondContact NE2-CB 3.01Å; H230-C254 PolarHBondContact NE2-SG 3.07Å; H230-C254 VanDerWaalsContact NE2-SG 3.43Å; I237-C254 HydrophobicContact CD1-CB 3.81Å; I237-C254 HydrophobicContact CG1-CB 4.41Å; I237-C254 HydrophobicContact CG2-CB 3.72Å; L250-C254 HydrophobicContact CD2-CB 4.35Å; C254-R258 WeakPolarHBondContact O-CB 3.48Å; C254-I259 PolarHBondContact O-N 3.19Å
255	F	98.8	Very high	97.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-80.6	-65	175.6	-174.7	-172.4	0	0	0	111.3	F152 M154 K163 V199 I237 L250 L257 I259 A260 I263 W323	F152-F255 AromaticContact CE2-CD1 3.7Å; F152-F255 HydrophobicContact CE2-CD1 3.7Å; F152-F255 HydrophobicContact CE2-CE1 4.05Å; F152-F255 AromaticContact CZ-CD1 3.87Å; F152-F255 HydrophobicContact CZ-CD1 3.87Å; F152-F255 HydrophobicContact CZ-CE1 4.34Å; M154-F255 HydrophobicContact CB-CE1 4.33Å; M154-F255 HydrophobicContact CG-CD1 3.52Å; M154-F255 HydrophobicContact CG-CE1 3.53Å; M154-F255 HydrophobicContact CG-CG 4.37Å; M154-F255 HydrophobicContact CG-CZ 4.38Å; M154-F255 HydrophobicContact SD-CD1 4.49Å; K163-F255 HydrophobicContact CB-CE1 4.39Å; K163-F255 HydrophobicContact CB-CE2 4.16Å; K163-F255 HydrophobicContact CB-CZ 3.49Å; K163-F255 VanDerWaalsContact CB-CZ 3.49Å; V199-F255 HydrophobicContact CB-CD1 4.32Å; V199-F255 HydrophobicContact CB-CD2 4.38Å; V199-F255 HydrophobicContact CB-CE1 4.07Å; V199-F255 HydrophobicContact CB-CE2 4.16Å; V199-F255 HydrophobicContact CB-CG 4.48Å; V199-F255 HydrophobicContact CB-CZ 3.96Å; V199-F255 HydrophobicContact CG1-CD2 4.43Å; V199-F255 HydrophobicContact CG1-CG 4.45Å; V199-F255 HydrophobicContact CG2-CD1 4.46Å; V199-F255 HydrophobicContact CG2-CD2 3.86Å; V199-F255 HydrophobicContact CG2-CE1 3.97Å; V199-F255 HydrophobicContact CG2-CE2 3.31Å; V199-F255 HydrophobicContact CG2-CG 4.42Å; V199-F255 HydrophobicContact CG2-CZ 3.34Å; I237-F255 HydrophobicContact CD1-CB 3.73Å; L250-F255 WeakPolarHBondContact O-CB 3.5Å; L250-F255 PolarHBondContact O-N 3Å; F255-L257 PolarHBondContact O-N 3.22Å; F255-I259 HydrophobicContact CD2-CB 4.09Å; F255-I259 HydrophobicContact CD2-CG2 4.06Å; F255-I259 HydrophobicContact CE2-CG2 4.33Å; F255-I259 PolarHBondContact O-N 3.37Å; F255-A260 WeakPolarHBondContact O-CB 3.28Å; F255-A260 PolarHBondContact O-N 2.76Å; F255-I263 HydrophobicContact CE2-CD1 4.19Å; F255-W323 HydrophobicContact CZ-CH2 4.47Å
256	A	98.6	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-69.9	-7	-163.6	0	0	0	0	0	116.5	M154 G251 K252 A260 I321 W323 P337	M154-A256 HydrophobicContact CE-CB 3.76Å; G251-A256 VanDerWaalsContact O-CB 3.32Å; G251-A256 WeakPolarHBondContact O-CB 3.27Å; G251-A256 PolarHBondContact O-N 3.34Å; K252-A256 WeakPolarHBondContact O-CA 3.43Å; K252-A256 WeakPolarHBondContact O-CB 3.17Å; K252-A256 PolarHBondContact O-N 3.19Å; A256-A260 VanDerWaalsContact C-CB 3.49Å; A256-A260 WeakPolarHBondContact O-CB 3.31Å; A256-I321 HydrophobicContact CB-CD1 3.75Å; A256-I321 HydrophobicContact CB-CG2 4.04Å; A256-W323 HydrophobicContact CB-CZ2 3.93Å; A256-W323 PolarHBondContact O-NE1 3.13Å; A256-P337 HydrophobicContact CB-CG 4.27Å
257	L	98.7	Very high	98	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-119.1	-58.8	168.3	-61.1	175.6	0	0	0	112.6	K253 F255 S261 E272 H273 I321 M490 F493	K253-L257 HydrophobicContact CD-CD1 3.65Å; F255-L257 PolarHBondContact O-N 3.22Å; L257-S261 WeakPolarHBondContact O-CA 3.45Å; L257-S261 WeakPolarHBondContact O-CB 3.35Å; L257-S261 PolarHBondContact O-N 3.06Å; L257-S261 PolarHBondContact O-OG 2.87Å; L257-E272 VanDerWaalsContact CD2-C 3.41Å; L257-H273 HydrophobicContact CD1-CB 4Å; L257-H273 HydrophobicContact CD2-CB 4.21Å; L257-I321 HydrophobicContact CD2-CG1 4.4Å; L257-I321 HydrophobicContact CD2-CG2 3.91Å; L257-I321 HydrophobicContact CG-CD1 4.35Å; L257-I321 HydrophobicContact CG-CG1 4.46Å; L257-M490 HydrophobicContact CB-CE 4.33Å; L257-M490 HydrophobicContact CD1-SD 4.38Å; L257-M490 HydrophobicContact CD2-CE 4.33Å; L257-M490 HydrophobicContact CD2-SD 4.02Å; L257-F493 HydrophobicContact CB-CB 3.9Å; L257-F493 HydrophobicContact CB-CG 4.48Å; L257-F493 HydrophobicContact CD1-CB 3.79Å; L257-F493 HydrophobicContact CD1-CD1 4.03Å; L257-F493 HydrophobicContact CD1-CD2 3.68Å; L257-F493 HydrophobicContact CD1-CE2 4.27Å; L257-F493 HydrophobicContact CD1-CG 3.56Å; L257-F493 HydrophobicContact CG-CB 4.48Å
258	R	98.6	Very high	98	Very high	8 Å²	8	16.4 Å²	16.4	3%	0.03	8%	0.083	C	C	.	.	I	π-helix	trans	-69.2	-60	-172.4	-66.3	-177.8	-164.1	102.2	2.7	112.5	H230 K253 C254 S261 P492 F493 G495	H230-R258 VanDerWaalsContact CE1-CD 3.45Å; H230-R258 WeakPolarHBondContact CE1-CD 3.17Å; H230-R258 PolarHBondContact CE1-NH1 3.46Å; H230-R258 WeakPolarHBondContact NE2-CD 3.23Å; H230-R258 PolarHBondContact NE2-NH1 2.75Å; K253-R258 PolarHBondContact O-N 3.06Å; C254-R258 WeakPolarHBondContact O-CB 3.48Å; R258-S261 PolarHBondContact O-OG 3.04Å; R258-S261 VanDerWaalsContact O-OG 3.07Å; R258-P492 PolarHBondContact NE-O 2.79Å; R258-P492 VanDerWaalsContact NE-O 3.1Å; R258-P492 PolarHBondContact NH2-O 3.45Å; R258-F493 VanDerWaalsContact CG-O 3.24Å; R258-F493 WeakPolarHBondContact CG-O 3.21Å; R258-G495 WeakPolarHBondContact O-CA 3.5Å
259	I	98.8	Very high	98	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.084	C	C	.	.	I	π-helix	trans	-65.6	-42.7	177.9	-63.8	-63.4	0	0	0	110.7	V199 H230 P232 I237 C254 F255 S261 R262 I263	V199-I259 HydrophobicContact CG1-CG2 4.32Å; V199-I259 HydrophobicContact CG2-CG2 4.04Å; H230-I259 HydrophobicContact CB-CD1 4.01Å; P232-I259 HydrophobicContact CB-CD1 4.35Å; I237-I259 HydrophobicContact CD1-CG1 3.79Å; I237-I259 HydrophobicContact CG1-CD1 4.28Å; I237-I259 HydrophobicContact CG1-CG1 3.62Å; C254-I259 PolarHBondContact O-N 3.19Å; F255-I259 HydrophobicContact CD2-CB 4.09Å; F255-I259 HydrophobicContact CD2-CG2 4.06Å; F255-I259 HydrophobicContact CE2-CG2 4.33Å; F255-I259 PolarHBondContact O-N 3.37Å; I259-S261 PolarHBondContact O-N 2.77Å; I259-R262 PolarHBondContact O-N 3.27Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 HydrophobicContact CG2-CG1 4.32Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.79Å
260	A	98.7	Very high	98	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-42.7	-179.2	0	0	0	0	0	112.6	F255 A256 R262 I263 A264 W269 A271 W323	F255-A260 WeakPolarHBondContact O-CB 3.28Å; F255-A260 PolarHBondContact O-N 2.76Å; A256-A260 VanDerWaalsContact C-CB 3.49Å; A256-A260 WeakPolarHBondContact O-CB 3.31Å; A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.84Å; A260-I263 CarbonylContact O-C 3.58Å; A260-I263 WeakPolarHBondContact O-CB 3.27Å; A260-I263 PolarHBondContact O-N 3.27Å; A260-I263 VanDerWaalsContact O-N 3.14Å; A260-A264 WeakPolarHBondContact O-CB 3.42Å; A260-A264 PolarHBondContact O-N 3.49Å; A260-W269 HydrophobicContact CB-CH2 4.02Å; A260-A271 HydrophobicContact CB-CB 3.71Å; A260-W323 HydrophobicContact CB-CZ2 3.75Å
261	S	98.6	Very high	98	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-33.3	179	62.2	0	0	0	0	112.2	L257 R258 I259 A264 K265 G495 Y496	L257-S261 WeakPolarHBondContact O-CA 3.45Å; L257-S261 WeakPolarHBondContact O-CB 3.35Å; L257-S261 PolarHBondContact O-N 3.06Å; L257-S261 PolarHBondContact O-OG 2.87Å; R258-S261 PolarHBondContact O-OG 3.04Å; R258-S261 VanDerWaalsContact O-OG 3.07Å; I259-S261 PolarHBondContact O-N 2.77Å; S261-A264 WeakPolarHBondContact O-CB 3.49Å; S261-A264 PolarHBondContact O-N 3.01Å; S261-K265 PolarHBondContact O-N 3.33Å; S261-G495 WeakPolarHBondContact OG-CA 3.36Å; S261-G495 PolarHBondContact OG-N 2.85Å; S261-G495 VanDerWaalsContact OG-N 3.16Å; S261-Y496 WeakPolarHBondContact O-CE1 3.11Å
262	R	98.2	Very high	98	Very high	41 Å²	41	16.9 Å²	16.9	16%	0.155	9%	0.086	C	C	.	.	H	α-helix	trans	-69.3	-45.4	171.7	-178.8	57.9	-178.5	-133.5	-8.3	112	P232 I259 A260 A264 K265 D266 Y496	P232-R262 HydrophobicContact CB-CB 4.07Å; P232-R262 HydrophobicContact CB-CG 3.82Å; I259-R262 PolarHBondContact O-N 3.27Å; A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.84Å; R262-A264 PolarHBondContact O-N 3.48Å; R262-K265 WeakPolarHBondContact O-CB 3.5Å; R262-K265 PolarHBondContact O-N 2.95Å; R262-D266 IonicContact CZ-OD1 3.9Å; R262-D266 IonicContact NE-OD1 2.74Å; R262-D266 PolarHBondContact NE-OD1 2.89Å; R262-D266 VanDerWaalsContact NE-OD1 3.16Å; R262-D266 IonicContact NE-OD2 2.71Å; R262-D266 PolarHBondContact O-N 3.42Å; R262-Y496 HydrophobicContact CB-CD1 4.31Å
263	I	98.2	Very high	98.1	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.041	8%	0.084	C	C	.	.	H	α-helix	trans	-56.8	-41.7	173.4	-63.8	166.9	0	0	0	110.1	R235 F255 I259 A260 K265 D266 E267 W269	R235-I263 VanDerWaalsContact CZ-CG1 3.47Å; F255-I263 HydrophobicContact CE2-CD1 4.19Å; I259-I263 HydrophobicContact CG2-CD1 3.74Å; I259-I263 HydrophobicContact CG2-CG1 4.32Å; I259-I263 WeakPolarHBondContact O-CG1 3.43Å; I259-I263 PolarHBondContact O-N 2.79Å; A260-I263 CarbonylContact O-C 3.58Å; A260-I263 WeakPolarHBondContact O-CB 3.27Å; A260-I263 PolarHBondContact O-N 3.27Å; A260-I263 VanDerWaalsContact O-N 3.14Å; I263-K265 PolarHBondContact O-N 3.02Å; I263-D266 PolarHBondContact O-N 3.39Å; I263-D266 VanDerWaalsContact O-N 3.14Å; I263-E267 VanDerWaalsContact CG2-CD 3.42Å; I263-E267 HydrophobicContact CG2-CG 4.12Å; I263-E267 VanDerWaalsContact CG2-OE1 3.27Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.34Å; I263-E267 WeakPolarHBondContact O-CB 3.11Å; I263-E267 WeakPolarHBondContact O-CG 3.47Å; I263-E267 PolarHBondContact O-N 3.47Å; I263-W269 HydrophobicContact CB-CZ2 4.06Å; I263-W269 HydrophobicContact CG2-CZ2 3.71Å
264	A	98.3	Very high	98.1	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-41.2	-179.8	0	0	0	0	0	112	A260 S261 R262 E267 G268 W269 A271 H504	A260-A264 WeakPolarHBondContact O-CB 3.42Å; A260-A264 PolarHBondContact O-N 3.49Å; S261-A264 WeakPolarHBondContact O-CB 3.49Å; S261-A264 PolarHBondContact O-N 3.01Å; R262-A264 PolarHBondContact O-N 3.48Å; A264-E267 PolarHBondContact O-N 2.99Å; A264-G268 WeakPolarHBondContact O-CA 3.49Å; A264-G268 PolarHBondContact O-N 3.27Å; A264-W269 CarbonylContact C-O 3.46Å; A264-W269 VanDerWaalsContact CA-CE2 3.41Å; A264-W269 HydrophobicContact CB-CD2 3.46Å; A264-W269 VanDerWaalsContact CB-CD2 3.46Å; A264-W269 HydrophobicContact CB-CE3 3.55Å; A264-W269 HydrophobicContact CB-CG 4.04Å; A264-W269 HydrophobicContact CB-CH2 3.96Å; A264-W269 HydrophobicContact CB-CZ2 3.89Å; A264-W269 HydrophobicContact CB-CZ3 3.8Å; A264-W269 WeakPolarHBondContact CB-O 3.45Å; A264-W269 PolarHBondContact O-N 3.2Å; A264-W269 VanDerWaalsContact O-O 3.12Å; A264-A271 HydrophobicContact CB-CB 4.2Å; A264-H504 PolarHBondContact O-CE1 3.37Å
265	K	97.3	Very high	98.1	Very high	62 Å²	62	16 Å²	16	27%	0.27	8%	0.082	S	C	.	.	H	α-helix	trans	-58.8	-47.9	170.1	-170.6	-161.8	-177.2	-176.6	0	111.6	S261 R262 I263 E267 Y496 D500 H504	S261-K265 PolarHBondContact O-N 3.33Å; R262-K265 WeakPolarHBondContact O-CB 3.5Å; R262-K265 PolarHBondContact O-N 2.95Å; I263-K265 PolarHBondContact O-N 3.02Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 3.33Å; K265-Y496 HydrophobicContact CB-CE1 4.1Å; K265-Y496 HydrophobicContact CB-CE2 4.29Å; K265-Y496 HydrophobicContact CD-CD2 3.76Å; K265-Y496 HydrophobicContact CD-CE2 3.57Å; K265-Y496 HydrophobicContact CD-CG 4.33Å; K265-Y496 HydrophobicContact CG-CE2 4.04Å; K265-D500 IonicContact NZ-OD2 2.72Å; K265-D500 PolarHBondContact NZ-OD2 3.27Å; K265-H504 VanDerWaalsContact CA-CE1 3.43Å; K265-H504 WeakPolarHBondContact CA-CE1 3.4Å
266	D	96.1	Very high	98.1	Very high	84 Å²	84	16 Å²	16	45%	0.449	8%	0.082	S	C	.	.	H	α-helix	trans	-68.2	-32.7	-175.7	-57.6	-26.4	0	0	0	111.9	R235 R262 I263	R235-D266 IonicContact CZ-OD2 2.84Å; R235-D266 IonicContact NH1-OD2 3.23Å; R235-D266 IonicContact NH2-OD2 3.03Å; R235-D266 PolarHBondContact NH2-OD2 3.06Å; R262-D266 IonicContact CZ-OD1 3.9Å; R262-D266 IonicContact NE-OD1 2.74Å; R262-D266 PolarHBondContact NE-OD1 2.89Å; R262-D266 VanDerWaalsContact NE-OD1 3.16Å; R262-D266 IonicContact NE-OD2 2.71Å; R262-D266 PolarHBondContact O-N 3.42Å; I263-D266 PolarHBondContact O-N 3.39Å; I263-D266 VanDerWaalsContact O-N 3.14Å
267	E	95.9	Very high	98.1	Very high	94 Å²	94	16 Å²	16	44%	0.439	8%	0.082	S	C	.	.	H	α-helix	trans	-106.4	-2.5	-173.6	-65.4	178.9	-174.3	0	0	114.6	K163 I263 A264 K265 W269	K163-E267 VanDerWaalsContact NZ-CD 3.31Å; K163-E267 IonicContact NZ-OE1 2.84Å; K163-E267 PolarHBondContact NZ-OE1 2.84Å; K163-E267 VanDerWaalsContact NZ-OE1 3.08Å; K163-E267 IonicContact NZ-OE2 2.72Å; K163-E267 PolarHBondContact NZ-OE2 2.92Å; I263-E267 VanDerWaalsContact CG2-CD 3.42Å; I263-E267 HydrophobicContact CG2-CG 4.12Å; I263-E267 VanDerWaalsContact CG2-OE1 3.27Å; I263-E267 WeakPolarHBondContact CG2-OE1 3.34Å; I263-E267 WeakPolarHBondContact O-CB 3.11Å; I263-E267 WeakPolarHBondContact O-CG 3.47Å; I263-E267 PolarHBondContact O-N 3.47Å; A264-E267 PolarHBondContact O-N 2.99Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 3.33Å; E267-W269 VanDerWaalsContact CB-CD1 3.45Å; E267-W269 PolarHBondContact OE2-NE1 3.35Å
268	G	96.1	Very high	98.1	Very high	24 Å²	24	16 Å²	16	25%	0.247	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	41.9	175.4	0	0	0	0	0	115.9	A264 R511	A264-G268 WeakPolarHBondContact O-CA 3.49Å; A264-G268 PolarHBondContact O-N 3.27Å; G268-R511 PolarHBondContact O-NH1 3.47Å
269	W	97.8	Very high	98.1	Very high	5 Å²	5	15.8 Å²	15.8	2%	0.019	8%	0.081	C	C	.	.			trans	-133.1	-176.1	172.8	60	-88.6	0	0	0	110.9	A260 I263 A264 E267 A271 W323 M324 K325 H504	A260-W269 HydrophobicContact CB-CH2 4.02Å; I263-W269 HydrophobicContact CB-CZ2 4.06Å; I263-W269 HydrophobicContact CG2-CZ2 3.71Å; A264-W269 CarbonylContact C-O 3.46Å; A264-W269 VanDerWaalsContact CA-CE2 3.41Å; A264-W269 HydrophobicContact CB-CD2 3.46Å; A264-W269 VanDerWaalsContact CB-CD2 3.46Å; A264-W269 HydrophobicContact CB-CE3 3.55Å; A264-W269 HydrophobicContact CB-CG 4.04Å; A264-W269 HydrophobicContact CB-CH2 3.96Å; A264-W269 HydrophobicContact CB-CZ2 3.89Å; A264-W269 HydrophobicContact CB-CZ3 3.8Å; A264-W269 WeakPolarHBondContact CB-O 3.45Å; A264-W269 PolarHBondContact O-N 3.2Å; A264-W269 VanDerWaalsContact O-O 3.12Å; E267-W269 VanDerWaalsContact CB-CD1 3.45Å; E267-W269 PolarHBondContact OE2-NE1 3.35Å; W269-A271 HydrophobicContact CE3-CB 4.41Å; W269-A271 HydrophobicContact CH2-CB 4.07Å; W269-A271 HydrophobicContact CZ3-CB 3.58Å; W269-W323 HydrophobicContact CE3-CB 4.28Å; W269-W323 HydrophobicContact CE3-CG 4.45Å; W269-W323 AromaticContact CH2-CD2 3.95Å; W269-W323 HydrophobicContact CH2-CD2 3.95Å; W269-W323 HydrophobicContact CH2-CE3 4.35Å; W269-W323 HydrophobicContact CH2-CG 4.15Å; W269-W323 HydrophobicContact CZ3-CB 3.82Å; W269-W323 AromaticContact CZ3-CD1 3.76Å; W269-W323 AromaticContact CZ3-CD2 3.84Å; W269-W323 HydrophobicContact CZ3-CD2 3.84Å; W269-W323 HydrophobicContact CZ3-CE3 4.47Å; W269-W323 AromaticContact CZ3-CG 3.54Å; W269-W323 HydrophobicContact CZ3-CG 3.54Å; W269-M324 CarbonylContact C-O 3.07Å; W269-M324 WeakPolarHBondContact CB-O 3.45Å; W269-K325 HydrophobicContact CB-CB 3.84Å; W269-K325 HydrophobicContact CB-CD 4.21Å; W269-K325 HydrophobicContact CB-CG 3.91Å; W269-H504 PolarHBondContact O-CE1 2.86Å
270	L	98.7	Very high	98.1	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.1	-175.5	-62.1	172.5	0	0	0	111.6	E272 W323 M324 W505 M508	L270-E272 HydrophobicContact CB-CG 4.01Å; L270-W323 CarbonylContact O-C 3.58Å; L270-W323 WeakPolarHBondContact O-CA 3.29Å; L270-M324 HydrophobicContact CB-CB 4.3Å; L270-M324 HydrophobicContact CB-CE 4.1Å; L270-M324 HydrophobicContact CD1-CE 4.08Å; L270-M324 PolarHBondContact N-O 2.81Å; L270-M324 PolarHBondContact O-N 3.27Å; L270-W505 HydrophobicContact CD1-CD2 4.5Å; L270-W505 HydrophobicContact CD1-CH2 4.15Å; L270-W505 HydrophobicContact CD1-CZ2 4.13Å; L270-W505 HydrophobicContact CD1-CZ3 4.35Å; L270-W505 HydrophobicContact CD2-CD2 4.32Å; L270-W505 HydrophobicContact CD2-CG 4.42Å; L270-M508 HydrophobicContact CD1-CG 4.49Å; L270-M508 HydrophobicContact CD2-CE 3.85Å; L270-M508 HydrophobicContact CG-CE 4.18Å
271	A	98.8	Very high	98.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.6	173.9	0	0	0	0	0	109.5	A260 A264 W269	A260-A271 HydrophobicContact CB-CB 3.71Å; A264-A271 HydrophobicContact CB-CB 4.2Å; W269-A271 HydrophobicContact CE3-CB 4.41Å; W269-A271 HydrophobicContact CH2-CB 4.07Å; W269-A271 HydrophobicContact CZ3-CB 3.58Å
272	E	98.8	Very high	98.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.7	-161.4	-57	-57.1	159.7	0	0	113.1	L257 L270 M274 I321 A322 M324 Y501 W505	L257-E272 VanDerWaalsContact CD2-C 3.41Å; L270-E272 HydrophobicContact CB-CG 4.01Å; E272-M274 HydrophobicContact CB-CB 4.36Å; E272-M274 HydrophobicContact CB-CE 4.07Å; E272-M274 HydrophobicContact CB-CG 3.81Å; E272-M274 HydrophobicContact CB-SD 3.83Å; E272-M274 HydrophobicContact CG-CE 4.29Å; E272-M274 HydrophobicContact CG-SD 4.35Å; E272-M274 PolarHBondContact O-N 3.35Å; E272-I321 WeakPolarHBondContact O-CA 3.44Å; E272-A322 PolarHBondContact N-O 2.82Å; E272-A322 PolarHBondContact O-N 2.84Å; E272-M324 HydrophobicContact CB-CE 4.09Å; E272-M324 HydrophobicContact CG-CE 3.57Å; E272-Y501 VanDerWaalsContact CD-OH 3.25Å; E272-Y501 PolarHBondContact OE1-OH 3.17Å; E272-Y501 PolarHBondContact OE2-OH 3.19Å; E272-W505 VanDerWaalsContact CD-CZ2 3.44Å; E272-W505 HydrophobicContact CG-CZ2 3.75Å; E272-W505 WeakPolarHBondContact OE1-CZ2 3.32Å; E272-W505 PolarHBondContact OE1-NE1 2.97Å
273	H	98.6	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-79.8	60	175.6	-176.3	-146.3	0	0	0	111.1	K253 L257 K299 D320 A489 M490 F493	K253-H273 PolarHBondContact NZ-CD2 3.3Å; K253-H273 PolarHBondContact NZ-NE2 2.82Å; L257-H273 HydrophobicContact CD1-CB 4Å; L257-H273 HydrophobicContact CD2-CB 4.21Å; H273-K299 PolarHBondContact CD2-NZ 2.82Å; H273-K299 PolarHBondContact CE1-NZ 2.71Å; H273-K299 PolarHBondContact NE2-NZ 3.08Å; H273-D320 CarbonylContact C-O 3.53Å; H273-D320 VanDerWaalsContact C-O 3.31Å; H273-D320 WeakPolarHBondContact CA-O 3.15Å; H273-D320 PolarHBondContact CD2-O 2.76Å; H273-D320 VanDerWaalsContact CD2-O 3.22Å; H273-D320 IonicContact CD2-OD1 2.82Å; H273-D320 PolarHBondContact CD2-OD1 3.01Å; H273-D320 VanDerWaalsContact CD2-OD1 3.23Å; H273-D320 IonicContact NE2-OD1 3.22Å; H273-D320 PolarHBondContact NE2-OD1 2.83Å; H273-A489 PolarHBondContact ND1-O 2.64Å; H273-M490 HydrophobicContact CB-CG 4.34Å; H273-M490 HydrophobicContact CB-SD 3.56Å; H273-M490 VanDerWaalsContact CB-SD 3.56Å; H273-F493 HydrophobicContact CB-CD2 4.32Å; H273-F493 AromaticContact CE1-CE2 3.45Å; H273-F493 VanDerWaalsContact CE1-CE2 3.45Å; H273-F493 WeakPolarHBondContact CE1-CE2 3.39Å; H273-F493 AromaticContact CG-CE2 3.99Å; H273-F493 AromaticContact ND1-CD2 3.86Å; H273-F493 AromaticContact ND1-CE2 3.53Å; H273-F493 AromaticContact NE2-CE2 3.86Å
274	M	98.8	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.			trans	-120	138.9	-174	-68.2	179.8	-177.4	0	0	111.3	E272 A290 A291 A292 D320 I321 A322 M324 I439 F441 W505	E272-M274 HydrophobicContact CB-CB 4.36Å; E272-M274 HydrophobicContact CB-CE 4.07Å; E272-M274 HydrophobicContact CB-CG 3.81Å; E272-M274 HydrophobicContact CB-SD 3.83Å; E272-M274 HydrophobicContact CG-CE 4.29Å; E272-M274 HydrophobicContact CG-SD 4.35Å; E272-M274 PolarHBondContact O-N 3.35Å; M274-A290 HydrophobicContact CB-CB 4.28Å; M274-A290 HydrophobicContact SD-CB 3.89Å; M274-A291 VanDerWaalsContact CA-O 3.23Å; M274-A291 WeakPolarHBondContact CA-O 3.29Å; M274-A292 HydrophobicContact CE-CB 3.76Å; M274-A292 HydrophobicContact CG-CB 3.62Å; M274-A292 HydrophobicContact SD-CB 4.49Å; M274-D320 PolarHBondContact N-O 2.9Å; M274-D320 CarbonylContact O-C 3.48Å; M274-D320 VanDerWaalsContact O-C 3.23Å; M274-I321 CarbonylContact O-C 3.6Å; M274-I321 WeakPolarHBondContact O-CA 3.29Å; M274-I321 PolarHBondContact O-N 2.9Å; M274-I321 VanDerWaalsContact O-N 3.09Å; M274-A322 HydrophobicContact CB-CB 3.85Å; M274-A322 PolarHBondContact O-N 3.49Å; M274-M324 HydrophobicContact SD-CE 3.79Å; M274-M324 HydrophobicContact SD-SD 4.46Å; M274-I439 HydrophobicContact CE-CG2 3.78Å; M274-I439 HydrophobicContact SD-CG2 4.22Å; M274-F441 HydrophobicContact CE-CE1 3.86Å; M274-F441 HydrophobicContact CE-CZ 4.31Å; M274-W505 HydrophobicContact CE-CH2 3.8Å; M274-W505 HydrophobicContact CE-CZ2 4.02Å
275	L	98.6	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	162.5	157.9	69.3	89.9	0	0	0	110.1	L277 A290 A291 K299 L302 A303 G318	L275-L277 HydrophobicContact CD1-CB 4.23Å; L275-L277 HydrophobicContact CD1-CD2 3.74Å; L275-L277 HydrophobicContact CD1-CG 4.01Å; L275-A290 CarbonylContact O-C 3.53Å; L275-A290 WeakPolarHBondContact O-CA 3.36Å; L275-A291 HydrophobicContact CD1-CB 4.04Å; L275-A291 HydrophobicContact CD2-CB 3.91Å; L275-A291 HydrophobicContact CG-CB 3.78Å; L275-A291 PolarHBondContact N-O 3.45Å; L275-A291 PolarHBondContact O-N 3.41Å; L275-K299 HydrophobicContact CB-CB 4.38Å; L275-K299 HydrophobicContact CD2-CB 3.81Å; L275-K299 HydrophobicContact CD2-CG 4.12Å; L275-K299 VanDerWaalsContact CD2-O 3.29Å; L275-K299 WeakPolarHBondContact CD2-O 3.35Å; L275-L302 HydrophobicContact CD2-CB 3.98Å; L275-L302 HydrophobicContact CD2-CD2 4.2Å; L275-L302 HydrophobicContact CD2-CG 4.39Å; L275-A303 HydrophobicContact CB-CB 4.02Å; L275-A303 HydrophobicContact CD1-CB 4.3Å; L275-A303 HydrophobicContact CD2-CB 4.33Å; L275-A303 HydrophobicContact CG-CB 4.45Å; L275-G318 CarbonylContact C-O 3.47Å; L275-G318 WeakPolarHBondContact CA-O 3.35Å; L275-G318 WeakPolarHBondContact CB-O 3.14Å
276	I	98.9	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127	168.1	-52.4	163.6	0	0	0	107.9	V289 V317 G318 A322 A334 I335 V434 I436	I276-V289 WeakPolarHBondContact CA-O 3.42Å; I276-V317 HydrophobicContact CB-CB 3.79Å; I276-V317 HydrophobicContact CB-CG1 3.91Å; I276-V317 HydrophobicContact CD1-CG1 4.08Å; I276-V317 HydrophobicContact CG2-CB 3.68Å; I276-V317 HydrophobicContact CG2-CG1 3.83Å; I276-V317 HydrophobicContact CG2-CG2 4.09Å; I276-V317 WeakPolarHBondContact O-CB 3.3Å; I276-V317 PolarHBondContact O-N 3.35Å; I276-G318 PolarHBondContact N-O 3.49Å; I276-G318 PolarHBondContact O-N 3.01Å; I276-G318 VanDerWaalsContact O-N 3.11Å; I276-G318 VanDerWaalsContact O-O 3.08Å; I276-A322 HydrophobicContact CD1-CB 3.71Å; I276-A322 HydrophobicContact CG1-CB 3.72Å; I276-A334 HydrophobicContact CD1-CB 3.71Å; I276-A334 HydrophobicContact CG1-CB 4.34Å; I276-I335 WeakPolarHBondContact CD1-O 3.3Å; I276-V434 HydrophobicContact CG2-CG2 3.69Å; I276-I436 HydrophobicContact CG2-CD1 4.1Å
277	L	98.6	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.3	172.8	69	83.8	0	0	0	111.3	L275 I279 Y288 V289 L302 V314 E315 L547	L275-L277 HydrophobicContact CD1-CB 4.23Å; L275-L277 HydrophobicContact CD1-CD2 3.74Å; L275-L277 HydrophobicContact CD1-CG 4.01Å; L277-I279 HydrophobicContact CD1-CB 4Å; L277-I279 HydrophobicContact CD1-CG2 4.26Å; L277-Y288 VanDerWaalsContact O-CA 3.31Å; L277-Y288 WeakPolarHBondContact O-CA 3.38Å; L277-V289 HydrophobicContact CD1-CB 4.29Å; L277-V289 HydrophobicContact CG-CB 4.44Å; L277-V289 PolarHBondContact N-O 2.87Å; L277-V289 PolarHBondContact O-N 3.04Å; L277-L302 HydrophobicContact CD2-CG 3.9Å; L277-L302 WeakPolarHBondContact CD2-O 3.1Å; L277-V314 HydrophobicContact CB-CG1 4.38Å; L277-V314 HydrophobicContact CD1-CG1 4.43Å; L277-V314 HydrophobicContact CD2-CG1 4.46Å; L277-E315 CarbonylContact C-O 3.58Å; L277-E315 VanDerWaalsContact CA-O 3.31Å; L277-E315 WeakPolarHBondContact CA-O 3.26Å; L277-L547 HydrophobicContact CD1-CD1 4.34Å; L277-L547 HydrophobicContact CD2-CD1 4.31Å
278	G	98.8	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.1	163.8	0	0	0	0	0	109.8	R287 V314 E315	G278-R287 WeakPolarHBondContact CA-O 3.2Å; G278-V314 CarbonylContact O-C 3.45Å; G278-V314 WeakPolarHBondContact O-CA 3.26Å; G278-E315 PolarHBondContact N-O 3.04Å; G278-E315 PolarHBondContact O-N 2.85Å
279	I	98.7	Very high	98.5	Very high	3 Å²	3	25 Å²	25	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.9	172.7	-178.3	168.6	0	0	0	109.4	L277 K286 R287 V289 W312 K313 V314 L547 F551	L277-I279 HydrophobicContact CD1-CB 4Å; L277-I279 HydrophobicContact CD1-CG2 4.26Å; I279-K286 WeakPolarHBondContact O-CA 3.46Å; I279-R287 HydrophobicContact CG2-CB 4.5Å; I279-R287 PolarHBondContact N-O 2.97Å; I279-R287 PolarHBondContact O-N 3.06Å; I279-V289 HydrophobicContact CG2-CG2 4.28Å; I279-W312 HydrophobicContact CD1-CE3 3.51Å; I279-W312 HydrophobicContact CD1-CZ3 3.65Å; I279-W312 HydrophobicContact CG1-CE3 3.55Å; I279-W312 HydrophobicContact CG1-CZ3 3.76Å; I279-K313 CarbonylContact C-O 3.59Å; I279-K313 WeakPolarHBondContact CA-O 3.35Å; I279-V314 HydrophobicContact CB-CG2 4.42Å; I279-V314 HydrophobicContact CD1-CG2 4.4Å; I279-V314 HydrophobicContact CG1-CG2 4.24Å; I279-L547 HydrophobicContact CD1-CB 3.48Å; I279-L547 VanDerWaalsContact CD1-CB 3.48Å; I279-L547 HydrophobicContact CD1-CD1 3.98Å; I279-L547 HydrophobicContact CD1-CG 4.4Å; I279-F551 HydrophobicContact CG2-CD2 3.92Å
280	T	98.8	Very high	98.6	Very high	21 Å²	21	24.8 Å²	24.8	13%	0.129	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.8	-179.4	-51.8	0	0	0	0	109.5	V285 K286 W312 K313	T280-V285 WeakPolarHBondContact CA-O 3.25Å; T280-K286 HydrophobicContact CG2-CB 4.45Å; T280-K286 WeakPolarHBondContact OG1-CG 3.37Å; T280-W312 WeakPolarHBondContact O-CA 3.25Å; T280-K313 PolarHBondContact N-O 2.85Å; T280-K313 PolarHBondContact O-N 3.03Å
281	N	98.2	Very high	98.6	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.107	14%	0.14	C	C	.	.			trans	-82.3	170.7	178.2	77.6	-3	0	0	0	111.7	Q283 G284 V285 W312 F551	N281-Q283 PolarHBondContact ND2-OE1 2.84Å; N281-Q283 VanDerWaalsContact ND2-OE1 3.14Å; N281-Q283 PolarHBondContact O-N 2.63Å; N281-Q283 VanDerWaalsContact O-N 3.08Å; N281-Q283 PolarHBondContact OD1-N 3.18Å; N281-Q283 VanDerWaalsContact OD1-N 3.11Å; N281-G284 PolarHBondContact O-N 3.2Å; N281-G284 PolarHBondContact OD1-N 2.8Å; N281-G284 VanDerWaalsContact OD1-N 3.12Å; N281-V285 PolarHBondContact N-O 2.8Å; N281-V285 WeakPolarHBondContact OD1-CB 3.34Å; N281-V285 PolarHBondContact OD1-N 3.41Å; N281-V285 PolarHBondContact OD1-O 2.82Å; N281-W312 HydrophobicContact CB-CD2 4.48Å; N281-W312 HydrophobicContact CB-CE3 4.18Å; N281-W312 HydrophobicContact CB-CH2 3.67Å; N281-W312 HydrophobicContact CB-CZ2 3.97Å; N281-W312 HydrophobicContact CB-CZ3 3.78Å; N281-F551 HydrophobicContact CB-CE1 3.99Å; N281-F551 HydrophobicContact CB-CE2 4.33Å; N281-F551 HydrophobicContact CB-CZ 3.85Å; N281-F551 WeakPolarHBondContact ND2-CE1 3.18Å
282	P	97.9	Very high	98.6	Very high	70 Å²	70	24.6 Å²	24.6	46%	0.455	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.7	179.4	-25.8	35.5	0	0	0	115.3	G284	P282-G284 VanDerWaalsContact C-N 3.32Å
283	Q	97.8	Very high	98.5	Very high	149 Å²	149	24.6 Å²	24.6	70%	0.696	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.1	176.3	-64.5	73	32.1	0	0	112.8	N281	N281-Q283 PolarHBondContact ND2-OE1 2.84Å; N281-Q283 VanDerWaalsContact ND2-OE1 3.14Å; N281-Q283 PolarHBondContact O-N 2.63Å; N281-Q283 VanDerWaalsContact O-N 3.08Å; N281-Q283 PolarHBondContact OD1-N 3.18Å; N281-Q283 VanDerWaalsContact OD1-N 3.11Å
284	G	97.9	Very high	98.2	Very high	56 Å²	56	24.9 Å²	24.9	58%	0.577	14%	0.141	S	C	*	.	S	Bend	trans	83.3	6.4	-179.9	0	0	0	0	0	114.8	N281 P282	N281-G284 PolarHBondContact O-N 3.2Å; N281-G284 PolarHBondContact OD1-N 2.8Å; N281-G284 VanDerWaalsContact OD1-N 3.12Å; P282-G284 VanDerWaalsContact C-N 3.32Å
285	V	98.4	Very high	97.5	Very high	69 Å²	69	25.7 Å²	25.7	42%	0.418	15%	0.147	S	C	.	.			trans	-78.9	127.2	174.6	-176.1	0	0	0	0	108.9	T280 N281 F551	T280-V285 WeakPolarHBondContact CA-O 3.25Å; N281-V285 PolarHBondContact N-O 2.8Å; N281-V285 WeakPolarHBondContact OD1-CB 3.34Å; N281-V285 PolarHBondContact OD1-N 3.41Å; N281-V285 PolarHBondContact OD1-O 2.82Å; V285-F551 HydrophobicContact CB-CZ 3.91Å; V285-F551 HydrophobicContact CG1-CE1 4.43Å; V285-F551 HydrophobicContact CG1-CZ 3.79Å; V285-F551 WeakPolarHBondContact O-CE2 3.45Å; V285-F551 VanDerWaalsContact O-CZ 3.26Å; V285-F551 WeakPolarHBondContact O-CZ 3.36Å
286	K	98.6	Very high	96.7	Very high	61 Å²	61	27.6 Å²	27.6	27%	0.265	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.2	-179	-173.8	169.4	-175.9	170.2	0	111.5	I279 T280 Y288 E315 D425	I279-K286 WeakPolarHBondContact O-CA 3.46Å; T280-K286 HydrophobicContact CG2-CB 4.45Å; T280-K286 WeakPolarHBondContact OG1-CG 3.37Å; K286-Y288 HydrophobicContact CD-CE2 4.37Å; K286-Y288 VanDerWaalsContact CE-CZ 3.48Å; K286-Y288 VanDerWaalsContact CE-OH 3.26Å; K286-Y288 WeakPolarHBondContact CE-OH 3.43Å; K286-Y288 HydrophobicContact CG-CE2 4.39Å; K286-Y288 PolarHBondContact NZ-OH 2.89Å; K286-E315 WeakPolarHBondContact CE-OE2 3.48Å; K286-E315 IonicContact NZ-OE1 3.16Å; K286-E315 IonicContact NZ-OE2 3.6Å; K286-E315 PolarHBondContact NZ-OE2 2.82Å; K286-D425 VanDerWaalsContact CE-OD2 3.23Å; K286-D425 WeakPolarHBondContact CE-OD2 3.44Å; K286-D425 IonicContact NZ-OD1 3.78Å; K286-D425 IonicContact NZ-OD2 3.69Å; K286-D425 PolarHBondContact NZ-OD2 3.41Å
287	R	98.6	Very high	96.2	Very high	51 Å²	51	27.7 Å²	27.7	19%	0.192	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.5	173.5	-63.7	-170.8	178.3	-79.3	2.2	110.1	G278 I279 D437 F551 G555	G278-R287 WeakPolarHBondContact CA-O 3.2Å; I279-R287 HydrophobicContact CG2-CB 4.5Å; I279-R287 PolarHBondContact N-O 2.97Å; I279-R287 PolarHBondContact O-N 3.06Å; R287-D437 HydrophobicContact CB-CB 4.39Å; R287-D437 VanDerWaalsContact CB-OD2 3.26Å; R287-D437 WeakPolarHBondContact CB-OD2 3.31Å; R287-D437 WeakPolarHBondContact CD-OD2 3.33Å; R287-D437 WeakPolarHBondContact CG-OD2 3.5Å; R287-D437 IonicContact CZ-OD2 3.23Å; R287-D437 IonicContact NH1-OD1 3.67Å; R287-D437 IonicContact NH1-OD2 2.97Å; R287-D437 PolarHBondContact NH1-OD2 2.8Å; R287-F551 HydrophobicContact CB-CD2 3.92Å; R287-F551 HydrophobicContact CB-CE2 3.77Å; R287-F551 HydrophobicContact CG-CD2 3.81Å; R287-F551 HydrophobicContact CG-CE2 3.42Å; R287-F551 VanDerWaalsContact CG-CE2 3.42Å; R287-F551 HydrophobicContact CG-CZ 3.83Å; R287-F551 PolarHBondContact NE-O 3.2Å; R287-G555 VanDerWaalsContact NH2-CA 3.31Å
288	Y	98.9	Very high	95.7	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.039	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.1	174.3	-62.2	-95.5	0	0	0	111.7	L277 K286 V317 D425 Q427 V434 P435 D437	L277-Y288 VanDerWaalsContact O-CA 3.31Å; L277-Y288 WeakPolarHBondContact O-CA 3.38Å; K286-Y288 HydrophobicContact CD-CE2 4.37Å; K286-Y288 VanDerWaalsContact CE-CZ 3.48Å; K286-Y288 VanDerWaalsContact CE-OH 3.26Å; K286-Y288 WeakPolarHBondContact CE-OH 3.43Å; K286-Y288 HydrophobicContact CG-CE2 4.39Å; K286-Y288 PolarHBondContact NZ-OH 2.89Å; Y288-V317 HydrophobicContact CD1-CG2 4.19Å; Y288-V317 HydrophobicContact CE1-CG2 3.93Å; Y288-D425 VanDerWaalsContact CE1-OD2 3.31Å; Y288-D425 WeakPolarHBondContact CE1-OD2 3.43Å; Y288-D425 PolarHBondContact OH-OD1 3Å; Y288-D425 VanDerWaalsContact OH-OD1 3.09Å; Y288-D425 PolarHBondContact OH-OD2 2.8Å; Y288-Q427 PolarHBondContact OH-NE2 3.47Å; Y288-Q427 VanDerWaalsContact OH-NE2 3.12Å; Y288-V434 HydrophobicContact CD1-CB 3.64Å; Y288-V434 HydrophobicContact CD1-CG1 4Å; Y288-V434 HydrophobicContact CD1-CG2 3.6Å; Y288-V434 HydrophobicContact CD2-CB 3.89Å; Y288-V434 HydrophobicContact CE1-CB 3.7Å; Y288-V434 HydrophobicContact CE1-CG1 3.54Å; Y288-V434 HydrophobicContact CE1-CG2 4.05Å; Y288-V434 HydrophobicContact CE2-CB 3.97Å; Y288-V434 HydrophobicContact CE2-CG1 4.19Å; Y288-V434 HydrophobicContact CG-CB 3.72Å; Y288-V434 HydrophobicContact CG-CG1 4.48Å; Y288-V434 HydrophobicContact CG-CG2 3.85Å; Y288-P435 WeakPolarHBondContact CB-O 3.4Å; Y288-P435 HydrophobicContact CD2-CG 4.14Å; Y288-D437 PolarHBondContact O-N 2.86Å
289	V	98.8	Very high	95.6	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.8	-175.1	-179.2	0	0	0	0	109	I276 L277 I279 A438 I440	I276-V289 WeakPolarHBondContact CA-O 3.42Å; L277-V289 HydrophobicContact CD1-CB 4.29Å; L277-V289 HydrophobicContact CG-CB 4.44Å; L277-V289 PolarHBondContact N-O 2.87Å; L277-V289 PolarHBondContact O-N 3.04Å; I279-V289 HydrophobicContact CG2-CG2 4.28Å; V289-A438 WeakPolarHBondContact CA-O 3.48Å; V289-A438 HydrophobicContact CG1-CB 4.14Å; V289-A438 HydrophobicContact CG2-CB 4.15Å; V289-I440 HydrophobicContact CG1-CD1 3.41Å; V289-I440 VanDerWaalsContact CG1-CD1 3.41Å; V289-I440 HydrophobicContact CG1-CG1 3.68Å
290	A	98.9	Very high	95.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.2	166.9	0	0	0	0	0	110	M274 L275 M324 I436 A438 I439 I440	M274-A290 HydrophobicContact CB-CB 4.28Å; M274-A290 HydrophobicContact SD-CB 3.89Å; L275-A290 CarbonylContact O-C 3.53Å; L275-A290 WeakPolarHBondContact O-CA 3.36Å; A290-M324 HydrophobicContact CB-SD 4.24Å; A290-I436 HydrophobicContact CB-CD1 4.39Å; A290-I436 HydrophobicContact CB-CG2 4.27Å; A290-A438 PolarHBondContact N-O 2.88Å; A290-I439 HydrophobicContact CB-CG1 4.48Å; A290-I439 CarbonylContact O-C 3.55Å; A290-I439 VanDerWaalsContact O-CA 3.3Å; A290-I439 WeakPolarHBondContact O-CA 3.48Å; A290-I440 PolarHBondContact O-N 2.93Å
291	A	98.8	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	124.4	177.9	0	0	0	0	0	114.2	M274 L275 F293 L302 I440	M274-A291 VanDerWaalsContact CA-O 3.23Å; M274-A291 WeakPolarHBondContact CA-O 3.29Å; L275-A291 HydrophobicContact CD1-CB 4.04Å; L275-A291 HydrophobicContact CD2-CB 3.91Å; L275-A291 HydrophobicContact CG-CB 3.78Å; L275-A291 PolarHBondContact N-O 3.45Å; L275-A291 PolarHBondContact O-N 3.41Å; A291-F293 HydrophobicContact CB-CE1 4.25Å; A291-F293 HydrophobicContact CB-CE2 4.28Å; A291-F293 HydrophobicContact CB-CZ 3.9Å; A291-L302 HydrophobicContact CB-CD2 4.39Å; A291-I440 CarbonylContact C-O 3.54Å; A291-I440 WeakPolarHBondContact CA-O 2.95Å; A291-I440 HydrophobicContact CB-CB 3.8Å
292	A	98.6	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	105.2	178.5	0	0	0	0	0	110.7	M274 I440 F441 G442 F488 A489	M274-A292 HydrophobicContact CE-CB 3.76Å; M274-A292 HydrophobicContact CG-CB 3.62Å; M274-A292 HydrophobicContact SD-CB 4.49Å; A292-I440 PolarHBondContact N-O 3.47Å; A292-F441 HydrophobicContact CB-CD1 3.82Å; A292-F441 HydrophobicContact CB-CE1 3.98Å; A292-G442 PolarHBondContact O-N 2.85Å; A292-F488 WeakPolarHBondContact CB-O 3.37Å; A292-A489 HydrophobicContact CB-CB 4.25Å
293	F	97.4	Very high	95.1	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	16%	0.162	C	C	.	.			trans	-120.7	143.2	168.2	-47	-38.8	0	0	0	110.1	A291 C297 K299 L302 I440 G442 V523 W525	A291-F293 HydrophobicContact CB-CE1 4.25Å; A291-F293 HydrophobicContact CB-CE2 4.28Å; A291-F293 HydrophobicContact CB-CZ 3.9Å; F293-C297 HydrophobicContact CB-CB 3.86Å; F293-K299 HydrophobicContact CB-CG 3.8Å; F293-K299 HydrophobicContact CD2-CG 3.88Å; F293-K299 HydrophobicContact CG-CG 4.17Å; F293-K299 PolarHBondContact O-NZ 3.06Å; F293-L302 HydrophobicContact CE2-CD2 3.64Å; F293-L302 HydrophobicContact CZ-CD2 3.86Å; F293-I440 HydrophobicContact CE1-CG2 4.05Å; F293-I440 HydrophobicContact CZ-CG2 4.2Å; F293-G442 WeakPolarHBondContact CA-O 3.27Å; F293-G442 WeakPolarHBondContact CD1-O 3.08Å; F293-V523 HydrophobicContact CE1-CG2 3.54Å; F293-V523 HydrophobicContact CZ-CG2 3.63Å; F293-W525 AromaticContact CE2-NE1 3.84Å; F293-W525 HydrophobicContact CZ-CZ2 4.5Å; F293-W525 AromaticContact CZ-NE1 3.92Å
294	P	92.1	Very high	95.1	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.039	13%	0.129	C	C	.	.			trans	-52.8	161.1	172.5	-30.3	38.6	0	0	0	113.1	A296 C297 G442 M468 D486 A489	P294-A296 PolarHBondContact O-N 2.9Å; P294-C297 VanDerWaalsContact O-CB 3.25Å; P294-C297 WeakPolarHBondContact O-CB 3.47Å; P294-C297 PolarHBondContact O-N 3.39Å; P294-G442 WeakPolarHBondContact CD-O 3.27Å; P294-M468 HydrophobicContact CG-CE 4.27Å; P294-D486 WeakPolarHBondContact CB-OD2 3.28Å; P294-D486 HydrophobicContact CG-CB 3.91Å; P294-A489 HydrophobicContact CG-CB 4.2Å
295	S	84.7	Confident	95	Very high	18 Å²	18	17.8 Å²	17.8	13%	0.126	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	136.6	178.9	-63.4	0	0	0	0	111.3	C297 T473	S295-C297 VanDerWaalsContact C-N 3.29Å; S295-C297 PolarHBondContact O-N 3.03Å; S295-T473 WeakPolarHBondContact O-CG2 3.14Å; S295-T473 PolarHBondContact O-OG1 2.85Å
296	A	82.3	Confident	94.9	Very high	40 Å²	40	20.5 Å²	20.5	33%	0.331	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	27.3	-175.2	0	0	0	0	0	115.2	P294 R444 T473	P294-A296 PolarHBondContact O-N 2.9Å; A296-R444 PolarHBondContact O-NE 3.35Å; A296-R444 VanDerWaalsContact O-NE 3.14Å; A296-R444 PolarHBondContact O-NH2 2.97Å; A296-T473 HydrophobicContact CB-CG2 4.17Å
297	C	88.1	Confident	94.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.104	C	C	.	.	S	Bend	trans	-107.9	20.3	173.6	-61.4	0	0	0	0	114.2	F293 P294 S295 R444 S470	F293-C297 HydrophobicContact CB-CB 3.86Å; P294-C297 VanDerWaalsContact O-CB 3.25Å; P294-C297 WeakPolarHBondContact O-CB 3.47Å; P294-C297 PolarHBondContact O-N 3.39Å; S295-C297 VanDerWaalsContact C-N 3.29Å; S295-C297 PolarHBondContact O-N 3.03Å; C297-R444 HydrophobicContact CB-CG 4.48Å; C297-S470 PolarHBondContact SG-OG 2.95Å
298	G	88.4	Confident	94.6	Very high	20 Å²	20	18.4 Å²	18.4	21%	0.206	11%	0.111	C	C	.	.	S	Bend	trans	101.4	13.7	165.9	0	0	0	0	0	116.9	N301 L302	G298-N301 PolarHBondContact O-N 3.02Å; G298-L302 PolarHBondContact O-N 3.32Å
299	K	95.8	Very high	94.4	Very high	14 Å²	14	18.3 Å²	18.3	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-55.5	178.4	-67.2	-159.1	-64.7	-69.6	0	112.8	H273 L275 F293 N301 L302 A303 D319 D320	H273-K299 PolarHBondContact CD2-NZ 2.82Å; H273-K299 PolarHBondContact CE1-NZ 2.71Å; H273-K299 PolarHBondContact NE2-NZ 3.08Å; L275-K299 HydrophobicContact CB-CB 4.38Å; L275-K299 HydrophobicContact CD2-CB 3.81Å; L275-K299 HydrophobicContact CD2-CG 4.12Å; L275-K299 VanDerWaalsContact CD2-O 3.29Å; L275-K299 WeakPolarHBondContact CD2-O 3.35Å; F293-K299 HydrophobicContact CB-CG 3.8Å; F293-K299 HydrophobicContact CD2-CG 3.88Å; F293-K299 HydrophobicContact CG-CG 4.17Å; F293-K299 PolarHBondContact O-NZ 3.06Å; K299-N301 VanDerWaalsContact C-N 3.3Å; K299-N301 PolarHBondContact O-N 3.06Å; K299-L302 PolarHBondContact O-N 3.43Å; K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.2Å; K299-D319 VanDerWaalsContact CB-O 3.24Å; K299-D319 WeakPolarHBondContact CB-O 3.47Å; K299-D320 WeakPolarHBondContact CE-OD1 3.43Å; K299-D320 IonicContact NZ-OD1 2.7Å
300	T	93.9	Very high	94.2	Very high	27 Å²	27	23.7 Å²	23.7	17%	0.166	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-39.9	178.7	-45.5	0	0	0	0	112.8	L302 M304 D319 N353	T300-L302 PolarHBondContact O-N 2.92Å; T300-M304 HydrophobicContact CG2-SD 3.77Å; T300-M304 WeakPolarHBondContact O-CB 3.45Å; T300-M304 PolarHBondContact O-N 3.47Å; T300-M304 VanDerWaalsContact O-N 3.09Å; T300-D319 WeakPolarHBondContact CB-OD2 3.22Å; T300-D319 HydrophobicContact CG2-CB 4.45Å; T300-D319 WeakPolarHBondContact CG2-OD2 3.23Å; T300-D319 PolarHBondContact OG1-OD2 2.89Å; T300-N353 PolarHBondContact O-ND2 3.29Å
301	N	94.4	Very high	94.1	Very high	41 Å²	41	26.3 Å²	26.3	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-37.9	175.6	-67.1	86.3	0	0	0	112.8	G298 K299 M305 T352	G298-N301 PolarHBondContact O-N 3.02Å; K299-N301 VanDerWaalsContact C-N 3.3Å; K299-N301 PolarHBondContact O-N 3.06Å; N301-M305 VanDerWaalsContact O-CA 3.28Å; N301-M305 WeakPolarHBondContact O-CA 3.23Å; N301-M305 WeakPolarHBondContact O-CB 3.42Å; N301-M305 PolarHBondContact O-N 3.32Å; N301-T352 PolarHBondContact ND2-O 2.78Å; N301-T352 VanDerWaalsContact ND2-O 3.11Å
302	L	97.1	Very high	94	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-75.2	-44.1	179.2	-170.7	64	0	0	0	111.5	L275 L277 A291 F293 G298 K299 T300 M304 M305 N543 L547	L275-L302 HydrophobicContact CD2-CB 3.98Å; L275-L302 HydrophobicContact CD2-CD2 4.2Å; L275-L302 HydrophobicContact CD2-CG 4.39Å; L277-L302 HydrophobicContact CD2-CG 3.9Å; L277-L302 WeakPolarHBondContact CD2-O 3.1Å; A291-L302 HydrophobicContact CB-CD2 4.39Å; F293-L302 HydrophobicContact CE2-CD2 3.64Å; F293-L302 HydrophobicContact CZ-CD2 3.86Å; G298-L302 PolarHBondContact O-N 3.32Å; K299-L302 PolarHBondContact O-N 3.43Å; T300-L302 PolarHBondContact O-N 2.92Å; L302-M304 VanDerWaalsContact C-N 3.27Å; L302-M304 PolarHBondContact O-N 3.31Å; L302-M305 HydrophobicContact CD1-CE 4.49Å; L302-M305 HydrophobicContact CD1-SD 4.22Å; L302-M305 VanDerWaalsContact O-CB 3.31Å; L302-M305 WeakPolarHBondContact O-CB 3.45Å; L302-M305 PolarHBondContact O-N 3.43Å; L302-N543 HydrophobicContact CD1-CB 4.1Å; L302-L547 HydrophobicContact CD1-CD1 4Å; L302-L547 HydrophobicContact CD1-CG 4.44Å
303	A	98	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-35.1	179.8	0	0	0	0	0	112.6	L275 K299 C316 D319	L275-A303 HydrophobicContact CB-CB 4.02Å; L275-A303 HydrophobicContact CD1-CB 4.3Å; L275-A303 HydrophobicContact CD2-CB 4.33Å; L275-A303 HydrophobicContact CG-CB 4.45Å; K299-A303 WeakPolarHBondContact O-CB 3.23Å; K299-A303 PolarHBondContact O-N 3.2Å; A303-C316 WeakPolarHBondContact O-CB 3.36Å; A303-D319 HydrophobicContact CB-CB 3.97Å
304	M	97.1	Very high	94.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	33.2	-179.7	-51.4	171.2	82.4	0	0	111.6	T300 L302 C316 F341 N353 Y355 A356 T359 C421 I423	T300-M304 HydrophobicContact CG2-SD 3.77Å; T300-M304 WeakPolarHBondContact O-CB 3.45Å; T300-M304 PolarHBondContact O-N 3.47Å; T300-M304 VanDerWaalsContact O-N 3.09Å; L302-M304 VanDerWaalsContact C-N 3.27Å; L302-M304 PolarHBondContact O-N 3.31Å; M304-C316 HydrophobicContact CG-CB 4.28Å; M304-F341 HydrophobicContact CE-CD2 4.29Å; M304-F341 HydrophobicContact CE-CE2 3.96Å; M304-F341 HydrophobicContact CE-CZ 4.39Å; M304-F341 HydrophobicContact SD-CE2 4.46Å; M304-N353 PolarHBondContact O-OD1 2.91Å; M304-Y355 WeakPolarHBondContact O-CD2 3.38Å; M304-A356 HydrophobicContact CE-CB 4.35Å; M304-A356 HydrophobicContact SD-CB 4.33Å; M304-T359 HydrophobicContact CE-CG2 4.48Å; M304-T359 WeakPolarHBondContact CE-OG1 3.33Å; M304-C421 HydrophobicContact CE-CB 3.99Å; M304-C421 WeakPolarHBondContact CE-SG 3.17Å; M304-I423 HydrophobicContact CB-CD1 4.4Å
305	M	96.8	Very high	94.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.025	20%	0.202	C	C	.	.			trans	-70.5	138.1	-174.9	-176.2	178.9	60.1	0	0	111.4	N301 L302 P307 V314 N543 A544 L547	N301-M305 VanDerWaalsContact O-CA 3.28Å; N301-M305 WeakPolarHBondContact O-CA 3.23Å; N301-M305 WeakPolarHBondContact O-CB 3.42Å; N301-M305 PolarHBondContact O-N 3.32Å; L302-M305 HydrophobicContact CD1-CE 4.49Å; L302-M305 HydrophobicContact CD1-SD 4.22Å; L302-M305 VanDerWaalsContact O-CB 3.31Å; L302-M305 WeakPolarHBondContact O-CB 3.45Å; L302-M305 PolarHBondContact O-N 3.43Å; M305-P307 HydrophobicContact CE-CG 4.42Å; M305-P307 WeakPolarHBondContact O-CD 3.27Å; M305-V314 HydrophobicContact CB-CG1 4.43Å; M305-V314 HydrophobicContact CE-CG2 3.7Å; M305-N543 HydrophobicContact SD-CB 3.91Å; M305-A544 HydrophobicContact CE-CB 3.63Å; M305-A544 HydrophobicContact SD-CB 4.23Å; M305-L547 HydrophobicContact CE-CD1 3.72Å
306	K	96.8	Very high	95.1	Very high	126 Å²	126	32.3 Å²	32.3	55%	0.548	20%	0.196	S	C	.	.			trans	-88.9	109.7	159.3	-175.5	178.5	177.9	-178.5	0	108.7	A308 P354 Y355 G541	K306-A308 PolarHBondContact O-N 2.89Å; K306-P354 HydrophobicContact CB-CG 4.24Å; K306-P354 HydrophobicContact CD-CG 4.18Å; K306-Y355 HydrophobicContact CB-CD2 4.27Å; K306-Y355 HydrophobicContact CB-CE2 3.65Å; K306-Y355 HydrophobicContact CG-CE2 4.15Å; K306-G541 WeakPolarHBondContact O-CA 3.45Å
307	P	96.3	Very high	95.8	Very high	25 Å²	25	30.4 Å²	30.4	16%	0.162	18%	0.181	C	C	.	.			trans	-60.6	136.7	-179	-24.9	36.9	0	0	0	111.7	M305 I309 W312 V314 A544	M305-P307 HydrophobicContact CE-CG 4.42Å; M305-P307 WeakPolarHBondContact O-CD 3.27Å; P307-I309 VanDerWaalsContact C-N 3.35Å; P307-W312 HydrophobicContact CB-CB 4.21Å; P307-V314 HydrophobicContact CG-CB 4.16Å; P307-V314 HydrophobicContact CG-CG2 3.8Å; P307-A544 HydrophobicContact CB-CB 3.77Å
308	A	94	Very high	96.3	Very high	43 Å²	43	30.4 Å²	30.4	36%	0.355	18%	0.181	S	C	.	.	S	Bend	trans	-81.3	-17.4	174.3	0	0	0	0	0	113.1	K306 G541 E542	K306-A308 PolarHBondContact O-N 2.89Å; A308-G541 WeakPolarHBondContact CB-O 3.42Å; A308-G541 PolarHBondContact N-O 2.8Å; A308-E542 HydrophobicContact CB-CG 4.32Å; A308-E542 VanDerWaalsContact CB-OE1 3.25Å; A308-E542 WeakPolarHBondContact CB-OE1 3.34Å; A308-E542 WeakPolarHBondContact CB-OE2 3.48Å
309	I	93.9	Very high	96.8	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.041	17%	0.172	C	C	.	.	S	Bend	trans	-91.5	129.2	179.8	54.4	179.5	0	0	0	111.1	P307 W312 A544 R545 E548	P307-I309 VanDerWaalsContact C-N 3.35Å; I309-W312 HydrophobicContact CD1-CB 4.21Å; I309-W312 HydrophobicContact CD1-CD2 4.01Å; I309-W312 HydrophobicContact CD1-CG 3.58Å; I309-W312 HydrophobicContact CG1-CB 3.91Å; I309-W312 VanDerWaalsContact CG1-CD1 3.47Å; I309-W312 HydrophobicContact CG1-CG 3.75Å; I309-A544 HydrophobicContact CD1-CB 3.87Å; I309-A544 HydrophobicContact CG1-CB 3.76Å; I309-R545 HydrophobicContact CG2-CG 3.66Å; I309-E548 HydrophobicContact CD1-CB 4.15Å
310	P	94.3	Very high	96.9	Very high	118 Å²	118	29.9 Å²	29.9	77%	0.766	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	146.4	-178.9	-25.3	34.5	0	0	0	113.7	W312	P310-W312 PolarHBondContact O-N 3.24Å
311	G	96.6	Very high	97.1	Very high	55 Å²	55	28.6 Å²	28.6	57%	0.567	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	-12.6	175.6	0	0	0	0	0	115.3
312	W	98.1	Very high	97.3	Very high	29 Å²	29	26.6 Å²	26.6	11%	0.11	16%	0.155	C	C	.	.			trans	-85.9	138.9	171.7	-71.3	80.9	0	0	0	111.2	I279 T280 N281 P307 I309 P310 E548 F551	I279-W312 HydrophobicContact CD1-CE3 3.51Å; I279-W312 HydrophobicContact CD1-CZ3 3.65Å; I279-W312 HydrophobicContact CG1-CE3 3.55Å; I279-W312 HydrophobicContact CG1-CZ3 3.76Å; T280-W312 WeakPolarHBondContact O-CA 3.25Å; N281-W312 HydrophobicContact CB-CD2 4.48Å; N281-W312 HydrophobicContact CB-CE3 4.18Å; N281-W312 HydrophobicContact CB-CH2 3.67Å; N281-W312 HydrophobicContact CB-CZ2 3.97Å; N281-W312 HydrophobicContact CB-CZ3 3.78Å; P307-W312 HydrophobicContact CB-CB 4.21Å; I309-W312 HydrophobicContact CD1-CB 4.21Å; I309-W312 HydrophobicContact CD1-CD2 4.01Å; I309-W312 HydrophobicContact CD1-CG 3.58Å; I309-W312 HydrophobicContact CG1-CB 3.91Å; I309-W312 VanDerWaalsContact CG1-CD1 3.47Å; I309-W312 HydrophobicContact CG1-CG 3.75Å; P310-W312 PolarHBondContact O-N 3.24Å; W312-E548 HydrophobicContact CH2-CB 3.86Å; W312-E548 HydrophobicContact CH2-CG 3.99Å; W312-E548 HydrophobicContact CZ2-CB 3.59Å; W312-E548 HydrophobicContact CZ2-CG 3.45Å; W312-E548 VanDerWaalsContact CZ2-CG 3.45Å; W312-E548 HydrophobicContact CZ3-CB 4.49Å; W312-F551 HydrophobicContact CH2-CB 3.86Å; W312-F551 AromaticContact CH2-CD1 3.94Å; W312-F551 HydrophobicContact CH2-CD1 3.94Å; W312-F551 HydrophobicContact CH2-CD2 4.2Å; W312-F551 AromaticContact CH2-CG 3.74Å; W312-F551 HydrophobicContact CH2-CG 3.74Å; W312-F551 HydrophobicContact CZ3-CB 4.01Å; W312-F551 HydrophobicContact CZ3-CD1 4.37Å; W312-F551 AromaticContact CZ3-CD2 3.8Å; W312-F551 HydrophobicContact CZ3-CD2 3.8Å; W312-F551 HydrophobicContact CZ3-CE2 4.34Å; W312-F551 AromaticContact CZ3-CG 3.81Å; W312-F551 HydrophobicContact CZ3-CG 3.81Å
313	K	98.3	Very high	97.4	Very high	104 Å²	104	26.5 Å²	26.5	45%	0.452	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.2	177.2	-174.7	-173.7	176.4	-159.5	0	109.8	I279 T280 E315	I279-K313 CarbonylContact C-O 3.59Å; I279-K313 WeakPolarHBondContact CA-O 3.35Å; T280-K313 PolarHBondContact N-O 2.85Å; T280-K313 PolarHBondContact O-N 3.03Å; K313-E315 HydrophobicContact CD-CG 4.22Å; K313-E315 VanDerWaalsContact CE-CD 3.42Å; K313-E315 WeakPolarHBondContact CE-OE1 3.37Å; K313-E315 HydrophobicContact CG-CG 4.29Å; K313-E315 IonicContact NZ-OE1 3.66Å; K313-E315 PolarHBondContact NZ-OE1 2.93Å; K313-E315 IonicContact NZ-OE2 3.46Å
314	V	98.6	Very high	97.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.8	170.5	168.4	0	0	0	0	109	L277 G278 I279 M305 P307	L277-V314 HydrophobicContact CB-CG1 4.38Å; L277-V314 HydrophobicContact CD1-CG1 4.43Å; L277-V314 HydrophobicContact CD2-CG1 4.46Å; G278-V314 CarbonylContact O-C 3.45Å; G278-V314 WeakPolarHBondContact O-CA 3.26Å; I279-V314 HydrophobicContact CB-CG2 4.42Å; I279-V314 HydrophobicContact CD1-CG2 4.4Å; I279-V314 HydrophobicContact CG1-CG2 4.24Å; M305-V314 HydrophobicContact CB-CG1 4.43Å; M305-V314 HydrophobicContact CE-CG2 3.7Å; P307-V314 HydrophobicContact CG-CB 4.16Å; P307-V314 HydrophobicContact CG-CG2 3.8Å
315	E	98.8	Very high	97.5	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.6	179.6	-67.2	171.5	110.9	0	0	109.5	L277 G278 K286 K313 I423 D425 P426	L277-E315 CarbonylContact C-O 3.58Å; L277-E315 VanDerWaalsContact CA-O 3.31Å; L277-E315 WeakPolarHBondContact CA-O 3.26Å; G278-E315 PolarHBondContact N-O 3.04Å; G278-E315 PolarHBondContact O-N 2.85Å; K286-E315 WeakPolarHBondContact CE-OE2 3.48Å; K286-E315 IonicContact NZ-OE1 3.16Å; K286-E315 IonicContact NZ-OE2 3.6Å; K286-E315 PolarHBondContact NZ-OE2 2.82Å; K313-E315 HydrophobicContact CD-CG 4.22Å; K313-E315 VanDerWaalsContact CE-CD 3.42Å; K313-E315 WeakPolarHBondContact CE-OE1 3.37Å; K313-E315 HydrophobicContact CG-CG 4.29Å; K313-E315 IonicContact NZ-OE1 3.66Å; K313-E315 PolarHBondContact NZ-OE1 2.93Å; K313-E315 IonicContact NZ-OE2 3.46Å; E315-I423 CarbonylContact C-O 3.24Å; E315-I423 WeakPolarHBondContact CA-O 3.44Å; E315-D425 HydrophobicContact CB-CB 3.95Å; E315-D425 WeakPolarHBondContact CB-OD2 3.47Å; E315-P426 WeakPolarHBondContact OE1-CD 3.45Å
316	C	98.8	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.2	-174.6	-176.1	0	0	0	0	110.7	A303 M304 I423 I424 D425	A303-C316 WeakPolarHBondContact O-CB 3.36Å; M304-C316 HydrophobicContact CG-CB 4.28Å; C316-I423 PolarHBondContact N-O 2.82Å; C316-I424 WeakPolarHBondContact O-CD1 3.38Å; C316-D425 WeakPolarHBondContact O-CB 3.26Å; C316-D425 PolarHBondContact O-N 2.99Å
317	V	98.8	Very high	97.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-42.3	167.5	169.3	0	0	0	0	110	I276 Y288 N336 D425 V434	I276-V317 HydrophobicContact CB-CB 3.79Å; I276-V317 HydrophobicContact CB-CG1 3.91Å; I276-V317 HydrophobicContact CD1-CG1 4.08Å; I276-V317 HydrophobicContact CG2-CB 3.68Å; I276-V317 HydrophobicContact CG2-CG1 3.83Å; I276-V317 HydrophobicContact CG2-CG2 4.09Å; I276-V317 WeakPolarHBondContact O-CB 3.3Å; I276-V317 PolarHBondContact O-N 3.35Å; Y288-V317 HydrophobicContact CD1-CG2 4.19Å; Y288-V317 HydrophobicContact CE1-CG2 3.93Å; V317-N336 HydrophobicContact CG1-CB 4.1Å; V317-N336 VanDerWaalsContact O-CB 3.29Å; V317-N336 WeakPolarHBondContact O-CB 3.33Å; V317-N336 PolarHBondContact O-ND2 2.68Å; V317-D425 HydrophobicContact CG2-CB 3.55Å; V317-V434 HydrophobicContact CG1-CG2 4.48Å; V317-V434 HydrophobicContact CG2-CG1 4.28Å; V317-V434 HydrophobicContact CG2-CG2 4.32Å
318	G	98.5	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	155.5	175.4	0	0	0	0	0	111.6	L275 I276 N336	L275-G318 CarbonylContact C-O 3.47Å; L275-G318 WeakPolarHBondContact CA-O 3.35Å; L275-G318 WeakPolarHBondContact CB-O 3.14Å; I276-G318 PolarHBondContact N-O 3.49Å; I276-G318 PolarHBondContact O-N 3.01Å; I276-G318 VanDerWaalsContact O-N 3.11Å; I276-G318 VanDerWaalsContact O-O 3.08Å; G318-N336 VanDerWaalsContact CA-ND2 3.27Å; G318-N336 WeakPolarHBondContact CA-ND2 3.21Å
319	D	98	Very high	97.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-109.2	-5.4	-170.9	85.6	-40.6	0	0	0	115.2	K299 T300 A303 F341	K299-D319 VanDerWaalsContact CB-O 3.24Å; K299-D319 WeakPolarHBondContact CB-O 3.47Å; T300-D319 WeakPolarHBondContact CB-OD2 3.22Å; T300-D319 HydrophobicContact CG2-CB 4.45Å; T300-D319 WeakPolarHBondContact CG2-OD2 3.23Å; T300-D319 PolarHBondContact OG1-OD2 2.89Å; A303-D319 HydrophobicContact CB-CB 3.97Å; D319-F341 HydrophobicContact CB-CD1 3.98Å; D319-F341 HydrophobicContact CB-CE1 4.14Å; D319-F341 WeakPolarHBondContact OD1-CD1 3.46Å
320	D	98.1	Very high	97.3	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	19%	0.193	C	C	.	.	S	Bend	trans	-144.5	-36.5	-166.1	-168.1	42.3	0	0	0	115.1	K252 K253 H273 M274 K299	K252-D320 VanDerWaalsContact CE-OD2 3.22Å; K252-D320 WeakPolarHBondContact CE-OD2 3.46Å; K252-D320 IonicContact NZ-OD2 3.22Å; K252-D320 PolarHBondContact NZ-OD2 3.48Å; K253-D320 WeakPolarHBondContact CE-OD2 3.28Å; K253-D320 IonicContact NZ-OD1 3.43Å; K253-D320 PolarHBondContact NZ-OD1 3.37Å; K253-D320 IonicContact NZ-OD2 3.47Å; K253-D320 PolarHBondContact NZ-OD2 2.74Å; H273-D320 CarbonylContact C-O 3.53Å; H273-D320 VanDerWaalsContact C-O 3.31Å; H273-D320 WeakPolarHBondContact CA-O 3.15Å; H273-D320 PolarHBondContact CD2-O 2.76Å; H273-D320 VanDerWaalsContact CD2-O 3.22Å; H273-D320 IonicContact CD2-OD1 2.82Å; H273-D320 PolarHBondContact CD2-OD1 3.01Å; H273-D320 VanDerWaalsContact CD2-OD1 3.23Å; H273-D320 IonicContact NE2-OD1 3.22Å; H273-D320 PolarHBondContact NE2-OD1 2.83Å; M274-D320 PolarHBondContact N-O 2.9Å; M274-D320 CarbonylContact O-C 3.48Å; M274-D320 VanDerWaalsContact O-C 3.23Å; K299-D320 WeakPolarHBondContact CE-OD1 3.43Å; K299-D320 IonicContact NZ-OD1 2.7Å
321	I	98.7	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.			trans	-133.5	137	-175.2	-52.2	178.5	0	0	0	110.5	K252 A256 L257 E272 M274 P337 E338	K252-I321 HydrophobicContact CG-CD1 4.33Å; A256-I321 HydrophobicContact CB-CD1 3.75Å; A256-I321 HydrophobicContact CB-CG2 4.04Å; L257-I321 HydrophobicContact CD2-CG1 4.4Å; L257-I321 HydrophobicContact CD2-CG2 3.91Å; L257-I321 HydrophobicContact CG-CD1 4.35Å; L257-I321 HydrophobicContact CG-CG1 4.46Å; E272-I321 WeakPolarHBondContact O-CA 3.44Å; M274-I321 CarbonylContact O-C 3.6Å; M274-I321 WeakPolarHBondContact O-CA 3.29Å; M274-I321 PolarHBondContact O-N 2.9Å; M274-I321 VanDerWaalsContact O-N 3.09Å; I321-P337 HydrophobicContact CB-CG 3.96Å; I321-P337 HydrophobicContact CG2-CG 3.5Å; I321-P337 WeakPolarHBondContact O-CD 3.32Å; I321-E338 HydrophobicContact CD1-CG 4.11Å
322	A	98.8	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.7	174.2	0	0	0	0	0	110.3	E272 M274 I276 M324	E272-A322 PolarHBondContact N-O 2.82Å; E272-A322 PolarHBondContact O-N 2.84Å; M274-A322 HydrophobicContact CB-CB 3.85Å; M274-A322 PolarHBondContact O-N 3.49Å; I276-A322 HydrophobicContact CD1-CB 3.71Å; I276-A322 HydrophobicContact CG1-CB 3.72Å; A322-M324 HydrophobicContact CB-CG 4.1Å; A322-M324 HydrophobicContact CB-SD 4.39Å
323	W	98.8	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.6	165.9	-70.2	-3.6	0	0	0	108.9	M154 L161 K163 F255 A256 A260 W269 L270 A334 I335 P337	M154-W323 HydrophobicContact CB-CH2 3.32Å; M154-W323 HydrophobicContact CB-CZ2 4.01Å; M154-W323 HydrophobicContact CB-CZ3 3.85Å; M154-W323 HydrophobicContact CG-CH2 4.17Å; M154-W323 WeakPolarHBondContact O-CZ3 3.21Å; L161-W323 VanDerWaalsContact O-CE3 3.22Å; L161-W323 VanDerWaalsContact O-CZ3 3.29Å; L161-W323 WeakPolarHBondContact O-CZ3 3.14Å; K163-W323 HydrophobicContact CB-CH2 3.79Å; K163-W323 HydrophobicContact CB-CZ3 3.95Å; K163-W323 HydrophobicContact CG-CH2 3.78Å; K163-W323 HydrophobicContact CG-CZ3 3.67Å; F255-W323 HydrophobicContact CZ-CH2 4.47Å; A256-W323 HydrophobicContact CB-CZ2 3.93Å; A256-W323 PolarHBondContact O-NE1 3.13Å; A260-W323 HydrophobicContact CB-CZ2 3.75Å; W269-W323 HydrophobicContact CE3-CB 4.28Å; W269-W323 HydrophobicContact CE3-CG 4.45Å; W269-W323 AromaticContact CH2-CD2 3.95Å; W269-W323 HydrophobicContact CH2-CD2 3.95Å; W269-W323 HydrophobicContact CH2-CE3 4.35Å; W269-W323 HydrophobicContact CH2-CG 4.15Å; W269-W323 HydrophobicContact CZ3-CB 3.82Å; W269-W323 AromaticContact CZ3-CD1 3.76Å; W269-W323 AromaticContact CZ3-CD2 3.84Å; W269-W323 HydrophobicContact CZ3-CD2 3.84Å; W269-W323 HydrophobicContact CZ3-CE3 4.47Å; W269-W323 AromaticContact CZ3-CG 3.54Å; W269-W323 HydrophobicContact CZ3-CG 3.54Å; L270-W323 CarbonylContact O-C 3.58Å; L270-W323 WeakPolarHBondContact O-CA 3.29Å; W323-A334 CarbonylContact O-C 3.49Å; W323-A334 VanDerWaalsContact O-CA 3.3Å; W323-A334 WeakPolarHBondContact O-CA 3.43Å; W323-I335 HydrophobicContact CB-CG1 3.96Å; W323-I335 HydrophobicContact CE3-CD1 4.15Å; W323-I335 PolarHBondContact N-O 2.9Å; W323-I335 PolarHBondContact O-N 2.9Å; W323-P337 HydrophobicContact CD2-CB 3.83Å; W323-P337 HydrophobicContact CD2-CG 4.01Å; W323-P337 HydrophobicContact CE3-CB 3.99Å; W323-P337 HydrophobicContact CG-CB 4.36Å; W323-P337 HydrophobicContact CG-CG 4.09Å; W323-P337 HydrophobicContact CH2-CB 4.28Å; W323-P337 HydrophobicContact CZ2-CB 4.12Å; W323-P337 HydrophobicContact CZ3-CB 4.19Å
324	M	98.5	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.1	-168.6	-49.3	-177.7	-75.8	0	0	112.3	W269 L270 E272 M274 A290 A322 L332 R333 A334 I436 W505	W269-M324 CarbonylContact C-O 3.07Å; W269-M324 WeakPolarHBondContact CB-O 3.45Å; L270-M324 HydrophobicContact CB-CB 4.3Å; L270-M324 HydrophobicContact CB-CE 4.1Å; L270-M324 HydrophobicContact CD1-CE 4.08Å; L270-M324 PolarHBondContact N-O 2.81Å; L270-M324 PolarHBondContact O-N 3.27Å; E272-M324 HydrophobicContact CB-CE 4.09Å; E272-M324 HydrophobicContact CG-CE 3.57Å; M274-M324 HydrophobicContact SD-CE 3.79Å; M274-M324 HydrophobicContact SD-SD 4.46Å; A290-M324 HydrophobicContact CB-SD 4.24Å; A322-M324 HydrophobicContact CB-CG 4.1Å; A322-M324 HydrophobicContact CB-SD 4.39Å; M324-L332 HydrophobicContact CB-CD1 3.75Å; M324-L332 HydrophobicContact CB-CD2 4.28Å; M324-L332 HydrophobicContact CB-CG 4.01Å; M324-L332 HydrophobicContact SD-CD2 3.98Å; M324-R333 CarbonylContact C-O 3.56Å; M324-R333 WeakPolarHBondContact CA-O 3.33Å; M324-A334 HydrophobicContact CB-CB 4.48Å; M324-A334 HydrophobicContact CG-CB 3.72Å; M324-A334 HydrophobicContact SD-CB 4.46Å; M324-I436 HydrophobicContact SD-CG1 4.42Å; M324-W505 HydrophobicContact CE-CH2 4.44Å
325	K	97.3	Very high	97.5	Very high	78 Å²	78	23.6 Å²	23.6	34%	0.339	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.3	178.7	-172.2	173.8	-178.8	176.3	0	110.2	L161 W269 D327 R333	L161-K325 HydrophobicContact CD2-CB 3.61Å; L161-K325 HydrophobicContact CD2-CD 3.64Å; L161-K325 HydrophobicContact CD2-CG 4.28Å; W269-K325 HydrophobicContact CB-CB 3.84Å; W269-K325 HydrophobicContact CB-CD 4.21Å; W269-K325 HydrophobicContact CB-CG 3.91Å; K325-D327 PolarHBondContact O-N 2.88Å; K325-R333 PolarHBondContact N-O 2.79Å; K325-R333 PolarHBondContact O-N 3.03Å
326	F	97.1	Very high	97.5	Very high	10 Å²	10	23 Å²	23	4%	0.044	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.3	170.8	-72.3	-81	0	0	0	110.1	G330 K331 L332 M508 T515 L517	F326-G330 VanDerWaalsContact CD1-O 3.25Å; F326-G330 WeakPolarHBondContact CD1-O 3.39Å; F326-K331 WeakPolarHBondContact CA-O 3.43Å; F326-L332 HydrophobicContact CD1-CB 4.07Å; F326-L332 HydrophobicContact CD1-CD1 4.36Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE1-CB 3.76Å; F326-L332 HydrophobicContact CE1-CD1 4.28Å; F326-L332 HydrophobicContact CE2-CD1 3.81Å; F326-L332 HydrophobicContact CG-CD1 4.2Å; F326-L332 HydrophobicContact CZ-CB 4.12Å; F326-L332 HydrophobicContact CZ-CD1 4Å; F326-L332 HydrophobicContact CZ-CG 4.48Å; F326-M508 HydrophobicContact CD2-SD 4.12Å; F326-M508 HydrophobicContact CE2-CB 4Å; F326-M508 HydrophobicContact CE2-CG 4.25Å; F326-M508 HydrophobicContact CE2-SD 3.86Å; F326-T515 HydrophobicContact CD1-CG2 4.22Å; F326-T515 HydrophobicContact CE1-CG2 3.71Å; F326-T515 HydrophobicContact CZ-CG2 3.92Å; F326-L517 HydrophobicContact CE1-CD2 4.39Å; F326-L517 HydrophobicContact CZ-CD2 3.8Å
327	D	95	Very high	97.5	Very high	38 Å²	38	23 Å²	23	20%	0.203	12%	0.116	C	C	.	.			trans	-75.3	179.2	172.7	68.7	21.4	0	0	0	111.9	K325 Q329 G330 K331 R333	K325-D327 PolarHBondContact O-N 2.88Å; D327-Q329 PolarHBondContact O-N 3.22Å; D327-Q329 WeakPolarHBondContact OD1-CA 3.49Å; D327-Q329 WeakPolarHBondContact OD1-CB 3.2Å; D327-Q329 PolarHBondContact OD1-N 3.49Å; D327-G330 PolarHBondContact O-N 3.11Å; D327-G330 PolarHBondContact OD1-N 2.99Å; D327-K331 PolarHBondContact N-O 3.09Å; D327-K331 PolarHBondContact OD1-N 3.02Å; D327-R333 HydrophobicContact CB-CG 3.91Å; D327-R333 IonicContact OD2-CZ 3.65Å; D327-R333 IonicContact OD2-NE 2.71Å; D327-R333 PolarHBondContact OD2-NE 3.09Å; D327-R333 IonicContact OD2-NH2 3.42Å; D327-R333 PolarHBondContact OD2-NH2 3.23Å
328	S	93.6	Very high	97.5	Very high	102 Å²	102	23 Å²	23	71%	0.713	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.4	179.7	57.4	0	0	0	0	113.8	G330	S328-G330 VanDerWaalsContact C-N 3.31Å
329	Q	94.2	Very high	97.5	Very high	136 Å²	136	24.5 Å²	24.5	64%	0.636	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.6	174.6	-56.9	-55.5	-53.1	0	0	112.2	D327	D327-Q329 PolarHBondContact O-N 3.22Å; D327-Q329 WeakPolarHBondContact OD1-CA 3.49Å; D327-Q329 WeakPolarHBondContact OD1-CB 3.2Å; D327-Q329 PolarHBondContact OD1-N 3.49Å
330	G	95.4	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	81.3	11.4	-179.8	0	0	0	0	0	114.7	F326 D327 S328 P514 Q516	F326-G330 VanDerWaalsContact CD1-O 3.25Å; F326-G330 WeakPolarHBondContact CD1-O 3.39Å; D327-G330 PolarHBondContact O-N 3.11Å; D327-G330 PolarHBondContact OD1-N 2.99Å; S328-G330 VanDerWaalsContact C-N 3.31Å; G330-P514 WeakPolarHBondContact CA-O 3.28Å; G330-Q516 PolarHBondContact O-N 3.02Å
331	K	96.7	Very high	97.5	Very high	31 Å²	31	23.5 Å²	23.5	14%	0.135	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-86.1	133.4	175.6	-169.9	60.1	170.1	176.1	0	109.8	F326 D327 R333 P435 I436 D437 Q516	F326-K331 WeakPolarHBondContact CA-O 3.43Å; D327-K331 PolarHBondContact N-O 3.09Å; D327-K331 PolarHBondContact OD1-N 3.02Å; K331-R333 PolarHBondContact O-N 3.32Å; K331-P435 HydrophobicContact CD-CB 4.2Å; K331-P435 HydrophobicContact CG-CB 3.56Å; K331-I436 WeakPolarHBondContact CE-O 3.4Å; K331-I436 PolarHBondContact NZ-O 3.28Å; K331-D437 WeakPolarHBondContact CE-OD1 3.44Å; K331-D437 IonicContact NZ-OD1 3.97Å; K331-D437 PolarHBondContact NZ-OD1 2.79Å; K331-Q516 HydrophobicContact CD-CB 4.48Å
332	L	98.1	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	111.3	172.5	-172.3	64.8	0	0	0	109.2	M324 F326 I436 I439 P518	M324-L332 HydrophobicContact CB-CD1 3.75Å; M324-L332 HydrophobicContact CB-CD2 4.28Å; M324-L332 HydrophobicContact CB-CG 4.01Å; M324-L332 HydrophobicContact SD-CD2 3.98Å; F326-L332 HydrophobicContact CD1-CB 4.07Å; F326-L332 HydrophobicContact CD1-CD1 4.36Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE1-CB 3.76Å; F326-L332 HydrophobicContact CE1-CD1 4.28Å; F326-L332 HydrophobicContact CE2-CD1 3.81Å; F326-L332 HydrophobicContact CG-CD1 4.2Å; F326-L332 HydrophobicContact CZ-CB 4.12Å; F326-L332 HydrophobicContact CZ-CD1 4Å; F326-L332 HydrophobicContact CZ-CG 4.48Å; L332-I436 HydrophobicContact CB-CB 4.47Å; L332-I436 HydrophobicContact CD2-CB 4.35Å; L332-I436 HydrophobicContact CG-CB 4.5Å; L332-I436 PolarHBondContact O-N 3.23Å; L332-I439 HydrophobicContact CD2-CD1 4.28Å; L332-P518 HydrophobicContact CD2-CG 3.9Å
333	R	98	Very high	97.3	Very high	59 Å²	59	24 Å²	24	22%	0.223	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.6	174.9	-63.7	-67.4	179.4	151.1	3.2	110.3	M324 K325 D327 K331 E432 G433 V434	M324-R333 CarbonylContact C-O 3.56Å; M324-R333 WeakPolarHBondContact CA-O 3.33Å; K325-R333 PolarHBondContact N-O 2.79Å; K325-R333 PolarHBondContact O-N 3.03Å; D327-R333 HydrophobicContact CB-CG 3.91Å; D327-R333 IonicContact OD2-CZ 3.65Å; D327-R333 IonicContact OD2-NE 2.71Å; D327-R333 PolarHBondContact OD2-NE 3.09Å; D327-R333 IonicContact OD2-NH2 3.42Å; D327-R333 PolarHBondContact OD2-NH2 3.23Å; K331-R333 PolarHBondContact O-N 3.32Å; R333-E432 WeakPolarHBondContact CB-O 3.48Å; R333-G433 PolarHBondContact NH1-O 3.02Å; R333-V434 CarbonylContact C-O 3.49Å; R333-V434 WeakPolarHBondContact CA-O 3.37Å
334	A	98.5	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.6	177.9	0	0	0	0	0	112.2	I276 W323 M324 G433 V434 I436	I276-A334 HydrophobicContact CD1-CB 3.71Å; I276-A334 HydrophobicContact CG1-CB 4.34Å; W323-A334 CarbonylContact O-C 3.49Å; W323-A334 VanDerWaalsContact O-CA 3.3Å; W323-A334 WeakPolarHBondContact O-CA 3.43Å; M324-A334 HydrophobicContact CB-CB 4.48Å; M324-A334 HydrophobicContact CG-CB 3.72Å; M324-A334 HydrophobicContact SD-CB 4.46Å; A334-G433 CarbonylContact O-C 3.17Å; A334-G433 WeakPolarHBondContact O-CA 3.23Å; A334-V434 HydrophobicContact CB-CG2 4.47Å; A334-V434 PolarHBondContact N-O 3.45Å; A334-V434 PolarHBondContact O-N 2.83Å; A334-I436 HydrophobicContact CB-CD1 3.66Å; A334-I436 HydrophobicContact CB-CG1 3.63Å
335	I	98.5	Very high	96.9	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.8	164.2	62.7	160.4	0	0	0	110.1	L161 I276 W323 P337	L161-I335 HydrophobicContact CB-CD1 3.56Å; L161-I335 HydrophobicContact CB-CG1 3.98Å; L161-I335 HydrophobicContact CD1-CG1 4.06Å; L161-I335 HydrophobicContact CD1-CG2 3.96Å; I276-I335 WeakPolarHBondContact CD1-O 3.3Å; W323-I335 HydrophobicContact CB-CG1 3.96Å; W323-I335 HydrophobicContact CE3-CD1 4.15Å; W323-I335 PolarHBondContact N-O 2.9Å; W323-I335 PolarHBondContact O-N 2.9Å; I335-P337 WeakPolarHBondContact O-CD 3.36Å
336	N	98.4	Very high	96.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.124	C	C	.	.			trans	-85.2	113.4	160.5	173.6	16.9	0	0	0	108.3	V317 G318 E338	V317-N336 HydrophobicContact CG1-CB 4.1Å; V317-N336 VanDerWaalsContact O-CB 3.29Å; V317-N336 WeakPolarHBondContact O-CB 3.33Å; V317-N336 PolarHBondContact O-ND2 2.68Å; G318-N336 VanDerWaalsContact CA-ND2 3.27Å; G318-N336 WeakPolarHBondContact CA-ND2 3.21Å; N336-E338 PolarHBondContact ND2-O 3.04Å; N336-E338 PolarHBondContact O-N 3.45Å; N336-E338 WeakPolarHBondContact OD1-CB 3.31Å; N336-E338 PolarHBondContact OD1-N 2.79Å
337	P	98.3	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.			trans	-71.4	-18.4	178.5	28.5	-33.1	0	0	0	113.2	M154 G155 R183 A256 I321 W323 I335	M154-P337 CarbonylContact C-O 3.59Å; M154-P337 WeakPolarHBondContact CA-O 3.4Å; M154-P337 HydrophobicContact CB-CB 4.05Å; M154-P337 HydrophobicContact CE-CB 3.95Å; M154-P337 HydrophobicContact CE-CG 4.5Å; G155-P337 PolarHBondContact N-O 3.21Å; R183-P337 PolarHBondContact NH1-O 3.33Å; A256-P337 HydrophobicContact CB-CG 4.27Å; I321-P337 HydrophobicContact CB-CG 3.96Å; I321-P337 HydrophobicContact CG2-CG 3.5Å; I321-P337 WeakPolarHBondContact O-CD 3.32Å; W323-P337 HydrophobicContact CD2-CB 3.83Å; W323-P337 HydrophobicContact CD2-CG 4.01Å; W323-P337 HydrophobicContact CE3-CB 3.99Å; W323-P337 HydrophobicContact CG-CB 4.36Å; W323-P337 HydrophobicContact CG-CG 4.09Å; W323-P337 HydrophobicContact CH2-CB 4.28Å; W323-P337 HydrophobicContact CZ2-CB 4.12Å; W323-P337 HydrophobicContact CZ3-CB 4.19Å; I335-P337 WeakPolarHBondContact O-CD 3.36Å
338	E	98.6	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.133	C	C	.	.			trans	-84	160	-178.4	-53.9	-166.3	90.6	0	0	112.3	M154 M181 R183 K252 I321 N336	M154-E338 HydrophobicContact CE-CG 4.36Å; M181-E338 HydrophobicContact CE-CB 4.41Å; M181-E338 WeakPolarHBondContact CE-OE1 3.31Å; R183-E338 PolarHBondContact NH1-O 3.26Å; R183-E338 PolarHBondContact NH2-O 2.9Å; K252-E338 WeakPolarHBondContact CG-OE1 3.48Å; K252-E338 IonicContact NZ-OE1 3.55Å; K252-E338 PolarHBondContact NZ-OE1 3.35Å; K252-E338 IonicContact NZ-OE2 2.83Å; K252-E338 PolarHBondContact NZ-OE2 3.23Å; I321-E338 HydrophobicContact CD1-CG 4.11Å; N336-E338 PolarHBondContact ND2-O 3.04Å; N336-E338 PolarHBondContact O-N 3.45Å; N336-E338 WeakPolarHBondContact OD1-CB 3.31Å; N336-E338 PolarHBondContact OD1-N 2.79Å
339	N	98.5	Very high	96.7	Very high	32 Å²	32	19 Å²	19	17%	0.171	10%	0.104	C	C	.	.	S	Bend	trans	-112.1	-1.6	178.1	-165.5	47.3	0	0	0	113.1	I180 M181 T182 R183 A418 W428	I180-N339 CarbonylContact O-C 3.57Å; I180-N339 WeakPolarHBondContact O-CB 3.47Å; M181-N339 PolarHBondContact O-N 2.91Å; T182-N339 PolarHBondContact O-ND2 3.01Å; R183-N339 HydrophobicContact CG-CB 4.4Å; R183-N339 PolarHBondContact NH2-OD1 3.06Å; N339-A418 VanDerWaalsContact O-CB 3.31Å; N339-A418 WeakPolarHBondContact O-CB 2.97Å; N339-A418 PolarHBondContact O-N 3.21Å; N339-W428 WeakPolarHBondContact OD1-CH2 3.31Å
340	G	98.4	Very high	96.7	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	174.6	-175.2	0	0	0	0	0	112.3	I180 M181 A416	I180-G340 PolarHBondContact O-N 2.85Å; M181-G340 WeakPolarHBondContact CE-O 3.47Å; M181-G340 VanDerWaalsContact SD-C 3.56Å; G340-A416 CarbonylContact C-O 3.56Å; G340-A416 WeakPolarHBondContact CA-O 3.37Å
341	F	98.6	Very high	96.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.1	175.5	-53.6	-61.5	0	0	0	110	M304 D319 T359 F414 C415 A416 A418 C421 I424	M304-F341 HydrophobicContact CE-CD2 4.29Å; M304-F341 HydrophobicContact CE-CE2 3.96Å; M304-F341 HydrophobicContact CE-CZ 4.39Å; M304-F341 HydrophobicContact SD-CE2 4.46Å; D319-F341 HydrophobicContact CB-CD1 3.98Å; D319-F341 HydrophobicContact CB-CE1 4.14Å; D319-F341 WeakPolarHBondContact OD1-CD1 3.46Å; F341-T359 HydrophobicContact CD2-CG2 4.01Å; F341-T359 HydrophobicContact CE2-CG2 4.2Å; F341-F414 HydrophobicContact CB-CE2 4.14Å; F341-C415 VanDerWaalsContact O-CA 3.31Å; F341-C415 WeakPolarHBondContact O-CA 3.26Å; F341-A416 PolarHBondContact N-O 3.32Å; F341-A416 PolarHBondContact O-N 3.29Å; F341-A418 HydrophobicContact CE1-CB 4.42Å; F341-A418 VanDerWaalsContact CE2-CA 3.5Å; F341-A418 HydrophobicContact CE2-CB 3.96Å; F341-A418 HydrophobicContact CZ-CB 3.89Å; F341-C421 HydrophobicContact CE2-CB 3.84Å; F341-C421 HydrophobicContact CZ-CB 4.25Å; F341-I424 HydrophobicContact CZ-CD1 4.35Å
342	F	97.2	Very high	96.3	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.044	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	60.4	172.1	-165.1	-109.8	0	0	0	110.1	M181 L249 K252 R413 F414 C415	M181-F342 HydrophobicContact CE-CB 3.84Å; M181-F342 HydrophobicContact SD-CB 3.92Å; L249-F342 HydrophobicContact CD1-CD2 4.3Å; L249-F342 HydrophobicContact CD1-CE2 4.27Å; K252-F342 HydrophobicContact CD-CB 4.21Å; K252-F342 HydrophobicContact CD-CD1 4.4Å; F342-R413 HydrophobicContact CD1-CG 4.16Å; F342-R413 HydrophobicContact CD2-CB 4.4Å; F342-R413 HydrophobicContact CE1-CB 4.13Å; F342-R413 HydrophobicContact CE1-CG 3.56Å; F342-R413 HydrophobicContact CE2-CB 3.91Å; F342-R413 HydrophobicContact CE2-CG 4.25Å; F342-R413 HydrophobicContact CZ-CB 3.76Å; F342-R413 HydrophobicContact CZ-CG 3.61Å; F342-R413 PolarHBondContact O-NH1 3.16Å; F342-F414 CarbonylContact C-O 3.56Å; F342-F414 VanDerWaalsContact CA-O 3.31Å; F342-F414 WeakPolarHBondContact CA-O 3.35Å; F342-C415 HydrophobicContact CD2-CB 3.86Å; F342-C415 HydrophobicContact CE2-CB 4.2Å
343	G	95.1	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	154	-167.7	0	0	0	0	0	113.5	R413 F414	G343-R413 VanDerWaalsContact O-CA 3.23Å; G343-R413 WeakPolarHBondContact O-CA 3.32Å; G343-R413 WeakPolarHBondContact O-CD 3.2Å; G343-F414 PolarHBondContact N-O 3.31Å; G343-F414 VanDerWaalsContact N-O 3.09Å; G343-F414 PolarHBondContact O-N 3.49Å; G343-F414 VanDerWaalsContact O-N 3.09Å
344	V	94.3	Very high	96.1	Very high	32 Å²	32	25.5 Å²	25.5	19%	0.194	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.5	170.8	176.9	0	0	0	0	108.3	T348 R413	V344-T348 PolarHBondContact O-OG1 3.03Å; V344-R413 VanDerWaalsContact CG2-CZ 3.41Å
345	A	95.8	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.			trans	-74.3	-52.3	179.8	0	0	0	0	0	112.7	G347 T348 V369 W379 S412 F414	A345-G347 PolarHBondContact O-N 3.32Å; A345-T348 WeakPolarHBondContact O-CB 3.1Å; A345-T348 PolarHBondContact O-N 3.3Å; A345-T348 PolarHBondContact O-OG1 2.91Å; A345-V369 HydrophobicContact CB-CG1 3.74Å; A345-W379 HydrophobicContact CB-CD2 3.94Å; A345-W379 HydrophobicContact CB-CE3 3.87Å; A345-W379 HydrophobicContact CB-CG 4.44Å; A345-W379 HydrophobicContact CB-CZ3 4.2Å; A345-W379 PolarHBondContact O-NE1 2.72Å; A345-S412 PolarHBondContact N-O 3.41Å; A345-F414 HydrophobicContact CB-CD1 4.22Å
346	P	94.9	Very high	96.1	Very high	30 Å²	30	28.3 Å²	28.3	20%	0.195	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	133.6	-176.9	-27.5	37	0	0	0	113.1	T348 W379 A408 H409 S412	P346-T348 VanDerWaalsContact C-N 3.32Å; P346-W379 HydrophobicContact CG-CB 4.42Å; P346-A408 HydrophobicContact CG-CB 4.43Å; P346-H409 WeakPolarHBondContact CG-O 3.49Å; P346-S412 WeakPolarHBondContact CD-OG 3.47Å; P346-S412 WeakPolarHBondContact CG-OG 3.32Å
347	G	92.1	Very high	96.1	Very high	38 Å²	38	30.1 Å²	30.1	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-11.5	-174.2	0	0	0	0	0	115.6	A345 T352 E380	A345-G347 PolarHBondContact O-N 3.32Å; G347-T352 PolarHBondContact O-OG1 2.8Å; G347-E380 PolarHBondContact N-O 3.29Å
348	T	95.1	Very high	96.1	Very high	8 Å²	8	32 Å²	32	5%	0.049	18%	0.179	C	C	.	.			trans	-76.7	126.6	172.8	-59.1	0	0	0	0	110	V344 A345 P346 N353 A356 M357 W379 L382	V344-T348 PolarHBondContact O-OG1 3.03Å; A345-T348 WeakPolarHBondContact O-CB 3.1Å; A345-T348 PolarHBondContact O-N 3.3Å; A345-T348 PolarHBondContact O-OG1 2.91Å; P346-T348 VanDerWaalsContact C-N 3.32Å; T348-N353 HydrophobicContact CG2-CB 4.37Å; T348-A356 HydrophobicContact CG2-CB 3.84Å; T348-M357 HydrophobicContact CG2-CG 4.44Å; T348-M357 HydrophobicContact CG2-SD 3.9Å; T348-W379 PolarHBondContact O-NE1 3.38Å; T348-L382 WeakPolarHBondContact O-CD2 3.45Å
349	S	95.7	Very high	96.1	Very high	15 Å²	15	32 Å²	32	11%	0.105	18%	0.179	C	C	.	.	S	Bend	trans	-156.4	173.2	177.8	69.3	0	0	0	0	110.6	K351 T352 N353 M357	S349-K351 PolarHBondContact O-N 3.4Å; S349-K351 VanDerWaalsContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.78Å; S349-T352 PolarHBondContact N-OG1 2.89Å; S349-T352 PolarHBondContact O-N 3.14Å; S349-T352 VanDerWaalsContact O-N 3.1Å; S349-T352 PolarHBondContact O-OG1 2.73Å; S349-T352 PolarHBondContact OG-N 3.25Å; S349-T352 PolarHBondContact OG-OG1 3.33Å; S349-N353 CarbonylContact O-C 3.57Å; S349-N353 VanDerWaalsContact O-C 3.24Å; S349-N353 PolarHBondContact O-N 3.2Å; S349-M357 VanDerWaalsContact C-CG 3.5Å
350	D	94.4	Very high	96.1	Very high	115 Å²	115	30.8 Å²	30.8	62%	0.615	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	175.3	-68.2	-44.2	0	0	0	113.1	P354 M357	D350-P354 WeakPolarHBondContact O-CD 3.38Å; D350-M357 WeakPolarHBondContact OD1-CB 3.22Å; D350-M357 WeakPolarHBondContact OD1-CG 3.24Å
351	K	92.1	Very high	96.1	Very high	189 Å²	189	33 Å²	33	82%	0.822	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-41.2	174	-175.9	178.8	178.4	179.4	0	112.3	S349	S349-K351 PolarHBondContact O-N 3.4Å; S349-K351 VanDerWaalsContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.78Å
352	T	91.8	Very high	96.1	Very high	23 Å²	23	37.7 Å²	37.7	14%	0.141	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-32.6	-171.2	60.7	0	0	0	0	113.6	N301 G347 S349 F540	N301-T352 PolarHBondContact ND2-O 2.78Å; N301-T352 VanDerWaalsContact ND2-O 3.11Å; G347-T352 PolarHBondContact O-OG1 2.8Å; S349-T352 PolarHBondContact N-OG1 2.89Å; S349-T352 PolarHBondContact O-N 3.14Å; S349-T352 VanDerWaalsContact O-N 3.1Å; S349-T352 PolarHBondContact O-OG1 2.73Å; S349-T352 PolarHBondContact OG-N 3.25Å; S349-T352 PolarHBondContact OG-OG1 3.33Å; T352-F540 VanDerWaalsContact CB-CE1 3.42Å; T352-F540 HydrophobicContact CG2-CD1 4.03Å; T352-F540 HydrophobicContact CG2-CE1 3.48Å; T352-F540 VanDerWaalsContact CG2-CE1 3.48Å; T352-F540 HydrophobicContact CG2-CE2 4.13Å; T352-F540 HydrophobicContact CG2-CZ 3.53Å; T352-F540 WeakPolarHBondContact O-CD1 3.31Å
353	N	95.8	Very high	96.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.216	C	C	.	.			trans	-160.2	77.4	178.8	-165.5	-18.6	0	0	0	111.3	T300 M304 T348 S349 Y355 A356 M357	T300-N353 PolarHBondContact O-ND2 3.29Å; M304-N353 PolarHBondContact O-OD1 2.91Å; T348-N353 HydrophobicContact CG2-CB 4.37Å; S349-N353 CarbonylContact O-C 3.57Å; S349-N353 VanDerWaalsContact O-C 3.24Å; S349-N353 PolarHBondContact O-N 3.2Å; N353-Y355 PolarHBondContact O-N 2.78Å; N353-A356 HydrophobicContact CB-CB 3.96Å; N353-A356 WeakPolarHBondContact ND2-CB 3.42Å; N353-A356 PolarHBondContact O-N 3.18Å; N353-A356 WeakPolarHBondContact OD1-CB 3.29Å; N353-A356 PolarHBondContact OD1-N 2.69Å; N353-M357 PolarHBondContact O-N 2.97Å
354	P	97	Very high	96.3	Very high	35 Å²	35	39.6 Å²	39.6	23%	0.227	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-28.3	-180	24.8	-33.7	0	0	0	113	K306 D350 M357 A358	K306-P354 HydrophobicContact CB-CG 4.24Å; K306-P354 HydrophobicContact CD-CG 4.18Å; D350-P354 WeakPolarHBondContact O-CD 3.38Å; P354-M357 PolarHBondContact O-N 2.92Å; P354-A358 PolarHBondContact O-N 3.09Å
355	Y	98.3	Very high	96.5	Very high	62 Å²	62	38.4 Å²	38.4	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-72.3	-35.2	177.1	-63.5	-52.3	0	0	0	112.1	M304 K306 N353 A358 T359 P422 I423	M304-Y355 WeakPolarHBondContact O-CD2 3.38Å; K306-Y355 HydrophobicContact CB-CD2 4.27Å; K306-Y355 HydrophobicContact CB-CE2 3.65Å; K306-Y355 HydrophobicContact CG-CE2 4.15Å; N353-Y355 PolarHBondContact O-N 2.78Å; Y355-A358 PolarHBondContact O-N 3.46Å; Y355-T359 WeakPolarHBondContact O-CB 3.25Å; Y355-T359 PolarHBondContact O-N 3.19Å; Y355-T359 PolarHBondContact O-OG1 2.84Å; Y355-P422 HydrophobicContact CD1-CB 4Å; Y355-P422 HydrophobicContact CD1-CG 4.15Å; Y355-P422 HydrophobicContact CE1-CB 4.39Å; Y355-I423 HydrophobicContact CD1-CG2 3.98Å; Y355-I423 HydrophobicContact CD2-CD1 3.42Å; Y355-I423 VanDerWaalsContact CD2-CD1 3.42Å; Y355-I423 HydrophobicContact CD2-CG1 3.84Å; Y355-I423 HydrophobicContact CD2-CG2 4.03Å; Y355-I423 HydrophobicContact CE1-CG2 3.66Å; Y355-I423 HydrophobicContact CE2-CD1 3.78Å; Y355-I423 HydrophobicContact CE2-CG1 4.28Å; Y355-I423 HydrophobicContact CE2-CG2 3.7Å; Y355-I423 HydrophobicContact CG-CD1 4.06Å; Y355-I423 HydrophobicContact CG-CG1 3.98Å; Y355-I423 HydrophobicContact CG-CG2 4.16Å
356	A	97.8	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-44.8	169.2	0	0	0	0	0	111.2	M304 T348 N353 A358 T359 I360 F414	M304-A356 HydrophobicContact CE-CB 4.35Å; M304-A356 HydrophobicContact SD-CB 4.33Å; T348-A356 HydrophobicContact CG2-CB 3.84Å; N353-A356 HydrophobicContact CB-CB 3.96Å; N353-A356 WeakPolarHBondContact ND2-CB 3.42Å; N353-A356 PolarHBondContact O-N 3.18Å; N353-A356 WeakPolarHBondContact OD1-CB 3.29Å; N353-A356 PolarHBondContact OD1-N 2.69Å; A356-A358 VanDerWaalsContact C-N 3.31Å; A356-A358 PolarHBondContact O-N 3.14Å; A356-T359 WeakPolarHBondContact O-CB 3.4Å; A356-T359 PolarHBondContact O-N 3.41Å; A356-I360 WeakPolarHBondContact O-CG1 3.18Å; A356-I360 WeakPolarHBondContact O-CG2 3.29Å; A356-I360 PolarHBondContact O-N 2.74Å; A356-F414 HydrophobicContact CB-CZ 4.41Å
357	M	98.1	Very high	96.8	Very high	39 Å²	39	37 Å²	37	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-42.7	175.9	-65.6	-57.5	-64.9	0	0	112.5	T348 S349 D350 N353 P354 I360 W379 L382	T348-M357 HydrophobicContact CG2-CG 4.44Å; T348-M357 HydrophobicContact CG2-SD 3.9Å; S349-M357 VanDerWaalsContact C-CG 3.5Å; D350-M357 WeakPolarHBondContact OD1-CB 3.22Å; D350-M357 WeakPolarHBondContact OD1-CG 3.24Å; N353-M357 PolarHBondContact O-N 2.97Å; P354-M357 PolarHBondContact O-N 2.92Å; M357-I360 WeakPolarHBondContact O-CG1 3.46Å; M357-I360 HydrophobicContact SD-CD1 4.02Å; M357-W379 HydrophobicContact CE-CZ2 4.42Å; M357-W379 HydrophobicContact SD-CH2 4.42Å; M357-W379 HydrophobicContact SD-CZ2 3.93Å; M357-L382 HydrophobicContact CE-CD2 4.01Å; M357-L382 HydrophobicContact SD-CD2 4.39Å
358	A	98.3	Very high	97.2	Very high	40 Å²	40	35.2 Å²	35.2	33%	0.331	18%	0.181	S	C	.	.	H	α-helix	trans	-65.1	-41.5	174	0	0	0	0	0	112.3	P354 Y355 A356 I360 S361 P422	P354-A358 PolarHBondContact O-N 3.09Å; Y355-A358 PolarHBondContact O-N 3.46Å; A356-A358 VanDerWaalsContact C-N 3.31Å; A356-A358 PolarHBondContact O-N 3.14Å; A358-I360 PolarHBondContact O-N 2.83Å; A358-S361 PolarHBondContact O-N 2.85Å; A358-S361 PolarHBondContact O-OG 2.83Å; A358-P422 HydrophobicContact CB-CG 3.73Å
359	T	98.7	Very high	97.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-40.5	-177.7	-55.7	0	0	0	0	112.1	M304 F341 Y355 A356 S361 A416 Q420 C421	M304-T359 HydrophobicContact CE-CG2 4.48Å; M304-T359 WeakPolarHBondContact CE-OG1 3.33Å; F341-T359 HydrophobicContact CD2-CG2 4.01Å; F341-T359 HydrophobicContact CE2-CG2 4.2Å; Y355-T359 WeakPolarHBondContact O-CB 3.25Å; Y355-T359 PolarHBondContact O-N 3.19Å; Y355-T359 PolarHBondContact O-OG1 2.84Å; A356-T359 WeakPolarHBondContact O-CB 3.4Å; A356-T359 PolarHBondContact O-N 3.41Å; T359-S361 VanDerWaalsContact C-N 3.3Å; T359-S361 PolarHBondContact O-N 3.06Å; T359-A416 HydrophobicContact CG2-CB 4.12Å; T359-Q420 HydrophobicContact CG2-CB 4.16Å; T359-Q420 PolarHBondContact O-NE2 2.8Å; T359-C421 HydrophobicContact CG2-CB 4.44Å; T359-C421 WeakPolarHBondContact OG1-CA 3.41Å
360	I	98.5	Very high	97.5	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.5	-173.9	68.8	-173.1	0	0	0	113.9	A356 M357 A358 R362 T364 F366 W379 F414 A416	A356-I360 WeakPolarHBondContact O-CG1 3.18Å; A356-I360 WeakPolarHBondContact O-CG2 3.29Å; A356-I360 PolarHBondContact O-N 2.74Å; M357-I360 WeakPolarHBondContact O-CG1 3.46Å; M357-I360 HydrophobicContact SD-CD1 4.02Å; A358-I360 PolarHBondContact O-N 2.83Å; I360-R362 PolarHBondContact O-N 2.88Å; I360-T364 WeakPolarHBondContact CA-OG1 3.27Å; I360-T364 HydrophobicContact CB-CG2 4.14Å; I360-T364 HydrophobicContact CG2-CG2 4.43Å; I360-T364 PolarHBondContact O-OG1 2.8Å; I360-F366 HydrophobicContact CB-CE1 4.29Å; I360-F366 HydrophobicContact CB-CZ 3.93Å; I360-F366 HydrophobicContact CD1-CE1 4.14Å; I360-F366 HydrophobicContact CD1-CZ 4.31Å; I360-F366 HydrophobicContact CG1-CE1 4.45Å; I360-F366 HydrophobicContact CG1-CZ 4.15Å; I360-W379 HydrophobicContact CD1-CH2 3.72Å; I360-W379 HydrophobicContact CD1-CZ2 4.33Å; I360-F414 HydrophobicContact CG2-CB 3.9Å; I360-F414 HydrophobicContact CG2-CD1 4.03Å; I360-F414 HydrophobicContact CG2-CD2 3.42Å; I360-F414 VanDerWaalsContact CG2-CD2 3.42Å; I360-F414 HydrophobicContact CG2-CE1 4.39Å; I360-F414 HydrophobicContact CG2-CE2 3.83Å; I360-F414 HydrophobicContact CG2-CG 3.52Å; I360-F414 HydrophobicContact CG2-CZ 4.29Å; I360-A416 HydrophobicContact CG2-CB 4.18Å
361	S	98.1	Very high	97.6	Very high	47 Å²	47	29.4 Å²	29.4	33%	0.329	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.2	-176.6	66.6	0	0	0	0	114.2	Y79 E80 A358 T359	Y79-S361 WeakPolarHBondContact CB-O 3.39Å; E80-S361 PolarHBondContact N-O 3.18Å; A358-S361 PolarHBondContact O-N 2.85Å; A358-S361 PolarHBondContact O-OG 2.83Å; T359-S361 VanDerWaalsContact C-N 3.3Å; T359-S361 PolarHBondContact O-N 3.06Å
362	R	98.4	Very high	97.9	Very high	99 Å²	99	20.7 Å²	20.7	37%	0.374	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-146.7	156.3	178.2	63.5	179.7	179.7	-102.7	-1.7	113	E80 I360 T364 Q420	E80-R362 HydrophobicContact CB-CB 3.8Å; E80-R362 HydrophobicContact CG-CB 4.35Å; E80-R362 CarbonylContact O-C 3.42Å; E80-R362 WeakPolarHBondContact O-CA 3.46Å; E80-R362 WeakPolarHBondContact O-CB 3.46Å; I360-R362 PolarHBondContact O-N 2.88Å; R362-T364 PolarHBondContact O-N 2.98Å; R362-T364 VanDerWaalsContact O-N 3.09Å; R362-T364 PolarHBondContact O-OG1 2.83Å; R362-Q420 PolarHBondContact O-NE2 3.4Å
363	N	98.5	Very high	98.2	Very high	51 Å²	51	23.1 Å²	23.1	27%	0.273	13%	0.128	S	C	.	.	S	Bend	trans	46.9	39.4	176.5	-51.8	-56.8	0	0	0	113.8	E80 N81 P417 Q420	E80-N363 PolarHBondContact O-N 2.87Å; N81-N363 WeakPolarHBondContact CB-OD1 3.48Å; N81-N363 PolarHBondContact ND2-OD1 2.92Å; N81-N363 VanDerWaalsContact O-CA 3.28Å; N81-N363 WeakPolarHBondContact O-CA 3.32Å; N81-N363 PolarHBondContact O-N 3.39Å; N363-P417 HydrophobicContact CB-CG 4.43Å; N363-P417 VanDerWaalsContact O-CD 3.29Å; N363-P417 WeakPolarHBondContact O-CD 3.29Å; N363-Q420 VanDerWaalsContact CB-OE1 3.28Å; N363-Q420 PolarHBondContact ND2-OE1 3.16Å
364	T	98.8	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.			trans	-119.4	134.7	-170.9	-65.8	0	0	0	0	111.4	C82 W83 I360 R362 F366 F414 C415 A416	C82-T364 CarbonylContact C-O 3.5Å; C82-T364 WeakPolarHBondContact CA-O 3.47Å; C82-T364 WeakPolarHBondContact CB-O 3.31Å; W83-T364 PolarHBondContact N-O 3.09Å; I360-T364 WeakPolarHBondContact CA-OG1 3.27Å; I360-T364 HydrophobicContact CB-CG2 4.14Å; I360-T364 HydrophobicContact CG2-CG2 4.43Å; I360-T364 PolarHBondContact O-OG1 2.8Å; R362-T364 PolarHBondContact O-N 2.98Å; R362-T364 VanDerWaalsContact O-N 3.09Å; R362-T364 PolarHBondContact O-OG1 2.83Å; T364-F366 HydrophobicContact CG2-CD1 4.48Å; T364-F366 HydrophobicContact CG2-CD2 3.96Å; T364-F366 HydrophobicContact CG2-CE1 4.16Å; T364-F366 HydrophobicContact CG2-CE2 3.6Å; T364-F366 HydrophobicContact CG2-CG 4.4Å; T364-F366 HydrophobicContact CG2-CZ 3.71Å; T364-F414 HydrophobicContact CG2-CB 3.97Å; T364-C415 WeakPolarHBondContact CA-O 3.26Å; T364-A416 HydrophobicContact CG2-CB 4.11Å; T364-A416 WeakPolarHBondContact OG1-CB 3.29Å
365	V	98.7	Very high	98.3	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115.1	170.4	-177.4	0	0	0	0	108.9	W83 Y173 I180 C415	W83-V365 HydrophobicContact CB-CG2 4.42Å; Y173-V365 HydrophobicContact CE2-CG1 3.9Å; I180-V365 HydrophobicContact CD1-CG2 4.12Å; V365-C415 HydrophobicContact CB-CB 4.33Å; V365-C415 PolarHBondContact N-O 3.28Å; V365-C415 WeakPolarHBondContact O-CB 3.34Å; V365-C415 PolarHBondContact O-N 3.17Å
366	F	98.9	Very high	98.3	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.6	171.8	-64.1	-88.7	0	0	0	110.6	L76 C82 W83 L84 A85 I360 T364 V369 V377 W379 R413 F414	L76-F366 HydrophobicContact CD1-CD2 3.63Å; L76-F366 HydrophobicContact CD1-CE2 4.14Å; L76-F366 HydrophobicContact CD1-CG 4.5Å; C82-F366 HydrophobicContact CB-CD2 4.49Å; C82-F366 HydrophobicContact CB-CE2 4.13Å; W83-F366 PolarHBondContact O-N 2.96Å; L84-F366 HydrophobicContact CD1-CB 4.09Å; A85-F366 PolarHBondContact N-O 3.11Å; I360-F366 HydrophobicContact CB-CE1 4.29Å; I360-F366 HydrophobicContact CB-CZ 3.93Å; I360-F366 HydrophobicContact CD1-CE1 4.14Å; I360-F366 HydrophobicContact CD1-CZ 4.31Å; I360-F366 HydrophobicContact CG1-CE1 4.45Å; I360-F366 HydrophobicContact CG1-CZ 4.15Å; T364-F366 HydrophobicContact CG2-CD1 4.48Å; T364-F366 HydrophobicContact CG2-CD2 3.96Å; T364-F366 HydrophobicContact CG2-CE1 4.16Å; T364-F366 HydrophobicContact CG2-CE2 3.6Å; T364-F366 HydrophobicContact CG2-CG 4.4Å; T364-F366 HydrophobicContact CG2-CZ 3.71Å; F366-V369 HydrophobicContact CB-CG2 3.71Å; F366-V369 HydrophobicContact CD1-CG1 4.36Å; F366-V369 HydrophobicContact CD1-CG2 4.31Å; F366-V369 HydrophobicContact CG-CG2 4.25Å; F366-V377 HydrophobicContact CD1-CG1 4.44Å; F366-V377 HydrophobicContact CD1-CG2 4.5Å; F366-V377 HydrophobicContact CD2-CG1 4.13Å; F366-V377 HydrophobicContact CE1-CG2 4.13Å; F366-V377 HydrophobicContact CE2-CG1 4.45Å; F366-V377 HydrophobicContact CG-CG1 4.12Å; F366-V377 HydrophobicContact CZ-CG2 4.17Å; F366-W379 HydrophobicContact CD1-CZ3 4.37Å; F366-W379 HydrophobicContact CE1-CH2 4.32Å; F366-W379 AromaticContact CE1-CZ3 4Å; F366-W379 HydrophobicContact CE1-CZ3 4Å; F366-R413 CarbonylContact C-O 3.48Å; F366-R413 WeakPolarHBondContact CA-O 3.43Å; F366-F414 HydrophobicContact CD1-CB 3.88Å; F366-F414 HydrophobicContact CE1-CB 3.82Å
367	T	98.8	Very high	98.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.8	179	-56.5	0	0	0	0	110.6	A85 T87 Y173 V369 S412 R413	A85-T367 HydrophobicContact CB-CG2 4.36Å; A85-T367 WeakPolarHBondContact O-CA 3.38Å; T87-T367 HydrophobicContact CG2-CG2 3.63Å; Y173-T367 PolarHBondContact OH-OG1 2.97Å; T367-V369 VanDerWaalsContact C-N 3.32Å; T367-V369 PolarHBondContact O-N 2.92Å; T367-S412 VanDerWaalsContact O-CA 3.28Å; T367-S412 WeakPolarHBondContact O-CA 3.28Å; T367-S412 WeakPolarHBondContact O-CB 3.21Å; T367-R413 PolarHBondContact N-O 2.84Å; T367-R413 PolarHBondContact O-N 2.99Å
368	N	98.6	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	62.3	26.9	179.5	-59.2	-21.6	0	0	0	115.8	A85 R86 T87 W394 H409 S412	A85-N368 PolarHBondContact O-N 3.35Å; R86-N368 WeakPolarHBondContact CA-OD1 3.46Å; T87-N368 PolarHBondContact N-OD1 3.11Å; T87-N368 PolarHBondContact OG1-ND2 3.12Å; T87-N368 PolarHBondContact OG1-OD1 2.92Å; N368-W394 HydrophobicContact CB-CB 4.16Å; N368-W394 HydrophobicContact CB-CD2 4.46Å; N368-W394 HydrophobicContact CB-CE3 4.08Å; N368-W394 WeakPolarHBondContact O-CB 3.47Å; N368-H409 HydrophobicContact CB-CB 3.73Å; N368-H409 PolarHBondContact O-N 3.01Å; N368-S412 VanDerWaalsContact C-CB 3.41Å; N368-S412 WeakPolarHBondContact O-CB 3.42Å
369	V	98.8	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.			trans	-85.3	165.2	168.4	-60	0	0	0	0	110.7	L84 A345 F366 T367 V377 W379	L84-V369 HydrophobicContact CD1-CG2 3.48Å; L84-V369 VanDerWaalsContact CD1-CG2 3.48Å; A345-V369 HydrophobicContact CB-CG1 3.74Å; F366-V369 HydrophobicContact CB-CG2 3.71Å; F366-V369 HydrophobicContact CD1-CG1 4.36Å; F366-V369 HydrophobicContact CD1-CG2 4.31Å; F366-V369 HydrophobicContact CG-CG2 4.25Å; T367-V369 VanDerWaalsContact C-N 3.32Å; T367-V369 PolarHBondContact O-N 2.92Å; V369-V377 HydrophobicContact CG2-CB 3.91Å; V369-V377 HydrophobicContact CG2-CG1 3.67Å; V369-W379 HydrophobicContact CB-CE3 4.25Å; V369-W379 HydrophobicContact CG1-CE3 3.94Å; V369-W379 HydrophobicContact CG1-CZ3 4.44Å
370	G	98.3	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	153.9	167.9	0	0	0	0	0	111.2	V377 W378 T392	G370-V377 CarbonylContact O-C 3.53Å; G370-V377 VanDerWaalsContact O-CA 3.27Å; G370-V377 WeakPolarHBondContact O-CA 3.48Å; G370-W378 VanDerWaalsContact CA-O 3.25Å; G370-W378 WeakPolarHBondContact CA-O 3.19Å; G370-W378 PolarHBondContact N-O 2.72Å; G370-W378 PolarHBondContact O-N 2.63Å; G370-T392 CarbonylContact C-O 3.57Å; G370-T392 WeakPolarHBondContact CA-O 3.27Å
371	E	98.2	Very high	97.9	Very high	15 Å²	15	24.5 Å²	24.5	7%	0.07	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.7	178.3	177.9	179.3	-163.6	0	0	110	K74 L84 R86 L391 T392	K74-E371 WeakPolarHBondContact CD-OE1 3.47Å; K74-E371 WeakPolarHBondContact CE-OE1 3.33Å; K74-E371 IonicContact NZ-OE1 3.67Å; K74-E371 PolarHBondContact NZ-OE1 3.14Å; K74-E371 IonicContact NZ-OE2 2.69Å; L84-E371 HydrophobicContact CD2-CB 3.84Å; L84-E371 HydrophobicContact CD2-CG 4.32Å; R86-E371 IonicContact CZ-OE2 2.7Å; R86-E371 IonicContact NH1-OE2 3.75Å; R86-E371 PolarHBondContact NH1-OE2 3.36Å; R86-E371 IonicContact NH2-OE2 2.67Å; R86-E371 PolarHBondContact NH2-OE2 3.44Å; E371-L391 WeakPolarHBondContact O-CA 3.25Å; E371-T392 PolarHBondContact N-O 3.07Å; E371-T392 PolarHBondContact O-N 2.8Å
372	T	98.3	Very high	97.7	Very high	6 Å²	6	24 Å²	24	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147.6	173	60.8	0	0	0	0	110.8	D374 G375 G376 W378 V389 T390 L391	T372-D374 WeakPolarHBondContact CB-OD1 3.47Å; T372-D374 PolarHBondContact O-N 2.88Å; T372-D374 VanDerWaalsContact O-N 3.14Å; T372-D374 PolarHBondContact OG1-OD1 2.83Å; T372-G375 PolarHBondContact O-N 2.59Å; T372-G376 PolarHBondContact N-O 2.91Å; T372-G376 WeakPolarHBondContact OG1-CA 3.49Å; T372-G376 PolarHBondContact OG1-N 3.05Å; T372-G376 PolarHBondContact OG1-O 3.08Å; T372-W378 HydrophobicContact CG2-CB 4.02Å; T372-V389 HydrophobicContact CG2-CG1 4.23Å; T372-T390 WeakPolarHBondContact CA-O 3.21Å; T372-L391 HydrophobicContact CG2-CD2 3.6Å
373	S	97.8	Very high	97.4	Very high	74 Å²	74	26.9 Å²	26.9	52%	0.517	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.3	-178.6	62	0	0	0	0	114.8	G375 V389 T390	S373-G375 VanDerWaalsContact C-N 3.25Å; S373-V389 WeakPolarHBondContact OG-CA 3.25Å; S373-T390 WeakPolarHBondContact CB-OG1 3.37Å; S373-T390 PolarHBondContact N-O 2.88Å; S373-T390 PolarHBondContact OG-N 3.47Å
374	D	97	Very high	96.9	Very high	66 Å²	66	28.9 Å²	28.9	35%	0.353	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	10.9	172.6	67.7	-16.5	0	0	0	113	K78 T372 V389	K78-D374 WeakPolarHBondContact CE-OD2 3.32Å; K78-D374 IonicContact NZ-OD1 2.75Å; K78-D374 IonicContact NZ-OD2 2.8Å; K78-D374 PolarHBondContact NZ-OD2 3.41Å; T372-D374 WeakPolarHBondContact CB-OD1 3.47Å; T372-D374 PolarHBondContact O-N 2.88Å; T372-D374 VanDerWaalsContact O-N 3.14Å; T372-D374 PolarHBondContact OG1-OD1 2.83Å; D374-V389 HydrophobicContact CB-CG2 4.47Å
375	G	97.2	Very high	96.4	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	18%	0.181	C	C	.	.	S	Bend	trans	84.6	24.3	171.5	0	0	0	0	0	115.3	L76 P77 K78 T372 S373	L76-G375 CarbonylContact C-O 3.35Å; L76-G375 WeakPolarHBondContact CA-O 3.2Å; L76-G375 WeakPolarHBondContact CB-O 3.4Å; P77-G375 WeakPolarHBondContact CD-O 3.27Å; K78-G375 VanDerWaalsContact CB-O 3.26Å; K78-G375 WeakPolarHBondContact CB-O 3.33Å; K78-G375 PolarHBondContact N-O 3.01Å; K78-G375 VanDerWaalsContact N-O 3.17Å; T372-G375 PolarHBondContact O-N 2.59Å; S373-G375 VanDerWaalsContact C-N 3.25Å
376	G	97.9	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.			trans	-108.1	-165.4	174.5	0	0	0	0	0	113.5	T372	T372-G376 PolarHBondContact N-O 2.91Å; T372-G376 WeakPolarHBondContact OG1-CA 3.49Å; T372-G376 PolarHBondContact OG1-N 3.05Å; T372-G376 PolarHBondContact OG1-O 3.08Å
377	V	98.3	Very high	95.7	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.5	179.7	-64	0	0	0	0	111.8	L76 Y79 F366 V369 G370 W379	L76-V377 HydrophobicContact CD1-CG1 3.54Å; L76-V377 HydrophobicContact CD2-CG1 4.12Å; L76-V377 HydrophobicContact CG-CG1 4.48Å; Y79-V377 HydrophobicContact CE2-CB 4.48Å; Y79-V377 HydrophobicContact CE2-CG1 4.27Å; Y79-V377 HydrophobicContact CE2-CG2 3.89Å; Y79-V377 PolarHBondContact OH-N 3.11Å; F366-V377 HydrophobicContact CD1-CG1 4.44Å; F366-V377 HydrophobicContact CD1-CG2 4.5Å; F366-V377 HydrophobicContact CD2-CG1 4.13Å; F366-V377 HydrophobicContact CE1-CG2 4.13Å; F366-V377 HydrophobicContact CE2-CG1 4.45Å; F366-V377 HydrophobicContact CG-CG1 4.12Å; F366-V377 HydrophobicContact CZ-CG2 4.17Å; V369-V377 HydrophobicContact CG2-CB 3.91Å; V369-V377 HydrophobicContact CG2-CG1 3.67Å; G370-V377 CarbonylContact O-C 3.53Å; G370-V377 VanDerWaalsContact O-CA 3.27Å; G370-V377 WeakPolarHBondContact O-CA 3.48Å; V377-W379 HydrophobicContact CB-CZ3 4.18Å; V377-W379 HydrophobicContact CG2-CE3 4.28Å; V377-W379 HydrophobicContact CG2-CH2 4.2Å; V377-W379 HydrophobicContact CG2-CZ3 3.5Å; V377-W379 VanDerWaalsContact CG2-CZ3 3.5Å
378	W	97.9	Very high	95.3	Very high	24 Å²	24	42.4 Å²	42.4	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.5	175.4	-166.4	89.5	0	0	0	111.7	G370 T372 E383 L391 W399 C407	G370-W378 VanDerWaalsContact CA-O 3.25Å; G370-W378 WeakPolarHBondContact CA-O 3.19Å; G370-W378 PolarHBondContact N-O 2.72Å; G370-W378 PolarHBondContact O-N 2.63Å; T372-W378 HydrophobicContact CG2-CB 4.02Å; W378-E383 PolarHBondContact NE1-O 2.84Å; W378-L391 HydrophobicContact CB-CD2 3.51Å; W378-L391 HydrophobicContact CD2-CD1 3.96Å; W378-L391 HydrophobicContact CD2-CD2 4.28Å; W378-L391 HydrophobicContact CE3-CD1 4.21Å; W378-L391 HydrophobicContact CG-CD1 4.2Å; W378-L391 HydrophobicContact CG-CD2 3.73Å; W378-W399 HydrophobicContact CE3-CZ3 4.27Å; W378-W399 AromaticContact CH2-CH2 3.6Å; W378-W399 HydrophobicContact CH2-CH2 3.6Å; W378-W399 AromaticContact CH2-CZ3 3.87Å; W378-W399 HydrophobicContact CH2-CZ3 3.87Å; W378-W399 AromaticContact CZ3-CH2 3.6Å; W378-W399 HydrophobicContact CZ3-CH2 3.6Å; W378-W399 HydrophobicContact CZ3-CZ2 4.34Å; W378-W399 AromaticContact CZ3-CZ3 3.73Å; W378-W399 HydrophobicContact CZ3-CZ3 3.73Å; W378-C407 HydrophobicContact CE3-CB 3.46Å; W378-C407 VanDerWaalsContact CE3-CB 3.46Å; W378-C407 HydrophobicContact CZ3-CB 3.38Å
379	W	97.8	Very high	95.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.008	30%	0.295	C	S	.	.			trans	-156.6	167.2	173.5	55.6	73.6	0	0	0	110.9	A345 P346 T348 M357 I360 F366 V369 V377 G381 L382 A408	A345-W379 HydrophobicContact CB-CD2 3.94Å; A345-W379 HydrophobicContact CB-CE3 3.87Å; A345-W379 HydrophobicContact CB-CG 4.44Å; A345-W379 HydrophobicContact CB-CZ3 4.2Å; A345-W379 PolarHBondContact O-NE1 2.72Å; P346-W379 HydrophobicContact CG-CB 4.42Å; T348-W379 PolarHBondContact O-NE1 3.38Å; M357-W379 HydrophobicContact CE-CZ2 4.42Å; M357-W379 HydrophobicContact SD-CH2 4.42Å; M357-W379 HydrophobicContact SD-CZ2 3.93Å; I360-W379 HydrophobicContact CD1-CH2 3.72Å; I360-W379 HydrophobicContact CD1-CZ2 4.33Å; F366-W379 HydrophobicContact CD1-CZ3 4.37Å; F366-W379 HydrophobicContact CE1-CH2 4.32Å; F366-W379 AromaticContact CE1-CZ3 4Å; F366-W379 HydrophobicContact CE1-CZ3 4Å; V369-W379 HydrophobicContact CB-CE3 4.25Å; V369-W379 HydrophobicContact CG1-CE3 3.94Å; V369-W379 HydrophobicContact CG1-CZ3 4.44Å; V377-W379 HydrophobicContact CB-CZ3 4.18Å; V377-W379 HydrophobicContact CG2-CE3 4.28Å; V377-W379 HydrophobicContact CG2-CH2 4.2Å; V377-W379 HydrophobicContact CG2-CZ3 3.5Å; V377-W379 VanDerWaalsContact CG2-CZ3 3.5Å; W379-G381 PolarHBondContact O-N 3.17Å; W379-L382 HydrophobicContact CD2-CD1 3.7Å; W379-L382 HydrophobicContact CD2-CG 4.24Å; W379-L382 HydrophobicContact CE3-CD1 4.13Å; W379-L382 HydrophobicContact CG-CD1 4.11Å; W379-L382 HydrophobicContact CG-CG 4.32Å; W379-L382 HydrophobicContact CH2-CD1 4.21Å; W379-L382 HydrophobicContact CZ2-CD1 3.8Å; W379-L382 HydrophobicContact CZ2-CD2 4.16Å; W379-L382 HydrophobicContact CZ2-CG 4.18Å; W379-L382 HydrophobicContact CZ3-CD1 4.38Å; W379-L382 PolarHBondContact O-N 2.87Å; W379-L382 VanDerWaalsContact O-N 3.17Å; W379-A408 HydrophobicContact CB-CB 3.5Å
380	E	95.8	Very high	95.2	Very high	56 Å²	56	47.8 Å²	47.8	26%	0.262	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	123.2	177.5	-68.4	66.5	-148	0	0	111.3	G347 P406 C407 A408	G347-E380 PolarHBondContact N-O 3.29Å; E380-P406 HydrophobicContact CG-CB 4.32Å; E380-P406 WeakPolarHBondContact OE1-CA 3.36Å; E380-P406 WeakPolarHBondContact OE1-CB 3.46Å; E380-C407 PolarHBondContact OE1-N 3.13Å; E380-A408 PolarHBondContact OE2-N 3.17Å
381	G	93.2	Very high	95.1	Very high	49 Å²	49	48 Å²	48	51%	0.505	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.7	-8.9	-177.5	0	0	0	0	0	114.3	W379	W379-G381 PolarHBondContact O-N 3.17Å
382	L	94.8	Very high	95.1	Very high	35 Å²	35	49.1 Å²	49.1	18%	0.183	33%	0.329	C	S	.	.	S	Bend	trans	-84.4	153.9	163.9	-67	176.5	0	0	0	110.9	T348 M357 W379	T348-L382 WeakPolarHBondContact O-CD2 3.45Å; M357-L382 HydrophobicContact CE-CD2 4.01Å; M357-L382 HydrophobicContact SD-CD2 4.39Å; W379-L382 HydrophobicContact CD2-CD1 3.7Å; W379-L382 HydrophobicContact CD2-CG 4.24Å; W379-L382 HydrophobicContact CE3-CD1 4.13Å; W379-L382 HydrophobicContact CG-CD1 4.11Å; W379-L382 HydrophobicContact CG-CG 4.32Å; W379-L382 HydrophobicContact CH2-CD1 4.21Å; W379-L382 HydrophobicContact CZ2-CD1 3.8Å; W379-L382 HydrophobicContact CZ2-CD2 4.16Å; W379-L382 HydrophobicContact CZ2-CG 4.18Å; W379-L382 HydrophobicContact CZ3-CD1 4.38Å; W379-L382 PolarHBondContact O-N 2.87Å; W379-L382 VanDerWaalsContact O-N 3.17Å
383	E	91.4	Very high	95.1	Very high	160 Å²	160	49.2 Å²	49.2	75%	0.748	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-59.1	153.2	170.8	-66.3	-58	143.2	0	0	111	W378	W378-E383 PolarHBondContact NE1-O 2.84Å
384	P	88.4	Confident	95.1	Very high	93 Å²	93	46.4 Å²	46.4	60%	0.604	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-54	143.8	172.8	-24.5	34.4	0	0	0	111.4
385	P	88.5	Confident	95.1	Very high	37 Å²	37	46.1 Å²	46.1	24%	0.24	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.4	159.3	177.4	31.5	-37.4	0	0	0	111	V389 L391	P385-V389 HydrophobicContact CB-CB 4.03Å; P385-V389 HydrophobicContact CB-CG1 3.9Å; P385-L391 HydrophobicContact CG-CD1 3.99Å; P385-L391 HydrophobicContact CG-CD2 4.32Å; P385-L391 HydrophobicContact CG-CG 4.06Å
386	A	90.7	Very high	95	Very high	70 Å²	70	47.9 Å²	47.9	58%	0.579	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-56.3	153.8	178	0	0	0	0	0	112.1	G388 V389	A386-G388 PolarHBondContact O-N 2.51Å; A386-V389 HydrophobicContact CB-CG2 4.26Å; A386-V389 WeakPolarHBondContact O-CB 3.3Å; A386-V389 PolarHBondContact O-N 3.39Å
387	A	91.4	Very high	95	Very high	109 Å²	109	54.4 Å²	54.4	90%	0.901	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.2	179.5	0	0	0	0	0	111.4	V389	A387-V389 VanDerWaalsContact C-N 3.33Å
388	G	92.3	Very high	94.9	Very high	77 Å²	77	59.6 Å²	59.6	79%	0.794	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-11.5	-177.9	0	0	0	0	0	115.3	A386	A386-G388 PolarHBondContact O-N 2.51Å
389	V	96.5	Very high	94.8	Very high	30 Å²	30	59.4 Å²	59.4	18%	0.182	38%	0.381	C	S	.	.			trans	-83	124.4	174	177.8	0	0	0	0	109.8	T372 S373 D374 P385 A386 A387	T372-V389 HydrophobicContact CG2-CG1 4.23Å; S373-V389 WeakPolarHBondContact OG-CA 3.25Å; D374-V389 HydrophobicContact CB-CG2 4.47Å; P385-V389 HydrophobicContact CB-CB 4.03Å; P385-V389 HydrophobicContact CB-CG1 3.9Å; A386-V389 HydrophobicContact CB-CG2 4.26Å; A386-V389 WeakPolarHBondContact O-CB 3.3Å; A386-V389 PolarHBondContact O-N 3.39Å; A387-V389 VanDerWaalsContact C-N 3.33Å
390	T	97.1	Very high	94.6	Very high	84 Å²	84	66.4 Å²	66.4	52%	0.515	41%	0.411	S	S	.	.			trans	-96.3	159	177.3	65.4	0	0	0	0	111.3	T372 S373	T372-T390 WeakPolarHBondContact CA-O 3.21Å; S373-T390 WeakPolarHBondContact CB-OG1 3.37Å; S373-T390 PolarHBondContact N-O 2.88Å; S373-T390 PolarHBondContact OG-N 3.47Å
391	L	97.9	Very high	94.2	Very high	5 Å²	5	68 Å²	68	3%	0.026	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.7	-179.2	-69.4	171.7	0	0	0	110.9	E371 T372 W378 P385 W399	E371-L391 WeakPolarHBondContact O-CA 3.25Å; T372-L391 HydrophobicContact CG2-CD2 3.6Å; W378-L391 HydrophobicContact CB-CD2 3.51Å; W378-L391 HydrophobicContact CD2-CD1 3.96Å; W378-L391 HydrophobicContact CD2-CD2 4.28Å; W378-L391 HydrophobicContact CE3-CD1 4.21Å; W378-L391 HydrophobicContact CG-CD1 4.2Å; W378-L391 HydrophobicContact CG-CD2 3.73Å; P385-L391 HydrophobicContact CG-CD1 3.99Å; P385-L391 HydrophobicContact CG-CD2 4.32Å; P385-L391 HydrophobicContact CG-CG 4.06Å; L391-W399 HydrophobicContact CB-CB 4.38Å; L391-W399 HydrophobicContact CB-CE3 3.97Å; L391-W399 HydrophobicContact CD1-CE3 3.47Å; L391-W399 VanDerWaalsContact CD1-CE3 3.47Å; L391-W399 HydrophobicContact CD1-CZ3 3.47Å; L391-W399 VanDerWaalsContact CD1-CZ3 3.47Å; L391-W399 HydrophobicContact CG-CE3 4.37Å; L391-W399 PolarHBondContact O-N 3.49Å
392	T	98.2	Very high	93.7	Very high	38 Å²	38	69.7 Å²	69.7	23%	0.233	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	168	-57.9	0	0	0	0	108.2	G370 E371 G396 K397	G370-T392 CarbonylContact C-O 3.57Å; G370-T392 WeakPolarHBondContact CA-O 3.27Å; E371-T392 PolarHBondContact N-O 3.07Å; E371-T392 PolarHBondContact O-N 2.8Å; T392-G396 VanDerWaalsContact CG2-C 3.43Å; T392-K397 CarbonylContact C-O 3.49Å; T392-K397 WeakPolarHBondContact CA-O 3.43Å
393	D	97.9	Very high	93.5	Very high	7 Å²	7	70.5 Å²	70.5	4%	0.037	45%	0.453	C	S	.	.			trans	-70.5	174.3	179.3	78.9	-2.9	0	0	0	112.6	R86 H395 G396 K397 W399 C407	R86-D393 PolarHBondContact NE-O 3.13Å; D393-H395 PolarHBondContact O-N 3.36Å; D393-H395 WeakPolarHBondContact OD1-CA 3.39Å; D393-H395 WeakPolarHBondContact OD1-CB 3.43Å; D393-H395 PolarHBondContact OD1-N 3.04Å; D393-H395 IonicContact OD2-CG 3.63Å; D393-H395 IonicContact OD2-ND1 3.08Å; D393-H395 PolarHBondContact OD2-ND1 3Å; D393-G396 PolarHBondContact O-N 3.32Å; D393-G396 PolarHBondContact OD1-N 2.88Å; D393-K397 PolarHBondContact N-O 2.75Å; D393-K397 PolarHBondContact OD1-N 3.29Å; D393-W399 HydrophobicContact CB-CB 4.01Å; D393-W399 HydrophobicContact CB-CG 4.24Å; D393-C407 CarbonylContact C-O 3.59Å; D393-C407 VanDerWaalsContact CA-O 3.27Å; D393-C407 WeakPolarHBondContact CA-O 3.49Å; D393-C407 WeakPolarHBondContact CB-O 3.49Å
394	W	97.8	Very high	93.5	Very high	15 Å²	15	69 Å²	69	6%	0.057	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.3	178	74.2	-83.9	0	0	0	114.3	R86 P89 V92 N368 G396 C407 H409	R86-W394 WeakPolarHBondContact CD-O 3.36Å; P89-W394 HydrophobicContact CB-CH2 3.86Å; P89-W394 HydrophobicContact CB-CZ3 4.22Å; P89-W394 HydrophobicContact CG-CH2 4.11Å; P89-W394 HydrophobicContact CG-CZ3 4.12Å; V92-W394 HydrophobicContact CG1-CH2 4.04Å; V92-W394 HydrophobicContact CG1-CZ3 3.82Å; N368-W394 HydrophobicContact CB-CB 4.16Å; N368-W394 HydrophobicContact CB-CD2 4.46Å; N368-W394 HydrophobicContact CB-CE3 4.08Å; N368-W394 WeakPolarHBondContact O-CB 3.47Å; W394-G396 VanDerWaalsContact C-N 3.3Å; W394-C407 PolarHBondContact N-O 3.17Å; W394-H409 VanDerWaalsContact CD1-N 3.33Å; W394-H409 HydrophobicContact CD2-CB 3.83Å; W394-H409 AromaticContact CE2-CD2 3.94Å; W394-H409 HydrophobicContact CE3-CB 4.24Å; W394-H409 HydrophobicContact CG-CB 4.08Å; W394-H409 AromaticContact CH2-CD2 3.72Å; W394-H409 HydrophobicContact CZ2-CB 4.33Å; W394-H409 AromaticContact CZ2-CD2 3.51Å
395	H	96.2	Very high	93.7	Very high	61 Å²	61	67.9 Å²	67.9	28%	0.282	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.8	169.1	-54.2	98.8	0	0	0	112.8	D393 K397	D393-H395 PolarHBondContact O-N 3.36Å; D393-H395 WeakPolarHBondContact OD1-CA 3.39Å; D393-H395 WeakPolarHBondContact OD1-CB 3.43Å; D393-H395 PolarHBondContact OD1-N 3.04Å; D393-H395 IonicContact OD2-CG 3.63Å; D393-H395 IonicContact OD2-ND1 3.08Å; D393-H395 PolarHBondContact OD2-ND1 3Å; H395-K397 HydrophobicContact CB-CD 4.46Å; H395-K397 HydrophobicContact CB-CG 4.37Å
396	G	95.8	Very high	94.1	Very high	43 Å²	43	68.4 Å²	68.4	44%	0.443	46%	0.455	S	S	.	.	S	Bend	trans	80.8	21.6	-176.3	0	0	0	0	0	113.9	T392 D393 W394	T392-G396 VanDerWaalsContact CG2-C 3.43Å; D393-G396 PolarHBondContact O-N 3.32Å; D393-G396 PolarHBondContact OD1-N 2.88Å; W394-G396 VanDerWaalsContact C-N 3.3Å
397	K	96.4	Very high	94.4	Very high	138 Å²	138	65.1 Å²	65.1	60%	0.6	43%	0.428	S	S	*	.			trans	-108.8	148.1	-179.3	-61.7	179.7	-178	177.3	0	111.2	T392 D393 H395 W399	T392-K397 CarbonylContact C-O 3.49Å; T392-K397 WeakPolarHBondContact CA-O 3.43Å; D393-K397 PolarHBondContact N-O 2.75Å; D393-K397 PolarHBondContact OD1-N 3.29Å; H395-K397 HydrophobicContact CB-CD 4.46Å; H395-K397 HydrophobicContact CB-CG 4.37Å; K397-W399 PolarHBondContact O-N 3.3Å
398	T	96.7	Very high	94.7	Very high	118 Å²	118	59.9 Å²	59.9	72%	0.724	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	133.1	172.5	-54.4	0	0	0	0	110.7
399	W	97	Very high	95	Very high	20 Å²	20	57.5 Å²	57.5	8%	0.076	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.3	-176.7	-171.1	94	0	0	0	111.2	W378 L391 D393 K397 P401 T405 C407	W378-W399 HydrophobicContact CE3-CZ3 4.27Å; W378-W399 AromaticContact CH2-CH2 3.6Å; W378-W399 HydrophobicContact CH2-CH2 3.6Å; W378-W399 AromaticContact CH2-CZ3 3.87Å; W378-W399 HydrophobicContact CH2-CZ3 3.87Å; W378-W399 AromaticContact CZ3-CH2 3.6Å; W378-W399 HydrophobicContact CZ3-CH2 3.6Å; W378-W399 HydrophobicContact CZ3-CZ2 4.34Å; W378-W399 AromaticContact CZ3-CZ3 3.73Å; W378-W399 HydrophobicContact CZ3-CZ3 3.73Å; L391-W399 HydrophobicContact CB-CB 4.38Å; L391-W399 HydrophobicContact CB-CE3 3.97Å; L391-W399 HydrophobicContact CD1-CE3 3.47Å; L391-W399 VanDerWaalsContact CD1-CE3 3.47Å; L391-W399 HydrophobicContact CD1-CZ3 3.47Å; L391-W399 VanDerWaalsContact CD1-CZ3 3.47Å; L391-W399 HydrophobicContact CG-CE3 4.37Å; L391-W399 PolarHBondContact O-N 3.49Å; D393-W399 HydrophobicContact CB-CB 4.01Å; D393-W399 HydrophobicContact CB-CG 4.24Å; K397-W399 PolarHBondContact O-N 3.3Å; W399-P401 HydrophobicContact CH2-CB 4.46Å; W399-P401 HydrophobicContact CZ3-CB 4.41Å; W399-P401 HydrophobicContact CZ3-CG 4Å; W399-P401 VanDerWaalsContact CZ3-N 3.31Å; W399-T405 PolarHBondContact NE1-O 3.04Å; W399-C407 HydrophobicContact CD2-CB 3.54Å; W399-C407 HydrophobicContact CE3-CB 3.79Å; W399-C407 HydrophobicContact CG-CB 4.01Å; W399-C407 HydrophobicContact CH2-CB 4.1Å; W399-C407 HydrophobicContact CZ2-CB 3.9Å; W399-C407 HydrophobicContact CZ3-CB 4.05Å
400	K	92.1	Very high	94.8	Very high	149 Å²	149	59.2 Å²	59.2	65%	0.648	37%	0.365	S	S	*	.			trans	-137.1	147.8	175.5	-63.8	-176.9	-178.6	-179	0	110.7	G402 S403	K400-G402 PolarHBondContact O-N 2.95Å; K400-S403 PolarHBondContact N-OG 3Å; K400-S403 WeakPolarHBondContact O-CB 3.45Å; K400-S403 PolarHBondContact O-N 3.09Å; K400-S403 PolarHBondContact O-OG 2.84Å
401	P	87.1	Confident	94.7	Very high	89 Å²	89	55.4 Å²	55.4	58%	0.578	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	134.3	171.1	-27.6	35.5	0	0	0	111.9	W399	W399-P401 HydrophobicContact CH2-CB 4.46Å; W399-P401 HydrophobicContact CZ3-CB 4.41Å; W399-P401 HydrophobicContact CZ3-CG 4Å; W399-P401 VanDerWaalsContact CZ3-N 3.31Å
402	G	83.8	Confident	94.7	Very high	85 Å²	85	55.1 Å²	55.1	88%	0.876	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	0.3	-175.8	0	0	0	0	0	115.3	K400	K400-G402 PolarHBondContact O-N 2.95Å
403	S	89.9	Confident	94.6	Very high	52 Å²	52	55 Å²	55	36%	0.364	34%	0.335	S	S	.	.			trans	-60.3	151.5	170.4	-61.4	0	0	0	0	111.5	K400 T405	K400-S403 PolarHBondContact N-OG 3Å; K400-S403 WeakPolarHBondContact O-CB 3.45Å; K400-S403 PolarHBondContact O-N 3.09Å; K400-S403 PolarHBondContact O-OG 2.84Å; S403-T405 PolarHBondContact O-N 3.41Å
404	S	91.1	Very high	94.7	Very high	129 Å²	129	54.7 Å²	54.7	90%	0.902	33%	0.333	S	S	*	.	S	Bend	trans	-70	-13.3	-177.5	57.6	0	0	0	0	114.6
405	T	93.6	Very high	94.7	Very high	69 Å²	69	54 Å²	54	42%	0.423	33%	0.331	S	S	.	.	S	Bend	trans	-118.8	149.6	178.1	53.2	0	0	0	0	109.8	W399 S403	W399-T405 PolarHBondContact NE1-O 3.04Å; S403-T405 PolarHBondContact O-N 3.41Å
406	P	95.9	Very high	94.8	Very high	49 Å²	49	51.1 Å²	51.1	32%	0.318	32%	0.317	S	S	.	.			trans	-70.6	147.9	176.8	31.6	-35.9	0	0	0	111.1	E380 A408 P410	E380-P406 HydrophobicContact CG-CB 4.32Å; E380-P406 WeakPolarHBondContact OE1-CA 3.36Å; E380-P406 WeakPolarHBondContact OE1-CB 3.46Å; P406-A408 WeakPolarHBondContact CB-O 3.47Å; P406-P410 HydrophobicContact CG-CG 4.39Å
407	C	97.6	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-68.8	-40.6	175.8	-167.4	0	0	0	0	111.3	W378 E380 D393 W394 W399	W378-C407 HydrophobicContact CE3-CB 3.46Å; W378-C407 VanDerWaalsContact CE3-CB 3.46Å; W378-C407 HydrophobicContact CZ3-CB 3.38Å; E380-C407 PolarHBondContact OE1-N 3.13Å; D393-C407 CarbonylContact C-O 3.59Å; D393-C407 VanDerWaalsContact CA-O 3.27Å; D393-C407 WeakPolarHBondContact CA-O 3.49Å; D393-C407 WeakPolarHBondContact CB-O 3.49Å; W394-C407 PolarHBondContact N-O 3.17Å; W399-C407 HydrophobicContact CD2-CB 3.54Å; W399-C407 HydrophobicContact CE3-CB 3.79Å; W399-C407 HydrophobicContact CG-CB 4.01Å; W399-C407 HydrophobicContact CH2-CB 4.1Å; W399-C407 HydrophobicContact CZ2-CB 3.9Å; W399-C407 HydrophobicContact CZ3-CB 4.05Å
408	A	98.1	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-103.5	149.7	173.5	0	0	0	0	0	110.5	P346 W379 E380 P406	P346-A408 HydrophobicContact CG-CB 4.43Å; W379-A408 HydrophobicContact CB-CB 3.5Å; E380-A408 PolarHBondContact OE2-N 3.17Å; P406-A408 WeakPolarHBondContact CB-O 3.47Å
409	H	97.2	Very high	95.1	Very high	27 Å²	27	40.8 Å²	40.8	13%	0.125	27%	0.267	C	S	.	.			trans	-63.2	138.5	170.6	-174.8	-100.1	0	0	0	109	V92 P346 N368 W394 N411 S412	V92-H409 WeakPolarHBondContact CG2-NE2 3.44Å; P346-H409 WeakPolarHBondContact CG-O 3.49Å; N368-H409 HydrophobicContact CB-CB 3.73Å; N368-H409 PolarHBondContact O-N 3.01Å; W394-H409 VanDerWaalsContact CD1-N 3.33Å; W394-H409 HydrophobicContact CD2-CB 3.83Å; W394-H409 AromaticContact CE2-CD2 3.94Å; W394-H409 HydrophobicContact CE3-CB 4.24Å; W394-H409 HydrophobicContact CG-CB 4.08Å; W394-H409 AromaticContact CH2-CD2 3.72Å; W394-H409 HydrophobicContact CZ2-CB 4.33Å; W394-H409 AromaticContact CZ2-CD2 3.51Å; H409-N411 PolarHBondContact ND1-N 3.31Å; H409-N411 VanDerWaalsContact ND1-N 3.12Å; H409-N411 PolarHBondContact O-N 2.99Å; H409-S412 WeakPolarHBondContact O-CB 3.38Å; H409-S412 PolarHBondContact O-N 3.11Å; H409-S412 PolarHBondContact O-OG 2.97Å
410	P	94.1	Very high	95.2	Very high	66 Å²	66	40.9 Å²	40.9	43%	0.429	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.5	-179.8	-29.1	36.6	0	0	0	115.1	P406 A474	P406-P410 HydrophobicContact CG-CG 4.39Å; P410-A474 HydrophobicContact CB-CB 3.8Å
411	N	94	Very high	95.5	Very high	3 Å²	3	34 Å²	34	2%	0.016	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	22.9	175.2	-169.5	43.7	0	0	0	112.4	V92 Y244 H409 R413 A474	V92-N411 PolarHBondContact O-ND2 3.23Å; V92-N411 VanDerWaalsContact O-ND2 3.09Å; Y244-N411 PolarHBondContact OH-ND2 2.76Å; Y244-N411 PolarHBondContact OH-O 2.71Å; H409-N411 PolarHBondContact ND1-N 3.31Å; H409-N411 VanDerWaalsContact ND1-N 3.12Å; H409-N411 PolarHBondContact O-N 2.99Å; N411-R413 PolarHBondContact OD1-NE 3.45Å; N411-R413 PolarHBondContact OD1-NH2 3.17Å; N411-A474 WeakPolarHBondContact CB-O 3.34Å
412	S	97.3	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	24%	0.237	C	C	.	.			trans	-62.9	153.1	171.6	56.4	0	0	0	0	111.2	A345 P346 T367 N368 H409	A345-S412 PolarHBondContact N-O 3.41Å; P346-S412 WeakPolarHBondContact CD-OG 3.47Å; P346-S412 WeakPolarHBondContact CG-OG 3.32Å; T367-S412 VanDerWaalsContact O-CA 3.28Å; T367-S412 WeakPolarHBondContact O-CA 3.28Å; T367-S412 WeakPolarHBondContact O-CB 3.21Å; N368-S412 VanDerWaalsContact C-CB 3.41Å; N368-S412 WeakPolarHBondContact O-CB 3.42Å; H409-S412 WeakPolarHBondContact O-CB 3.38Å; H409-S412 PolarHBondContact O-N 3.11Å; H409-S412 PolarHBondContact O-OG 2.97Å
413	R	97.9	Very high	96.8	Very high	34 Å²	34	30.3 Å²	30.3	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	-165.3	-61	-69.7	178.4	159.9	-8.6	112	Y244 F342 G343 V344 F366 T367 N411	Y244-R413 WeakPolarHBondContact OH-CG 3.47Å; Y244-R413 PolarHBondContact OH-NE 3.12Å; F342-R413 HydrophobicContact CD1-CG 4.16Å; F342-R413 HydrophobicContact CD2-CB 4.4Å; F342-R413 HydrophobicContact CE1-CB 4.13Å; F342-R413 HydrophobicContact CE1-CG 3.56Å; F342-R413 HydrophobicContact CE2-CB 3.91Å; F342-R413 HydrophobicContact CE2-CG 4.25Å; F342-R413 HydrophobicContact CZ-CB 3.76Å; F342-R413 HydrophobicContact CZ-CG 3.61Å; F342-R413 PolarHBondContact O-NH1 3.16Å; G343-R413 VanDerWaalsContact O-CA 3.23Å; G343-R413 WeakPolarHBondContact O-CA 3.32Å; G343-R413 WeakPolarHBondContact O-CD 3.2Å; V344-R413 VanDerWaalsContact CG2-CZ 3.41Å; F366-R413 CarbonylContact C-O 3.48Å; F366-R413 WeakPolarHBondContact CA-O 3.43Å; T367-R413 PolarHBondContact N-O 2.84Å; T367-R413 PolarHBondContact O-N 2.99Å; N411-R413 PolarHBondContact OD1-NE 3.45Å; N411-R413 PolarHBondContact OD1-NH2 3.17Å
414	F	98.3	Very high	97.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.6	154.7	57	-102	0	0	0	108.9	F341 F342 G343 A345 A356 I360 T364 F366 A416	F341-F414 HydrophobicContact CB-CE2 4.14Å; F342-F414 CarbonylContact C-O 3.56Å; F342-F414 VanDerWaalsContact CA-O 3.31Å; F342-F414 WeakPolarHBondContact CA-O 3.35Å; G343-F414 PolarHBondContact N-O 3.31Å; G343-F414 VanDerWaalsContact N-O 3.09Å; G343-F414 PolarHBondContact O-N 3.49Å; G343-F414 VanDerWaalsContact O-N 3.09Å; A345-F414 HydrophobicContact CB-CD1 4.22Å; A356-F414 HydrophobicContact CB-CZ 4.41Å; I360-F414 HydrophobicContact CG2-CB 3.9Å; I360-F414 HydrophobicContact CG2-CD1 4.03Å; I360-F414 HydrophobicContact CG2-CD2 3.42Å; I360-F414 VanDerWaalsContact CG2-CD2 3.42Å; I360-F414 HydrophobicContact CG2-CE1 4.39Å; I360-F414 HydrophobicContact CG2-CE2 3.83Å; I360-F414 HydrophobicContact CG2-CG 3.52Å; I360-F414 HydrophobicContact CG2-CZ 4.29Å; T364-F414 HydrophobicContact CG2-CB 3.97Å; F366-F414 HydrophobicContact CD1-CB 3.88Å; F366-F414 HydrophobicContact CE1-CB 3.82Å; F414-A416 HydrophobicContact CD2-CB 4.45Å
415	C	98.7	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.6	173.2	-171.5	0	0	0	0	107.7	F341 F342 T364 V365	F341-C415 VanDerWaalsContact O-CA 3.31Å; F341-C415 WeakPolarHBondContact O-CA 3.26Å; F342-C415 HydrophobicContact CD2-CB 3.86Å; F342-C415 HydrophobicContact CE2-CB 4.2Å; T364-C415 WeakPolarHBondContact CA-O 3.26Å; V365-C415 HydrophobicContact CB-CB 4.33Å; V365-C415 PolarHBondContact N-O 3.28Å; V365-C415 WeakPolarHBondContact O-CB 3.34Å; V365-C415 PolarHBondContact O-N 3.17Å
416	A	98.8	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.7	-170.7	0	0	0	0	0	112	G340 F341 T359 I360 T364 F414	G340-A416 CarbonylContact C-O 3.56Å; G340-A416 WeakPolarHBondContact CA-O 3.37Å; F341-A416 PolarHBondContact N-O 3.32Å; F341-A416 PolarHBondContact O-N 3.29Å; T359-A416 HydrophobicContact CG2-CB 4.12Å; I360-A416 HydrophobicContact CG2-CB 4.18Å; T364-A416 HydrophobicContact CG2-CB 4.11Å; T364-A416 WeakPolarHBondContact OG1-CB 3.29Å; F414-A416 HydrophobicContact CD2-CB 4.45Å
417	P	98.6	Very high	97.9	Very high	31 Å²	31	26.4 Å²	26.4	20%	0.201	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	137.4	178.4	-19.8	29.4	0	0	0	112.7	I180 N363 G419 Q420	I180-P417 HydrophobicContact CG1-CG 4.47Å; I180-P417 HydrophobicContact CG2-CG 4.16Å; N363-P417 HydrophobicContact CB-CG 4.43Å; N363-P417 VanDerWaalsContact O-CD 3.29Å; N363-P417 WeakPolarHBondContact O-CD 3.29Å; P417-G419 PolarHBondContact O-N 2.89Å; P417-Q420 HydrophobicContact CB-CG 4.15Å; P417-Q420 HydrophobicContact CG-CG 4.47Å; P417-Q420 PolarHBondContact O-N 3.45Å
418	A	98.6	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-66.2	-38.9	-173.4	0	0	0	0	0	112.5	N339 F341 Q420 C421 I424 W428	N339-A418 VanDerWaalsContact O-CB 3.31Å; N339-A418 WeakPolarHBondContact O-CB 2.97Å; N339-A418 PolarHBondContact O-N 3.21Å; F341-A418 HydrophobicContact CE1-CB 4.42Å; F341-A418 VanDerWaalsContact CE2-CA 3.5Å; F341-A418 HydrophobicContact CE2-CB 3.96Å; F341-A418 HydrophobicContact CZ-CB 3.89Å; A418-Q420 PolarHBondContact O-N 3.46Å; A418-C421 VanDerWaalsContact O-CB 3.3Å; A418-C421 WeakPolarHBondContact O-CB 3.34Å; A418-C421 PolarHBondContact O-N 2.98Å; A418-I424 HydrophobicContact CB-CD1 4.2Å; A418-W428 HydrophobicContact CB-CE3 4.25Å; A418-W428 HydrophobicContact CB-CH2 4.1Å; A418-W428 HydrophobicContact CB-CZ3 3.76Å
419	G	98.1	Very high	97.9	Very high	50 Å²	50	31.8 Å²	31.8	52%	0.515	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-61.8	-8.8	178.4	0	0	0	0	0	115.2	P417	P417-G419 PolarHBondContact O-N 2.89Å
420	Q	98.3	Very high	97.9	Very high	23 Å²	23	32 Å²	32	11%	0.107	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-84.7	-11	172.3	-57.4	-173	157.6	0	0	113.3	T359 R362 N363 P417 A418 P422	T359-Q420 HydrophobicContact CG2-CB 4.16Å; T359-Q420 PolarHBondContact O-NE2 2.8Å; R362-Q420 PolarHBondContact O-NE2 3.4Å; N363-Q420 VanDerWaalsContact CB-OE1 3.28Å; N363-Q420 PolarHBondContact ND2-OE1 3.16Å; P417-Q420 HydrophobicContact CB-CG 4.15Å; P417-Q420 HydrophobicContact CG-CG 4.47Å; P417-Q420 PolarHBondContact O-N 3.45Å; A418-Q420 PolarHBondContact O-N 3.46Å; Q420-P422 WeakPolarHBondContact O-CD 3.5Å
421	C	98.6	Very high	97.9	Very high	4 Å²	4	34 Å²	34	3%	0.027	19%	0.193	C	C	.	.			trans	-66.1	123.7	178.7	179.1	0	0	0	0	110.3	M304 F341 T359 A418 I423 I424	M304-C421 HydrophobicContact CE-CB 3.99Å; M304-C421 WeakPolarHBondContact CE-SG 3.17Å; F341-C421 HydrophobicContact CE2-CB 3.84Å; F341-C421 HydrophobicContact CZ-CB 4.25Å; T359-C421 HydrophobicContact CG2-CB 4.44Å; T359-C421 WeakPolarHBondContact OG1-CA 3.41Å; A418-C421 VanDerWaalsContact O-CB 3.3Å; A418-C421 WeakPolarHBondContact O-CB 3.34Å; A418-C421 PolarHBondContact O-N 2.98Å; C421-I423 PolarHBondContact O-N 3.31Å; C421-I423 VanDerWaalsContact SG-CG1 3.56Å; C421-I424 HydrophobicContact CB-CB 4.15Å; C421-I424 WeakPolarHBondContact O-CG2 3.22Å; C421-I424 PolarHBondContact O-N 2.91Å
422	P	98.5	Very high	97.9	Very high	80 Å²	80	40.5 Å²	40.5	52%	0.519	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.5	-178.1	-23.9	34.1	0	0	0	114.7	Y355 A358 Q420	Y355-P422 HydrophobicContact CD1-CB 4Å; Y355-P422 HydrophobicContact CD1-CG 4.15Å; Y355-P422 HydrophobicContact CE1-CB 4.39Å; A358-P422 HydrophobicContact CB-CG 3.73Å; Q420-P422 WeakPolarHBondContact O-CD 3.5Å
423	I	98.6	Very high	97.8	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.082	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	24.7	179	62.2	160.8	0	0	0	111.7	M304 E315 C316 Y355 C421 D425	M304-I423 HydrophobicContact CB-CD1 4.4Å; E315-I423 CarbonylContact C-O 3.24Å; E315-I423 WeakPolarHBondContact CA-O 3.44Å; C316-I423 PolarHBondContact N-O 2.82Å; Y355-I423 HydrophobicContact CD1-CG2 3.98Å; Y355-I423 HydrophobicContact CD2-CD1 3.42Å; Y355-I423 VanDerWaalsContact CD2-CD1 3.42Å; Y355-I423 HydrophobicContact CD2-CG1 3.84Å; Y355-I423 HydrophobicContact CD2-CG2 4.03Å; Y355-I423 HydrophobicContact CE1-CG2 3.66Å; Y355-I423 HydrophobicContact CE2-CD1 3.78Å; Y355-I423 HydrophobicContact CE2-CG1 4.28Å; Y355-I423 HydrophobicContact CE2-CG2 3.7Å; Y355-I423 HydrophobicContact CG-CD1 4.06Å; Y355-I423 HydrophobicContact CG-CG1 3.98Å; Y355-I423 HydrophobicContact CG-CG2 4.16Å; C421-I423 PolarHBondContact O-N 3.31Å; C421-I423 VanDerWaalsContact SG-CG1 3.56Å; I423-D425 PolarHBondContact O-N 2.87Å
424	I	98.8	Very high	97.9	Very high	34 Å²	34	39 Å²	39	17%	0.174	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-57.2	131.5	171.4	-163.4	73.8	0	0	0	109	C316 F341 A418 C421 W428	C316-I424 WeakPolarHBondContact O-CD1 3.38Å; F341-I424 HydrophobicContact CZ-CD1 4.35Å; A418-I424 HydrophobicContact CB-CD1 4.2Å; C421-I424 HydrophobicContact CB-CB 4.15Å; C421-I424 WeakPolarHBondContact O-CG2 3.22Å; C421-I424 PolarHBondContact O-N 2.91Å; I424-W428 HydrophobicContact CD1-CB 4.06Å; I424-W428 HydrophobicContact CD1-CD2 3.83Å; I424-W428 HydrophobicContact CD1-CE3 4.19Å; I424-W428 HydrophobicContact CD1-CG 3.8Å; I424-W428 HydrophobicContact CG1-CB 3.93Å; I424-W428 VanDerWaalsContact CG1-CD1 3.44Å; I424-W428 HydrophobicContact CG1-CD2 3.68Å; I424-W428 HydrophobicContact CG1-CG 3.38Å
425	D	98.8	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.			trans	-65.4	136.3	-179.5	-167.9	-78.4	0	0	0	109.8	K286 Y288 E315 C316 V317 I423 Q427 W428	K286-D425 VanDerWaalsContact CE-OD2 3.23Å; K286-D425 WeakPolarHBondContact CE-OD2 3.44Å; K286-D425 IonicContact NZ-OD1 3.78Å; K286-D425 IonicContact NZ-OD2 3.69Å; K286-D425 PolarHBondContact NZ-OD2 3.41Å; Y288-D425 VanDerWaalsContact CE1-OD2 3.31Å; Y288-D425 WeakPolarHBondContact CE1-OD2 3.43Å; Y288-D425 PolarHBondContact OH-OD1 3Å; Y288-D425 VanDerWaalsContact OH-OD1 3.09Å; Y288-D425 PolarHBondContact OH-OD2 2.8Å; E315-D425 HydrophobicContact CB-CB 3.95Å; E315-D425 WeakPolarHBondContact CB-OD2 3.47Å; C316-D425 WeakPolarHBondContact O-CB 3.26Å; C316-D425 PolarHBondContact O-N 2.99Å; V317-D425 HydrophobicContact CG2-CB 3.55Å; I423-D425 PolarHBondContact O-N 2.87Å; D425-Q427 PolarHBondContact O-N 3.05Å; D425-Q427 WeakPolarHBondContact OD1-CA 3.25Å; D425-Q427 WeakPolarHBondContact OD1-CB 3.39Å; D425-Q427 PolarHBondContact OD1-N 3.07Å; D425-W428 HydrophobicContact CB-CB 4.37Å; D425-W428 VanDerWaalsContact O-CB 3.28Å; D425-W428 WeakPolarHBondContact O-CB 3.49Å; D425-W428 PolarHBondContact O-N 3.06Å
426	P	98.3	Very high	97.9	Very high	102 Å²	102	40.5 Å²	40.5	66%	0.662	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.1	178.8	24.2	-34.8	0	0	0	113.9	E315	E315-P426 WeakPolarHBondContact OE1-CD 3.45Å
427	Q	98.3	Very high	97.9	Very high	81 Å²	81	41.8 Å²	41.8	38%	0.379	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	13.7	176.7	-61	-170	74.6	0	0	113.4	Y288 D425 E429 S430 V434	Y288-Q427 PolarHBondContact OH-NE2 3.47Å; Y288-Q427 VanDerWaalsContact OH-NE2 3.12Å; D425-Q427 PolarHBondContact O-N 3.05Å; D425-Q427 WeakPolarHBondContact OD1-CA 3.25Å; D425-Q427 WeakPolarHBondContact OD1-CB 3.39Å; D425-Q427 PolarHBondContact OD1-N 3.07Å; Q427-E429 PolarHBondContact O-N 3.3Å; Q427-S430 VanDerWaalsContact O-CB 3.29Å; Q427-S430 WeakPolarHBondContact O-CB 3.26Å; Q427-S430 PolarHBondContact O-N 3.39Å; Q427-V434 HydrophobicContact CB-CG1 3.82Å
428	W	98.5	Very high	97.9	Very high	32 Å²	32	40.3 Å²	40.3	12%	0.121	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-177.2	79.2	-74.3	0	0	0	114.1	N339 A418 I424 D425	N339-W428 WeakPolarHBondContact OD1-CH2 3.31Å; A418-W428 HydrophobicContact CB-CE3 4.25Å; A418-W428 HydrophobicContact CB-CH2 4.1Å; A418-W428 HydrophobicContact CB-CZ3 3.76Å; I424-W428 HydrophobicContact CD1-CB 4.06Å; I424-W428 HydrophobicContact CD1-CD2 3.83Å; I424-W428 HydrophobicContact CD1-CE3 4.19Å; I424-W428 HydrophobicContact CD1-CG 3.8Å; I424-W428 HydrophobicContact CG1-CB 3.93Å; I424-W428 VanDerWaalsContact CG1-CD1 3.44Å; I424-W428 HydrophobicContact CG1-CD2 3.68Å; I424-W428 HydrophobicContact CG1-CG 3.38Å; D425-W428 HydrophobicContact CB-CB 4.37Å; D425-W428 VanDerWaalsContact O-CB 3.28Å; D425-W428 WeakPolarHBondContact O-CB 3.49Å; D425-W428 PolarHBondContact O-N 3.06Å
429	E	97.4	Very high	97.9	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.379	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	17.4	171.8	-52.1	-157.8	89.5	0	0	113.7	P156 R183 Q427 E431	P156-E429 HydrophobicContact CG-CB 4.07Å; P156-E429 VanDerWaalsContact CG-O 3.26Å; P156-E429 WeakPolarHBondContact CG-O 3.39Å; R183-E429 IonicContact CZ-OE1 3.47Å; R183-E429 IonicContact NE-OE1 3.56Å; R183-E429 PolarHBondContact NE-OE1 3.45Å; R183-E429 IonicContact NH2-OE1 3.8Å; R183-E429 PolarHBondContact NH2-OE1 3.47Å; Q427-E429 PolarHBondContact O-N 3.3Å; E429-E431 PolarHBondContact O-N 2.89Å
430	S	96.6	Very high	97.9	Very high	31 Å²	31	37.9 Å²	37.9	22%	0.217	20%	0.201	C	C	.	.			trans	-60.3	128.6	176	177.5	0	0	0	0	110.4	Q427 E432 G433	Q427-S430 VanDerWaalsContact O-CB 3.29Å; Q427-S430 WeakPolarHBondContact O-CB 3.26Å; Q427-S430 PolarHBondContact O-N 3.39Å; S430-E432 PolarHBondContact O-N 3.2Å; S430-E432 PolarHBondContact OG-N 3.4Å; S430-G433 PolarHBondContact O-N 3.2Å; S430-G433 VanDerWaalsContact O-N 3.14Å
431	E	94.2	Very high	98	Very high	109 Å²	109	36.8 Å²	36.8	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.7	178.9	-67.9	-174.9	-178.8	0	0	112.9	P156 S159 E429	P156-E431 HydrophobicContact CB-CG 4.49Å; S159-E431 WeakPolarHBondContact CB-O 3.28Å; S159-E431 PolarHBondContact OG-O 3.25Å; E429-E431 PolarHBondContact O-N 2.89Å
432	E	94.3	Very high	97.9	Very high	139 Å²	139	36.7 Å²	36.7	65%	0.65	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-21	178.1	-61.7	-174.7	175.3	0	0	112.9	R333 S430	R333-E432 WeakPolarHBondContact CB-O 3.48Å; S430-E432 PolarHBondContact O-N 3.2Å; S430-E432 PolarHBondContact OG-N 3.4Å
433	G	96.8	Very high	97.8	Very high	2 Å²	2	33 Å²	33	2%	0.021	17%	0.172	C	C	.	.			trans	71.5	170.2	-169.8	0	0	0	0	0	114.3	R333 A334 S430	R333-G433 PolarHBondContact NH1-O 3.02Å; A334-G433 CarbonylContact O-C 3.17Å; A334-G433 WeakPolarHBondContact O-CA 3.23Å; S430-G433 PolarHBondContact O-N 3.2Å; S430-G433 VanDerWaalsContact O-N 3.14Å
434	V	98.4	Very high	97.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.4	-175.8	-61.3	0	0	0	0	111.8	I276 Y288 V317 R333 A334 Q427 I436	I276-V434 HydrophobicContact CG2-CG2 3.69Å; Y288-V434 HydrophobicContact CD1-CB 3.64Å; Y288-V434 HydrophobicContact CD1-CG1 4Å; Y288-V434 HydrophobicContact CD1-CG2 3.6Å; Y288-V434 HydrophobicContact CD2-CB 3.89Å; Y288-V434 HydrophobicContact CE1-CB 3.7Å; Y288-V434 HydrophobicContact CE1-CG1 3.54Å; Y288-V434 HydrophobicContact CE1-CG2 4.05Å; Y288-V434 HydrophobicContact CE2-CB 3.97Å; Y288-V434 HydrophobicContact CE2-CG1 4.19Å; Y288-V434 HydrophobicContact CG-CB 3.72Å; Y288-V434 HydrophobicContact CG-CG1 4.48Å; Y288-V434 HydrophobicContact CG-CG2 3.85Å; V317-V434 HydrophobicContact CG1-CG2 4.48Å; V317-V434 HydrophobicContact CG2-CG1 4.28Å; V317-V434 HydrophobicContact CG2-CG2 4.32Å; R333-V434 CarbonylContact C-O 3.49Å; R333-V434 WeakPolarHBondContact CA-O 3.37Å; A334-V434 HydrophobicContact CB-CG2 4.47Å; A334-V434 PolarHBondContact N-O 3.45Å; A334-V434 PolarHBondContact O-N 2.83Å; Q427-V434 HydrophobicContact CB-CG1 3.82Å; V434-I436 HydrophobicContact CG2-CD1 4.3Å; V434-I436 PolarHBondContact O-N 2.88Å
435	P	98.3	Very high	97.5	Very high	33 Å²	33	34.6 Å²	34.6	21%	0.214	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.2	-176.6	30.9	-34.2	0	0	0	112.1	Y288 K331	Y288-P435 WeakPolarHBondContact CB-O 3.4Å; Y288-P435 HydrophobicContact CD2-CG 4.14Å; K331-P435 HydrophobicContact CD-CB 4.2Å; K331-P435 HydrophobicContact CG-CB 3.56Å
436	I	98.8	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.1	-178.7	-56	-55.6	0	0	0	111	I276 A290 M324 K331 L332 A334 V434 A438 I439 P518	I276-I436 HydrophobicContact CG2-CD1 4.1Å; A290-I436 HydrophobicContact CB-CD1 4.39Å; A290-I436 HydrophobicContact CB-CG2 4.27Å; M324-I436 HydrophobicContact SD-CG1 4.42Å; K331-I436 WeakPolarHBondContact CE-O 3.4Å; K331-I436 PolarHBondContact NZ-O 3.28Å; L332-I436 HydrophobicContact CB-CB 4.47Å; L332-I436 HydrophobicContact CD2-CB 4.35Å; L332-I436 HydrophobicContact CG-CB 4.5Å; L332-I436 PolarHBondContact O-N 3.23Å; A334-I436 HydrophobicContact CB-CD1 3.66Å; A334-I436 HydrophobicContact CB-CG1 3.63Å; V434-I436 HydrophobicContact CG2-CD1 4.3Å; V434-I436 PolarHBondContact O-N 2.88Å; I436-A438 VanDerWaalsContact CG2-O 3.26Å; I436-A438 WeakPolarHBondContact CG2-O 3.48Å; I436-I439 HydrophobicContact CG2-CG1 4.18Å; I436-P518 HydrophobicContact CG2-CB 4.03Å; I436-P518 HydrophobicContact CG2-CG 4.35Å
437	D	98.7	Very high	97.2	Very high	28 Å²	28	36.9 Å²	36.9	15%	0.15	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-30.5	175.1	-76.6	-25.5	0	0	0	112.5	R287 Y288 K331 P518 K519 C554	R287-D437 HydrophobicContact CB-CB 4.39Å; R287-D437 VanDerWaalsContact CB-OD2 3.26Å; R287-D437 WeakPolarHBondContact CB-OD2 3.31Å; R287-D437 WeakPolarHBondContact CD-OD2 3.33Å; R287-D437 WeakPolarHBondContact CG-OD2 3.5Å; R287-D437 IonicContact CZ-OD2 3.23Å; R287-D437 IonicContact NH1-OD1 3.67Å; R287-D437 IonicContact NH1-OD2 2.97Å; R287-D437 PolarHBondContact NH1-OD2 2.8Å; Y288-D437 PolarHBondContact O-N 2.86Å; K331-D437 WeakPolarHBondContact CE-OD1 3.44Å; K331-D437 IonicContact NZ-OD1 3.97Å; K331-D437 PolarHBondContact NZ-OD1 2.79Å; D437-P518 VanDerWaalsContact C-CB 3.49Å; D437-P518 CarbonylContact O-C 3.55Å; D437-P518 VanDerWaalsContact O-CA 3.25Å; D437-P518 WeakPolarHBondContact O-CA 3.42Å; D437-P518 WeakPolarHBondContact O-CB 3.32Å; D437-K519 PolarHBondContact O-N 2.92Å; D437-C554 HydrophobicContact CB-CB 4.37Å
438	A	98.8	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.6	-179.3	0	0	0	0	0	112.8	V289 A290 I436 K519 F521 I550	V289-A438 WeakPolarHBondContact CA-O 3.48Å; V289-A438 HydrophobicContact CG1-CB 4.14Å; V289-A438 HydrophobicContact CG2-CB 4.15Å; A290-A438 PolarHBondContact N-O 2.88Å; I436-A438 VanDerWaalsContact CG2-O 3.26Å; I436-A438 WeakPolarHBondContact CG2-O 3.48Å; A438-K519 CarbonylContact C-O 3.59Å; A438-K519 VanDerWaalsContact CA-O 3.25Å; A438-K519 WeakPolarHBondContact CA-O 3.45Å; A438-F521 HydrophobicContact CB-CD2 4.06Å; A438-F521 HydrophobicContact CB-CE2 3.87Å; A438-I550 HydrophobicContact CB-CG2 3.85Å
439	I	98.9	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.8	166.6	-64.3	173.7	0	0	0	107.9	M274 A290 L332 I436 F441 W458 W505 P518 K519 I520 F521	M274-I439 HydrophobicContact CE-CG2 3.78Å; M274-I439 HydrophobicContact SD-CG2 4.22Å; A290-I439 HydrophobicContact CB-CG1 4.48Å; A290-I439 CarbonylContact O-C 3.55Å; A290-I439 VanDerWaalsContact O-CA 3.3Å; A290-I439 WeakPolarHBondContact O-CA 3.48Å; L332-I439 HydrophobicContact CD2-CD1 4.28Å; I436-I439 HydrophobicContact CG2-CG1 4.18Å; I439-F441 HydrophobicContact CG2-CE1 4.35Å; I439-F441 HydrophobicContact CG2-CE2 4.2Å; I439-F441 HydrophobicContact CG2-CZ 3.95Å; I439-W458 HydrophobicContact CD1-CH2 4.19Å; I439-W458 HydrophobicContact CD1-CZ3 4.32Å; I439-W505 HydrophobicContact CD1-CH2 4Å; I439-W505 HydrophobicContact CD1-CZ3 3.96Å; I439-P518 HydrophobicContact CD1-CG 3.57Å; I439-P518 HydrophobicContact CG1-CB 4.23Å; I439-P518 HydrophobicContact CG1-CG 3.8Å; I439-K519 PolarHBondContact N-O 3.44Å; I439-I520 HydrophobicContact CB-CG1 4.24Å; I439-I520 CarbonylContact O-C 3.53Å; I439-I520 WeakPolarHBondContact O-CA 3.35Å; I439-F521 PolarHBondContact O-N 3.27Å
440	I	98.9	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.2	-178.7	-52.5	178	0	0	0	109.9	V289 A290 A291 A292 F293 F521 V523 L547 I550	V289-I440 HydrophobicContact CG1-CD1 3.41Å; V289-I440 VanDerWaalsContact CG1-CD1 3.41Å; V289-I440 HydrophobicContact CG1-CG1 3.68Å; A290-I440 PolarHBondContact O-N 2.93Å; A291-I440 CarbonylContact C-O 3.54Å; A291-I440 WeakPolarHBondContact CA-O 2.95Å; A291-I440 HydrophobicContact CB-CB 3.8Å; A292-I440 PolarHBondContact N-O 3.47Å; F293-I440 HydrophobicContact CE1-CG2 4.05Å; F293-I440 HydrophobicContact CZ-CG2 4.2Å; I440-F521 WeakPolarHBondContact CA-O 3.46Å; I440-F521 HydrophobicContact CG1-CB 4.36Å; I440-V523 HydrophobicContact CG2-CB 4.25Å; I440-V523 HydrophobicContact CG2-CG1 3.68Å; I440-V523 HydrophobicContact CG2-CG2 3.65Å; I440-L547 HydrophobicContact CD1-CD2 3.78Å; I440-I550 HydrophobicContact CD1-CD1 3.47Å; I440-I550 VanDerWaalsContact CD1-CD1 3.47Å; I440-I550 HydrophobicContact CG1-CD1 4.03Å
441	F	98.9	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	156.7	166.2	-63.5	-62	0	0	0	110.9	M274 A292 I439 V464 M468 F488 I520 F521 H522 V523	M274-F441 HydrophobicContact CE-CE1 3.86Å; M274-F441 HydrophobicContact CE-CZ 4.31Å; A292-F441 HydrophobicContact CB-CD1 3.82Å; A292-F441 HydrophobicContact CB-CE1 3.98Å; I439-F441 HydrophobicContact CG2-CE1 4.35Å; I439-F441 HydrophobicContact CG2-CE2 4.2Å; I439-F441 HydrophobicContact CG2-CZ 3.95Å; F441-V464 HydrophobicContact CD2-CG1 4.27Å; F441-M468 HydrophobicContact CB-SD 3.93Å; F441-M468 HydrophobicContact CD1-SD 4.49Å; F441-F488 HydrophobicContact CE1-CB 4.35Å; F441-F488 AromaticContact CE1-CD1 3.47Å; F441-F488 HydrophobicContact CE1-CD1 3.47Å; F441-F488 VanDerWaalsContact CE1-CD1 3.47Å; F441-F488 AromaticContact CE1-CE1 3.92Å; F441-F488 HydrophobicContact CE1-CE1 3.92Å; F441-F488 AromaticContact CE1-CG 4Å; F441-F488 HydrophobicContact CE1-CG 4Å; F441-F488 HydrophobicContact CE2-CE1 4.31Å; F441-F488 AromaticContact CZ-CD1 3.48Å; F441-F488 HydrophobicContact CZ-CD1 3.48Å; F441-F488 VanDerWaalsContact CZ-CD1 3.48Å; F441-F488 AromaticContact CZ-CE1 3.4Å; F441-F488 HydrophobicContact CZ-CE1 3.4Å; F441-F488 VanDerWaalsContact CZ-CE1 3.4Å; F441-F488 HydrophobicContact CZ-CG 4.3Å; F441-F488 HydrophobicContact CZ-CZ 4.18Å; F441-I520 HydrophobicContact CD2-CG2 3.73Å; F441-I520 HydrophobicContact CE2-CG2 3.63Å; F441-F521 PolarHBondContact N-O 3.05Å; F441-H522 CarbonylContact O-C 3.59Å; F441-H522 WeakPolarHBondContact O-CA 3.43Å; F441-V523 PolarHBondContact O-N 3.24Å
442	G	97.8	Very high	97.4	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	158.3	175.1	0	0	0	0	0	113.8	A292 F293 P294 M468 V523	A292-G442 PolarHBondContact O-N 2.85Å; F293-G442 WeakPolarHBondContact CA-O 3.27Å; F293-G442 WeakPolarHBondContact CD1-O 3.08Å; P294-G442 WeakPolarHBondContact CD-O 3.27Å; G442-M468 PolarHBondContact N-SD 2.68Å; G442-V523 VanDerWaalsContact CA-O 3.27Å; G442-V523 WeakPolarHBondContact CA-O 3.43Å
443	G	95.1	Very high	97.6	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.021	8%	0.077	C	C	.	.			trans	-159.6	172.4	-177.4	0	0	0	0	0	111.8	R445 N524	G443-R445 PolarHBondContact O-N 3.43Å; G443-N524 PolarHBondContact O-OD1 2.59Å
444	R	94.9	Very high	97.7	Very high	67 Å²	67	15.3 Å²	15.3	25%	0.253	8%	0.076	S	C	.	.			trans	-77.5	102.4	177.4	-68.7	170.1	176.6	-93.6	0.9	109.7	A296 C297 S470 E471 F526	A296-R444 PolarHBondContact O-NE 3.35Å; A296-R444 VanDerWaalsContact O-NE 3.14Å; A296-R444 PolarHBondContact O-NH2 2.97Å; C297-R444 HydrophobicContact CB-CG 4.48Å; R444-S470 PolarHBondContact N-OG 2.79Å; R444-E471 HydrophobicContact CB-CB 3.95Å; R444-E471 HydrophobicContact CB-CG 4.29Å; R444-E471 PolarHBondContact O-N 2.82Å; R444-F526 HydrophobicContact CB-CB 4.33Å; R444-F526 HydrophobicContact CB-CD2 4.12Å; R444-F526 HydrophobicContact CB-CG 4.16Å; R444-F526 HydrophobicContact CG-CB 4.39Å; R444-F526 HydrophobicContact CG-CD1 3.96Å; R444-F526 HydrophobicContact CG-CD2 3.6Å; R444-F526 HydrophobicContact CG-CE1 4.08Å; R444-F526 HydrophobicContact CG-CE2 3.71Å; R444-F526 HydrophobicContact CG-CG 3.71Å; R444-F526 HydrophobicContact CG-CZ 3.95Å
445	R	96.3	Very high	97.7	Very high	16 Å²	16	15.5 Å²	15.5	6%	0.06	8%	0.078	C	C	.	.			trans	-123.1	107.1	176.3	-62.1	-62.7	-59.6	-99.7	11.8	109.9	G443 E447 V449 R469 N524 F526 R527 F598 E602	G443-R445 PolarHBondContact O-N 3.43Å; R445-E447 PolarHBondContact O-N 3.12Å; R445-V449 HydrophobicContact CB-CB 4.03Å; R445-V449 HydrophobicContact CB-CG2 4.05Å; R445-V449 HydrophobicContact CG-CB 4.27Å; R445-V449 HydrophobicContact CG-CG2 3.95Å; R445-R469 WeakPolarHBondContact CD-O 3.45Å; R445-N524 PolarHBondContact N-OD1 2.88Å; R445-N524 PolarHBondContact O-ND2 2.75Å; R445-N524 PolarHBondContact O-OD1 2.8Å; R445-F526 CarbonylContact O-C 3.41Å; R445-R527 WeakPolarHBondContact O-CA 3.33Å; R445-R527 PolarHBondContact O-N 3.28Å; R445-F598 VanDerWaalsContact NH2-CZ 3.29Å; R445-E602 IonicContact CZ-OE1 3.5Å; R445-E602 IonicContact CZ-OE2 2.63Å; R445-E602 IonicContact NH1-OE1 3.83Å; R445-E602 PolarHBondContact NH1-OE1 2.86Å; R445-E602 IonicContact NH1-OE2 2.8Å; R445-E602 VanDerWaalsContact NH2-CD 3.34Å; R445-E602 IonicContact NH2-OE1 3.61Å; R445-E602 PolarHBondContact NH2-OE1 2.97Å; R445-E602 IonicContact NH2-OE2 3.41Å; R445-E602 PolarHBondContact NH2-OE2 3.35Å
446	P	95.1	Very high	97.7	Very high	35 Å²	35	16 Å²	16	23%	0.227	8%	0.077	C	C	.	.	S	Bend	trans	-69.8	-21.1	-177.3	27.6	-34.8	0	0	0	113.3	E471 K528	P446-E471 WeakPolarHBondContact CG-OE1 3.44Å; P446-K528 HydrophobicContact CB-CD 4.18Å; P446-K528 HydrophobicContact CB-CG 4.47Å; P446-K528 PolarHBondContact O-N 2.98Å
447	E	95.5	Very high	97.6	Very high	115 Å²	115	19.9 Å²	19.9	54%	0.537	10%	0.097	S	C	.	.	S	Bend	trans	-141.3	157.4	-175.7	55	171.1	-161.4	0	0	112.5	R445 V449 F598	R445-E447 PolarHBondContact O-N 3.12Å; E447-V449 PolarHBondContact O-N 2.7Å; E447-F598 HydrophobicContact CG-CD2 4.33Å; E447-F598 HydrophobicContact CG-CE2 3.84Å; E447-F598 VanDerWaalsContact O-CZ 3.31Å; E447-F598 WeakPolarHBondContact O-CZ 3.27Å
448	G	95.4	Very high	97.6	Very high	3 Å²	3	19.1 Å²	19.1	3%	0.031	9%	0.092	C	C	.	.	S	Bend	trans	71.8	-28.7	164.1	0	0	0	0	0	118.5	W599	G448-W599 PolarHBondContact O-NE1 3.46Å
449	V	97.9	Very high	97.6	Very high	2 Å²	2	21 Å²	21	1%	0.012	10%	0.101	C	C	.	.	S	Bend	trans	-91.3	125.2	177.2	-177.3	0	0	0	0	109.9	R445 E447 Y453 N524 F598 W599	R445-V449 HydrophobicContact CB-CB 4.03Å; R445-V449 HydrophobicContact CB-CG2 4.05Å; R445-V449 HydrophobicContact CG-CB 4.27Å; R445-V449 HydrophobicContact CG-CG2 3.95Å; E447-V449 PolarHBondContact O-N 2.7Å; V449-Y453 HydrophobicContact CG1-CE1 4.37Å; V449-N524 HydrophobicContact CB-CB 4.45Å; V449-N524 HydrophobicContact CG1-CB 4.05Å; V449-N524 PolarHBondContact O-ND2 2.94Å; V449-F598 HydrophobicContact CG2-CE1 4.08Å; V449-F598 HydrophobicContact CG2-CZ 4.1Å; V449-W599 HydrophobicContact CG2-CZ2 4.34Å
450	P	98.3	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.			trans	-75.1	168.2	-174	32.9	-37.8	0	0	0	112.9	V452 Y453 N524 I568 L571 L591 F592	P450-V452 VanDerWaalsContact C-N 3.32Å; P450-V452 PolarHBondContact O-N 2.82Å; P450-Y453 HydrophobicContact CG-CD1 3.95Å; P450-N524 WeakPolarHBondContact O-CB 3.41Å; P450-I568 HydrophobicContact CG-CD1 3.72Å; P450-L571 HydrophobicContact CB-CD2 4.27Å; P450-L571 HydrophobicContact CG-CD2 3.86Å; P450-L591 CarbonylContact C-O 3.31Å; P450-L591 WeakPolarHBondContact CA-O 3.27Å; P450-L591 WeakPolarHBondContact CB-O 3.29Å; P450-F592 HydrophobicContact CB-CD1 4.19Å
451	L	98.6	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-54.1	-44.9	-178	178.2	60.4	0	0	0	113.2	V523 N524 W525 W537 V546 L591 F592	L451-V523 CarbonylContact O-C 3.57Å; L451-V523 VanDerWaalsContact O-CA 3.23Å; L451-V523 WeakPolarHBondContact O-CA 3.25Å; L451-N524 PolarHBondContact O-N 3.03Å; L451-W525 HydrophobicContact CD1-CE3 3.67Å; L451-W525 HydrophobicContact CD1-CZ3 3.79Å; L451-W537 HydrophobicContact CD1-CB 4.13Å; L451-W537 HydrophobicContact CD1-CD2 3.89Å; L451-W537 HydrophobicContact CD1-CG 3.67Å; L451-W537 HydrophobicContact CD2-CD2 3.82Å; L451-W537 HydrophobicContact CD2-CE3 3.7Å; L451-W537 HydrophobicContact CD2-CG 4.44Å; L451-W537 HydrophobicContact CD2-CH2 4.2Å; L451-W537 HydrophobicContact CD2-CZ2 4.29Å; L451-W537 HydrophobicContact CD2-CZ3 3.91Å; L451-V546 HydrophobicContact CD1-CG2 4.3Å; L451-V546 HydrophobicContact CD2-CG2 3.73Å; L451-V546 HydrophobicContact CG-CG2 3.88Å; L451-L591 HydrophobicContact CB-CB 4.35Å; L451-L591 HydrophobicContact CB-CD2 4.26Å; L451-L591 HydrophobicContact CD2-CD1 4.33Å; L451-L591 PolarHBondContact N-O 3.4Å; L451-L591 VanDerWaalsContact N-O 3.08Å; L451-F592 HydrophobicContact CB-CE1 3.93Å; L451-F592 HydrophobicContact CB-CE2 4.44Å; L451-F592 HydrophobicContact CB-CZ 3.84Å; L451-F592 HydrophobicContact CD2-CE2 4.32Å; L451-F592 HydrophobicContact CD2-CZ 3.96Å; L451-F592 HydrophobicContact CG-CZ 4.28Å
452	V	98.9	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.7	174.9	62.8	0	0	0	0	110.8	P450 H522 V523 V546 W549 I550 P572 I577 F592	P450-V452 VanDerWaalsContact C-N 3.32Å; P450-V452 PolarHBondContact O-N 2.82Å; V452-H522 CarbonylContact C-O 3.52Å; V452-H522 VanDerWaalsContact CA-O 3.29Å; V452-H522 WeakPolarHBondContact CA-O 3.49Å; V452-V523 HydrophobicContact CB-CG1 4.12Å; V452-V523 HydrophobicContact CG2-CG1 3.82Å; V452-V546 HydrophobicContact CB-CG1 3.68Å; V452-V546 HydrophobicContact CG1-CG1 3.92Å; V452-V546 HydrophobicContact CG2-CG1 3.85Å; V452-W549 HydrophobicContact CG1-CE3 3.96Å; V452-W549 HydrophobicContact CG1-CZ3 4.08Å; V452-W549 HydrophobicContact CG2-CE3 3.95Å; V452-W549 HydrophobicContact CG2-CZ3 3.65Å; V452-I550 HydrophobicContact CG2-CD1 4.29Å; V452-I550 HydrophobicContact CG2-CG1 4.42Å; V452-P572 HydrophobicContact CG1-CG 3.65Å; V452-I577 HydrophobicContact CG1-CD1 4.47Å; V452-F592 HydrophobicContact CG1-CE1 3.78Å; V452-F592 HydrophobicContact CG1-CZ 4.07Å
453	Y	98.8	Very high	97.7	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.055	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.6	163.5	66	-86.4	0	0	0	111	V449 P450 V464 F521 H522 I568 W570	V449-Y453 HydrophobicContact CG1-CE1 4.37Å; P450-Y453 HydrophobicContact CG-CD1 3.95Å; Y453-V464 HydrophobicContact CE2-CG1 4.21Å; Y453-V464 HydrophobicContact CE2-CG2 3.94Å; Y453-V464 WeakPolarHBondContact OH-CG1 3.32Å; Y453-F521 CarbonylContact O-C 3.52Å; Y453-F521 VanDerWaalsContact O-CA 3.3Å; Y453-F521 WeakPolarHBondContact O-CA 3.49Å; Y453-H522 HydrophobicContact CD1-CB 3.99Å; Y453-H522 HydrophobicContact CD2-CB 4.44Å; Y453-H522 HydrophobicContact CE1-CB 3.41Å; Y453-H522 VanDerWaalsContact CE1-CB 3.41Å; Y453-H522 AromaticContact CE1-CG 3.46Å; Y453-H522 VanDerWaalsContact CE1-CG 3.46Å; Y453-H522 AromaticContact CE1-ND1 3.42Å; Y453-H522 WeakPolarHBondContact CE1-ND1 3.23Å; Y453-H522 HydrophobicContact CE2-CB 3.9Å; Y453-H522 HydrophobicContact CG-CB 4.48Å; Y453-H522 AromaticContact CZ-CG 3.6Å; Y453-H522 PolarHBondContact N-O 3.19Å; Y453-H522 PolarHBondContact O-N 3.14Å; Y453-H522 WeakPolarHBondContact OH-CB 3.21Å; Y453-I568 HydrophobicContact CD1-CD1 4.09Å; Y453-I568 WeakPolarHBondContact CD2-O 3.44Å; Y453-I568 HydrophobicContact CE1-CD1 4.36Å; Y453-I568 WeakPolarHBondContact CE2-O 3.46Å; Y453-I568 HydrophobicContact CG-CD1 4.23Å; Y453-W570 CarbonylContact C-O 3.57Å; Y453-W570 VanDerWaalsContact CA-O 3.25Å; Y453-W570 WeakPolarHBondContact CA-O 3.33Å
454	E	98.9	Very high	97.8	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.014	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.3	172.8	-168	-171.9	170.8	0	0	110.4	F521 W549 R553 R556 G569 W570	E454-F521 HydrophobicContact CB-CD1 3.6Å; E454-F521 HydrophobicContact CB-CE1 3.56Å; E454-F521 HydrophobicContact CB-CZ 4.48Å; E454-F521 HydrophobicContact CG-CD1 3.73Å; E454-F521 HydrophobicContact CG-CE1 3.44Å; E454-F521 VanDerWaalsContact CG-CE1 3.44Å; E454-F521 HydrophobicContact CG-CG 4.44Å; E454-F521 HydrophobicContact CG-CZ 3.9Å; E454-W549 HydrophobicContact CB-CH2 4.1Å; E454-R553 IonicContact OE2-CZ 3.96Å; E454-R553 IonicContact OE2-NE 3.39Å; E454-R553 PolarHBondContact OE2-NE 3Å; E454-R553 IonicContact OE2-NH2 3.88Å; E454-R553 PolarHBondContact OE2-NH2 3.39Å; E454-R556 VanDerWaalsContact CD-NH1 3.29Å; E454-R556 IonicContact OE1-CZ 3.96Å; E454-R556 IonicContact OE1-NH1 2.73Å; E454-R556 PolarHBondContact OE1-NH1 3.28Å; E454-R556 IonicContact OE1-NH2 3.68Å; E454-R556 PolarHBondContact OE1-NH2 2.96Å; E454-R556 IonicContact OE2-CZ 3.39Å; E454-R556 IonicContact OE2-NH1 3.14Å; E454-R556 PolarHBondContact OE2-NH1 2.84Å; E454-R556 IonicContact OE2-NH2 3.31Å; E454-G569 CarbonylContact O-C 3.54Å; E454-G569 WeakPolarHBondContact O-CA 3.48Å; E454-W570 HydrophobicContact CB-CB 4.1Å; E454-W570 PolarHBondContact N-O 3.42Å; E454-W570 PolarHBondContact O-N 3.41Å
455	S	98.7	Very high	98	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.035	9%	0.09	C	C	.	.			trans	-65.1	154.6	171	64.3	0	0	0	0	112.2	N457 H460 I520	S455-N457 PolarHBondContact OG-O 2.84Å; S455-H460 WeakPolarHBondContact CA-ND1 3.31Å; S455-H460 WeakPolarHBondContact CB-ND1 3.43Å; S455-I520 WeakPolarHBondContact CB-O 3.37Å; S455-I520 PolarHBondContact N-O 3.03Å; S455-I520 WeakPolarHBondContact OG-CB 3.43Å; S455-I520 PolarHBondContact OG-O 2.83Å
456	F	98.3	Very high	98.1	Very high	44 Å²	44	17.4 Å²	17.4	19%	0.193	9%	0.087	C	C	.	.	S	Bend	trans	-69.7	-33.4	178.7	-60.3	-57.2	0	0	0	113.8	H460 K565 S566 G569 W570	F456-H460 HydrophobicContact CB-CB 4.37Å; F456-H460 AromaticContact CD2-CD2 3.98Å; F456-H460 AromaticContact CD2-CE1 3.7Å; F456-H460 AromaticContact CD2-CG 3.8Å; F456-H460 AromaticContact CD2-ND1 3.63Å; F456-H460 AromaticContact CD2-NE2 3.9Å; F456-H460 AromaticContact CE2-CE1 3.93Å; F456-H460 AromaticContact CE2-NE2 4Å; F456-H460 PolarHBondContact N-ND1 2.82Å; F456-H460 VanDerWaalsContact N-ND1 3.18Å; F456-K565 HydrophobicContact CE1-CG 3.93Å; F456-S566 WeakPolarHBondContact CZ-O 3.5Å; F456-G569 VanDerWaalsContact CE1-CA 3.45Å; F456-G569 VanDerWaalsContact CZ-N 3.27Å; F456-W570 AromaticContact CD1-CD1 3.98Å; F456-W570 AromaticContact CD1-NE1 3.7Å
457	N	97.8	Very high	98.3	Very high	81 Å²	81	16.5 Å²	16.5	43%	0.433	8%	0.082	S	C	.	.	S	Bend	trans	-165.2	-179.7	-177.9	58.9	50.5	0	0	0	109	S455 Q459 H460 G461	S455-N457 PolarHBondContact OG-O 2.84Å; N457-Q459 PolarHBondContact OD1-N 2.81Å; N457-Q459 VanDerWaalsContact OD1-N 3.12Å; N457-H460 PolarHBondContact O-N 3.38Å; N457-H460 PolarHBondContact OD1-N 3.4Å; N457-G461 PolarHBondContact O-N 3.2Å
458	W	98.5	Very high	98.4	Very high	12 Å²	12	11 Å²	11	5%	0.045	6%	0.057	C	C	.	.	H	α-helix	trans	-59.7	-47.7	-179	-176	-97.1	0	0	0	113.6	I439 H460 G461 V462 W505 M508 Q509 L517 P518 I520	I439-W458 HydrophobicContact CD1-CH2 4.19Å; I439-W458 HydrophobicContact CD1-CZ3 4.32Å; W458-H460 PolarHBondContact O-N 2.93Å; W458-G461 CarbonylContact O-C 3.44Å; W458-G461 WeakPolarHBondContact O-CA 3.38Å; W458-G461 PolarHBondContact O-N 2.85Å; W458-V462 WeakPolarHBondContact O-CG2 3.47Å; W458-V462 PolarHBondContact O-N 3.33Å; W458-W505 HydrophobicContact CH2-CE3 4.02Å; W458-W505 AromaticContact CH2-CZ3 3.77Å; W458-W505 HydrophobicContact CH2-CZ3 3.77Å; W458-W505 AromaticContact CZ2-CE3 3.64Å; W458-W505 HydrophobicContact CZ2-CE3 3.64Å; W458-W505 AromaticContact CZ2-CZ3 3.9Å; W458-W505 HydrophobicContact CZ2-CZ3 3.9Å; W458-W505 PolarHBondContact NE1-O 3.06Å; W458-M508 HydrophobicContact CZ2-CB 3.85Å; W458-M508 HydrophobicContact CZ2-CG 4.38Å; W458-Q509 HydrophobicContact CB-CB 4.46Å; W458-Q509 HydrophobicContact CG-CB 4.15Å; W458-L517 HydrophobicContact CB-CD1 3.71Å; W458-L517 HydrophobicContact CD2-CD1 4.01Å; W458-L517 HydrophobicContact CD2-CD2 3.95Å; W458-L517 HydrophobicContact CD2-CG 4.37Å; W458-L517 HydrophobicContact CE3-CB 3.86Å; W458-L517 HydrophobicContact CE3-CD1 4.19Å; W458-L517 HydrophobicContact CE3-CD2 3.91Å; W458-L517 HydrophobicContact CE3-CG 4.2Å; W458-L517 HydrophobicContact CG-CD1 3.82Å; W458-L517 HydrophobicContact CH2-CD2 4.35Å; W458-L517 HydrophobicContact CZ2-CD2 4.39Å; W458-L517 HydrophobicContact CZ3-CB 4.28Å; W458-L517 HydrophobicContact CZ3-CD2 4.12Å; W458-P518 HydrophobicContact CH2-CG 4.47Å; W458-P518 HydrophobicContact CZ3-CG 3.89Å; W458-I520 HydrophobicContact CD2-CD1 4.09Å; W458-I520 HydrophobicContact CE3-CD1 3.55Å; W458-I520 HydrophobicContact CE3-CG1 4.23Å; W458-I520 HydrophobicContact CH2-CD1 4.41Å; W458-I520 HydrophobicContact CZ3-CD1 3.72Å; W458-I520 HydrophobicContact CZ3-CG1 4.19Å
459	Q	98.7	Very high	98.4	Very high	40 Å²	40	12.2 Å²	12.2	19%	0.187	6%	0.061	C	C	.	.	H	α-helix	trans	-58	-47.4	178.7	-178.1	178.2	-67.2	0	0	111.7	N457 G461 V462 F463 L506 Q621 E625	N457-Q459 PolarHBondContact OD1-N 2.81Å; N457-Q459 VanDerWaalsContact OD1-N 3.12Å; Q459-G461 VanDerWaalsContact C-N 3.3Å; Q459-G461 PolarHBondContact O-N 3.38Å; Q459-V462 PolarHBondContact O-N 3.38Å; Q459-F463 PolarHBondContact O-N 2.84Å; Q459-L506 HydrophobicContact CB-CD2 4.3Å; Q459-L506 HydrophobicContact CG-CD2 3.94Å; Q459-Q621 HydrophobicContact CG-CB 4Å; Q459-E625 HydrophobicContact CG-CG 3.89Å; Q459-E625 PolarHBondContact NE2-OE1 2.51Å
460	H	98.9	Very high	98.2	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-62.2	-38	173.7	-177.7	-109.1	0	0	0	111.7	S455 F456 N457 W458 F463 V464 I568 E625	S455-H460 WeakPolarHBondContact CA-ND1 3.31Å; S455-H460 WeakPolarHBondContact CB-ND1 3.43Å; F456-H460 HydrophobicContact CB-CB 4.37Å; F456-H460 AromaticContact CD2-CD2 3.98Å; F456-H460 AromaticContact CD2-CE1 3.7Å; F456-H460 AromaticContact CD2-CG 3.8Å; F456-H460 AromaticContact CD2-ND1 3.63Å; F456-H460 AromaticContact CD2-NE2 3.9Å; F456-H460 AromaticContact CE2-CE1 3.93Å; F456-H460 AromaticContact CE2-NE2 4Å; F456-H460 PolarHBondContact N-ND1 2.82Å; F456-H460 VanDerWaalsContact N-ND1 3.18Å; N457-H460 PolarHBondContact O-N 3.38Å; N457-H460 PolarHBondContact OD1-N 3.4Å; W458-H460 PolarHBondContact O-N 2.93Å; H460-F463 WeakPolarHBondContact O-CB 3.36Å; H460-F463 PolarHBondContact O-N 2.87Å; H460-V464 VanDerWaalsContact O-CG2 3.3Å; H460-V464 WeakPolarHBondContact O-CG2 3.42Å; H460-V464 PolarHBondContact O-N 3.28Å; H460-I568 PolarHBondContact CE1-O 2.97Å; H460-I568 VanDerWaalsContact CE1-O 3.27Å; H460-E625 IonicContact CD2-OE2 2.76Å; H460-E625 PolarHBondContact CD2-OE2 3.14Å; H460-E625 VanDerWaalsContact CD2-OE2 3.29Å; H460-E625 IonicContact CG-OE2 3.06Å
461	G	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-38.4	174.5	0	0	0	0	0	113.6	N457 W458 Q459 V464 G465	N457-G461 PolarHBondContact O-N 3.2Å; W458-G461 CarbonylContact O-C 3.44Å; W458-G461 WeakPolarHBondContact O-CA 3.38Å; W458-G461 PolarHBondContact O-N 2.85Å; Q459-G461 VanDerWaalsContact C-N 3.3Å; Q459-G461 PolarHBondContact O-N 3.38Å; G461-V464 PolarHBondContact O-N 3.22Å; G461-G465 PolarHBondContact O-N 3.09Å
462	V	98.9	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64	-42.9	172.4	173.1	0	0	0	0	110.5	W458 Q459 G465 A466 F488 L502 W505 L506	W458-V462 WeakPolarHBondContact O-CG2 3.47Å; W458-V462 PolarHBondContact O-N 3.33Å; Q459-V462 PolarHBondContact O-N 3.38Å; V462-G465 PolarHBondContact O-N 2.64Å; V462-A466 WeakPolarHBondContact O-CB 3.36Å; V462-A466 PolarHBondContact O-N 2.71Å; V462-F488 HydrophobicContact CB-CZ 4.48Å; V462-F488 HydrophobicContact CG1-CZ 4.06Å; V462-F488 WeakPolarHBondContact O-CE2 3.34Å; V462-F488 WeakPolarHBondContact O-CZ 3.14Å; V462-L502 HydrophobicContact CG1-CD2 4.07Å; V462-W505 HydrophobicContact CG1-CB 4.18Å; V462-W505 HydrophobicContact CG2-CB 4.04Å; V462-W505 HydrophobicContact CG2-CE3 4.35Å; V462-L506 HydrophobicContact CB-CD2 4.06Å; V462-L506 HydrophobicContact CG1-CD2 4.07Å; V462-L506 HydrophobicContact CG1-CG 4.06Å; V462-L506 HydrophobicContact CG2-CD2 4.19Å
463	F	98.9	Very high	96.3	Very high	5 Å²	5	16.1 Å²	16.1	2%	0.022	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-44	172.8	166.2	-99.6	0	0	0	112.2	Q459 H460 G465 A466 A467 L606 F610 V622 E625 L626 L629	Q459-F463 PolarHBondContact O-N 2.84Å; H460-F463 WeakPolarHBondContact O-CB 3.36Å; H460-F463 PolarHBondContact O-N 2.87Å; F463-G465 VanDerWaalsContact C-N 3.33Å; F463-G465 PolarHBondContact O-N 3.01Å; F463-A466 CarbonylContact O-C 3.5Å; F463-A466 WeakPolarHBondContact O-CB 3.22Å; F463-A466 PolarHBondContact O-N 3.3Å; F463-A466 VanDerWaalsContact O-N 3.1Å; F463-A467 HydrophobicContact CZ-CB 4.37Å; F463-A467 VanDerWaalsContact O-CB 3.28Å; F463-A467 WeakPolarHBondContact O-CB 3.41Å; F463-A467 PolarHBondContact O-N 2.86Å; F463-L606 HydrophobicContact CZ-CD1 4.19Å; F463-F610 HydrophobicContact CD2-CE2 4.48Å; F463-F610 HydrophobicContact CE2-CE2 4.04Å; F463-V622 HydrophobicContact CD2-CG1 3.99Å; F463-E625 HydrophobicContact CB-CB 3.53Å; F463-E625 HydrophobicContact CB-CG 3.89Å; F463-E625 HydrophobicContact CD1-CB 3.97Å; F463-E625 HydrophobicContact CD2-CB 3.86Å; F463-E625 HydrophobicContact CG-CB 3.5Å; F463-E625 VanDerWaalsContact CG-CB 3.5Å; F463-E625 HydrophobicContact CG-CG 4.38Å; F463-L626 HydrophobicContact CE2-CB 3.78Å; F463-L626 HydrophobicContact CE2-CD1 4.16Å; F463-L626 HydrophobicContact CZ-CB 4.39Å; F463-L626 HydrophobicContact CZ-CD1 4.23Å; F463-L629 HydrophobicContact CE1-CB 4.48Å; F463-L629 HydrophobicContact CE1-CD2 3.93Å; F463-L629 HydrophobicContact CZ-CD2 3.93Å
464	V	98.8	Very high	95.3	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.6	166.1	0	0	0	0	111.4	F441 Y453 H460 G461 A467 M468 H522	F441-V464 HydrophobicContact CD2-CG1 4.27Å; Y453-V464 HydrophobicContact CE2-CG1 4.21Å; Y453-V464 HydrophobicContact CE2-CG2 3.94Å; Y453-V464 WeakPolarHBondContact OH-CG1 3.32Å; H460-V464 VanDerWaalsContact O-CG2 3.3Å; H460-V464 WeakPolarHBondContact O-CG2 3.42Å; H460-V464 PolarHBondContact O-N 3.28Å; G461-V464 PolarHBondContact O-N 3.22Å; V464-A467 PolarHBondContact O-N 3.07Å; V464-M468 PolarHBondContact O-N 3.29Å; V464-H522 HydrophobicContact CG1-CB 3.71Å
465	G	98.7	Very high	94	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-41.6	173.4	0	0	0	0	0	112.5	G461 V462 F463 A467 M468 P487 F488	G461-G465 PolarHBondContact O-N 3.09Å; V462-G465 PolarHBondContact O-N 2.64Å; F463-G465 VanDerWaalsContact C-N 3.33Å; F463-G465 PolarHBondContact O-N 3.01Å; G465-A467 VanDerWaalsContact C-N 3.34Å; G465-A467 PolarHBondContact O-N 2.78Å; G465-M468 WeakPolarHBondContact O-CB 3.14Å; G465-M468 PolarHBondContact O-N 2.98Å; G465-P487 CarbonylContact O-C 3.44Å; G465-P487 VanDerWaalsContact O-CA 3.31Å; G465-P487 WeakPolarHBondContact O-CA 3.43Å; G465-F488 WeakPolarHBondContact O-CD2 3.37Å; G465-F488 PolarHBondContact O-N 2.68Å
466	A	98.8	Very high	93	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-31.6	179.5	0	0	0	0	0	112.8	V462 F463 M468 F488 F498 L502 F610	V462-A466 WeakPolarHBondContact O-CB 3.36Å; V462-A466 PolarHBondContact O-N 2.71Å; F463-A466 CarbonylContact O-C 3.5Å; F463-A466 WeakPolarHBondContact O-CB 3.22Å; F463-A466 PolarHBondContact O-N 3.3Å; F463-A466 VanDerWaalsContact O-N 3.1Å; A466-M468 VanDerWaalsContact C-N 3.27Å; A466-M468 PolarHBondContact O-N 2.92Å; A466-F488 HydrophobicContact CB-CE2 4.16Å; A466-F498 HydrophobicContact CB-CZ 4.17Å; A466-L502 HydrophobicContact CB-CD1 4.37Å; A466-L502 HydrophobicContact CB-CD2 3.65Å; A466-F610 HydrophobicContact CB-CE1 4.04Å; A466-F610 HydrophobicContact CB-CZ 3.87Å
467	A	98.3	Very high	92.1	Very high	15 Å²	15	19.9 Å²	19.9	12%	0.124	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.8	-179.6	0	0	0	0	0	113.5	F463 V464 G465 R469 L606	F463-A467 HydrophobicContact CZ-CB 4.37Å; F463-A467 VanDerWaalsContact O-CB 3.28Å; F463-A467 WeakPolarHBondContact O-CB 3.41Å; F463-A467 PolarHBondContact O-N 2.86Å; V464-A467 PolarHBondContact O-N 3.07Å; G465-A467 VanDerWaalsContact C-N 3.34Å; G465-A467 PolarHBondContact O-N 2.78Å; A467-R469 PolarHBondContact O-N 3.19Å; A467-L606 HydrophobicContact CB-CD1 3.88Å; A467-L606 HydrophobicContact CB-CD2 3.59Å; A467-L606 HydrophobicContact CB-CG 4.42Å
468	M	97.6	Very high	91	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.			trans	-62.4	135.6	-172.4	-167.7	165.2	67.8	0	0	112.3	P294 F441 G442 V464 G465 A466 D486 A489	P294-M468 HydrophobicContact CG-CE 4.27Å; F441-M468 HydrophobicContact CB-SD 3.93Å; F441-M468 HydrophobicContact CD1-SD 4.49Å; G442-M468 PolarHBondContact N-SD 2.68Å; V464-M468 PolarHBondContact O-N 3.29Å; G465-M468 WeakPolarHBondContact O-CB 3.14Å; G465-M468 PolarHBondContact O-N 2.98Å; A466-M468 VanDerWaalsContact C-N 3.27Å; A466-M468 PolarHBondContact O-N 2.92Å; M468-D486 WeakPolarHBondContact CE-O 3.46Å; M468-D486 CarbonylContact O-C 3.55Å; M468-D486 PolarHBondContact O-N 2.96Å; M468-A489 HydrophobicContact CE-CB 3.69Å
469	R	95.9	Very high	89.6	Confident	28 Å²	28	27.5 Å²	27.5	11%	0.106	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.1	178	-63	168.5	81.1	-166.3	6.2	110.5	R445 A467 V483 M484 H485 E602	R445-R469 WeakPolarHBondContact CD-O 3.45Å; A467-R469 PolarHBondContact O-N 3.19Å; R469-V483 HydrophobicContact CB-CG1 3.8Å; R469-M484 CarbonylContact C-O 3.58Å; R469-M484 WeakPolarHBondContact CA-O 3.31Å; R469-M484 WeakPolarHBondContact CB-O 3.47Å; R469-H485 HydrophobicContact CG-CB 4.46Å; R469-H485 PolarHBondContact NE-NE2 2.65Å; R469-E602 WeakPolarHBondContact CD-OE1 3.39Å; R469-E602 IonicContact CZ-OE1 3.38Å; R469-E602 IonicContact NE-OE1 3.29Å; R469-E602 IonicContact NH1-OE1 2.81Å; R469-E602 PolarHBondContact NH1-OE1 2.85Å; R469-E602 IonicContact NH1-OE2 3.28Å; R469-E602 PolarHBondContact NH1-OE2 3.46Å
470	S	93.8	Very high	88	Confident	4 Å²	4	28.1 Å²	28.1	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.5	179.7	-176.1	0	0	0	0	111.7	C297 R444 M484	C297-S470 PolarHBondContact SG-OG 2.95Å; R444-S470 PolarHBondContact N-OG 2.79Å; S470-M484 PolarHBondContact N-O 2.86Å; S470-M484 PolarHBondContact O-N 3.26Å
471	E	90.6	Very high	86.9	Confident	30 Å²	30	35.7 Å²	35.7	14%	0.14	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	138.2	163.5	-67.4	-178.4	168.1	0	0	110.7	R444 P446 V482 V483	R444-E471 HydrophobicContact CB-CB 3.95Å; R444-E471 HydrophobicContact CB-CG 4.29Å; R444-E471 PolarHBondContact O-N 2.82Å; P446-E471 WeakPolarHBondContact CG-OE1 3.44Å; E471-V482 CarbonylContact C-O 3.48Å; E471-V482 WeakPolarHBondContact CA-O 3.23Å; E471-V483 HydrophobicContact CG-CG2 4.09Å
472	A	84.6	Confident	86.2	Confident	16 Å²	16	40.1 Å²	40.1	13%	0.132	22%	0.22	C	C	.	.			trans	-60.5	150.2	176	0	0	0	0	0	112.5	H478 V482 M484	A472-H478 HydrophobicContact CB-CB 4.17Å; A472-V482 PolarHBondContact N-O 3.03Å; A472-M484 HydrophobicContact CB-CE 3.68Å; A472-M484 HydrophobicContact CB-SD 4.23Å
473	T	79.7	Confident	85.7	Confident	33 Å²	33	42.2 Å²	42.2	20%	0.202	23%	0.233	C	C	.	.			trans	-131.1	164.9	-178.7	73.2	0	0	0	0	111.5	S295 A296 A475	S295-T473 WeakPolarHBondContact O-CG2 3.14Å; S295-T473 PolarHBondContact O-OG1 2.85Å; A296-T473 HydrophobicContact CB-CG2 4.17Å; T473-A475 PolarHBondContact O-N 2.85Å
474	A	79.1	Confident	85.4	Confident	46 Å²	46	44 Å²	44	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	6.8	-178.1	0	0	0	0	0	114.9	P410 N411 A476	P410-A474 HydrophobicContact CB-CB 3.8Å; N411-A474 WeakPolarHBondContact CB-O 3.34Å; A474-A476 PolarHBondContact O-N 2.96Å
475	A	70.2	Confident	85.3	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.017	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.6	-177	0	0	0	0	0	114.3	R94 T473	R94-A475 PolarHBondContact NH2-O 3.26Å; T473-A475 PolarHBondContact O-N 2.85Å
476	A	78.8	Confident	85.2	Confident	14 Å²	14	45.3 Å²	45.3	12%	0.116	25%	0.248	C	C	.	.	S	Bend	trans	-149.8	-168.5	178.3	0	0	0	0	0	110	E96 A474 H478	E96-A476 HydrophobicContact CG-CB 4.14Å; E96-A476 VanDerWaalsContact OE1-CB 3.27Å; E96-A476 WeakPolarHBondContact OE1-CB 3.48Å; A474-A476 PolarHBondContact O-N 2.96Å; A476-H478 VanDerWaalsContact C-N 3.28Å; A476-H478 PolarHBondContact O-N 3.08Å
477	E	78.9	Confident	85.2	Confident	83 Å²	83	45.3 Å²	45.3	39%	0.388	25%	0.248	S	C	.	.	S	Bend	trans	-77.3	-2.2	-174	67.1	-157.8	157.4	0	0	115.7	E96 S97	E96-E477 PolarHBondContact N-OE1 3.09Å; S97-E477 VanDerWaalsContact CB-OE1 3.28Å; S97-E477 WeakPolarHBondContact CB-OE1 3.45Å; S97-E477 PolarHBondContact N-OE1 2.9Å; S97-E477 PolarHBondContact OG-OE1 3.01Å; S97-E477 PolarHBondContact OG-OE2 3.18Å
478	H	75.4	Confident	85.2	Confident	62 Å²	62	44.6 Å²	44.6	29%	0.287	24%	0.242	S	C	.	.			trans	-75.5	133	-178.2	-58.5	-64.9	0	0	0	111.7	E96 A472 A476 M484	E96-H478 IonicContact OE2-CD2 2.74Å; E96-H478 IonicContact OE2-CE1 3.81Å; E96-H478 IonicContact OE2-NE2 2.68Å; E96-H478 PolarHBondContact OE2-NE2 3.44Å; A472-H478 HydrophobicContact CB-CB 4.17Å; A476-H478 VanDerWaalsContact C-N 3.28Å; A476-H478 PolarHBondContact O-N 3.08Å; H478-M484 HydrophobicContact CB-CE 4.19Å; H478-M484 HydrophobicContact CB-SD 4.35Å
479	K	67.3	Low	85.2	Confident	191 Å²	191	44.6 Å²	44.6	83%	0.83	24%	0.242	S	C	*	.			trans	-109.7	146.3	-179.1	-65.2	-176.5	-179.8	179.6	0	111.8
480	G	67.1	Low	85.4	Confident	54 Å²	54	43.2 Å²	43.2	56%	0.557	24%	0.237	S	C	*	.	S	Bend	trans	90.8	-177.9	171.7	0	0	0	0	0	114.9	V482	G480-V482 VanDerWaalsContact C-N 3.34Å
481	K	74.6	Confident	85.5	Confident	160 Å²	160	44.2 Å²	44.2	70%	0.696	24%	0.24	S	C	*	.	S	Bend	trans	-96.9	36.3	-179.8	-64.1	-179.1	179.1	170.6	0	112.4
482	V	85.1	Confident	85.8	Confident	94 Å²	94	43.7 Å²	43.7	57%	0.57	24%	0.239	S	C	*	.			trans	-76	133.5	-179.8	-178.6	0	0	0	0	109.3	E471 A472 G480 M484	E471-V482 CarbonylContact C-O 3.48Å; E471-V482 WeakPolarHBondContact CA-O 3.23Å; A472-V482 PolarHBondContact N-O 3.03Å; G480-V482 VanDerWaalsContact C-N 3.34Å; V482-M484 PolarHBondContact O-N 3.41Å
483	V	88.6	Confident	86.4	Confident	44 Å²	44	43 Å²	43	27%	0.267	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.9	173.6	177.9	0	0	0	0	109	R469 E471	R469-V483 HydrophobicContact CB-CG1 3.8Å; E471-V483 HydrophobicContact CG-CG2 4.09Å
484	M	92.6	Very high	87.3	Confident	43 Å²	43	41.6 Å²	41.6	21%	0.212	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.2	179.2	-56.5	-171.1	-55.6	0	0	110.4	R469 S470 A472 H478 V482	R469-M484 CarbonylContact C-O 3.58Å; R469-M484 WeakPolarHBondContact CA-O 3.31Å; R469-M484 WeakPolarHBondContact CB-O 3.47Å; S470-M484 PolarHBondContact N-O 2.86Å; S470-M484 PolarHBondContact O-N 3.26Å; A472-M484 HydrophobicContact CB-CE 3.68Å; A472-M484 HydrophobicContact CB-SD 4.23Å; H478-M484 HydrophobicContact CB-CE 4.19Å; H478-M484 HydrophobicContact CB-SD 4.35Å; V482-M484 PolarHBondContact O-N 3.41Å
485	H	96	Very high	88.2	Confident	16 Å²	16	39.5 Å²	39.5	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.6	166.5	-66.9	-95.9	0	0	0	109.2	R469 R491 Y609	R469-H485 HydrophobicContact CG-CB 4.46Å; R469-H485 PolarHBondContact NE-NE2 2.65Å; H485-R491 VanDerWaalsContact O-CD 3.3Å; H485-R491 WeakPolarHBondContact O-CD 3.28Å; H485-Y609 HydrophobicContact CB-CD2 3.92Å; H485-Y609 HydrophobicContact CB-CE1 4.15Å; H485-Y609 HydrophobicContact CB-CE2 3.44Å; H485-Y609 VanDerWaalsContact CB-CE2 3.44Å; H485-Y609 HydrophobicContact CB-CG 4.45Å; H485-Y609 AromaticContact CD2-CD2 3.48Å; H485-Y609 VanDerWaalsContact CD2-CD2 3.48Å; H485-Y609 WeakPolarHBondContact CD2-CD2 3.4Å; H485-Y609 AromaticContact CD2-CE2 3.93Å; H485-Y609 AromaticContact CD2-CG 3.85Å; H485-Y609 AromaticContact CE1-CD1 3.91Å; H485-Y609 AromaticContact CE1-CD2 3.99Å; H485-Y609 AromaticContact CE1-CG 3.53Å; H485-Y609 AromaticContact CG-CD2 3.43Å; H485-Y609 VanDerWaalsContact CG-CD2 3.43Å; H485-Y609 AromaticContact CG-CE2 3.51Å; H485-Y609 AromaticContact CG-CG 3.67Å; H485-Y609 AromaticContact CG-CZ 3.84Å; H485-Y609 AromaticContact ND1-CD1 3.53Å; H485-Y609 AromaticContact ND1-CD2 3.76Å; H485-Y609 AromaticContact ND1-CE1 3.84Å; H485-Y609 AromaticContact ND1-CG 3.47Å; H485-Y609 AromaticContact NE2-CD2 3.89Å; H485-Y609 AromaticContact NE2-CG 3.82Å
486	D	97	Very high	89.5	Confident	16 Å²	16	39.6 Å²	39.6	9%	0.086	21%	0.207	C	C	.	.			trans	-144.1	66.6	174.6	-158.7	-19.6	0	0	0	109.2	P294 M468 F488 A489 M490 R491	P294-D486 WeakPolarHBondContact CB-OD2 3.28Å; P294-D486 HydrophobicContact CG-CB 3.91Å; M468-D486 WeakPolarHBondContact CE-O 3.46Å; M468-D486 CarbonylContact O-C 3.55Å; M468-D486 PolarHBondContact O-N 2.96Å; D486-F488 PolarHBondContact O-N 3.43Å; D486-A489 PolarHBondContact O-N 3.07Å; D486-A489 VanDerWaalsContact OD1-C 3.24Å; D486-A489 VanDerWaalsContact OD1-CA 3.27Å; D486-A489 WeakPolarHBondContact OD1-CA 3.13Å; D486-M490 PolarHBondContact OD1-N 3.36Å; D486-R491 HydrophobicContact CB-CB 4.48Å; D486-R491 WeakPolarHBondContact OD1-CB 3.46Å; D486-R491 PolarHBondContact OD1-N 3Å; D486-R491 VanDerWaalsContact OD1-N 3.11Å
487	P	98.4	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-53.9	129.3	-175.6	21.8	-34.8	0	0	0	110.8	L121 G465 A489 M490 F494 F498	L121-P487 HydrophobicContact CD2-CG 3.89Å; G465-P487 CarbonylContact O-C 3.44Å; G465-P487 VanDerWaalsContact O-CA 3.31Å; G465-P487 WeakPolarHBondContact O-CA 3.43Å; P487-A489 PolarHBondContact O-N 2.81Å; P487-M490 PolarHBondContact O-N 3.39Å; P487-F494 HydrophobicContact CB-CZ 4.34Å; P487-F494 HydrophobicContact CG-CE2 3.91Å; P487-F494 HydrophobicContact CG-CZ 3.9Å; P487-F498 HydrophobicContact CB-CE1 4.24Å; P487-F498 HydrophobicContact CB-CE2 3.63Å; P487-F498 HydrophobicContact CB-CZ 3.36Å; P487-F498 HydrophobicContact CG-CE1 4.19Å; P487-F498 HydrophobicContact CG-CE2 3.9Å; P487-F498 HydrophobicContact CG-CZ 3.7Å
488	F	98.7	Very high	91.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	55.4	13.3	-178.9	-68.9	-108.8	0	0	0	115.1	A292 F441 V462 G465 A466 D486 M490 Y501 L502 W505	A292-F488 WeakPolarHBondContact CB-O 3.37Å; F441-F488 HydrophobicContact CE1-CB 4.35Å; F441-F488 AromaticContact CE1-CD1 3.47Å; F441-F488 HydrophobicContact CE1-CD1 3.47Å; F441-F488 VanDerWaalsContact CE1-CD1 3.47Å; F441-F488 AromaticContact CE1-CE1 3.92Å; F441-F488 HydrophobicContact CE1-CE1 3.92Å; F441-F488 AromaticContact CE1-CG 4Å; F441-F488 HydrophobicContact CE1-CG 4Å; F441-F488 HydrophobicContact CE2-CE1 4.31Å; F441-F488 AromaticContact CZ-CD1 3.48Å; F441-F488 HydrophobicContact CZ-CD1 3.48Å; F441-F488 VanDerWaalsContact CZ-CD1 3.48Å; F441-F488 AromaticContact CZ-CE1 3.4Å; F441-F488 HydrophobicContact CZ-CE1 3.4Å; F441-F488 VanDerWaalsContact CZ-CE1 3.4Å; F441-F488 HydrophobicContact CZ-CG 4.3Å; F441-F488 HydrophobicContact CZ-CZ 4.18Å; V462-F488 HydrophobicContact CB-CZ 4.48Å; V462-F488 HydrophobicContact CG1-CZ 4.06Å; V462-F488 WeakPolarHBondContact O-CE2 3.34Å; V462-F488 WeakPolarHBondContact O-CZ 3.14Å; G465-F488 WeakPolarHBondContact O-CD2 3.37Å; G465-F488 PolarHBondContact O-N 2.68Å; A466-F488 HydrophobicContact CB-CE2 4.16Å; D486-F488 PolarHBondContact O-N 3.43Å; F488-M490 HydrophobicContact CB-CB 4.21Å; F488-M490 HydrophobicContact CB-CG 4.08Å; F488-M490 PolarHBondContact O-N 3.09Å; F488-Y501 HydrophobicContact CB-CE1 4.21Å; F488-Y501 WeakPolarHBondContact CB-OH 3.22Å; F488-Y501 HydrophobicContact CD1-CE1 4.05Å; F488-Y501 WeakPolarHBondContact CD1-OH 3.44Å; F488-Y501 AromaticContact CD2-CE1 3.88Å; F488-Y501 HydrophobicContact CD2-CE1 3.88Å; F488-Y501 HydrophobicContact CE1-CE1 4.4Å; F488-Y501 HydrophobicContact CE2-CE1 4.23Å; F488-Y501 AromaticContact CG-CE1 3.79Å; F488-Y501 HydrophobicContact CG-CE1 3.79Å; F488-Y501 WeakPolarHBondContact CG-OH 3.38Å; F488-Y501 HydrophobicContact CZ-CE1 4.49Å; F488-L502 HydrophobicContact CE2-CD2 3.72Å; F488-L502 HydrophobicContact CZ-CD2 4.39Å; F488-W505 HydrophobicContact CD1-CD2 4.28Å; F488-W505 AromaticContact CD1-CE2 3.79Å; F488-W505 HydrophobicContact CD1-CH2 4.26Å; F488-W505 AromaticContact CD1-CZ2 3.75Å; F488-W505 HydrophobicContact CD1-CZ2 3.75Å; F488-W505 AromaticContact CE1-CD2 3.53Å; F488-W505 HydrophobicContact CE1-CD2 3.53Å; F488-W505 AromaticContact CE1-CE2 3.52Å; F488-W505 AromaticContact CE1-CE3 3.77Å; F488-W505 HydrophobicContact CE1-CE3 3.77Å; F488-W505 HydrophobicContact CE1-CG 4.04Å; F488-W505 AromaticContact CE1-CH2 4Å; F488-W505 HydrophobicContact CE1-CH2 4Å; F488-W505 AromaticContact CE1-CZ2 3.73Å; F488-W505 HydrophobicContact CE1-CZ2 3.73Å; F488-W505 HydrophobicContact CE1-CZ3 4.01Å; F488-W505 HydrophobicContact CZ-CD2 4.21Å; F488-W505 HydrophobicContact CZ-CE3 4.48Å; F488-W505 HydrophobicContact CZ-CG 4.33Å
489	A	98	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	60.8	20.6	-168.6	0	0	0	0	0	112.7	H273 A292 P294 M468 D486 P487	H273-A489 PolarHBondContact ND1-O 2.64Å; A292-A489 HydrophobicContact CB-CB 4.25Å; P294-A489 HydrophobicContact CG-CB 4.2Å; M468-A489 HydrophobicContact CE-CB 3.69Å; D486-A489 PolarHBondContact O-N 3.07Å; D486-A489 VanDerWaalsContact OD1-C 3.24Å; D486-A489 VanDerWaalsContact OD1-CA 3.27Å; D486-A489 WeakPolarHBondContact OD1-CA 3.13Å; P487-A489 PolarHBondContact O-N 2.81Å
490	M	98.4	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.			trans	-108.7	1.7	-171.9	-75.9	-67.1	-76.6	0	0	112.8	L257 H273 D486 P487 F488 P492 F493 F494	L257-M490 HydrophobicContact CB-CE 4.33Å; L257-M490 HydrophobicContact CD1-SD 4.38Å; L257-M490 HydrophobicContact CD2-CE 4.33Å; L257-M490 HydrophobicContact CD2-SD 4.02Å; H273-M490 HydrophobicContact CB-CG 4.34Å; H273-M490 HydrophobicContact CB-SD 3.56Å; H273-M490 VanDerWaalsContact CB-SD 3.56Å; D486-M490 PolarHBondContact OD1-N 3.36Å; P487-M490 PolarHBondContact O-N 3.39Å; F488-M490 HydrophobicContact CB-CB 4.21Å; F488-M490 HydrophobicContact CB-CG 4.08Å; F488-M490 PolarHBondContact O-N 3.09Å; M490-P492 VanDerWaalsContact C-CD 3.5Å; M490-P492 VanDerWaalsContact C-N 3.34Å; M490-P492 VanDerWaalsContact O-N 3.15Å; M490-F493 HydrophobicContact CE-CB 4.09Å; M490-F493 CarbonylContact O-C 3.23Å; M490-F493 WeakPolarHBondContact O-CA 3.48Å; M490-F493 PolarHBondContact O-N 3.47Å; M490-F493 HydrophobicContact SD-CB 3.89Å; M490-F493 HydrophobicContact SD-CD2 4.41Å; M490-F494 HydrophobicContact CB-CD1 3.88Å; M490-F494 HydrophobicContact CB-CE1 3.36Å; M490-F494 HydrophobicContact CB-CE2 4.25Å; M490-F494 HydrophobicContact CB-CG 4.49Å; M490-F494 HydrophobicContact CB-CZ 3.56Å; M490-F494 HydrophobicContact CG-CE1 4.39Å; M490-F494 VanDerWaalsContact O-CD2 3.3Å; M490-F494 WeakPolarHBondContact O-CD2 3.16Å; M490-F494 PolarHBondContact O-N 3.35Å
491	R	96.8	Very high	95.5	Very high	25 Å²	25	23.3 Å²	23.3	9%	0.094	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-49	-179.5	-179.8	-163.9	62	85.4	6.1	113.6	E96 Q120 H485 D486 F493	E96-R491 VanDerWaalsContact CD-NH2 3.29Å; E96-R491 IonicContact OE1-NH2 2.99Å; E96-R491 PolarHBondContact OE1-NH2 3.39Å; E96-R491 IonicContact OE2-CZ 3.9Å; E96-R491 IonicContact OE2-NH1 3.91Å; E96-R491 PolarHBondContact OE2-NH1 3.39Å; E96-R491 IonicContact OE2-NH2 2.8Å; E96-R491 PolarHBondContact OE2-NH2 2.79Å; Q120-R491 WeakPolarHBondContact O-CD 3.46Å; Q120-R491 WeakPolarHBondContact O-CG 3.3Å; H485-R491 VanDerWaalsContact O-CD 3.3Å; H485-R491 WeakPolarHBondContact O-CD 3.28Å; D486-R491 HydrophobicContact CB-CB 4.48Å; D486-R491 WeakPolarHBondContact OD1-CB 3.46Å; D486-R491 PolarHBondContact OD1-N 3Å; D486-R491 VanDerWaalsContact OD1-N 3.11Å; R491-F493 VanDerWaalsContact C-N 3.27Å; R491-F493 PolarHBondContact O-N 3.2Å
492	P	95.8	Very high	96.7	Very high	18 Å²	18	15.7 Å²	15.7	12%	0.117	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.7	180	34.3	-35.6	0	0	0	113.8	E96 R258 M490	E96-P492 HydrophobicContact CG-CB 4.24Å; E96-P492 WeakPolarHBondContact OE1-CB 3.25Å; R258-P492 PolarHBondContact NE-O 2.79Å; R258-P492 VanDerWaalsContact NE-O 3.1Å; R258-P492 PolarHBondContact NH2-O 3.45Å; M490-P492 VanDerWaalsContact C-CD 3.5Å; M490-P492 VanDerWaalsContact C-N 3.34Å; M490-P492 VanDerWaalsContact O-N 3.15Å
493	F	98.1	Very high	97.4	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	-0.3	-165	-51.1	-52.6	0	0	0	115.2	K253 L257 R258 H273 M490 R491 G495	K253-F493 HydrophobicContact CB-CD1 4.25Å; K253-F493 HydrophobicContact CB-CE1 4.08Å; K253-F493 HydrophobicContact CD-CD1 4.21Å; K253-F493 HydrophobicContact CD-CE1 3.73Å; K253-F493 HydrophobicContact CD-CZ 3.95Å; K253-F493 HydrophobicContact CG-CD1 4.48Å; K253-F493 HydrophobicContact CG-CE1 3.89Å; K253-F493 HydrophobicContact CG-CZ 4.45Å; L257-F493 HydrophobicContact CB-CB 3.9Å; L257-F493 HydrophobicContact CB-CG 4.48Å; L257-F493 HydrophobicContact CD1-CB 3.79Å; L257-F493 HydrophobicContact CD1-CD1 4.03Å; L257-F493 HydrophobicContact CD1-CD2 3.68Å; L257-F493 HydrophobicContact CD1-CE2 4.27Å; L257-F493 HydrophobicContact CD1-CG 3.56Å; L257-F493 HydrophobicContact CG-CB 4.48Å; R258-F493 VanDerWaalsContact CG-O 3.24Å; R258-F493 WeakPolarHBondContact CG-O 3.21Å; H273-F493 HydrophobicContact CB-CD2 4.32Å; H273-F493 AromaticContact CE1-CE2 3.45Å; H273-F493 VanDerWaalsContact CE1-CE2 3.45Å; H273-F493 WeakPolarHBondContact CE1-CE2 3.39Å; H273-F493 AromaticContact CG-CE2 3.99Å; H273-F493 AromaticContact ND1-CD2 3.86Å; H273-F493 AromaticContact ND1-CE2 3.53Å; H273-F493 AromaticContact NE2-CE2 3.86Å; M490-F493 HydrophobicContact CE-CB 4.09Å; M490-F493 CarbonylContact O-C 3.23Å; M490-F493 WeakPolarHBondContact O-CA 3.48Å; M490-F493 PolarHBondContact O-N 3.47Å; M490-F493 HydrophobicContact SD-CB 3.89Å; M490-F493 HydrophobicContact SD-CD2 4.41Å; R491-F493 VanDerWaalsContact C-N 3.27Å; R491-F493 PolarHBondContact O-N 3.2Å; F493-G495 PolarHBondContact O-N 3.41Å
494	F	98.6	Very high	97.8	Very high	5 Å²	5	12 Å²	12	2%	0.022	7%	0.068	C	C	.	.			trans	-55.5	131.6	171.4	-66.9	-58.1	0	0	0	110.5	I101 L121 P487 M490 F498 Y501	I101-F494 WeakPolarHBondContact CD1-O 3.41Å; L121-F494 HydrophobicContact CD2-CD2 4.18Å; L121-F494 HydrophobicContact CD2-CE2 3.7Å; P487-F494 HydrophobicContact CB-CZ 4.34Å; P487-F494 HydrophobicContact CG-CE2 3.91Å; P487-F494 HydrophobicContact CG-CZ 3.9Å; M490-F494 HydrophobicContact CB-CD1 3.88Å; M490-F494 HydrophobicContact CB-CE1 3.36Å; M490-F494 HydrophobicContact CB-CE2 4.25Å; M490-F494 HydrophobicContact CB-CG 4.49Å; M490-F494 HydrophobicContact CB-CZ 3.56Å; M490-F494 HydrophobicContact CG-CE1 4.39Å; M490-F494 VanDerWaalsContact O-CD2 3.3Å; M490-F494 WeakPolarHBondContact O-CD2 3.16Å; M490-F494 PolarHBondContact O-N 3.35Å; F494-F498 HydrophobicContact CD1-CD2 4.29Å; F494-F498 HydrophobicContact CD2-CB 4.49Å; F494-F498 HydrophobicContact CD2-CD2 4.42Å; F494-F498 AromaticContact CE1-CD2 3.56Å; F494-F498 HydrophobicContact CE1-CD2 3.56Å; F494-F498 HydrophobicContact CE1-CE2 4.03Å; F494-F498 HydrophobicContact CE2-CB 4.43Å; F494-F498 AromaticContact CE2-CD2 3.69Å; F494-F498 HydrophobicContact CE2-CD2 3.69Å; F494-F498 HydrophobicContact CE2-CE2 4.23Å; F494-F498 HydrophobicContact CE2-CG 4.17Å; F494-F498 AromaticContact CZ-CD2 3.22Å; F494-F498 HydrophobicContact CZ-CD2 3.22Å; F494-F498 AromaticContact CZ-CE2 3.51Å; F494-F498 HydrophobicContact CZ-CE2 3.51Å; F494-F498 HydrophobicContact CZ-CG 4.14Å; F494-Y501 HydrophobicContact CD1-CD1 4.4Å; F494-Y501 HydrophobicContact CD1-CD2 4.09Å; F494-Y501 HydrophobicContact CD1-CE2 4.39Å; F494-Y501 HydrophobicContact CD1-CG 4.1Å; F494-Y501 AromaticContact CE1-CD1 3.72Å; F494-Y501 HydrophobicContact CE1-CD1 3.72Å; F494-Y501 HydrophobicContact CE1-CD2 4.09Å; F494-Y501 AromaticContact CE1-CE1 3.78Å; F494-Y501 HydrophobicContact CE1-CE1 3.78Å; F494-Y501 HydrophobicContact CE1-CE2 4.15Å; F494-Y501 AromaticContact CE1-CG 3.88Å; F494-Y501 HydrophobicContact CE1-CG 3.88Å; F494-Y501 AromaticContact CE1-CZ 3.98Å
495	G	98.1	Very high	98.1	Very high	2 Å²	2	10 Å²	10	2%	0.021	6%	0.058	C	C	.	.	S	Bend	trans	-91.5	-8.9	175.4	0	0	0	0	0	114.7	R258 S261 F493	R258-G495 WeakPolarHBondContact O-CA 3.5Å; S261-G495 WeakPolarHBondContact OG-CA 3.36Å; S261-G495 PolarHBondContact OG-N 2.85Å; S261-G495 VanDerWaalsContact OG-N 3.16Å; F493-G495 PolarHBondContact O-N 3.41Å
496	Y	98.6	Very high	98.3	Very high	3 Å²	3	9.6 Å²	9.6	1%	0.012	6%	0.056	C	C	.	.	S	Bend	trans	-161.8	177.1	-174.5	63.9	-80.5	0	0	0	109.6	D108 T109 S261 R262 K265 F498 D500 Y501 H504	D108-Y496 WeakPolarHBondContact O-CA 3.39Å; D108-Y496 WeakPolarHBondContact O-CB 3.37Å; T109-Y496 CarbonylContact O-C 3.51Å; S261-Y496 WeakPolarHBondContact O-CE1 3.11Å; R262-Y496 HydrophobicContact CB-CD1 4.31Å; K265-Y496 HydrophobicContact CB-CE1 4.1Å; K265-Y496 HydrophobicContact CB-CE2 4.29Å; K265-Y496 HydrophobicContact CD-CD2 3.76Å; K265-Y496 HydrophobicContact CD-CE2 3.57Å; K265-Y496 HydrophobicContact CD-CG 4.33Å; K265-Y496 HydrophobicContact CG-CE2 4.04Å; Y496-F498 PolarHBondContact O-N 3.21Å; Y496-D500 HydrophobicContact CD2-CB 3.84Å; Y496-D500 HydrophobicContact CE2-CB 3.83Å; Y496-Y501 HydrophobicContact CE1-CD2 4.28Å; Y496-Y501 VanDerWaalsContact CE2-CA 3.5Å; Y496-Y501 AromaticContact CZ-CD2 3.97Å; Y496-Y501 WeakPolarHBondContact OH-CA 3.18Å; Y496-Y501 WeakPolarHBondContact OH-CD2 3.46Å; Y496-H504 PolarHBondContact OH-ND1 3.09Å
497	N	98.6	Very high	98.3	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	7%	0.068	C	C	.	.			trans	-46.5	127	-178.1	-172.6	-54.7	0	0	0	113.4	R107 D108 T109 I110 P111 G499 D500 Y501 D617	R107-N497 VanDerWaalsContact O-CB 3.31Å; R107-N497 WeakPolarHBondContact O-CB 3.34Å; R107-N497 PolarHBondContact O-ND2 2.97Å; D108-N497 PolarHBondContact O-N 3.04Å; T109-N497 PolarHBondContact O-N 3.09Å; T109-N497 VanDerWaalsContact O-N 3.16Å; I110-N497 PolarHBondContact O-ND2 2.78Å; P111-N497 WeakPolarHBondContact CA-ND2 3.46Å; N497-G499 PolarHBondContact O-N 3.48Å; N497-G499 WeakPolarHBondContact OD1-CA 3.37Å; N497-G499 PolarHBondContact OD1-N 3.37Å; N497-D500 HydrophobicContact CB-CB 4.11Å; N497-D500 WeakPolarHBondContact O-CB 3.44Å; N497-D500 PolarHBondContact O-N 3.02Å; N497-D500 PolarHBondContact OD1-N 2.87Å; N497-Y501 PolarHBondContact O-N 2.79Å; N497-D617 PolarHBondContact ND2-OD2 3.31Å
498	F	98.8	Very high	98.2	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-35.5	-179.1	175.2	-124.3	0	0	0	113.8	P111 L121 A466 P487 F494 Y496 Y501 L502 F610 V614	P111-F498 HydrophobicContact CG-CB 4.08Å; L121-F498 HydrophobicContact CB-CB 4.45Å; L121-F498 HydrophobicContact CD1-CB 3.96Å; L121-F498 HydrophobicContact CD1-CD1 3.6Å; L121-F498 HydrophobicContact CD1-CE1 4.49Å; L121-F498 HydrophobicContact CD1-CG 4.1Å; L121-F498 HydrophobicContact CD2-CB 4.18Å; L121-F498 HydrophobicContact CD2-CD1 3.84Å; L121-F498 HydrophobicContact CD2-CE1 4.36Å; L121-F498 HydrophobicContact CD2-CG 3.94Å; L121-F498 HydrophobicContact CG-CB 4.44Å; L121-F498 HydrophobicContact CG-CD1 4.37Å; A466-F498 HydrophobicContact CB-CZ 4.17Å; P487-F498 HydrophobicContact CB-CE1 4.24Å; P487-F498 HydrophobicContact CB-CE2 3.63Å; P487-F498 HydrophobicContact CB-CZ 3.36Å; P487-F498 HydrophobicContact CG-CE1 4.19Å; P487-F498 HydrophobicContact CG-CE2 3.9Å; P487-F498 HydrophobicContact CG-CZ 3.7Å; F494-F498 HydrophobicContact CD1-CD2 4.29Å; F494-F498 HydrophobicContact CD2-CB 4.49Å; F494-F498 HydrophobicContact CD2-CD2 4.42Å; F494-F498 AromaticContact CE1-CD2 3.56Å; F494-F498 HydrophobicContact CE1-CD2 3.56Å; F494-F498 HydrophobicContact CE1-CE2 4.03Å; F494-F498 HydrophobicContact CE2-CB 4.43Å; F494-F498 AromaticContact CE2-CD2 3.69Å; F494-F498 HydrophobicContact CE2-CD2 3.69Å; F494-F498 HydrophobicContact CE2-CE2 4.23Å; F494-F498 HydrophobicContact CE2-CG 4.17Å; F494-F498 AromaticContact CZ-CD2 3.22Å; F494-F498 HydrophobicContact CZ-CD2 3.22Å; F494-F498 AromaticContact CZ-CE2 3.51Å; F494-F498 HydrophobicContact CZ-CE2 3.51Å; F494-F498 HydrophobicContact CZ-CG 4.14Å; Y496-F498 PolarHBondContact O-N 3.21Å; F498-Y501 AromaticContact CD2-CD1 3.96Å; F498-Y501 HydrophobicContact CD2-CD1 3.96Å; F498-Y501 HydrophobicContact CE2-CD1 4.04Å; F498-Y501 HydrophobicContact CE2-CE1 4.46Å; F498-Y501 WeakPolarHBondContact O-CB 3.22Å; F498-Y501 PolarHBondContact O-N 2.98Å; F498-Y501 VanDerWaalsContact O-N 3.16Å; F498-L502 HydrophobicContact CD1-CD1 4.24Å; F498-L502 HydrophobicContact CD2-CG 4.24Å; F498-L502 HydrophobicContact CE1-CD1 3.71Å; F498-L502 HydrophobicContact CE1-CG 4.25Å; F498-L502 HydrophobicContact CE2-CD1 4.14Å; F498-L502 HydrophobicContact CE2-CD2 3.73Å; F498-L502 HydrophobicContact CE2-CG 3.75Å; F498-L502 HydrophobicContact CZ-CD1 3.65Å; F498-L502 HydrophobicContact CZ-CD2 3.74Å; F498-L502 HydrophobicContact CZ-CG 3.77Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 3.29Å; F498-F610 HydrophobicContact CE1-CE1 4.47Å; F498-V614 HydrophobicContact CD1-CG2 3.78Å; F498-V614 HydrophobicContact CE1-CG2 3.99Å
499	G	98.6	Very high	98	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-43.9	174.1	0	0	0	0	0	112.1	N497 Y501 L502 A503 D617	N497-G499 PolarHBondContact O-N 3.48Å; N497-G499 WeakPolarHBondContact OD1-CA 3.37Å; N497-G499 PolarHBondContact OD1-N 3.37Å; G499-Y501 VanDerWaalsContact C-N 3.29Å; G499-Y501 PolarHBondContact O-N 2.99Å; G499-L502 WeakPolarHBondContact O-CB 3.08Å; G499-L502 PolarHBondContact O-N 3.07Å; G499-A503 PolarHBondContact O-N 2.85Å; G499-D617 WeakPolarHBondContact CA-O 3.1Å
500	D	98.6	Very high	97.8	Very high	57 Å²	57	19.5 Å²	19.5	31%	0.305	12%	0.115	S	C	.	.	H	α-helix	trans	-62.3	-36.9	171.3	-77.7	-4.7	0	0	0	112.2	K265 Y496 N497 A503 H504	K265-D500 IonicContact NZ-OD2 2.72Å; K265-D500 PolarHBondContact NZ-OD2 3.27Å; Y496-D500 HydrophobicContact CD2-CB 3.84Å; Y496-D500 HydrophobicContact CE2-CB 3.83Å; N497-D500 HydrophobicContact CB-CB 4.11Å; N497-D500 WeakPolarHBondContact O-CB 3.44Å; N497-D500 PolarHBondContact O-N 3.02Å; N497-D500 PolarHBondContact OD1-N 2.87Å; D500-A503 PolarHBondContact O-N 3.02Å; D500-H504 VanDerWaalsContact O-CB 3.32Å; D500-H504 WeakPolarHBondContact O-CB 3.42Å; D500-H504 PolarHBondContact O-N 3.4Å
501	Y	98.9	Very high	97.4	Very high	1 Å²	1	23 Å²	23	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-42.5	176.7	170.3	-83.2	0	0	0	110.9	E272 F488 F494 Y496 N497 F498 G499 H504 W505	E272-Y501 VanDerWaalsContact CD-OH 3.25Å; E272-Y501 PolarHBondContact OE1-OH 3.17Å; E272-Y501 PolarHBondContact OE2-OH 3.19Å; F488-Y501 HydrophobicContact CB-CE1 4.21Å; F488-Y501 WeakPolarHBondContact CB-OH 3.22Å; F488-Y501 HydrophobicContact CD1-CE1 4.05Å; F488-Y501 WeakPolarHBondContact CD1-OH 3.44Å; F488-Y501 AromaticContact CD2-CE1 3.88Å; F488-Y501 HydrophobicContact CD2-CE1 3.88Å; F488-Y501 HydrophobicContact CE1-CE1 4.4Å; F488-Y501 HydrophobicContact CE2-CE1 4.23Å; F488-Y501 AromaticContact CG-CE1 3.79Å; F488-Y501 HydrophobicContact CG-CE1 3.79Å; F488-Y501 WeakPolarHBondContact CG-OH 3.38Å; F488-Y501 HydrophobicContact CZ-CE1 4.49Å; F494-Y501 HydrophobicContact CD1-CD1 4.4Å; F494-Y501 HydrophobicContact CD1-CD2 4.09Å; F494-Y501 HydrophobicContact CD1-CE2 4.39Å; F494-Y501 HydrophobicContact CD1-CG 4.1Å; F494-Y501 AromaticContact CE1-CD1 3.72Å; F494-Y501 HydrophobicContact CE1-CD1 3.72Å; F494-Y501 HydrophobicContact CE1-CD2 4.09Å; F494-Y501 AromaticContact CE1-CE1 3.78Å; F494-Y501 HydrophobicContact CE1-CE1 3.78Å; F494-Y501 HydrophobicContact CE1-CE2 4.15Å; F494-Y501 AromaticContact CE1-CG 3.88Å; F494-Y501 HydrophobicContact CE1-CG 3.88Å; F494-Y501 AromaticContact CE1-CZ 3.98Å; Y496-Y501 HydrophobicContact CE1-CD2 4.28Å; Y496-Y501 VanDerWaalsContact CE2-CA 3.5Å; Y496-Y501 AromaticContact CZ-CD2 3.97Å; Y496-Y501 WeakPolarHBondContact OH-CA 3.18Å; Y496-Y501 WeakPolarHBondContact OH-CD2 3.46Å; N497-Y501 PolarHBondContact O-N 2.79Å; F498-Y501 AromaticContact CD2-CD1 3.96Å; F498-Y501 HydrophobicContact CD2-CD1 3.96Å; F498-Y501 HydrophobicContact CE2-CD1 4.04Å; F498-Y501 HydrophobicContact CE2-CE1 4.46Å; F498-Y501 WeakPolarHBondContact O-CB 3.22Å; F498-Y501 PolarHBondContact O-N 2.98Å; F498-Y501 VanDerWaalsContact O-N 3.16Å; G499-Y501 VanDerWaalsContact C-N 3.29Å; G499-Y501 PolarHBondContact O-N 2.99Å; Y501-H504 WeakPolarHBondContact O-CB 3.47Å; Y501-H504 PolarHBondContact O-N 2.9Å; Y501-W505 AromaticContact CD1-CD1 3.9Å; Y501-W505 AromaticContact CE1-CD1 3.46Å; Y501-W505 VanDerWaalsContact CE1-CD1 3.46Å; Y501-W505 HydrophobicContact CE1-CG 4.42Å; Y501-W505 AromaticContact CE1-NE1 3.53Å; Y501-W505 AromaticContact CE2-CD1 3.84Å; Y501-W505 AromaticContact CE2-NE1 3.5Å; Y501-W505 AromaticContact CZ-CD1 3.45Å; Y501-W505 VanDerWaalsContact CZ-CD1 3.45Å; Y501-W505 AromaticContact CZ-NE1 3.04Å; Y501-W505 PolarHBondContact O-N 2.83Å; Y501-W505 PolarHBondContact OH-NE1 2.7Å
502	L	98.9	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-44.6	173.4	-67	173.8	0	0	0	111.5	V462 A466 F488 F498 G499 H504 W505 L506 L618 P619 V622	V462-L502 HydrophobicContact CG1-CD2 4.07Å; A466-L502 HydrophobicContact CB-CD1 4.37Å; A466-L502 HydrophobicContact CB-CD2 3.65Å; F488-L502 HydrophobicContact CE2-CD2 3.72Å; F488-L502 HydrophobicContact CZ-CD2 4.39Å; F498-L502 HydrophobicContact CD1-CD1 4.24Å; F498-L502 HydrophobicContact CD2-CG 4.24Å; F498-L502 HydrophobicContact CE1-CD1 3.71Å; F498-L502 HydrophobicContact CE1-CG 4.25Å; F498-L502 HydrophobicContact CE2-CD1 4.14Å; F498-L502 HydrophobicContact CE2-CD2 3.73Å; F498-L502 HydrophobicContact CE2-CG 3.75Å; F498-L502 HydrophobicContact CZ-CD1 3.65Å; F498-L502 HydrophobicContact CZ-CD2 3.74Å; F498-L502 HydrophobicContact CZ-CG 3.77Å; F498-L502 WeakPolarHBondContact O-CG 3.19Å; F498-L502 PolarHBondContact O-N 3.29Å; G499-L502 WeakPolarHBondContact O-CB 3.08Å; G499-L502 PolarHBondContact O-N 3.07Å; L502-H504 VanDerWaalsContact C-N 3.27Å; L502-H504 PolarHBondContact O-N 2.7Å; L502-W505 PolarHBondContact O-N 3.11Å; L502-L506 VanDerWaalsContact O-CG 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.38Å; L502-L506 PolarHBondContact O-N 2.81Å; L502-L618 HydrophobicContact CD1-CD1 4.31Å; L502-P619 HydrophobicContact CB-CG 3.76Å; L502-V622 HydrophobicContact CB-CG2 4.46Å; L502-V622 HydrophobicContact CD1-CG2 4.32Å
503	A	98.7	Very high	96.3	Very high	45 Å²	45	33.6 Å²	33.6	37%	0.372	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-39.2	176	0	0	0	0	0	111.8	G499 D500 L506 S507 P619	G499-A503 PolarHBondContact O-N 2.85Å; D500-A503 PolarHBondContact O-N 3.02Å; A503-L506 PolarHBondContact O-N 2.85Å; A503-S507 WeakPolarHBondContact O-CB 3.35Å; A503-S507 PolarHBondContact O-N 2.92Å; A503-P619 HydrophobicContact CB-CG 4.2Å
504	H	98.7	Very high	95.7	Very high	17 Å²	17	37.6 Å²	37.6	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-46	176.1	-179.6	-150	0	0	0	112	A264 K265 W269 Y496 D500 Y501 L502 L506 S507 M508	A264-H504 PolarHBondContact O-CE1 3.37Å; K265-H504 VanDerWaalsContact CA-CE1 3.43Å; K265-H504 WeakPolarHBondContact CA-CE1 3.4Å; W269-H504 PolarHBondContact O-CE1 2.86Å; Y496-H504 PolarHBondContact OH-ND1 3.09Å; D500-H504 VanDerWaalsContact O-CB 3.32Å; D500-H504 WeakPolarHBondContact O-CB 3.42Å; D500-H504 PolarHBondContact O-N 3.4Å; Y501-H504 WeakPolarHBondContact O-CB 3.47Å; Y501-H504 PolarHBondContact O-N 2.9Å; L502-H504 VanDerWaalsContact C-N 3.27Å; L502-H504 PolarHBondContact O-N 2.7Å; H504-L506 VanDerWaalsContact C-N 3.35Å; H504-L506 PolarHBondContact O-N 3.4Å; H504-S507 WeakPolarHBondContact O-CB 3.48Å; H504-S507 PolarHBondContact O-N 3.4Å; H504-S507 PolarHBondContact O-OG 2.69Å; H504-M508 WeakPolarHBondContact CD2-CE 3.43Å; H504-M508 WeakPolarHBondContact NE2-CE 3.27Å
505	W	98.8	Very high	95.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-43.6	172.7	-92.9	84.1	0	0	0	112.8	L270 E272 M274 M324 I439 W458 V462 F488 Y501 L502 S507 M508	L270-W505 HydrophobicContact CD1-CD2 4.5Å; L270-W505 HydrophobicContact CD1-CH2 4.15Å; L270-W505 HydrophobicContact CD1-CZ2 4.13Å; L270-W505 HydrophobicContact CD1-CZ3 4.35Å; L270-W505 HydrophobicContact CD2-CD2 4.32Å; L270-W505 HydrophobicContact CD2-CG 4.42Å; E272-W505 VanDerWaalsContact CD-CZ2 3.44Å; E272-W505 HydrophobicContact CG-CZ2 3.75Å; E272-W505 WeakPolarHBondContact OE1-CZ2 3.32Å; E272-W505 PolarHBondContact OE1-NE1 2.97Å; M274-W505 HydrophobicContact CE-CH2 3.8Å; M274-W505 HydrophobicContact CE-CZ2 4.02Å; M324-W505 HydrophobicContact CE-CH2 4.44Å; I439-W505 HydrophobicContact CD1-CH2 4Å; I439-W505 HydrophobicContact CD1-CZ3 3.96Å; W458-W505 HydrophobicContact CH2-CE3 4.02Å; W458-W505 AromaticContact CH2-CZ3 3.77Å; W458-W505 HydrophobicContact CH2-CZ3 3.77Å; W458-W505 AromaticContact CZ2-CE3 3.64Å; W458-W505 HydrophobicContact CZ2-CE3 3.64Å; W458-W505 AromaticContact CZ2-CZ3 3.9Å; W458-W505 HydrophobicContact CZ2-CZ3 3.9Å; W458-W505 PolarHBondContact NE1-O 3.06Å; V462-W505 HydrophobicContact CG1-CB 4.18Å; V462-W505 HydrophobicContact CG2-CB 4.04Å; V462-W505 HydrophobicContact CG2-CE3 4.35Å; F488-W505 HydrophobicContact CD1-CD2 4.28Å; F488-W505 AromaticContact CD1-CE2 3.79Å; F488-W505 HydrophobicContact CD1-CH2 4.26Å; F488-W505 AromaticContact CD1-CZ2 3.75Å; F488-W505 HydrophobicContact CD1-CZ2 3.75Å; F488-W505 AromaticContact CE1-CD2 3.53Å; F488-W505 HydrophobicContact CE1-CD2 3.53Å; F488-W505 AromaticContact CE1-CE2 3.52Å; F488-W505 AromaticContact CE1-CE3 3.77Å; F488-W505 HydrophobicContact CE1-CE3 3.77Å; F488-W505 HydrophobicContact CE1-CG 4.04Å; F488-W505 AromaticContact CE1-CH2 4Å; F488-W505 HydrophobicContact CE1-CH2 4Å; F488-W505 AromaticContact CE1-CZ2 3.73Å; F488-W505 HydrophobicContact CE1-CZ2 3.73Å; F488-W505 HydrophobicContact CE1-CZ3 4.01Å; F488-W505 HydrophobicContact CZ-CD2 4.21Å; F488-W505 HydrophobicContact CZ-CE3 4.48Å; F488-W505 HydrophobicContact CZ-CG 4.33Å; Y501-W505 AromaticContact CD1-CD1 3.9Å; Y501-W505 AromaticContact CE1-CD1 3.46Å; Y501-W505 VanDerWaalsContact CE1-CD1 3.46Å; Y501-W505 HydrophobicContact CE1-CG 4.42Å; Y501-W505 AromaticContact CE1-NE1 3.53Å; Y501-W505 AromaticContact CE2-CD1 3.84Å; Y501-W505 AromaticContact CE2-NE1 3.5Å; Y501-W505 AromaticContact CZ-CD1 3.45Å; Y501-W505 VanDerWaalsContact CZ-CD1 3.45Å; Y501-W505 AromaticContact CZ-NE1 3.04Å; Y501-W505 PolarHBondContact O-N 2.83Å; Y501-W505 PolarHBondContact OH-NE1 2.7Å; L502-W505 PolarHBondContact O-N 3.11Å; W505-S507 VanDerWaalsContact C-N 3.31Å; W505-S507 PolarHBondContact O-N 3.48Å; W505-M508 WeakPolarHBondContact O-CB 3.41Å; W505-M508 PolarHBondContact O-N 3.27Å
506	L	98.6	Very high	95.2	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-39.3	175.4	-70.9	165.7	0	0	0	111.8	Q459 V462 L502 A503 H504 M508 Q509 P619 Q621 V622	Q459-L506 HydrophobicContact CB-CD2 4.3Å; Q459-L506 HydrophobicContact CG-CD2 3.94Å; V462-L506 HydrophobicContact CB-CD2 4.06Å; V462-L506 HydrophobicContact CG1-CD2 4.07Å; V462-L506 HydrophobicContact CG1-CG 4.06Å; V462-L506 HydrophobicContact CG2-CD2 4.19Å; L502-L506 VanDerWaalsContact O-CG 3.29Å; L502-L506 WeakPolarHBondContact O-CG 3.38Å; L502-L506 PolarHBondContact O-N 2.81Å; A503-L506 PolarHBondContact O-N 2.85Å; H504-L506 VanDerWaalsContact C-N 3.35Å; H504-L506 PolarHBondContact O-N 3.4Å; L506-M508 PolarHBondContact O-N 2.78Å; L506-M508 VanDerWaalsContact O-N 3.09Å; L506-Q509 WeakPolarHBondContact O-CG 3.35Å; L506-Q509 PolarHBondContact O-N 3.23Å; L506-P619 HydrophobicContact CD1-CB 3.72Å; L506-P619 HydrophobicContact CD1-CG 4.21Å; L506-Q621 HydrophobicContact CD1-CB 3.81Å; L506-Q621 HydrophobicContact CD1-CG 4.31Å; L506-Q621 HydrophobicContact CD2-CB 4.15Å; L506-V622 HydrophobicContact CD1-CG2 4.11Å
507	S	97.7	Very high	95.2	Very high	48 Å²	48	47 Å²	47	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-19.7	-178.6	79.7	0	0	0	0	113.8	A503 H504 W505 Q509 T510 R511	A503-S507 WeakPolarHBondContact O-CB 3.35Å; A503-S507 PolarHBondContact O-N 2.92Å; H504-S507 WeakPolarHBondContact O-CB 3.48Å; H504-S507 PolarHBondContact O-N 3.4Å; H504-S507 PolarHBondContact O-OG 2.69Å; W505-S507 VanDerWaalsContact C-N 3.31Å; W505-S507 PolarHBondContact O-N 3.48Å; S507-Q509 PolarHBondContact O-N 2.89Å; S507-T510 PolarHBondContact O-N 3.15Å; S507-T510 VanDerWaalsContact O-N 3.09Å; S507-T510 PolarHBondContact O-OG1 3.39Å; S507-T510 VanDerWaalsContact O-OG1 3.05Å; S507-R511 PolarHBondContact O-N 2.83Å
508	M	97.2	Very high	95.1	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.2	-32	178.6	-65.1	-60.1	155	0	0	112.8	L270 F326 W458 H504 W505 L506 T510 R511	L270-M508 HydrophobicContact CD1-CG 4.49Å; L270-M508 HydrophobicContact CD2-CE 3.85Å; L270-M508 HydrophobicContact CG-CE 4.18Å; F326-M508 HydrophobicContact CD2-SD 4.12Å; F326-M508 HydrophobicContact CE2-CB 4Å; F326-M508 HydrophobicContact CE2-CG 4.25Å; F326-M508 HydrophobicContact CE2-SD 3.86Å; W458-M508 HydrophobicContact CZ2-CB 3.85Å; W458-M508 HydrophobicContact CZ2-CG 4.38Å; H504-M508 WeakPolarHBondContact CD2-CE 3.43Å; H504-M508 WeakPolarHBondContact NE2-CE 3.27Å; W505-M508 WeakPolarHBondContact O-CB 3.41Å; W505-M508 PolarHBondContact O-N 3.27Å; L506-M508 PolarHBondContact O-N 2.78Å; L506-M508 VanDerWaalsContact O-N 3.09Å; M508-T510 VanDerWaalsContact C-N 3.31Å; M508-T510 PolarHBondContact O-N 3.06Å; M508-R511 VanDerWaalsContact O-CD 3.31Å; M508-R511 WeakPolarHBondContact O-CD 3.45Å; M508-R511 WeakPolarHBondContact O-CG 3.45Å
509	Q	94.8	Very high	95.1	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-75.9	-19.4	177.9	81.5	-168.9	-6.4	0	0	113.3	W458 L506 S507 L517	W458-Q509 HydrophobicContact CB-CB 4.46Å; W458-Q509 HydrophobicContact CG-CB 4.15Å; L506-Q509 WeakPolarHBondContact O-CG 3.35Å; L506-Q509 PolarHBondContact O-N 3.23Å; S507-Q509 PolarHBondContact O-N 2.89Å; Q509-L517 HydrophobicContact CB-CD1 3.63Å
510	T	92.1	Very high	95.2	Very high	104 Å²	104	50.4 Å²	50.4	64%	0.638	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-107.3	18.5	-175.9	56.1	0	0	0	0	112.7	S507 M508	S507-T510 PolarHBondContact O-N 3.15Å; S507-T510 VanDerWaalsContact O-N 3.09Å; S507-T510 PolarHBondContact O-OG1 3.39Å; S507-T510 VanDerWaalsContact O-OG1 3.05Å; M508-T510 VanDerWaalsContact C-N 3.31Å; M508-T510 PolarHBondContact O-N 3.06Å
511	R	90.8	Very high	95.2	Very high	74 Å²	74	47.7 Å²	47.7	28%	0.279	26%	0.256	S	S	.	.			trans	-61.1	143.4	175.3	-68.3	169.8	64.1	87.6	2	109.8	G268 S507 M508 A513	G268-R511 PolarHBondContact O-NH1 3.47Å; S507-R511 PolarHBondContact O-N 2.83Å; M508-R511 VanDerWaalsContact O-CD 3.31Å; M508-R511 WeakPolarHBondContact O-CD 3.45Å; M508-R511 WeakPolarHBondContact O-CG 3.45Å; R511-A513 VanDerWaalsContact C-N 3.33Å; R511-A513 PolarHBondContact O-N 2.85Å
512	K	83.3	Confident	95.2	Very high	220 Å²	220	48 Å²	48	96%	0.957	26%	0.257	S	S	*	.	S	Bend	trans	-68.8	-31.3	179.2	-67.2	-175	178.8	-179.2	0	113.2
513	A	85.7	Confident	95.2	Very high	45 Å²	45	48.1 Å²	48.1	37%	0.372	26%	0.258	S	S	.	.	S	Bend	trans	-75.2	160.9	177.9	0	0	0	0	0	110.8	R511 T515	R511-A513 VanDerWaalsContact C-N 3.33Å; R511-A513 PolarHBondContact O-N 2.85Å; A513-T515 PolarHBondContact O-N 3.11Å; A513-T515 PolarHBondContact O-OG1 3.42Å
514	P	85.6	Confident	95.1	Very high	84 Å²	84	46 Å²	46	55%	0.545	24%	0.24	S	C	.	.			trans	-45.8	138.9	168.9	-27	35.2	0	0	0	110.5	G330	G330-P514 WeakPolarHBondContact CA-O 3.28Å
515	T	92.3	Very high	95.1	Very high	42 Å²	42	46 Å²	46	26%	0.258	24%	0.24	S	C	.	.			trans	-141.2	116.3	-176.7	-58.7	0	0	0	0	109.6	F326 A513 L517	F326-T515 HydrophobicContact CD1-CG2 4.22Å; F326-T515 HydrophobicContact CE1-CG2 3.71Å; F326-T515 HydrophobicContact CZ-CG2 3.92Å; A513-T515 PolarHBondContact O-N 3.11Å; A513-T515 PolarHBondContact O-OG1 3.42Å; T515-L517 HydrophobicContact CG2-CD2 3.47Å; T515-L517 VanDerWaalsContact CG2-CD2 3.47Å; T515-L517 HydrophobicContact CG2-CG 3.84Å
516	Q	95.1	Very high	95	Very high	107 Å²	107	47.5 Å²	47.5	50%	0.5	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-106.2	93.3	172.1	-60.9	-178.5	18.7	0	0	107.7	G330 K331	G330-Q516 PolarHBondContact O-N 3.02Å; K331-Q516 HydrophobicContact CD-CB 4.48Å
517	L	97.1	Very high	94.8	Very high	58 Å²	58	48 Å²	48	30%	0.304	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-70.2	132.8	-178.8	-62.2	172.6	0	0	0	110.1	F326 W458 Q509 T515	F326-L517 HydrophobicContact CE1-CD2 4.39Å; F326-L517 HydrophobicContact CZ-CD2 3.8Å; W458-L517 HydrophobicContact CB-CD1 3.71Å; W458-L517 HydrophobicContact CD2-CD1 4.01Å; W458-L517 HydrophobicContact CD2-CD2 3.95Å; W458-L517 HydrophobicContact CD2-CG 4.37Å; W458-L517 HydrophobicContact CE3-CB 3.86Å; W458-L517 HydrophobicContact CE3-CD1 4.19Å; W458-L517 HydrophobicContact CE3-CD2 3.91Å; W458-L517 HydrophobicContact CE3-CG 4.2Å; W458-L517 HydrophobicContact CG-CD1 3.82Å; W458-L517 HydrophobicContact CH2-CD2 4.35Å; W458-L517 HydrophobicContact CZ2-CD2 4.39Å; W458-L517 HydrophobicContact CZ3-CB 4.28Å; W458-L517 HydrophobicContact CZ3-CD2 4.12Å; Q509-L517 HydrophobicContact CB-CD1 3.63Å; T515-L517 HydrophobicContact CG2-CD2 3.47Å; T515-L517 VanDerWaalsContact CG2-CD2 3.47Å; T515-L517 HydrophobicContact CG2-CG 3.84Å
518	P	98.1	Very high	94.7	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.039	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.9	151.3	170	28.3	-33	0	0	0	110.1	L332 I436 D437 I439 W458	L332-P518 HydrophobicContact CD2-CG 3.9Å; I436-P518 HydrophobicContact CG2-CB 4.03Å; I436-P518 HydrophobicContact CG2-CG 4.35Å; D437-P518 VanDerWaalsContact C-CB 3.49Å; D437-P518 CarbonylContact O-C 3.55Å; D437-P518 VanDerWaalsContact O-CA 3.25Å; D437-P518 WeakPolarHBondContact O-CA 3.42Å; D437-P518 WeakPolarHBondContact O-CB 3.32Å; I439-P518 HydrophobicContact CD1-CG 3.57Å; I439-P518 HydrophobicContact CG1-CB 4.23Å; I439-P518 HydrophobicContact CG1-CG 3.8Å; W458-P518 HydrophobicContact CH2-CG 4.47Å; W458-P518 HydrophobicContact CZ3-CG 3.89Å
519	K	98.5	Very high	94.5	Very high	68 Å²	68	50.4 Å²	50.4	30%	0.296	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.3	173.5	-59.6	-63	-173.7	168.4	0	109.1	D437 A438 I439 F521 E559	D437-K519 PolarHBondContact O-N 2.92Å; A438-K519 CarbonylContact C-O 3.59Å; A438-K519 VanDerWaalsContact CA-O 3.25Å; A438-K519 WeakPolarHBondContact CA-O 3.45Å; I439-K519 PolarHBondContact N-O 3.44Å; K519-F521 HydrophobicContact CB-CD2 4.48Å; K519-F521 HydrophobicContact CB-CE2 3.57Å; K519-F521 HydrophobicContact CB-CZ 3.97Å; K519-E559 IonicContact NZ-OE1 2.87Å
520	I	98.9	Very high	94.2	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.4	-178.6	-64.5	169.9	0	0	0	110.1	I439 F441 S455 W458	I439-I520 HydrophobicContact CB-CG1 4.24Å; I439-I520 CarbonylContact O-C 3.53Å; I439-I520 WeakPolarHBondContact O-CA 3.35Å; F441-I520 HydrophobicContact CD2-CG2 3.73Å; F441-I520 HydrophobicContact CE2-CG2 3.63Å; S455-I520 WeakPolarHBondContact CB-O 3.37Å; S455-I520 PolarHBondContact N-O 3.03Å; S455-I520 WeakPolarHBondContact OG-CB 3.43Å; S455-I520 PolarHBondContact OG-O 2.83Å; W458-I520 HydrophobicContact CD2-CD1 4.09Å; W458-I520 HydrophobicContact CE3-CD1 3.55Å; W458-I520 HydrophobicContact CE3-CG1 4.23Å; W458-I520 HydrophobicContact CH2-CD1 4.41Å; W458-I520 HydrophobicContact CZ3-CD1 3.72Å; W458-I520 HydrophobicContact CZ3-CG1 4.19Å
521	F	98.9	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.7	178.7	-58.5	-93.1	0	0	0	111	A438 I439 I440 F441 Y453 E454 K519 W549 I550 R553	A438-F521 HydrophobicContact CB-CD2 4.06Å; A438-F521 HydrophobicContact CB-CE2 3.87Å; I439-F521 PolarHBondContact O-N 3.27Å; I440-F521 WeakPolarHBondContact CA-O 3.46Å; I440-F521 HydrophobicContact CG1-CB 4.36Å; F441-F521 PolarHBondContact N-O 3.05Å; Y453-F521 CarbonylContact O-C 3.52Å; Y453-F521 VanDerWaalsContact O-CA 3.3Å; Y453-F521 WeakPolarHBondContact O-CA 3.49Å; E454-F521 HydrophobicContact CB-CD1 3.6Å; E454-F521 HydrophobicContact CB-CE1 3.56Å; E454-F521 HydrophobicContact CB-CZ 4.48Å; E454-F521 HydrophobicContact CG-CD1 3.73Å; E454-F521 HydrophobicContact CG-CE1 3.44Å; E454-F521 VanDerWaalsContact CG-CE1 3.44Å; E454-F521 HydrophobicContact CG-CG 4.44Å; E454-F521 HydrophobicContact CG-CZ 3.9Å; K519-F521 HydrophobicContact CB-CD2 4.48Å; K519-F521 HydrophobicContact CB-CE2 3.57Å; K519-F521 HydrophobicContact CB-CZ 3.97Å; F521-W549 HydrophobicContact CD1-CH2 4.42Å; F521-W549 AromaticContact CD1-CZ3 3.71Å; F521-W549 HydrophobicContact CD1-CZ3 3.71Å; F521-W549 HydrophobicContact CE1-CE3 4.32Å; F521-W549 HydrophobicContact CE1-CH2 4.22Å; F521-W549 AromaticContact CE1-CZ3 3.66Å; F521-W549 HydrophobicContact CE1-CZ3 3.66Å; F521-I550 HydrophobicContact CB-CD1 4.16Å; F521-I550 HydrophobicContact CD1-CD1 4.32Å; F521-I550 HydrophobicContact CD1-CG1 3.8Å; F521-I550 HydrophobicContact CD2-CD1 4.39Å; F521-I550 HydrophobicContact CD2-CG1 4.25Å; F521-I550 HydrophobicContact CD2-CG2 3.9Å; F521-I550 HydrophobicContact CE1-CB 4.45Å; F521-I550 HydrophobicContact CE1-CG1 3.95Å; F521-I550 HydrophobicContact CE1-CG2 4.49Å; F521-I550 HydrophobicContact CE2-CB 4.42Å; F521-I550 HydrophobicContact CE2-CG1 4.41Å; F521-I550 HydrophobicContact CE2-CG2 3.62Å; F521-I550 HydrophobicContact CG-CD1 4.04Å; F521-I550 HydrophobicContact CG-CG1 3.94Å; F521-I550 HydrophobicContact CG-CG2 4.46Å; F521-I550 HydrophobicContact CZ-CB 4.32Å; F521-I550 HydrophobicContact CZ-CG1 4.26Å; F521-I550 HydrophobicContact CZ-CG2 3.94Å; F521-R553 HydrophobicContact CE1-CB 3.97Å; F521-R553 HydrophobicContact CE1-CG 4.32Å; F521-R553 HydrophobicContact CZ-CB 3.8Å
522	H	98.9	Very high	94.2	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.7	167.2	178.3	-60.9	0	0	0	110	F441 V452 Y453 V464	F441-H522 CarbonylContact O-C 3.59Å; F441-H522 WeakPolarHBondContact O-CA 3.43Å; V452-H522 CarbonylContact C-O 3.52Å; V452-H522 VanDerWaalsContact CA-O 3.29Å; V452-H522 WeakPolarHBondContact CA-O 3.49Å; Y453-H522 HydrophobicContact CD1-CB 3.99Å; Y453-H522 HydrophobicContact CD2-CB 4.44Å; Y453-H522 HydrophobicContact CE1-CB 3.41Å; Y453-H522 VanDerWaalsContact CE1-CB 3.41Å; Y453-H522 AromaticContact CE1-CG 3.46Å; Y453-H522 VanDerWaalsContact CE1-CG 3.46Å; Y453-H522 AromaticContact CE1-ND1 3.42Å; Y453-H522 WeakPolarHBondContact CE1-ND1 3.23Å; Y453-H522 HydrophobicContact CE2-CB 3.9Å; Y453-H522 HydrophobicContact CG-CB 4.48Å; Y453-H522 AromaticContact CZ-CG 3.6Å; Y453-H522 PolarHBondContact N-O 3.19Å; Y453-H522 PolarHBondContact O-N 3.14Å; Y453-H522 WeakPolarHBondContact OH-CB 3.21Å; V464-H522 HydrophobicContact CG1-CB 3.71Å
523	V	98.8	Very high	94.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156	-179	-62.1	0	0	0	0	112.2	F293 I440 F441 G442 L451 V452 W525 V546 I550	F293-V523 HydrophobicContact CE1-CG2 3.54Å; F293-V523 HydrophobicContact CZ-CG2 3.63Å; I440-V523 HydrophobicContact CG2-CB 4.25Å; I440-V523 HydrophobicContact CG2-CG1 3.68Å; I440-V523 HydrophobicContact CG2-CG2 3.65Å; F441-V523 PolarHBondContact O-N 3.24Å; G442-V523 VanDerWaalsContact CA-O 3.27Å; G442-V523 WeakPolarHBondContact CA-O 3.43Å; L451-V523 CarbonylContact O-C 3.57Å; L451-V523 VanDerWaalsContact O-CA 3.23Å; L451-V523 WeakPolarHBondContact O-CA 3.25Å; V452-V523 HydrophobicContact CB-CG1 4.12Å; V452-V523 HydrophobicContact CG2-CG1 3.82Å; V523-W525 HydrophobicContact CB-CH2 3.73Å; V523-W525 HydrophobicContact CB-CZ2 3.7Å; V523-W525 HydrophobicContact CB-CZ3 4.16Å; V523-W525 HydrophobicContact CG1-CH2 3.7Å; V523-W525 HydrophobicContact CG1-CZ2 3.95Å; V523-W525 HydrophobicContact CG1-CZ3 4.38Å; V523-W525 HydrophobicContact CG2-CD2 4.45Å; V523-W525 HydrophobicContact CG2-CH2 4.04Å; V523-W525 HydrophobicContact CG2-CZ2 3.45Å; V523-W525 VanDerWaalsContact CG2-CZ2 3.45Å; V523-V546 HydrophobicContact CG1-CG1 4.07Å; V523-I550 HydrophobicContact CG1-CD1 4.49Å
524	N	98.3	Very high	94.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	28%	0.284	C	S	.	.			trans	-142.1	101.9	171.4	179.5	22.7	0	0	0	111.2	G443 R445 V449 P450 L451 F526	G443-N524 PolarHBondContact O-OD1 2.59Å; R445-N524 PolarHBondContact N-OD1 2.88Å; R445-N524 PolarHBondContact O-ND2 2.75Å; R445-N524 PolarHBondContact O-OD1 2.8Å; V449-N524 HydrophobicContact CB-CB 4.45Å; V449-N524 HydrophobicContact CG1-CB 4.05Å; V449-N524 PolarHBondContact O-ND2 2.94Å; P450-N524 WeakPolarHBondContact O-CB 3.41Å; L451-N524 PolarHBondContact O-N 3.03Å; N524-F526 PolarHBondContact O-N 2.9Å; N524-F526 PolarHBondContact OD1-N 2.98Å
525	W	97.3	Very high	95.4	Very high	18 Å²	18	47.9 Å²	47.9	7%	0.068	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.7	176.3	-43.4	128.8	0	0	0	113.7	F293 L451 V523 W537 N543 V546	F293-W525 AromaticContact CE2-NE1 3.84Å; F293-W525 HydrophobicContact CZ-CZ2 4.5Å; F293-W525 AromaticContact CZ-NE1 3.92Å; L451-W525 HydrophobicContact CD1-CE3 3.67Å; L451-W525 HydrophobicContact CD1-CZ3 3.79Å; V523-W525 HydrophobicContact CB-CH2 3.73Å; V523-W525 HydrophobicContact CB-CZ2 3.7Å; V523-W525 HydrophobicContact CB-CZ3 4.16Å; V523-W525 HydrophobicContact CG1-CH2 3.7Å; V523-W525 HydrophobicContact CG1-CZ2 3.95Å; V523-W525 HydrophobicContact CG1-CZ3 4.38Å; V523-W525 HydrophobicContact CG2-CD2 4.45Å; V523-W525 HydrophobicContact CG2-CH2 4.04Å; V523-W525 HydrophobicContact CG2-CZ2 3.45Å; V523-W525 VanDerWaalsContact CG2-CZ2 3.45Å; W525-W537 AromaticContact CE3-CD1 3.96Å; W525-N543 VanDerWaalsContact CE3-OD1 3.24Å; W525-N543 HydrophobicContact CH2-CB 4.14Å; W525-N543 HydrophobicContact CZ2-CB 4.38Å; W525-N543 HydrophobicContact CZ3-CB 4.29Å; W525-V546 HydrophobicContact CH2-CB 3.93Å; W525-V546 HydrophobicContact CH2-CG1 3.73Å; W525-V546 HydrophobicContact CH2-CG2 4.39Å; W525-V546 HydrophobicContact CZ3-CB 3.95Å; W525-V546 HydrophobicContact CZ3-CG1 3.97Å; W525-V546 HydrophobicContact CZ3-CG2 3.89Å
526	F	96.2	Very high	95.5	Very high	30 Å²	30	47 Å²	47	13%	0.132	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	10.5	-157.9	-56.9	-79.8	0	0	0	113.8	R444 R445 N524 K528 F535	R444-F526 HydrophobicContact CB-CB 4.33Å; R444-F526 HydrophobicContact CB-CD2 4.12Å; R444-F526 HydrophobicContact CB-CG 4.16Å; R444-F526 HydrophobicContact CG-CB 4.39Å; R444-F526 HydrophobicContact CG-CD1 3.96Å; R444-F526 HydrophobicContact CG-CD2 3.6Å; R444-F526 HydrophobicContact CG-CE1 4.08Å; R444-F526 HydrophobicContact CG-CE2 3.71Å; R444-F526 HydrophobicContact CG-CG 3.71Å; R444-F526 HydrophobicContact CG-CZ 3.95Å; R445-F526 CarbonylContact O-C 3.41Å; N524-F526 PolarHBondContact O-N 2.9Å; N524-F526 PolarHBondContact OD1-N 2.98Å; F526-K528 PolarHBondContact O-N 3.46Å; F526-F535 HydrophobicContact CB-CE1 4.15Å; F526-F535 HydrophobicContact CD1-CE1 4.04Å; F526-F535 HydrophobicContact CD1-CZ 4.41Å
527	R	96.3	Very high	95.6	Very high	17 Å²	17	42.2 Å²	42.2	6%	0.064	25%	0.253	C	S	.	.			trans	-60.4	136.4	173.8	-162.9	176.7	176.9	155.5	0.7	109.6	R445 L536 A590 L591 D593	R445-R527 WeakPolarHBondContact O-CA 3.33Å; R445-R527 PolarHBondContact O-N 3.28Å; R527-L536 HydrophobicContact CB-CD1 4.28Å; R527-L536 HydrophobicContact CG-CD1 3.79Å; R527-L536 PolarHBondContact O-N 2.71Å; R527-A590 PolarHBondContact NE-O 2.76Å; R527-A590 VanDerWaalsContact NE-O 3.1Å; R527-A590 PolarHBondContact NH1-O 2.94Å; R527-A590 PolarHBondContact NH2-O 3.39Å; R527-L591 PolarHBondContact NH1-O 3.46Å; R527-D593 PolarHBondContact NH1-O 2.98Å; R527-D593 PolarHBondContact NH2-O 3.05Å; R527-D593 IonicContact NH2-OD2 2.85Å; R527-D593 PolarHBondContact NH2-OD2 2.71Å
528	K	95	Very high	95.4	Very high	51 Å²	51	42.5 Å²	42.5	22%	0.222	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-114.6	149.4	-178.2	-69.2	175.7	-178.8	170.5	0	111.1	P446 F526 P530 G533 A534 F535	P446-K528 HydrophobicContact CB-CD 4.18Å; P446-K528 HydrophobicContact CB-CG 4.47Å; P446-K528 PolarHBondContact O-N 2.98Å; F526-K528 PolarHBondContact O-N 3.46Å; K528-P530 WeakPolarHBondContact O-CD 3.31Å; K528-G533 WeakPolarHBondContact CD-O 3.43Å; K528-A534 CarbonylContact C-O 3.59Å; K528-A534 WeakPolarHBondContact CA-O 3.39Å; K528-A534 WeakPolarHBondContact CB-O 3.46Å; K528-F535 HydrophobicContact CG-CD1 3.94Å; K528-F535 HydrophobicContact CG-CE1 4.17Å
529	D	92.3	Very high	95.3	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.273	26%	0.26	S	S	.	.			trans	-68.7	123.7	166	-179.9	-83.8	0	0	0	108.9	A531 T532 G533 A534 L536	D529-A531 VanDerWaalsContact C-N 3.27Å; D529-A531 PolarHBondContact O-N 2.7Å; D529-A531 WeakPolarHBondContact OD1-CA 3.5Å; D529-A531 WeakPolarHBondContact OD1-CB 3.31Å; D529-A531 PolarHBondContact OD1-N 2.88Å; D529-T532 VanDerWaalsContact CB-OG1 3.31Å; D529-T532 WeakPolarHBondContact CB-OG1 3.22Å; D529-T532 PolarHBondContact OD1-N 3.45Å; D529-T532 PolarHBondContact OD1-OG1 3.49Å; D529-G533 VanDerWaalsContact O-CA 3.23Å; D529-G533 WeakPolarHBondContact O-CA 3.49Å; D529-G533 PolarHBondContact O-N 3.04Å; D529-A534 PolarHBondContact N-O 2.85Å; D529-L536 HydrophobicContact CB-CD2 3.68Å; D529-L536 HydrophobicContact CB-CG 4.44Å
530	P	88.9	Confident	95.1	Very high	134 Å²	134	43.7 Å²	43.7	87%	0.87	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.8	-178.4	-23.9	34.6	0	0	0	114.3	K528	K528-P530 WeakPolarHBondContact O-CD 3.31Å
531	A	90.9	Very high	94.9	Very high	97 Å²	97	44.4 Å²	44.4	80%	0.802	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-38.2	-176.2	0	0	0	0	0	112.3	D529	D529-A531 VanDerWaalsContact C-N 3.27Å; D529-A531 PolarHBondContact O-N 2.7Å; D529-A531 WeakPolarHBondContact OD1-CA 3.5Å; D529-A531 WeakPolarHBondContact OD1-CB 3.31Å; D529-A531 PolarHBondContact OD1-N 2.88Å
532	T	92.1	Very high	94.8	Very high	103 Å²	103	46.5 Å²	46.5	63%	0.632	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-20.7	-175	63.8	0	0	0	0	113.4	D529 A534	D529-T532 VanDerWaalsContact CB-OG1 3.31Å; D529-T532 WeakPolarHBondContact CB-OG1 3.22Å; D529-T532 PolarHBondContact OD1-N 3.45Å; D529-T532 PolarHBondContact OD1-OG1 3.49Å; T532-A534 PolarHBondContact O-N 3.16Å; T532-A534 WeakPolarHBondContact OG1-CB 3.3Å; T532-A534 PolarHBondContact OG1-N 3.21Å
533	G	91.7	Very high	94.7	Very high	45 Å²	45	46.6 Å²	46.6	46%	0.464	28%	0.284	S	S	.	.			trans	71.2	3.6	-172.1	0	0	0	0	0	114.4	K528 D529	K528-G533 WeakPolarHBondContact CD-O 3.43Å; D529-G533 VanDerWaalsContact O-CA 3.23Å; D529-G533 WeakPolarHBondContact O-CA 3.49Å; D529-G533 PolarHBondContact O-N 3.04Å
534	A	92.6	Very high	94.7	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	28%	0.284	S	S	.	.			trans	-74.2	153.8	178.1	0	0	0	0	0	111.4	K528 D529 T532	K528-A534 CarbonylContact C-O 3.59Å; K528-A534 WeakPolarHBondContact CA-O 3.39Å; K528-A534 WeakPolarHBondContact CB-O 3.46Å; D529-A534 PolarHBondContact N-O 2.85Å; T532-A534 PolarHBondContact O-N 3.16Å; T532-A534 WeakPolarHBondContact OG1-CB 3.3Å; T532-A534 PolarHBondContact OG1-N 3.21Å
535	F	94.6	Very high	94.7	Very high	113 Å²	113	46.9 Å²	46.9	50%	0.496	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-68	133.1	172.3	-67.3	-66	0	0	0	110.5	F526 K528 W537	F526-F535 HydrophobicContact CB-CE1 4.15Å; F526-F535 HydrophobicContact CD1-CE1 4.04Å; F526-F535 HydrophobicContact CD1-CZ 4.41Å; K528-F535 HydrophobicContact CG-CD1 3.94Å; K528-F535 HydrophobicContact CG-CE1 4.17Å; F535-W537 VanDerWaalsContact C-N 3.3Å
536	L	95.5	Very high	94.8	Very high	24 Å²	24	46 Å²	46	13%	0.126	28%	0.282	C	S	.	.	S	Bend	trans	-73	-25.8	176.3	-67.9	177.9	0	0	0	112.3	R527 D529 A590 L591	R527-L536 HydrophobicContact CB-CD1 4.28Å; R527-L536 HydrophobicContact CG-CD1 3.79Å; R527-L536 PolarHBondContact O-N 2.71Å; D529-L536 HydrophobicContact CB-CD2 3.68Å; D529-L536 HydrophobicContact CB-CG 4.44Å; L536-A590 HydrophobicContact CD1-CB 4.03Å; L536-L591 HydrophobicContact CB-CD2 3.54Å; L536-L591 HydrophobicContact CB-CG 4.04Å; L536-L591 HydrophobicContact CD1-CD2 4.44Å
537	W	96.3	Very high	94.9	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.019	28%	0.276	C	S	.	.	S	Bend	trans	-113.6	132.4	-178.8	-173.5	-113.7	0	0	0	110.9	L451 W525 F535 G539 E542 N543 R545 V546 L582 V586 L591	L451-W537 HydrophobicContact CD1-CB 4.13Å; L451-W537 HydrophobicContact CD1-CD2 3.89Å; L451-W537 HydrophobicContact CD1-CG 3.67Å; L451-W537 HydrophobicContact CD2-CD2 3.82Å; L451-W537 HydrophobicContact CD2-CE3 3.7Å; L451-W537 HydrophobicContact CD2-CG 4.44Å; L451-W537 HydrophobicContact CD2-CH2 4.2Å; L451-W537 HydrophobicContact CD2-CZ2 4.29Å; L451-W537 HydrophobicContact CD2-CZ3 3.91Å; W525-W537 AromaticContact CE3-CD1 3.96Å; F535-W537 VanDerWaalsContact C-N 3.3Å; W537-G539 VanDerWaalsContact C-N 3.27Å; W537-G539 VanDerWaalsContact CD1-N 3.25Å; W537-G539 PolarHBondContact O-N 3.18Å; W537-E542 HydrophobicContact CZ2-CB 4.06Å; W537-E542 WeakPolarHBondContact CZ2-O 3.44Å; W537-N543 PolarHBondContact NE1-OD1 3.35Å; W537-R545 HydrophobicContact CH2-CB 4.32Å; W537-R545 HydrophobicContact CZ2-CB 4.45Å; W537-V546 HydrophobicContact CZ2-CG2 4.21Å; W537-L582 HydrophobicContact CH2-CD1 4.01Å; W537-L582 HydrophobicContact CZ3-CD1 3.85Å; W537-V586 HydrophobicContact CE3-CG1 4.18Å; W537-V586 HydrophobicContact CZ3-CG1 4.32Å; W537-L591 HydrophobicContact CB-CD2 3.99Å; W537-L591 HydrophobicContact CE3-CD1 3.77Å; W537-L591 HydrophobicContact CZ3-CD1 4.37Å
538	P	94.1	Very high	95	Very high	64 Å²	64	45 Å²	45	42%	0.416	28%	0.278	S	S	.	.			trans	-66.3	-24.3	-179.7	23.4	-34.1	0	0	0	114.4	F540 E542 L582	P538-F540 WeakPolarHBondContact O-CD2 3.39Å; P538-E542 HydrophobicContact CB-CG 4.06Å; P538-E542 HydrophobicContact CG-CB 3.86Å; P538-E542 HydrophobicContact CG-CG 3.7Å; P538-L582 HydrophobicContact CG-CD2 4.01Å
539	G	94.6	Very high	95.1	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	27%	0.268	C	S	.	.			trans	71.1	-158.6	176.1	0	0	0	0	0	114.4	W537 G541 E542 N543	W537-G539 VanDerWaalsContact C-N 3.27Å; W537-G539 VanDerWaalsContact CD1-N 3.25Å; W537-G539 PolarHBondContact O-N 3.18Å; G539-G541 PolarHBondContact O-N 3.17Å; G539-E542 WeakPolarHBondContact O-CB 3.39Å; G539-E542 PolarHBondContact O-N 2.77Å; G539-N543 WeakPolarHBondContact CA-OD1 3.46Å
540	F	94.4	Very high	95.4	Very high	92 Å²	92	40.3 Å²	40.3	40%	0.404	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	49.4	-125.6	176.9	-52.5	-73.2	0	0	0	112.5	T352 P538 E542 N543	T352-F540 VanDerWaalsContact CB-CE1 3.42Å; T352-F540 HydrophobicContact CG2-CD1 4.03Å; T352-F540 HydrophobicContact CG2-CE1 3.48Å; T352-F540 VanDerWaalsContact CG2-CE1 3.48Å; T352-F540 HydrophobicContact CG2-CE2 4.13Å; T352-F540 HydrophobicContact CG2-CZ 3.53Å; T352-F540 WeakPolarHBondContact O-CD1 3.31Å; P538-F540 WeakPolarHBondContact O-CD2 3.39Å; F540-E542 PolarHBondContact O-N 3.14Å; F540-N543 VanDerWaalsContact O-CB 3.25Å; F540-N543 WeakPolarHBondContact O-CB 3.37Å; F540-N543 PolarHBondContact O-N 3.44Å
541	G	95.8	Very high	95.9	Very high	18 Å²	18	34.6 Å²	34.6	19%	0.186	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.2	-179.5	0	0	0	0	0	114.6	K306 A308 G539 N543 A544	K306-G541 WeakPolarHBondContact O-CA 3.45Å; A308-G541 WeakPolarHBondContact CB-O 3.42Å; A308-G541 PolarHBondContact N-O 2.8Å; G539-G541 PolarHBondContact O-N 3.17Å; G541-N543 PolarHBondContact O-N 2.81Å; G541-A544 VanDerWaalsContact O-CB 3.27Å; G541-A544 WeakPolarHBondContact O-CB 3.39Å; G541-A544 PolarHBondContact O-N 2.88Å
542	E	96.3	Very high	96.2	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.201	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-72.2	-20.5	177.7	-55.7	-60.6	162.7	0	0	112	A308 W537 P538 G539 F540 A544 R545 L582	A308-E542 HydrophobicContact CB-CG 4.32Å; A308-E542 VanDerWaalsContact CB-OE1 3.25Å; A308-E542 WeakPolarHBondContact CB-OE1 3.34Å; A308-E542 WeakPolarHBondContact CB-OE2 3.48Å; W537-E542 HydrophobicContact CZ2-CB 4.06Å; W537-E542 WeakPolarHBondContact CZ2-O 3.44Å; P538-E542 HydrophobicContact CB-CG 4.06Å; P538-E542 HydrophobicContact CG-CB 3.86Å; P538-E542 HydrophobicContact CG-CG 3.7Å; G539-E542 WeakPolarHBondContact O-CB 3.39Å; G539-E542 PolarHBondContact O-N 2.77Å; F540-E542 PolarHBondContact O-N 3.14Å; E542-A544 PolarHBondContact O-N 3.3Å; E542-R545 WeakPolarHBondContact O-CB 3.34Å; E542-R545 WeakPolarHBondContact O-CG 3.41Å; E542-R545 PolarHBondContact O-N 3.32Å; E542-R545 IonicContact OE2-CZ 2.88Å; E542-R545 IonicContact OE2-NE 3.88Å; E542-R545 PolarHBondContact OE2-NE 3.19Å; E542-R545 IonicContact OE2-NH2 2.66Å; E542-R545 PolarHBondContact OE2-NH2 3.29Å; E542-L582 HydrophobicContact CB-CD2 4.17Å; E542-L582 HydrophobicContact CG-CD2 3.88Å; E542-L582 VanDerWaalsContact OE2-CD2 3.25Å; E542-L582 WeakPolarHBondContact OE2-CD2 3.38Å
543	N	97.8	Very high	96.5	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.059	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.3	-18.4	173.1	-68.1	-14.5	0	0	0	112.5	L302 M305 W525 W537 G539 F540 G541 R545 V546 L547	L302-N543 HydrophobicContact CD1-CB 4.1Å; M305-N543 HydrophobicContact SD-CB 3.91Å; W525-N543 VanDerWaalsContact CE3-OD1 3.24Å; W525-N543 HydrophobicContact CH2-CB 4.14Å; W525-N543 HydrophobicContact CZ2-CB 4.38Å; W525-N543 HydrophobicContact CZ3-CB 4.29Å; W537-N543 PolarHBondContact NE1-OD1 3.35Å; G539-N543 WeakPolarHBondContact CA-OD1 3.46Å; F540-N543 VanDerWaalsContact O-CB 3.25Å; F540-N543 WeakPolarHBondContact O-CB 3.37Å; F540-N543 PolarHBondContact O-N 3.44Å; G541-N543 PolarHBondContact O-N 2.81Å; N543-R545 PolarHBondContact O-N 3.48Å; N543-V546 PolarHBondContact O-N 2.94Å; N543-L547 PolarHBondContact O-N 3.48Å
544	A	97.9	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.4	-30.8	170.6	0	0	0	0	0	113.3	M305 P307 I309 G541 E542 V546 L547 E548	M305-A544 HydrophobicContact CE-CB 3.63Å; M305-A544 HydrophobicContact SD-CB 4.23Å; P307-A544 HydrophobicContact CB-CB 3.77Å; I309-A544 HydrophobicContact CD1-CB 3.87Å; I309-A544 HydrophobicContact CG1-CB 3.76Å; G541-A544 VanDerWaalsContact O-CB 3.27Å; G541-A544 WeakPolarHBondContact O-CB 3.39Å; G541-A544 PolarHBondContact O-N 2.88Å; E542-A544 PolarHBondContact O-N 3.3Å; A544-V546 VanDerWaalsContact C-N 3.33Å; A544-V546 PolarHBondContact O-N 2.91Å; A544-L547 PolarHBondContact O-N 3.37Å; A544-E548 WeakPolarHBondContact O-CB 3.38Å; A544-E548 PolarHBondContact O-N 2.98Å
545	R	98	Very high	96.8	Very high	8 Å²	8	28 Å²	28	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-35.1	176.4	-63	162.2	-177.5	-66.7	-5.2	112.3	I309 W537 E542 N543 W549 I577 D578 K580	I309-R545 HydrophobicContact CG2-CG 3.66Å; W537-R545 HydrophobicContact CH2-CB 4.32Å; W537-R545 HydrophobicContact CZ2-CB 4.45Å; E542-R545 WeakPolarHBondContact O-CB 3.34Å; E542-R545 WeakPolarHBondContact O-CG 3.41Å; E542-R545 PolarHBondContact O-N 3.32Å; E542-R545 IonicContact OE2-CZ 2.88Å; E542-R545 IonicContact OE2-NE 3.88Å; E542-R545 PolarHBondContact OE2-NE 3.19Å; E542-R545 IonicContact OE2-NH2 2.66Å; E542-R545 PolarHBondContact OE2-NH2 3.29Å; N543-R545 PolarHBondContact O-N 3.48Å; R545-W549 PolarHBondContact O-N 2.92Å; R545-I577 HydrophobicContact CB-CG2 4.15Å; R545-D578 WeakPolarHBondContact CD-O 3.38Å; R545-D578 WeakPolarHBondContact CG-O 3.34Å; R545-D578 VanDerWaalsContact NH1-CG 3.29Å; R545-D578 PolarHBondContact NH1-O 3.04Å; R545-D578 IonicContact NH1-OD1 2.71Å; R545-D578 IonicContact NH1-OD2 3.04Å; R545-D578 PolarHBondContact NH1-OD2 2.84Å; R545-K580 VanDerWaalsContact CZ-O 3.29Å; R545-K580 PolarHBondContact NH1-O 2.79Å; R545-K580 VanDerWaalsContact NH1-O 3.11Å; R545-K580 PolarHBondContact NH2-O 2.83Å
546	V	98.6	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-74.9	-40.1	174.4	174.3	0	0	0	0	110.5	L451 V452 V523 W525 W537 N543 A544 E548 W549 I550 I577	L451-V546 HydrophobicContact CD1-CG2 4.3Å; L451-V546 HydrophobicContact CD2-CG2 3.73Å; L451-V546 HydrophobicContact CG-CG2 3.88Å; V452-V546 HydrophobicContact CB-CG1 3.68Å; V452-V546 HydrophobicContact CG1-CG1 3.92Å; V452-V546 HydrophobicContact CG2-CG1 3.85Å; V523-V546 HydrophobicContact CG1-CG1 4.07Å; W525-V546 HydrophobicContact CH2-CB 3.93Å; W525-V546 HydrophobicContact CH2-CG1 3.73Å; W525-V546 HydrophobicContact CH2-CG2 4.39Å; W525-V546 HydrophobicContact CZ3-CB 3.95Å; W525-V546 HydrophobicContact CZ3-CG1 3.97Å; W525-V546 HydrophobicContact CZ3-CG2 3.89Å; W537-V546 HydrophobicContact CZ2-CG2 4.21Å; N543-V546 PolarHBondContact O-N 2.94Å; A544-V546 VanDerWaalsContact C-N 3.33Å; A544-V546 PolarHBondContact O-N 2.91Å; V546-E548 VanDerWaalsContact C-N 3.3Å; V546-E548 PolarHBondContact O-N 2.98Å; V546-W549 PolarHBondContact O-N 3.32Å; V546-I550 HydrophobicContact CG1-CD1 4.24Å; V546-I550 WeakPolarHBondContact O-CG1 3.35Å; V546-I550 PolarHBondContact O-N 2.84Å; V546-I577 HydrophobicContact CG2-CD1 4.43Å
547	L	98.7	Very high	96.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-34	173.4	-64.7	-173.9	0	0	0	112.4	L277 I279 L302 M305 I440 N543 A544 I550 F551	L277-L547 HydrophobicContact CD1-CD1 4.34Å; L277-L547 HydrophobicContact CD2-CD1 4.31Å; I279-L547 HydrophobicContact CD1-CB 3.48Å; I279-L547 VanDerWaalsContact CD1-CB 3.48Å; I279-L547 HydrophobicContact CD1-CD1 3.98Å; I279-L547 HydrophobicContact CD1-CG 4.4Å; L302-L547 HydrophobicContact CD1-CD1 4Å; L302-L547 HydrophobicContact CD1-CG 4.44Å; M305-L547 HydrophobicContact CE-CD1 3.72Å; I440-L547 HydrophobicContact CD1-CD2 3.78Å; N543-L547 PolarHBondContact O-N 3.48Å; A544-L547 PolarHBondContact O-N 3.37Å; L547-I550 HydrophobicContact CD2-CD1 4.37Å; L547-I550 PolarHBondContact O-N 3.34Å; L547-F551 VanDerWaalsContact O-CB 3.23Å; L547-F551 WeakPolarHBondContact O-CB 3.4Å; L547-F551 PolarHBondContact O-N 3.41Å
548	E	98.3	Very high	96.5	Very high	24 Å²	24	39 Å²	39	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-46.7	171.8	163	176.4	-164.8	0	0	111.2	I309 W312 A544 V546 F551 K552	I309-E548 HydrophobicContact CD1-CB 4.15Å; W312-E548 HydrophobicContact CH2-CB 3.86Å; W312-E548 HydrophobicContact CH2-CG 3.99Å; W312-E548 HydrophobicContact CZ2-CB 3.59Å; W312-E548 HydrophobicContact CZ2-CG 3.45Å; W312-E548 VanDerWaalsContact CZ2-CG 3.45Å; W312-E548 HydrophobicContact CZ3-CB 4.49Å; A544-E548 WeakPolarHBondContact O-CB 3.38Å; A544-E548 PolarHBondContact O-N 2.98Å; V546-E548 VanDerWaalsContact C-N 3.3Å; V546-E548 PolarHBondContact O-N 2.98Å; E548-F551 WeakPolarHBondContact O-CB 3.48Å; E548-F551 PolarHBondContact O-N 3.4Å; E548-K552 HydrophobicContact CG-CD 4.42Å; E548-K552 WeakPolarHBondContact O-CG 3.15Å; E548-K552 PolarHBondContact O-N 3.43Å; E548-K552 VanDerWaalsContact OE1-CE 3.27Å; E548-K552 WeakPolarHBondContact OE1-CE 3.15Å; E548-K552 IonicContact OE1-NZ 2.8Å; E548-K552 PolarHBondContact OE1-NZ 3.18Å
549	W	98.6	Very high	96.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-45.6	177.1	179.5	82.7	0	0	0	111.3	V452 E454 F521 R545 V546 F551 K552 R553 A562 A563 P572 I577	V452-W549 HydrophobicContact CG1-CE3 3.96Å; V452-W549 HydrophobicContact CG1-CZ3 4.08Å; V452-W549 HydrophobicContact CG2-CE3 3.95Å; V452-W549 HydrophobicContact CG2-CZ3 3.65Å; E454-W549 HydrophobicContact CB-CH2 4.1Å; F521-W549 HydrophobicContact CD1-CH2 4.42Å; F521-W549 AromaticContact CD1-CZ3 3.71Å; F521-W549 HydrophobicContact CD1-CZ3 3.71Å; F521-W549 HydrophobicContact CE1-CE3 4.32Å; F521-W549 HydrophobicContact CE1-CH2 4.22Å; F521-W549 AromaticContact CE1-CZ3 3.66Å; F521-W549 HydrophobicContact CE1-CZ3 3.66Å; R545-W549 PolarHBondContact O-N 2.92Å; V546-W549 PolarHBondContact O-N 3.32Å; W549-F551 VanDerWaalsContact C-N 3.28Å; W549-F551 PolarHBondContact O-N 3.04Å; W549-K552 PolarHBondContact O-N 2.66Å; W549-R553 HydrophobicContact CD2-CG 3.85Å; W549-R553 HydrophobicContact CE3-CG 4.16Å; W549-R553 HydrophobicContact CG-CG 4.42Å; W549-R553 HydrophobicContact CH2-CG 4.09Å; W549-R553 HydrophobicContact CZ2-CG 3.76Å; W549-R553 HydrophobicContact CZ3-CG 4.26Å; W549-R553 WeakPolarHBondContact O-CB 3.25Å; W549-R553 VanDerWaalsContact O-CG 3.26Å; W549-R553 WeakPolarHBondContact O-CG 3.42Å; W549-R553 PolarHBondContact O-N 2.98Å; W549-A562 PolarHBondContact NE1-O 2.88Å; W549-A563 HydrophobicContact CZ2-CB 3.9Å; W549-P572 HydrophobicContact CD2-CB 4.44Å; W549-P572 HydrophobicContact CD2-CG 3.89Å; W549-P572 HydrophobicContact CE3-CG 4.3Å; W549-P572 HydrophobicContact CG-CG 4.35Å; W549-P572 HydrophobicContact CH2-CG 4.27Å; W549-P572 HydrophobicContact CZ2-CB 4.31Å; W549-P572 HydrophobicContact CZ2-CG 3.85Å; W549-P572 HydrophobicContact CZ3-CG 4.48Å; W549-I577 HydrophobicContact CB-CD1 3.52Å; W549-I577 HydrophobicContact CG-CD1 3.88Å
550	I	98.8	Very high	96	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-43.5	173.9	-70.3	175.7	0	0	0	111.2	A438 I440 V452 F521 V523 V546 L547 K552 R553 C554	A438-I550 HydrophobicContact CB-CG2 3.85Å; I440-I550 HydrophobicContact CD1-CD1 3.47Å; I440-I550 VanDerWaalsContact CD1-CD1 3.47Å; I440-I550 HydrophobicContact CG1-CD1 4.03Å; V452-I550 HydrophobicContact CG2-CD1 4.29Å; V452-I550 HydrophobicContact CG2-CG1 4.42Å; F521-I550 HydrophobicContact CB-CD1 4.16Å; F521-I550 HydrophobicContact CD1-CD1 4.32Å; F521-I550 HydrophobicContact CD1-CG1 3.8Å; F521-I550 HydrophobicContact CD2-CD1 4.39Å; F521-I550 HydrophobicContact CD2-CG1 4.25Å; F521-I550 HydrophobicContact CD2-CG2 3.9Å; F521-I550 HydrophobicContact CE1-CB 4.45Å; F521-I550 HydrophobicContact CE1-CG1 3.95Å; F521-I550 HydrophobicContact CE1-CG2 4.49Å; F521-I550 HydrophobicContact CE2-CB 4.42Å; F521-I550 HydrophobicContact CE2-CG1 4.41Å; F521-I550 HydrophobicContact CE2-CG2 3.62Å; F521-I550 HydrophobicContact CG-CD1 4.04Å; F521-I550 HydrophobicContact CG-CG1 3.94Å; F521-I550 HydrophobicContact CG-CG2 4.46Å; F521-I550 HydrophobicContact CZ-CB 4.32Å; F521-I550 HydrophobicContact CZ-CG1 4.26Å; F521-I550 HydrophobicContact CZ-CG2 3.94Å; V523-I550 HydrophobicContact CG1-CD1 4.49Å; V546-I550 HydrophobicContact CG1-CD1 4.24Å; V546-I550 WeakPolarHBondContact O-CG1 3.35Å; V546-I550 PolarHBondContact O-N 2.84Å; L547-I550 HydrophobicContact CD2-CD1 4.37Å; L547-I550 PolarHBondContact O-N 3.34Å; I550-K552 PolarHBondContact O-N 2.77Å; I550-R553 PolarHBondContact O-N 3.02Å; I550-C554 PolarHBondContact O-N 2.79Å; I550-C554 PolarHBondContact O-SG 2.62Å
551	F	98.6	Very high	96	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-46.9	178.8	-175.2	-75.5	0	0	0	111.6	I279 N281 V285 R287 W312 L547 E548 W549 C554 G555	I279-F551 HydrophobicContact CG2-CD2 3.92Å; N281-F551 HydrophobicContact CB-CE1 3.99Å; N281-F551 HydrophobicContact CB-CE2 4.33Å; N281-F551 HydrophobicContact CB-CZ 3.85Å; N281-F551 WeakPolarHBondContact ND2-CE1 3.18Å; V285-F551 HydrophobicContact CB-CZ 3.91Å; V285-F551 HydrophobicContact CG1-CE1 4.43Å; V285-F551 HydrophobicContact CG1-CZ 3.79Å; V285-F551 WeakPolarHBondContact O-CE2 3.45Å; V285-F551 VanDerWaalsContact O-CZ 3.26Å; V285-F551 WeakPolarHBondContact O-CZ 3.36Å; R287-F551 HydrophobicContact CB-CD2 3.92Å; R287-F551 HydrophobicContact CB-CE2 3.77Å; R287-F551 HydrophobicContact CG-CD2 3.81Å; R287-F551 HydrophobicContact CG-CE2 3.42Å; R287-F551 VanDerWaalsContact CG-CE2 3.42Å; R287-F551 HydrophobicContact CG-CZ 3.83Å; R287-F551 PolarHBondContact NE-O 3.2Å; W312-F551 HydrophobicContact CH2-CB 3.86Å; W312-F551 AromaticContact CH2-CD1 3.94Å; W312-F551 HydrophobicContact CH2-CD1 3.94Å; W312-F551 HydrophobicContact CH2-CD2 4.2Å; W312-F551 AromaticContact CH2-CG 3.74Å; W312-F551 HydrophobicContact CH2-CG 3.74Å; W312-F551 HydrophobicContact CZ3-CB 4.01Å; W312-F551 HydrophobicContact CZ3-CD1 4.37Å; W312-F551 AromaticContact CZ3-CD2 3.8Å; W312-F551 HydrophobicContact CZ3-CD2 3.8Å; W312-F551 HydrophobicContact CZ3-CE2 4.34Å; W312-F551 AromaticContact CZ3-CG 3.81Å; W312-F551 HydrophobicContact CZ3-CG 3.81Å; L547-F551 VanDerWaalsContact O-CB 3.23Å; L547-F551 WeakPolarHBondContact O-CB 3.4Å; L547-F551 PolarHBondContact O-N 3.41Å; E548-F551 WeakPolarHBondContact O-CB 3.48Å; E548-F551 PolarHBondContact O-N 3.4Å; W549-F551 VanDerWaalsContact C-N 3.28Å; W549-F551 PolarHBondContact O-N 3.04Å; F551-C554 PolarHBondContact O-N 2.72Å; F551-G555 PolarHBondContact O-N 3.2Å
552	K	97.5	Very high	95.9	Very high	92 Å²	92	43.3 Å²	43.3	40%	0.4	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-46.1	176.2	-69	174	-172.8	168.8	0	110.9	E548 W549 I550 C554 G555 R556	E548-K552 HydrophobicContact CG-CD 4.42Å; E548-K552 WeakPolarHBondContact O-CG 3.15Å; E548-K552 PolarHBondContact O-N 3.43Å; E548-K552 VanDerWaalsContact OE1-CE 3.27Å; E548-K552 WeakPolarHBondContact OE1-CE 3.15Å; E548-K552 IonicContact OE1-NZ 2.8Å; E548-K552 PolarHBondContact OE1-NZ 3.18Å; W549-K552 PolarHBondContact O-N 2.66Å; I550-K552 PolarHBondContact O-N 2.77Å; K552-C554 PolarHBondContact O-N 2.81Å; K552-G555 CarbonylContact O-C 3.11Å; K552-G555 WeakPolarHBondContact O-CA 3.33Å; K552-G555 PolarHBondContact O-N 2.94Å; K552-R556 PolarHBondContact O-N 3.43Å; K552-R556 VanDerWaalsContact O-N 3.12Å
553	R	98.1	Very high	96	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-34.4	177.1	-69	-61.2	-61	167.4	-2.9	112.8	E454 F521 W549 I550 G555 R556 E559 E561	E454-R553 IonicContact OE2-CZ 3.96Å; E454-R553 IonicContact OE2-NE 3.39Å; E454-R553 PolarHBondContact OE2-NE 3Å; E454-R553 IonicContact OE2-NH2 3.88Å; E454-R553 PolarHBondContact OE2-NH2 3.39Å; F521-R553 HydrophobicContact CE1-CB 3.97Å; F521-R553 HydrophobicContact CE1-CG 4.32Å; F521-R553 HydrophobicContact CZ-CB 3.8Å; W549-R553 HydrophobicContact CD2-CG 3.85Å; W549-R553 HydrophobicContact CE3-CG 4.16Å; W549-R553 HydrophobicContact CG-CG 4.42Å; W549-R553 HydrophobicContact CH2-CG 4.09Å; W549-R553 HydrophobicContact CZ2-CG 3.76Å; W549-R553 HydrophobicContact CZ3-CG 4.26Å; W549-R553 WeakPolarHBondContact O-CB 3.25Å; W549-R553 VanDerWaalsContact O-CG 3.26Å; W549-R553 WeakPolarHBondContact O-CG 3.42Å; W549-R553 PolarHBondContact O-N 2.98Å; I550-R553 PolarHBondContact O-N 3.02Å; R553-G555 VanDerWaalsContact C-N 3.27Å; R553-G555 PolarHBondContact O-N 2.94Å; R553-R556 WeakPolarHBondContact O-CD 3.27Å; R553-R556 VanDerWaalsContact O-CG 3.26Å; R553-R556 WeakPolarHBondContact O-CG 3.43Å; R553-R556 PolarHBondContact O-N 2.81Å; R553-R556 PolarHBondContact O-NH1 3.22Å; R553-E559 PolarHBondContact NH1-O 2.81Å; R553-E559 PolarHBondContact NH2-O 2.93Å; R553-E559 IonicContact NH2-OE2 3.08Å; R553-E561 WeakPolarHBondContact CD-O 3.34Å; R553-E561 PolarHBondContact NH1-O 3.1Å
554	C	97.3	Very high	95.9	Very high	25 Å²	25	44.6 Å²	44.6	17%	0.169	22%	0.216	C	C	.	.	H	α-helix	trans	-69.3	-23.7	175.4	-66.2	0	0	0	0	113.7	D437 I550 F551 K552	D437-C554 HydrophobicContact CB-CB 4.37Å; I550-C554 PolarHBondContact O-N 2.79Å; I550-C554 PolarHBondContact O-SG 2.62Å; F551-C554 PolarHBondContact O-N 2.72Å; K552-C554 PolarHBondContact O-N 2.81Å
555	G	93.9	Very high	95.9	Very high	41 Å²	41	51.7 Å²	51.7	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	8.1	178.4	0	0	0	0	0	114.8	R287 F551 K552 R553	R287-G555 VanDerWaalsContact NH2-CA 3.31Å; F551-G555 PolarHBondContact O-N 3.2Å; K552-G555 CarbonylContact O-C 3.11Å; K552-G555 WeakPolarHBondContact O-CA 3.33Å; K552-G555 PolarHBondContact O-N 2.94Å; R553-G555 VanDerWaalsContact C-N 3.27Å; R553-G555 PolarHBondContact O-N 2.94Å
556	R	94.9	Very high	95.9	Very high	31 Å²	31	52.5 Å²	52.5	12%	0.117	25%	0.254	C	S	.	.			trans	-62.2	147.5	-175.5	72.9	-172.7	177.2	-108.3	17.2	112.3	E454 K552 R553 R558 E559 E561	E454-R556 VanDerWaalsContact CD-NH1 3.29Å; E454-R556 IonicContact OE1-CZ 3.96Å; E454-R556 IonicContact OE1-NH1 2.73Å; E454-R556 PolarHBondContact OE1-NH1 3.28Å; E454-R556 IonicContact OE1-NH2 3.68Å; E454-R556 PolarHBondContact OE1-NH2 2.96Å; E454-R556 IonicContact OE2-CZ 3.39Å; E454-R556 IonicContact OE2-NH1 3.14Å; E454-R556 PolarHBondContact OE2-NH1 2.84Å; E454-R556 IonicContact OE2-NH2 3.31Å; K552-R556 PolarHBondContact O-N 3.43Å; K552-R556 VanDerWaalsContact O-N 3.12Å; R553-R556 WeakPolarHBondContact O-CD 3.27Å; R553-R556 VanDerWaalsContact O-CG 3.26Å; R553-R556 WeakPolarHBondContact O-CG 3.43Å; R553-R556 PolarHBondContact O-N 2.81Å; R553-R556 PolarHBondContact O-NH1 3.22Å; R556-R558 VanDerWaalsContact CD-O 3.32Å; R556-R558 WeakPolarHBondContact CD-O 3.33Å; R556-E559 IonicContact CZ-OE1 3.94Å; R556-E559 IonicContact CZ-OE2 3.74Å; R556-E559 VanDerWaalsContact CZ-OE2 3.31Å; R556-E559 IonicContact NE-OE1 3.75Å; R556-E559 IonicContact NE-OE2 2.71Å; R556-E559 PolarHBondContact NE-OE2 2.85Å; R556-E559 VanDerWaalsContact NE-OE2 3.14Å; R556-E559 IonicContact NH2-OE1 3.7Å; R556-E559 PolarHBondContact NH2-OE1 3.42Å; R556-E559 IonicContact NH2-OE2 2.85Å; R556-E559 PolarHBondContact NH2-OE2 3.36Å; R556-E561 WeakPolarHBondContact CA-OE2 3.49Å; R556-E561 HydrophobicContact CB-CB 4.12Å
557	E	92.4	Very high	95.7	Very high	187 Å²	187	54.1 Å²	54.1	87%	0.874	26%	0.26	S	S	*	.	S	Bend	trans	-93.5	-27.8	171.6	-65.2	-176	176.5	0	0	112	E561	E557-E561 PolarHBondContact N-OE2 3Å; E557-E561 VanDerWaalsContact N-OE2 3.09Å
558	R	92.6	Very high	95.7	Very high	153 Å²	153	54.1 Å²	54.1	58%	0.577	26%	0.261	S	S	*	.	S	Bend	trans	-127.2	148.3	179.6	-62.1	178.7	-67.2	155.3	-2.5	111.2	R556 E560 E561	R556-R558 VanDerWaalsContact CD-O 3.32Å; R556-R558 WeakPolarHBondContact CD-O 3.33Å; R558-E560 VanDerWaalsContact C-N 3.29Å; R558-E560 IonicContact CZ-OE1 3.54Å; R558-E560 IonicContact NE-OE1 3.35Å; R558-E560 IonicContact NH1-OE1 2.83Å; R558-E560 PolarHBondContact NH1-OE1 3.14Å; R558-E560 PolarHBondContact O-N 3.18Å; R558-E561 WeakPolarHBondContact O-CB 3.08Å; R558-E561 PolarHBondContact O-N 3.17Å
559	E	88.7	Confident	95.7	Very high	79 Å²	79	53 Å²	53	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.9	-173.8	-76.1	-63.1	155.8	0	0	113.4	K519 R553 R556 W570	K519-E559 IonicContact NZ-OE1 2.87Å; R553-E559 PolarHBondContact NH1-O 2.81Å; R553-E559 PolarHBondContact NH2-O 2.93Å; R553-E559 IonicContact NH2-OE2 3.08Å; R556-E559 IonicContact CZ-OE1 3.94Å; R556-E559 IonicContact CZ-OE2 3.74Å; R556-E559 VanDerWaalsContact CZ-OE2 3.31Å; R556-E559 IonicContact NE-OE1 3.75Å; R556-E559 IonicContact NE-OE2 2.71Å; R556-E559 PolarHBondContact NE-OE2 2.85Å; R556-E559 VanDerWaalsContact NE-OE2 3.14Å; R556-E559 IonicContact NH2-OE1 3.7Å; R556-E559 PolarHBondContact NH2-OE1 3.42Å; R556-E559 IonicContact NH2-OE2 2.85Å; R556-E559 PolarHBondContact NH2-OE2 3.36Å; E559-W570 HydrophobicContact CB-CH2 4.29Å; E559-W570 HydrophobicContact CB-CZ2 4.11Å
560	E	89.3	Confident	95.7	Very high	87 Å²	87	54.6 Å²	54.6	41%	0.407	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.1	-179.4	66.7	-80.9	-175.6	0	0	114.7	R558 A562 A563 W570	R558-E560 VanDerWaalsContact C-N 3.29Å; R558-E560 IonicContact CZ-OE1 3.54Å; R558-E560 IonicContact NE-OE1 3.35Å; R558-E560 IonicContact NH1-OE1 2.83Å; R558-E560 PolarHBondContact NH1-OE1 3.14Å; R558-E560 PolarHBondContact O-N 3.18Å; E560-A562 PolarHBondContact O-N 3.47Å; E560-A563 PolarHBondContact O-N 2.86Å; E560-W570 HydrophobicContact CB-CZ3 4.37Å
561	E	94.1	Very high	95.7	Very high	74 Å²	74	54.9 Å²	54.9	35%	0.346	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	113.1	-172.7	-168.6	-175.8	144.4	0	0	112.9	R553 R556 E557 R558 A563	R553-E561 WeakPolarHBondContact CD-O 3.34Å; R553-E561 PolarHBondContact NH1-O 3.1Å; R556-E561 WeakPolarHBondContact CA-OE2 3.49Å; R556-E561 HydrophobicContact CB-CB 4.12Å; E557-E561 PolarHBondContact N-OE2 3Å; E557-E561 VanDerWaalsContact N-OE2 3.09Å; R558-E561 WeakPolarHBondContact O-CB 3.08Å; R558-E561 PolarHBondContact O-N 3.17Å; E561-A563 PolarHBondContact O-N 2.77Å
562	A	94.1	Very high	95.7	Very high	33 Å²	33	54.4 Å²	54.4	27%	0.273	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.6	-176.3	0	0	0	0	0	114.2	W549 E560 E573 A576	W549-A562 PolarHBondContact NE1-O 2.88Å; E560-A562 PolarHBondContact O-N 3.47Å; A562-E573 PolarHBondContact O-N 3.38Å; A562-A576 HydrophobicContact CB-CB 4.07Å; A562-A576 WeakPolarHBondContact O-CB 3.27Å
563	A	97.6	Very high	95.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	133.3	-178.4	0	0	0	0	0	113.6	W549 E560 E561 W570 L571	W549-A563 HydrophobicContact CZ2-CB 3.9Å; E560-A563 PolarHBondContact O-N 2.86Å; E561-A563 PolarHBondContact O-N 2.77Å; A563-W570 HydrophobicContact CB-CB 4.05Å; A563-W570 HydrophobicContact CB-CE3 4.38Å; A563-L571 CarbonylContact C-O 3.53Å; A563-L571 WeakPolarHBondContact CA-O 3.35Å; A563-L571 WeakPolarHBondContact CB-O 3.44Å
564	K	97.1	Very high	95.4	Very high	80 Å²	80	61 Å²	61	35%	0.348	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.1	175.2	60.6	-171.9	177.2	-168.3	0	111.2	L571 P572 E573 D574	K564-L571 HydrophobicContact CG-CB 4.2Å; K564-L571 PolarHBondContact N-O 3.37Å; K564-L571 PolarHBondContact O-N 2.65Å; K564-P572 WeakPolarHBondContact CE-O 3.29Å; K564-E573 HydrophobicContact CB-CG 3.94Å; K564-E573 HydrophobicContact CG-CG 4.35Å; K564-D574 IonicContact NZ-OD1 3.8Å; K564-D574 PolarHBondContact NZ-OD1 3.04Å
565	K	97.1	Very high	95.2	Very high	150 Å²	150	63.5 Å²	63.5	65%	0.652	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	135	178.5	-160.2	176.4	-177.6	177.7	0	110.7	F456 W570	F456-K565 HydrophobicContact CE1-CG 3.93Å; K565-W570 HydrophobicContact CB-CE3 3.92Å; K565-W570 HydrophobicContact CB-CH2 4.19Å; K565-W570 HydrophobicContact CB-CZ3 3.73Å; K565-W570 HydrophobicContact CD-CH2 4.28Å; K565-W570 HydrophobicContact CD-CZ2 4.45Å; K565-W570 HydrophobicContact CG-CE3 4.4Å; K565-W570 HydrophobicContact CG-CH2 4.34Å; K565-W570 HydrophobicContact CG-CZ3 4.29Å
566	S	96.8	Very high	95.3	Very high	24 Å²	24	62.4 Å²	62.4	17%	0.168	32%	0.315	C	S	.	.			trans	-125	-176.9	171.7	77.5	0	0	0	0	110.5	F456 I568 G569	F456-S566 WeakPolarHBondContact CZ-O 3.5Å; S566-I568 VanDerWaalsContact C-N 3.31Å; S566-I568 VanDerWaalsContact OG-CG1 3.32Å; S566-I568 WeakPolarHBondContact OG-CG1 3.35Å; S566-I568 PolarHBondContact OG-N 2.88Å; S566-G569 WeakPolarHBondContact CA-O 3.3Å; S566-G569 WeakPolarHBondContact CB-O 3.36Å; S566-G569 PolarHBondContact N-O 2.93Å; S566-G569 PolarHBondContact OG-N 3.17Å; S566-G569 PolarHBondContact OG-O 3.23Å
567	Y	96.4	Very high	95.4	Very high	34 Å²	34	61.2 Å²	61.2	13%	0.133	31%	0.311	C	S	.	.	S	Bend	trans	-78.6	-11.3	174.2	54.9	-103.1	0	0	0	114.1	V594 K596 W599 L629 R632 V633	Y567-V594 HydrophobicContact CE1-CB 4.48Å; Y567-V594 HydrophobicContact CE1-CG1 4.35Å; Y567-V594 HydrophobicContact CE2-CG1 3.59Å; Y567-V594 VanDerWaalsContact OH-C 3.27Å; Y567-V594 WeakPolarHBondContact OH-CG1 3.43Å; Y567-V594 PolarHBondContact OH-O 2.81Å; Y567-K596 HydrophobicContact CE1-CG 4.22Å; Y567-K596 PolarHBondContact OH-N 3.06Å; Y567-W599 HydrophobicContact CE2-CB 3.91Å; Y567-W599 AromaticContact CE2-CD1 3.83Å; Y567-W599 HydrophobicContact CE2-CD2 4.29Å; Y567-W599 AromaticContact CE2-CG 3.71Å; Y567-W599 HydrophobicContact CE2-CG 3.71Å; Y567-L629 WeakPolarHBondContact O-CD1 3.43Å; Y567-R632 PolarHBondContact O-NE 3.17Å; Y567-R632 PolarHBondContact O-NH2 3.29Å; Y567-V633 HydrophobicContact CD2-CG2 3.59Å; Y567-V633 HydrophobicContact CE2-CG2 3.84Å; Y567-V633 HydrophobicContact CG-CG2 4.35Å
568	I	97.8	Very high	95.4	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	28%	0.281	C	S	.	.	S	Bend	trans	-107.2	-6.3	177.8	63.1	168.3	0	0	0	114.2	P450 Y453 H460 S566 V594 W599 L629	P450-I568 HydrophobicContact CG-CD1 3.72Å; Y453-I568 HydrophobicContact CD1-CD1 4.09Å; Y453-I568 WeakPolarHBondContact CD2-O 3.44Å; Y453-I568 HydrophobicContact CE1-CD1 4.36Å; Y453-I568 WeakPolarHBondContact CE2-O 3.46Å; Y453-I568 HydrophobicContact CG-CD1 4.23Å; H460-I568 PolarHBondContact CE1-O 2.97Å; H460-I568 VanDerWaalsContact CE1-O 3.27Å; S566-I568 VanDerWaalsContact C-N 3.31Å; S566-I568 VanDerWaalsContact OG-CG1 3.32Å; S566-I568 WeakPolarHBondContact OG-CG1 3.35Å; S566-I568 PolarHBondContact OG-N 2.88Å; I568-V594 HydrophobicContact CD1-CG1 3.67Å; I568-V594 HydrophobicContact CD1-CG2 4.27Å; I568-V594 HydrophobicContact CG1-CG1 4.09Å; I568-V594 HydrophobicContact CG2-CG1 4.11Å; I568-W599 HydrophobicContact CB-CH2 4.32Å; I568-W599 HydrophobicContact CB-CZ2 4.4Å; I568-W599 HydrophobicContact CD1-CH2 4.28Å; I568-W599 HydrophobicContact CD1-CZ2 3.73Å; I568-W599 HydrophobicContact CG2-CD2 3.69Å; I568-W599 HydrophobicContact CG2-CE3 3.75Å; I568-W599 HydrophobicContact CG2-CG 4.4Å; I568-W599 HydrophobicContact CG2-CH2 3.78Å; I568-W599 HydrophobicContact CG2-CZ2 3.74Å; I568-W599 HydrophobicContact CG2-CZ3 3.79Å; I568-L629 HydrophobicContact CG2-CD1 4.1Å
569	G	98.1	Very high	95.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	146.4	-165.6	-172.6	0	0	0	0	0	112.3	E454 F456 S566	E454-G569 CarbonylContact O-C 3.54Å; E454-G569 WeakPolarHBondContact O-CA 3.48Å; F456-G569 VanDerWaalsContact CE1-CA 3.45Å; F456-G569 VanDerWaalsContact CZ-N 3.27Å; S566-G569 WeakPolarHBondContact CA-O 3.3Å; S566-G569 WeakPolarHBondContact CB-O 3.36Å; S566-G569 PolarHBondContact N-O 2.93Å; S566-G569 PolarHBondContact OG-N 3.17Å; S566-G569 PolarHBondContact OG-O 3.23Å
570	W	98.7	Very high	95.7	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126	171.5	-56	93	0	0	0	110.4	Y453 E454 F456 E559 E560 A563 K565	Y453-W570 CarbonylContact C-O 3.57Å; Y453-W570 VanDerWaalsContact CA-O 3.25Å; Y453-W570 WeakPolarHBondContact CA-O 3.33Å; E454-W570 HydrophobicContact CB-CB 4.1Å; E454-W570 PolarHBondContact N-O 3.42Å; E454-W570 PolarHBondContact O-N 3.41Å; F456-W570 AromaticContact CD1-CD1 3.98Å; F456-W570 AromaticContact CD1-NE1 3.7Å; E559-W570 HydrophobicContact CB-CH2 4.29Å; E559-W570 HydrophobicContact CB-CZ2 4.11Å; E560-W570 HydrophobicContact CB-CZ3 4.37Å; A563-W570 HydrophobicContact CB-CB 4.05Å; A563-W570 HydrophobicContact CB-CE3 4.38Å; K565-W570 HydrophobicContact CB-CE3 3.92Å; K565-W570 HydrophobicContact CB-CH2 4.19Å; K565-W570 HydrophobicContact CB-CZ3 3.73Å; K565-W570 HydrophobicContact CD-CH2 4.28Å; K565-W570 HydrophobicContact CD-CZ2 4.45Å; K565-W570 HydrophobicContact CG-CE3 4.4Å; K565-W570 HydrophobicContact CG-CH2 4.34Å; K565-W570 HydrophobicContact CG-CZ3 4.29Å
571	L	98.6	Very high	95.6	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	153	174.7	-62.3	170.5	0	0	0	109.5	P450 A563 K564 E573 F592 V594	P450-L571 HydrophobicContact CB-CD2 4.27Å; P450-L571 HydrophobicContact CG-CD2 3.86Å; A563-L571 CarbonylContact C-O 3.53Å; A563-L571 WeakPolarHBondContact CA-O 3.35Å; A563-L571 WeakPolarHBondContact CB-O 3.44Å; K564-L571 HydrophobicContact CG-CB 4.2Å; K564-L571 PolarHBondContact N-O 3.37Å; K564-L571 PolarHBondContact O-N 2.65Å; L571-E573 PolarHBondContact O-N 3.07Å; L571-F592 HydrophobicContact CD2-CD1 4.39Å; L571-V594 HydrophobicContact CD1-CG2 3.76Å
572	P	98.2	Very high	95.3	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	138.3	168	-22.4	33	0	0	0	111.3	V452 W549 K564 A576 I577 F592	V452-P572 HydrophobicContact CG1-CG 3.65Å; W549-P572 HydrophobicContact CD2-CB 4.44Å; W549-P572 HydrophobicContact CD2-CG 3.89Å; W549-P572 HydrophobicContact CE3-CG 4.3Å; W549-P572 HydrophobicContact CG-CG 4.35Å; W549-P572 HydrophobicContact CH2-CG 4.27Å; W549-P572 HydrophobicContact CZ2-CB 4.31Å; W549-P572 HydrophobicContact CZ2-CG 3.85Å; W549-P572 HydrophobicContact CZ3-CG 4.48Å; K564-P572 WeakPolarHBondContact CE-O 3.29Å; P572-A576 HydrophobicContact CB-CB 4.04Å; P572-I577 HydrophobicContact CB-CD1 4.33Å; P572-I577 HydrophobicContact CB-CG1 3.84Å; P572-I577 HydrophobicContact CG-CD1 4.05Å; P572-I577 HydrophobicContact CG-CG1 3.94Å; P572-F592 HydrophobicContact CB-CE1 4.42Å; P572-F592 HydrophobicContact CB-CZ 4.36Å; P572-F592 VanDerWaalsContact CD-CE1 3.43Å; P572-F592 HydrophobicContact CG-CD1 4.33Å; P572-F592 HydrophobicContact CG-CE1 3.53Å; P572-F592 HydrophobicContact CG-CZ 3.7Å
573	E	96.4	Very high	94.3	Very high	88 Å²	88	53.4 Å²	53.4	41%	0.411	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-68.9	163.8	166.6	-75.5	179.3	153.9	0	0	111.1	A562 K564 L571 G575 A576	A562-E573 PolarHBondContact O-N 3.38Å; K564-E573 HydrophobicContact CB-CG 3.94Å; K564-E573 HydrophobicContact CG-CG 4.35Å; L571-E573 PolarHBondContact O-N 3.07Å; E573-G575 PolarHBondContact O-N 2.5Å; E573-A576 HydrophobicContact CB-CB 4.34Å; E573-A576 WeakPolarHBondContact O-CB 3.38Å; E573-A576 PolarHBondContact O-N 3.09Å
574	D	93.1	Very high	92.7	Very high	145 Å²	145	58.6 Å²	58.6	78%	0.775	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	124.3	179.4	-63.2	6.5	0	0	0	109	K564 A576	K564-D574 IonicContact NZ-OD1 3.8Å; K564-D574 PolarHBondContact NZ-OD1 3.04Å; D574-A576 VanDerWaalsContact C-N 3.35Å
575	G	93.1	Very high	91.6	Very high	77 Å²	77	64.9 Å²	64.9	79%	0.794	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-2.3	-174.4	0	0	0	0	0	115.8	E573 I577	E573-G575 PolarHBondContact O-N 2.5Å; G575-I577 VanDerWaalsContact C-N 3.32Å; G575-I577 PolarHBondContact O-N 2.81Å
576	A	95.8	Very high	91.3	Very high	19 Å²	19	59.1 Å²	59.1	16%	0.157	36%	0.361	C	S	.	.			trans	-72.5	-23.6	178.3	0	0	0	0	0	113.8	A562 P572 E573 D574	A562-A576 HydrophobicContact CB-CB 4.07Å; A562-A576 WeakPolarHBondContact O-CB 3.27Å; P572-A576 HydrophobicContact CB-CB 4.04Å; E573-A576 HydrophobicContact CB-CB 4.34Å; E573-A576 WeakPolarHBondContact O-CB 3.38Å; E573-A576 PolarHBondContact O-N 3.09Å; D574-A576 VanDerWaalsContact C-N 3.35Å
577	I	96.7	Very high	91	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	38%	0.376	C	S	.	.	S	Bend	trans	-95.5	123.7	170.6	-60.5	-70.7	0	0	0	108	V452 R545 V546 W549 P572 G575 T579 M588 F592	V452-I577 HydrophobicContact CG1-CD1 4.47Å; R545-I577 HydrophobicContact CB-CG2 4.15Å; V546-I577 HydrophobicContact CG2-CD1 4.43Å; W549-I577 HydrophobicContact CB-CD1 3.52Å; W549-I577 HydrophobicContact CG-CD1 3.88Å; P572-I577 HydrophobicContact CB-CD1 4.33Å; P572-I577 HydrophobicContact CB-CG1 3.84Å; P572-I577 HydrophobicContact CG-CD1 4.05Å; P572-I577 HydrophobicContact CG-CG1 3.94Å; G575-I577 VanDerWaalsContact C-N 3.32Å; G575-I577 PolarHBondContact O-N 2.81Å; I577-T579 PolarHBondContact O-N 2.84Å; I577-M588 HydrophobicContact CB-CE 3.71Å; I577-M588 HydrophobicContact CG1-CE 4.28Å; I577-M588 HydrophobicContact CG2-CE 3.83Å; I577-F592 HydrophobicContact CG1-CE2 4.29Å; I577-F592 HydrophobicContact CG1-CZ 4Å
578	D	94.1	Very high	90.9	Very high	44 Å²	44	63.2 Å²	63.2	24%	0.235	38%	0.382	C	S	.	.			trans	-65.5	120.6	176.5	178.5	26.7	0	0	0	110.5	R545 K580	R545-D578 WeakPolarHBondContact CD-O 3.38Å; R545-D578 WeakPolarHBondContact CG-O 3.34Å; R545-D578 VanDerWaalsContact NH1-CG 3.29Å; R545-D578 PolarHBondContact NH1-O 3.04Å; R545-D578 IonicContact NH1-OD1 2.71Å; R545-D578 IonicContact NH1-OD2 3.04Å; R545-D578 PolarHBondContact NH1-OD2 2.84Å; D578-K580 VanDerWaalsContact OD1-CB 3.23Å; D578-K580 WeakPolarHBondContact OD1-CB 3.46Å; D578-K580 VanDerWaalsContact OD1-CG 3.22Å; D578-K580 WeakPolarHBondContact OD1-CG 3.48Å; D578-K580 PolarHBondContact OD1-N 3.35Å
579	T	93.8	Very high	90.8	Very high	68 Å²	68	65.5 Å²	65.5	42%	0.417	41%	0.406	S	S	.	.			trans	-106.2	3.8	176	62.4	0	0	0	0	113.3	I577 G581 L582 M588	I577-T579 PolarHBondContact O-N 2.84Å; T579-G581 PolarHBondContact O-N 2.78Å; T579-L582 HydrophobicContact CG2-CD1 4.17Å; T579-L582 WeakPolarHBondContact O-CB 3.2Å; T579-L582 PolarHBondContact O-N 3.36Å; T579-M588 HydrophobicContact CG2-CE 3.92Å; T579-M588 HydrophobicContact CG2-CG 4.07Å; T579-M588 HydrophobicContact CG2-SD 3.92Å
580	K	91.8	Very high	90.6	Very high	167 Å²	167	66.8 Å²	66.8	73%	0.726	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	125.1	-178.9	-69.3	173.6	-177.2	176.5	0	110.9	R545 D578 L582	R545-K580 VanDerWaalsContact CZ-O 3.29Å; R545-K580 PolarHBondContact NH1-O 2.79Å; R545-K580 VanDerWaalsContact NH1-O 3.11Å; R545-K580 PolarHBondContact NH2-O 2.83Å; D578-K580 VanDerWaalsContact OD1-CB 3.23Å; D578-K580 WeakPolarHBondContact OD1-CB 3.46Å; D578-K580 VanDerWaalsContact OD1-CG 3.22Å; D578-K580 WeakPolarHBondContact OD1-CG 3.48Å; D578-K580 PolarHBondContact OD1-N 3.35Å; K580-L582 VanDerWaalsContact C-N 3.26Å; K580-L582 PolarHBondContact O-N 3.48Å
581	G	88.1	Confident	90.4	Very high	74 Å²	74	65.2 Å²	65.2	76%	0.763	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-0.1	178.8	0	0	0	0	0	114.9	T579 G583	T579-G581 PolarHBondContact O-N 2.78Å; G581-G583 PolarHBondContact O-N 2.98Å
582	L	88.4	Confident	90.4	Very high	22 Å²	22	66 Å²	66	12%	0.115	41%	0.414	C	S	.	.			trans	-66.1	129	162.5	-67.5	178.2	0	0	0	108	W537 P538 E542 T579 K580 V586	W537-L582 HydrophobicContact CH2-CD1 4.01Å; W537-L582 HydrophobicContact CZ3-CD1 3.85Å; P538-L582 HydrophobicContact CG-CD2 4.01Å; E542-L582 HydrophobicContact CB-CD2 4.17Å; E542-L582 HydrophobicContact CG-CD2 3.88Å; E542-L582 VanDerWaalsContact OE2-CD2 3.25Å; E542-L582 WeakPolarHBondContact OE2-CD2 3.38Å; T579-L582 HydrophobicContact CG2-CD1 4.17Å; T579-L582 WeakPolarHBondContact O-CB 3.2Å; T579-L582 PolarHBondContact O-N 3.36Å; K580-L582 VanDerWaalsContact C-N 3.26Å; K580-L582 PolarHBondContact O-N 3.48Å; L582-V586 HydrophobicContact CB-CG2 4.17Å; L582-V586 HydrophobicContact CD1-CG2 4.17Å
583	G	71.6	Confident	90.3	Very high	74 Å²	74	69.5 Å²	69.5	76%	0.763	43%	0.433	S	S	*	.	S	Bend	trans	-62	-111.1	-170.9	0	0	0	0	0	115.4	G581 K585	G581-G583 PolarHBondContact O-N 2.98Å; G583-K585 PolarHBondContact O-N 3.37Å
584	S	65.5	Low	90.3	Very high	111 Å²	111	66.4 Å²	66.4	78%	0.776	42%	0.42	S	S	*	.	S	Bend	trans	-51.7	141.9	174	52	0	0	0	0	110.1	V586	S584-V586 PolarHBondContact O-N 3.42Å
585	K	74.2	Confident	90.5	Very high	211 Å²	211	61.2 Å²	61.2	92%	0.917	39%	0.394	S	S	*	.			trans	-51.8	99	-176	-166	-180	-176.1	-176.3	0	110.4	G583 D587	G583-K585 PolarHBondContact O-N 3.37Å; K585-D587 PolarHBondContact O-N 3.42Å
586	V	89.8	Confident	90.6	Very high	30 Å²	30	62 Å²	62	18%	0.182	38%	0.375	C	S	.	.			trans	-64.9	124.8	176.2	173.4	0	0	0	0	107.4	W537 L582 S584 M588 L591	W537-V586 HydrophobicContact CE3-CG1 4.18Å; W537-V586 HydrophobicContact CZ3-CG1 4.32Å; L582-V586 HydrophobicContact CB-CG2 4.17Å; L582-V586 HydrophobicContact CD1-CG2 4.17Å; S584-V586 PolarHBondContact O-N 3.42Å; V586-M588 HydrophobicContact CG1-SD 3.94Å; V586-M588 PolarHBondContact O-N 3.43Å; V586-L591 HydrophobicContact CG1-CD1 3.29Å; V586-L591 HydrophobicContact CG1-CG 4.5Å
587	D	91.9	Very high	90.7	Very high	93 Å²	93	65.7 Å²	65.7	50%	0.497	40%	0.398	S	S	.	.			trans	-78	90	178.9	-169.5	-17.7	0	0	0	110.1	K585 G589 A590 L591	K585-D587 PolarHBondContact O-N 3.42Å; D587-G589 PolarHBondContact O-N 3.02Å; D587-G589 WeakPolarHBondContact OD1-CA 3.38Å; D587-G589 PolarHBondContact OD1-N 2.81Å; D587-A590 HydrophobicContact CB-CB 3.9Å; D587-A590 VanDerWaalsContact CG-CB 3.47Å; D587-A590 PolarHBondContact O-N 3.25Å; D587-A590 PolarHBondContact OD1-N 2.98Å; D587-L591 WeakPolarHBondContact O-CG 3.42Å; D587-L591 PolarHBondContact O-N 3.09Å
588	M	94.1	Very high	90.8	Very high	50 Å²	50	66.6 Å²	66.6	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-30.6	177.3	-61.9	-60	-79	0	0	112.1	I577 T579 V586 L591 F592	I577-M588 HydrophobicContact CB-CE 3.71Å; I577-M588 HydrophobicContact CG1-CE 4.28Å; I577-M588 HydrophobicContact CG2-CE 3.83Å; T579-M588 HydrophobicContact CG2-CE 3.92Å; T579-M588 HydrophobicContact CG2-CG 4.07Å; T579-M588 HydrophobicContact CG2-SD 3.92Å; V586-M588 HydrophobicContact CG1-SD 3.94Å; V586-M588 PolarHBondContact O-N 3.43Å; M588-L591 PolarHBondContact O-N 3.36Å; M588-L591 HydrophobicContact SD-CD1 3.9Å; M588-F592 HydrophobicContact CE-CD2 4.3Å; M588-F592 HydrophobicContact CE-CE2 3.61Å; M588-F592 WeakPolarHBondContact O-CD2 3.33Å; M588-F592 PolarHBondContact O-N 3.44Å; M588-F592 VanDerWaalsContact O-N 3.1Å
589	G	94.1	Very high	91	Very high	52 Å²	52	65.1 Å²	65.1	54%	0.536	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-51.9	174.8	0	0	0	0	0	110.3	D587 L591 F592 D593	D587-G589 PolarHBondContact O-N 3.02Å; D587-G589 WeakPolarHBondContact OD1-CA 3.38Å; D587-G589 PolarHBondContact OD1-N 2.81Å; G589-L591 VanDerWaalsContact C-N 3.32Å; G589-L591 PolarHBondContact O-N 2.85Å; G589-F592 PolarHBondContact O-N 3.34Å; G589-D593 VanDerWaalsContact O-CB 3.28Å; G589-D593 WeakPolarHBondContact O-CB 3.49Å; G589-D593 PolarHBondContact O-N 3.46Å
590	A	94.3	Very high	91.2	Very high	27 Å²	27	65.1 Å²	65.1	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-34.3	176.2	0	0	0	0	0	113	R527 L536 D587	R527-A590 PolarHBondContact NE-O 2.76Å; R527-A590 VanDerWaalsContact NE-O 3.1Å; R527-A590 PolarHBondContact NH1-O 2.94Å; R527-A590 PolarHBondContact NH2-O 3.39Å; L536-A590 HydrophobicContact CD1-CB 4.03Å; D587-A590 HydrophobicContact CB-CB 3.9Å; D587-A590 VanDerWaalsContact CG-CB 3.47Å; D587-A590 PolarHBondContact O-N 3.25Å; D587-A590 PolarHBondContact OD1-N 2.98Å
591	L	95.9	Very high	91.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-36.8	178	-80.9	168	0	0	0	113.5	P450 L451 R527 L536 W537 V586 D587 M588 G589	P450-L591 CarbonylContact C-O 3.31Å; P450-L591 WeakPolarHBondContact CA-O 3.27Å; P450-L591 WeakPolarHBondContact CB-O 3.29Å; L451-L591 HydrophobicContact CB-CB 4.35Å; L451-L591 HydrophobicContact CB-CD2 4.26Å; L451-L591 HydrophobicContact CD2-CD1 4.33Å; L451-L591 PolarHBondContact N-O 3.4Å; L451-L591 VanDerWaalsContact N-O 3.08Å; R527-L591 PolarHBondContact NH1-O 3.46Å; L536-L591 HydrophobicContact CB-CD2 3.54Å; L536-L591 HydrophobicContact CB-CG 4.04Å; L536-L591 HydrophobicContact CD1-CD2 4.44Å; W537-L591 HydrophobicContact CB-CD2 3.99Å; W537-L591 HydrophobicContact CE3-CD1 3.77Å; W537-L591 HydrophobicContact CZ3-CD1 4.37Å; V586-L591 HydrophobicContact CG1-CD1 3.29Å; V586-L591 HydrophobicContact CG1-CG 4.5Å; D587-L591 WeakPolarHBondContact O-CG 3.42Å; D587-L591 PolarHBondContact O-N 3.09Å; M588-L591 PolarHBondContact O-N 3.36Å; M588-L591 HydrophobicContact SD-CD1 3.9Å; G589-L591 VanDerWaalsContact C-N 3.32Å; G589-L591 PolarHBondContact O-N 2.85Å
592	F	97.1	Very high	91.9	Very high	24 Å²	24	60 Å²	60	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-103.7	1.5	-177	-70.1	-72.2	0	0	0	114.1	P450 L451 V452 L571 P572 I577 M588 G589 V594	P450-F592 HydrophobicContact CB-CD1 4.19Å; L451-F592 HydrophobicContact CB-CE1 3.93Å; L451-F592 HydrophobicContact CB-CE2 4.44Å; L451-F592 HydrophobicContact CB-CZ 3.84Å; L451-F592 HydrophobicContact CD2-CE2 4.32Å; L451-F592 HydrophobicContact CD2-CZ 3.96Å; L451-F592 HydrophobicContact CG-CZ 4.28Å; V452-F592 HydrophobicContact CG1-CE1 3.78Å; V452-F592 HydrophobicContact CG1-CZ 4.07Å; L571-F592 HydrophobicContact CD2-CD1 4.39Å; P572-F592 HydrophobicContact CB-CE1 4.42Å; P572-F592 HydrophobicContact CB-CZ 4.36Å; P572-F592 VanDerWaalsContact CD-CE1 3.43Å; P572-F592 HydrophobicContact CG-CD1 4.33Å; P572-F592 HydrophobicContact CG-CE1 3.53Å; P572-F592 HydrophobicContact CG-CZ 3.7Å; I577-F592 HydrophobicContact CG1-CE2 4.29Å; I577-F592 HydrophobicContact CG1-CZ 4Å; M588-F592 HydrophobicContact CE-CD2 4.3Å; M588-F592 HydrophobicContact CE-CE2 3.61Å; M588-F592 WeakPolarHBondContact O-CD2 3.33Å; M588-F592 PolarHBondContact O-N 3.44Å; M588-F592 VanDerWaalsContact O-N 3.1Å; G589-F592 PolarHBondContact O-N 3.34Å; F592-V594 VanDerWaalsContact O-CG2 3.22Å; F592-V594 WeakPolarHBondContact O-CG2 3.27Å
593	D	95.7	Very high	92.3	Very high	78 Å²	78	59 Å²	59	42%	0.417	34%	0.34	S	S	.	.			trans	-61.4	138.5	174.1	174.5	45.3	0	0	0	111.2	R527 G589 P595	R527-D593 PolarHBondContact NH1-O 2.98Å; R527-D593 PolarHBondContact NH2-O 3.05Å; R527-D593 IonicContact NH2-OD2 2.85Å; R527-D593 PolarHBondContact NH2-OD2 2.71Å; G589-D593 VanDerWaalsContact O-CB 3.28Å; G589-D593 WeakPolarHBondContact O-CB 3.49Å; G589-D593 PolarHBondContact O-N 3.46Å; D593-P595 WeakPolarHBondContact OD2-CG 3.43Å
594	V	97	Very high	93.6	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.139	33%	0.333	C	S	.	.			trans	-128.9	88.1	-176.7	-156.6	0	0	0	0	106	Y567 I568 L571 F592 K596 W599	Y567-V594 HydrophobicContact CE1-CB 4.48Å; Y567-V594 HydrophobicContact CE1-CG1 4.35Å; Y567-V594 HydrophobicContact CE2-CG1 3.59Å; Y567-V594 VanDerWaalsContact OH-C 3.27Å; Y567-V594 WeakPolarHBondContact OH-CG1 3.43Å; Y567-V594 PolarHBondContact OH-O 2.81Å; I568-V594 HydrophobicContact CD1-CG1 3.67Å; I568-V594 HydrophobicContact CD1-CG2 4.27Å; I568-V594 HydrophobicContact CG1-CG1 4.09Å; I568-V594 HydrophobicContact CG2-CG1 4.11Å; L571-V594 HydrophobicContact CD1-CG2 3.76Å; F592-V594 VanDerWaalsContact O-CG2 3.22Å; F592-V594 WeakPolarHBondContact O-CG2 3.27Å; V594-K596 PolarHBondContact O-N 3.35Å; V594-W599 VanDerWaalsContact CG1-CD1 3.48Å; V594-W599 HydrophobicContact CG1-CG 4.38Å; V594-W599 HydrophobicContact CG1-CZ2 4.48Å
595	P	96.9	Very high	95.1	Very high	36 Å²	36	60.7 Å²	60.7	23%	0.234	31%	0.313	C	S	.	.			trans	-73	122.7	-174.1	-13.8	24.3	0	0	0	111.5	D593 F598 W599	D593-P595 WeakPolarHBondContact OD2-CG 3.43Å; P595-F598 HydrophobicContact CB-CB 4.04Å; P595-F598 HydrophobicContact CG-CB 4.3Å; P595-F598 WeakPolarHBondContact O-CB 3.34Å; P595-F598 PolarHBondContact O-N 2.87Å; P595-F598 VanDerWaalsContact O-N 3.13Å; P595-W599 PolarHBondContact O-N 2.8Å; P595-W599 VanDerWaalsContact O-N 3.17Å
596	K	96.9	Very high	96.3	Very high	94 Å²	94	50.8 Å²	50.8	41%	0.409	27%	0.27	S	S	.	.	H	α-helix	trans	-52	-46.5	175.5	-72.7	-165.7	180	-165	0	113.2	Y567 V594 F598 W599 Q600 A635	Y567-K596 HydrophobicContact CE1-CG 4.22Å; Y567-K596 PolarHBondContact OH-N 3.06Å; V594-K596 PolarHBondContact O-N 3.35Å; K596-F598 VanDerWaalsContact C-N 3.27Å; K596-F598 PolarHBondContact O-N 2.99Å; K596-W599 PolarHBondContact O-N 2.87Å; K596-W599 VanDerWaalsContact O-N 3.14Å; K596-Q600 WeakPolarHBondContact O-CG 3.33Å; K596-Q600 PolarHBondContact O-N 3.36Å; K596-A635 PolarHBondContact NZ-OXT 3.02Å
597	P	97.6	Very high	96.7	Very high	96 Å²	96	52.8 Å²	52.8	62%	0.623	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-36	179.8	-25.3	35.5	0	0	0	113.7	K601	P597-K601 PolarHBondContact O-N 2.87Å
598	F	97.4	Very high	96.9	Very high	24 Å²	24	50.2 Å²	50.2	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-47.6	175.8	173.3	-90.1	0	0	0	110.9	R445 E447 V449 P595 K596 Q600 K601 E602	R445-F598 VanDerWaalsContact NH2-CZ 3.29Å; E447-F598 HydrophobicContact CG-CD2 4.33Å; E447-F598 HydrophobicContact CG-CE2 3.84Å; E447-F598 VanDerWaalsContact O-CZ 3.31Å; E447-F598 WeakPolarHBondContact O-CZ 3.27Å; V449-F598 HydrophobicContact CG2-CE1 4.08Å; V449-F598 HydrophobicContact CG2-CZ 4.1Å; P595-F598 HydrophobicContact CB-CB 4.04Å; P595-F598 HydrophobicContact CG-CB 4.3Å; P595-F598 WeakPolarHBondContact O-CB 3.34Å; P595-F598 PolarHBondContact O-N 2.87Å; P595-F598 VanDerWaalsContact O-N 3.13Å; K596-F598 VanDerWaalsContact C-N 3.27Å; K596-F598 PolarHBondContact O-N 2.99Å; F598-Q600 PolarHBondContact O-N 2.73Å; F598-K601 WeakPolarHBondContact O-CB 3.32Å; F598-K601 PolarHBondContact O-N 2.94Å; F598-K601 VanDerWaalsContact O-N 3.12Å; F598-E602 HydrophobicContact CE1-CB 4.48Å; F598-E602 PolarHBondContact O-N 2.78Å
599	W	98.2	Very high	97.1	Very high	14 Å²	14	48.2 Å²	48.2	5%	0.053	26%	0.256	C	S	.	.	H	α-helix	trans	-72.5	-26.7	-177.7	-75.3	92.9	0	0	0	113.6	G448 V449 Y567 I568 V594 P595 K596 K601 E602 T603 L629 V633	G448-W599 PolarHBondContact O-NE1 3.46Å; V449-W599 HydrophobicContact CG2-CZ2 4.34Å; Y567-W599 HydrophobicContact CE2-CB 3.91Å; Y567-W599 AromaticContact CE2-CD1 3.83Å; Y567-W599 HydrophobicContact CE2-CD2 4.29Å; Y567-W599 AromaticContact CE2-CG 3.71Å; Y567-W599 HydrophobicContact CE2-CG 3.71Å; I568-W599 HydrophobicContact CB-CH2 4.32Å; I568-W599 HydrophobicContact CB-CZ2 4.4Å; I568-W599 HydrophobicContact CD1-CH2 4.28Å; I568-W599 HydrophobicContact CD1-CZ2 3.73Å; I568-W599 HydrophobicContact CG2-CD2 3.69Å; I568-W599 HydrophobicContact CG2-CE3 3.75Å; I568-W599 HydrophobicContact CG2-CG 4.4Å; I568-W599 HydrophobicContact CG2-CH2 3.78Å; I568-W599 HydrophobicContact CG2-CZ2 3.74Å; I568-W599 HydrophobicContact CG2-CZ3 3.79Å; V594-W599 VanDerWaalsContact CG1-CD1 3.48Å; V594-W599 HydrophobicContact CG1-CG 4.38Å; V594-W599 HydrophobicContact CG1-CZ2 4.48Å; P595-W599 PolarHBondContact O-N 2.8Å; P595-W599 VanDerWaalsContact O-N 3.17Å; K596-W599 PolarHBondContact O-N 2.87Å; K596-W599 VanDerWaalsContact O-N 3.14Å; W599-K601 VanDerWaalsContact C-N 3.31Å; W599-E602 HydrophobicContact CE3-CB 4.2Å; W599-E602 HydrophobicContact CE3-CG 4.2Å; W599-E602 HydrophobicContact CZ3-CG 4.25Å; W599-E602 PolarHBondContact O-N 2.84Å; W599-T603 WeakPolarHBondContact O-CG2 3.49Å; W599-T603 PolarHBondContact O-N 2.84Å; W599-T603 PolarHBondContact O-OG1 3.49Å; W599-L629 HydrophobicContact CE3-CD2 4.35Å; W599-L629 HydrophobicContact CZ3-CD2 4.36Å; W599-V633 HydrophobicContact CB-CG1 4.15Å; W599-V633 HydrophobicContact CB-CG2 3.94Å
600	Q	98.1	Very high	97.3	Very high	67 Å²	67	45.8 Å²	45.8	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-35.3	168.3	-72.8	176.2	-15.8	0	0	112.2	K596 F598 T603 K604 V633	K596-Q600 WeakPolarHBondContact O-CG 3.33Å; K596-Q600 PolarHBondContact O-N 3.36Å; F598-Q600 PolarHBondContact O-N 2.73Å; Q600-T603 PolarHBondContact O-OG1 2.7Å; Q600-T603 VanDerWaalsContact O-OG1 3.09Å; Q600-K604 WeakPolarHBondContact O-CG 3.21Å; Q600-V633 HydrophobicContact CB-CG1 4.34Å; Q600-V633 HydrophobicContact CG-CG1 3.44Å; Q600-V633 VanDerWaalsContact CG-CG1 3.44Å
601	K	97.6	Very high	97.4	Very high	125 Å²	125	48.1 Å²	48.1	54%	0.543	24%	0.242	S	C	.	.	H	α-helix	trans	-72.6	-44.6	172	-174.2	-177.8	176.8	-174.3	0	110.6	P597 F598 W599 T603 K604 E605	P597-K601 PolarHBondContact O-N 2.87Å; F598-K601 WeakPolarHBondContact O-CB 3.32Å; F598-K601 PolarHBondContact O-N 2.94Å; F598-K601 VanDerWaalsContact O-N 3.12Å; W599-K601 VanDerWaalsContact C-N 3.31Å; K601-T603 PolarHBondContact O-N 3.43Å; K601-K604 PolarHBondContact O-N 3.47Å; K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 WeakPolarHBondContact O-CG 3.45Å; K601-E605 PolarHBondContact O-N 3.32Å
602	E	97.6	Very high	97.4	Very high	9 Å²	9	52.4 Å²	52.4	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-44.4	-178.4	-165.9	69.7	-170.6	0	0	112.1	R445 R469 F598 W599 E605 L606	R445-E602 IonicContact CZ-OE1 3.5Å; R445-E602 IonicContact CZ-OE2 2.63Å; R445-E602 IonicContact NH1-OE1 3.83Å; R445-E602 PolarHBondContact NH1-OE1 2.86Å; R445-E602 IonicContact NH1-OE2 2.8Å; R445-E602 VanDerWaalsContact NH2-CD 3.34Å; R445-E602 IonicContact NH2-OE1 3.61Å; R445-E602 PolarHBondContact NH2-OE1 2.97Å; R445-E602 IonicContact NH2-OE2 3.41Å; R445-E602 PolarHBondContact NH2-OE2 3.35Å; R469-E602 WeakPolarHBondContact CD-OE1 3.39Å; R469-E602 IonicContact CZ-OE1 3.38Å; R469-E602 IonicContact NE-OE1 3.29Å; R469-E602 IonicContact NH1-OE1 2.81Å; R469-E602 PolarHBondContact NH1-OE1 2.85Å; R469-E602 IonicContact NH1-OE2 3.28Å; R469-E602 PolarHBondContact NH1-OE2 3.46Å; F598-E602 HydrophobicContact CE1-CB 4.48Å; F598-E602 PolarHBondContact O-N 2.78Å; W599-E602 HydrophobicContact CE3-CB 4.2Å; W599-E602 HydrophobicContact CE3-CG 4.2Å; W599-E602 HydrophobicContact CZ3-CG 4.25Å; W599-E602 PolarHBondContact O-N 2.84Å; E602-E605 PolarHBondContact O-N 3.13Å; E602-L606 HydrophobicContact CG-CD1 4.29Å; E602-L606 WeakPolarHBondContact O-CB 3.32Å; E602-L606 VanDerWaalsContact O-CG 3.3Å; E602-L606 WeakPolarHBondContact O-CG 3.41Å; E602-L606 PolarHBondContact O-N 3.05Å
603	T	98.1	Very high	97.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-42.3	177	44.5	0	0	0	0	112.6	W599 Q600 K601 E605 L606 R607 L629 E630	W599-T603 WeakPolarHBondContact O-CG2 3.49Å; W599-T603 PolarHBondContact O-N 2.84Å; W599-T603 PolarHBondContact O-OG1 3.49Å; Q600-T603 PolarHBondContact O-OG1 2.7Å; Q600-T603 VanDerWaalsContact O-OG1 3.09Å; K601-T603 PolarHBondContact O-N 3.43Å; T603-E605 PolarHBondContact O-N 2.7Å; T603-L606 PolarHBondContact O-N 3.05Å; T603-R607 WeakPolarHBondContact O-CB 3.48Å; T603-R607 PolarHBondContact O-N 3.25Å; T603-L629 HydrophobicContact CG2-CB 4.47Å; T603-L629 HydrophobicContact CG2-CD2 3.71Å; T603-L629 HydrophobicContact CG2-CG 3.67Å; T603-E630 HydrophobicContact CG2-CG 3.86Å
604	K	98.1	Very high	97.5	Very high	143 Å²	143	47.6 Å²	47.6	62%	0.622	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-43.8	174.2	-70.1	174.5	-176.4	-179.6	0	112.2	Q600 K601 R607 A608	Q600-K604 WeakPolarHBondContact O-CG 3.21Å; K601-K604 PolarHBondContact O-N 3.47Å; K604-R607 PolarHBondContact O-N 3.01Å; K604-A608 WeakPolarHBondContact O-CB 3.43Å; K604-A608 PolarHBondContact O-N 3.05Å
605	E	97.6	Very high	97.4	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-43.5	176.3	-67	-72.5	177.7	0	0	111.3	K601 E602 T603 A608 Y609	K601-E605 HydrophobicContact CG-CG 4.42Å; K601-E605 WeakPolarHBondContact O-CG 3.45Å; K601-E605 PolarHBondContact O-N 3.32Å; E602-E605 PolarHBondContact O-N 3.13Å; T603-E605 PolarHBondContact O-N 2.7Å; E605-A608 PolarHBondContact O-N 3.33Å; E605-Y609 VanDerWaalsContact O-CB 3.32Å; E605-Y609 WeakPolarHBondContact O-CB 3.46Å; E605-Y609 PolarHBondContact O-N 3.39Å
606	L	98.1	Very high	97.4	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-44.5	176.5	-72.2	171.9	0	0	0	112.1	F463 A467 E602 T603 A608 Y609 F610 L626	F463-L606 HydrophobicContact CZ-CD1 4.19Å; A467-L606 HydrophobicContact CB-CD1 3.88Å; A467-L606 HydrophobicContact CB-CD2 3.59Å; A467-L606 HydrophobicContact CB-CG 4.42Å; E602-L606 HydrophobicContact CG-CD1 4.29Å; E602-L606 WeakPolarHBondContact O-CB 3.32Å; E602-L606 VanDerWaalsContact O-CG 3.3Å; E602-L606 WeakPolarHBondContact O-CG 3.41Å; E602-L606 PolarHBondContact O-N 3.05Å; T603-L606 PolarHBondContact O-N 3.05Å; L606-A608 PolarHBondContact O-N 3.49Å; L606-Y609 PolarHBondContact O-N 3.38Å; L606-F610 HydrophobicContact CB-CD2 4.41Å; L606-F610 HydrophobicContact CB-CE2 4.27Å; L606-F610 HydrophobicContact CD2-CE2 4.26Å; L606-F610 WeakPolarHBondContact O-CD2 3.34Å; L606-F610 PolarHBondContact O-N 2.96Å; L606-L626 HydrophobicContact CB-CD1 3.9Å
607	R	98.3	Very high	97.4	Very high	72 Å²	72	47.1 Å²	47.1	27%	0.272	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-46.7	175.9	-178.1	164.7	-68.4	-69.8	-2.4	111.5	T603 K604 T611 E623 L626 E630	T603-R607 WeakPolarHBondContact O-CB 3.48Å; T603-R607 PolarHBondContact O-N 3.25Å; K604-R607 PolarHBondContact O-N 3.01Å; R607-T611 VanDerWaalsContact O-CB 3.26Å; R607-T611 WeakPolarHBondContact O-CB 3.49Å; R607-T611 PolarHBondContact O-N 2.79Å; R607-T611 PolarHBondContact O-OG1 2.95Å; R607-E623 IonicContact CZ-OE1 2.74Å; R607-E623 IonicContact NH1-OE1 3.53Å; R607-E623 PolarHBondContact NH1-OE1 2.96Å; R607-E623 IonicContact NH2-OE1 3.2Å; R607-E623 PolarHBondContact NH2-OE1 3.15Å; R607-L626 HydrophobicContact CB-CD2 3.95Å; R607-L626 HydrophobicContact CG-CD2 4.38Å; R607-E630 IonicContact CZ-OE1 3.39Å; R607-E630 IonicContact CZ-OE2 3.42Å; R607-E630 IonicContact NE-OE1 2.71Å; R607-E630 PolarHBondContact NE-OE1 3.36Å; R607-E630 IonicContact NE-OE2 3.4Å; R607-E630 PolarHBondContact NE-OE2 3.32Å; R607-E630 VanDerWaalsContact NH2-CD 3.3Å; R607-E630 IonicContact NH2-OE1 2.68Å; R607-E630 PolarHBondContact NH2-OE1 3.47Å; R607-E630 IonicContact NH2-OE2 3.6Å; R607-E630 PolarHBondContact NH2-OE2 3Å
608	A	97.1	Very high	97.4	Very high	38 Å²	38	43.8 Å²	43.8	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-46.8	176	0	0	0	0	0	111.1	K604 E605 L606 Q612	K604-A608 WeakPolarHBondContact O-CB 3.43Å; K604-A608 PolarHBondContact O-N 3.05Å; E605-A608 PolarHBondContact O-N 3.33Å; L606-A608 PolarHBondContact O-N 3.49Å; A608-Q612 VanDerWaalsContact O-CB 3.27Å; A608-Q612 WeakPolarHBondContact O-CB 3.28Å; A608-Q612 WeakPolarHBondContact O-CG 3.1Å; A608-Q612 PolarHBondContact O-N 3.32Å
609	Y	97.7	Very high	97.5	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-54	178	172.7	-105.1	0	0	0	112.6	L121 H485 E605 L606 T611 Q612 Q613	L121-Y609 WeakPolarHBondContact CD2-OH 3.42Å; H485-Y609 HydrophobicContact CB-CD2 3.92Å; H485-Y609 HydrophobicContact CB-CE1 4.15Å; H485-Y609 HydrophobicContact CB-CE2 3.44Å; H485-Y609 VanDerWaalsContact CB-CE2 3.44Å; H485-Y609 HydrophobicContact CB-CG 4.45Å; H485-Y609 AromaticContact CD2-CD2 3.48Å; H485-Y609 VanDerWaalsContact CD2-CD2 3.48Å; H485-Y609 WeakPolarHBondContact CD2-CD2 3.4Å; H485-Y609 AromaticContact CD2-CE2 3.93Å; H485-Y609 AromaticContact CD2-CG 3.85Å; H485-Y609 AromaticContact CE1-CD1 3.91Å; H485-Y609 AromaticContact CE1-CD2 3.99Å; H485-Y609 AromaticContact CE1-CG 3.53Å; H485-Y609 AromaticContact CG-CD2 3.43Å; H485-Y609 VanDerWaalsContact CG-CD2 3.43Å; H485-Y609 AromaticContact CG-CE2 3.51Å; H485-Y609 AromaticContact CG-CG 3.67Å; H485-Y609 AromaticContact CG-CZ 3.84Å; H485-Y609 AromaticContact ND1-CD1 3.53Å; H485-Y609 AromaticContact ND1-CD2 3.76Å; H485-Y609 AromaticContact ND1-CE1 3.84Å; H485-Y609 AromaticContact ND1-CG 3.47Å; H485-Y609 AromaticContact NE2-CD2 3.89Å; H485-Y609 AromaticContact NE2-CG 3.82Å; E605-Y609 VanDerWaalsContact O-CB 3.32Å; E605-Y609 WeakPolarHBondContact O-CB 3.46Å; E605-Y609 PolarHBondContact O-N 3.39Å; L606-Y609 PolarHBondContact O-N 3.38Å; Y609-T611 PolarHBondContact O-N 2.85Å; Y609-Q612 PolarHBondContact O-N 2.92Å; Y609-Q613 HydrophobicContact CD2-CB 4.17Å; Y609-Q613 HydrophobicContact CD2-CG 3.65Å; Y609-Q613 HydrophobicContact CE2-CB 3.94Å; Y609-Q613 HydrophobicContact CE2-CG 3.61Å; Y609-Q613 VanDerWaalsContact O-CB 3.27Å; Y609-Q613 WeakPolarHBondContact O-CB 3.48Å; Y609-Q613 PolarHBondContact O-N 3.25Å
610	F	98.1	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-40.6	-177.8	-71.2	-52.2	0	0	0	112.1	F463 A466 F498 L606 Q612 V614 G615 L618 V622 L626	F463-F610 HydrophobicContact CD2-CE2 4.48Å; F463-F610 HydrophobicContact CE2-CE2 4.04Å; A466-F610 HydrophobicContact CB-CE1 4.04Å; A466-F610 HydrophobicContact CB-CZ 3.87Å; F498-F610 HydrophobicContact CE1-CE1 4.47Å; L606-F610 HydrophobicContact CB-CD2 4.41Å; L606-F610 HydrophobicContact CB-CE2 4.27Å; L606-F610 HydrophobicContact CD2-CE2 4.26Å; L606-F610 WeakPolarHBondContact O-CD2 3.34Å; L606-F610 PolarHBondContact O-N 2.96Å; F610-Q612 PolarHBondContact O-N 2.84Å; F610-V614 HydrophobicContact CD1-CG2 3.97Å; F610-V614 WeakPolarHBondContact O-CA 3.5Å; F610-V614 WeakPolarHBondContact O-CB 3.44Å; F610-V614 PolarHBondContact O-N 3.26Å; F610-G615 PolarHBondContact O-N 3.34Å; F610-L618 HydrophobicContact CB-CD1 4.2Å; F610-L618 HydrophobicContact CB-CD2 3.92Å; F610-L618 HydrophobicContact CD1-CD1 3.79Å; F610-L618 HydrophobicContact CE1-CD1 4.38Å; F610-L618 HydrophobicContact CG-CD1 4.06Å; F610-L618 HydrophobicContact CG-CD2 4.42Å; F610-V622 HydrophobicContact CZ-CG1 4.38Å; F610-L626 HydrophobicContact CD2-CD2 4.16Å
611	T	96.4	Very high	97.5	Very high	77 Å²	77	46.9 Å²	46.9	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175.8	-56.3	0	0	0	0	111.3	R607 Y609 G615	R607-T611 VanDerWaalsContact O-CB 3.26Å; R607-T611 WeakPolarHBondContact O-CB 3.49Å; R607-T611 PolarHBondContact O-N 2.79Å; R607-T611 PolarHBondContact O-OG1 2.95Å; Y609-T611 PolarHBondContact O-N 2.85Å; T611-G615 WeakPolarHBondContact O-CA 3.42Å; T611-G615 PolarHBondContact O-N 3.5Å
612	Q	96.2	Very high	97.5	Very high	89 Å²	89	41 Å²	41	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-78.4	-41	-174.9	-70.2	174.8	14	0	0	113.3	P113 A114 A608 Y609 F610	P113-Q612 CarbonylContact C-O 3.5Å; P113-Q612 VanDerWaalsContact CA-O 3.22Å; P113-Q612 WeakPolarHBondContact CA-O 3.42Å; P113-Q612 WeakPolarHBondContact CB-O 3.4Å; A114-Q612 PolarHBondContact N-O 3.16Å; A608-Q612 VanDerWaalsContact O-CB 3.27Å; A608-Q612 WeakPolarHBondContact O-CB 3.28Å; A608-Q612 WeakPolarHBondContact O-CG 3.1Å; A608-Q612 PolarHBondContact O-N 3.32Å; Y609-Q612 PolarHBondContact O-N 2.92Å; F610-Q612 PolarHBondContact O-N 2.84Å
613	Q	97.6	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-97.5	-23.5	-169.6	-63.2	-64.5	-49.1	0	0	113.6	P111 L121 Y609	P111-Q613 WeakPolarHBondContact CB-O 3.46Å; L121-Q613 HydrophobicContact CD1-CB 3.98Å; L121-Q613 WeakPolarHBondContact CD1-O 3.47Å; Y609-Q613 HydrophobicContact CD2-CB 4.17Å; Y609-Q613 HydrophobicContact CD2-CG 3.65Å; Y609-Q613 HydrophobicContact CE2-CB 3.94Å; Y609-Q613 HydrophobicContact CE2-CG 3.61Å; Y609-Q613 VanDerWaalsContact O-CB 3.27Å; Y609-Q613 WeakPolarHBondContact O-CB 3.48Å; Y609-Q613 PolarHBondContact O-N 3.25Å
614	V	97.3	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-42.2	-177.2	-162.4	0	0	0	0	111.1	P111 L121 F498 F610 A616 D617 L618	P111-V614 HydrophobicContact CB-CG1 4.44Å; P111-V614 HydrophobicContact CG-CG1 4.22Å; L121-V614 HydrophobicContact CD1-CG2 4.16Å; F498-V614 HydrophobicContact CD1-CG2 3.78Å; F498-V614 HydrophobicContact CE1-CG2 3.99Å; F610-V614 HydrophobicContact CD1-CG2 3.97Å; F610-V614 WeakPolarHBondContact O-CA 3.5Å; F610-V614 WeakPolarHBondContact O-CB 3.44Å; F610-V614 PolarHBondContact O-N 3.26Å; V614-A616 PolarHBondContact O-N 3.3Å; V614-D617 HydrophobicContact CG1-CB 4.19Å; V614-D617 PolarHBondContact O-N 2.96Å; V614-D617 VanDerWaalsContact O-N 3.14Å; V614-L618 HydrophobicContact CB-CB 4.24Å; V614-L618 HydrophobicContact CB-CD1 4.31Å; V614-L618 HydrophobicContact CG1-CB 3.91Å; V614-L618 HydrophobicContact CG1-CD1 4.14Å
615	G	94.9	Very high	97.6	Very high	27 Å²	27	41.3 Å²	41.3	28%	0.278	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	56.2	-125.5	174.3	0	0	0	0	0	112.1	F610 T611 D617 L618	F610-G615 PolarHBondContact O-N 3.34Å; T611-G615 WeakPolarHBondContact O-CA 3.42Å; T611-G615 PolarHBondContact O-N 3.5Å; G615-D617 PolarHBondContact O-N 3.45Å; G615-L618 WeakPolarHBondContact O-CB 3.19Å; G615-L618 PolarHBondContact O-N 3.23Å
616	A	95.7	Very high	97.7	Very high	93 Å²	93	37.7 Å²	37.7	77%	0.769	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-67.6	-14.4	-177.1	0	0	0	0	0	114.4	V614 L618	V614-A616 PolarHBondContact O-N 3.3Å; A616-L618 VanDerWaalsContact C-N 3.31Å
617	D	97.2	Very high	97.7	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.128	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-86.2	-2.7	177.2	-66.3	-32.6	0	0	0	112.7	R107 P111 N497 G499 V614 G615 P619	R107-D617 IonicContact CZ-OD1 3.28Å; R107-D617 IonicContact NE-OD1 3.52Å; R107-D617 PolarHBondContact NE-OD1 3.45Å; R107-D617 IonicContact NE-OD2 2.64Å; R107-D617 PolarHBondContact NE-OD2 2.88Å; R107-D617 IonicContact NH2-OD1 3.12Å; R107-D617 PolarHBondContact NH2-OD1 3.39Å; P111-D617 VanDerWaalsContact CA-OD2 3.29Å; P111-D617 WeakPolarHBondContact CA-OD2 3.45Å; P111-D617 HydrophobicContact CB-CB 4.18Å; N497-D617 PolarHBondContact ND2-OD2 3.31Å; G499-D617 WeakPolarHBondContact CA-O 3.1Å; V614-D617 HydrophobicContact CG1-CB 4.19Å; V614-D617 PolarHBondContact O-N 2.96Å; V614-D617 VanDerWaalsContact O-N 3.14Å; G615-D617 PolarHBondContact O-N 3.45Å; D617-P619 VanDerWaalsContact O-CD 3.29Å; D617-P619 WeakPolarHBondContact O-CD 3.26Å
618	L	98.3	Very high	97.7	Very high	26 Å²	26	41.1 Å²	41.1	14%	0.136	25%	0.25	C	S	.	.	S	Bend	trans	-70.1	121.1	179.8	-174.2	70.9	0	0	0	109.9	L502 F610 V614 G615 A616 A620 V622 E623	L502-L618 HydrophobicContact CD1-CD1 4.31Å; F610-L618 HydrophobicContact CB-CD1 4.2Å; F610-L618 HydrophobicContact CB-CD2 3.92Å; F610-L618 HydrophobicContact CD1-CD1 3.79Å; F610-L618 HydrophobicContact CE1-CD1 4.38Å; F610-L618 HydrophobicContact CG-CD1 4.06Å; F610-L618 HydrophobicContact CG-CD2 4.42Å; V614-L618 HydrophobicContact CB-CB 4.24Å; V614-L618 HydrophobicContact CB-CD1 4.31Å; V614-L618 HydrophobicContact CG1-CB 3.91Å; V614-L618 HydrophobicContact CG1-CD1 4.14Å; G615-L618 WeakPolarHBondContact O-CB 3.19Å; G615-L618 PolarHBondContact O-N 3.23Å; A616-L618 VanDerWaalsContact C-N 3.31Å; L618-A620 PolarHBondContact O-N 2.87Å; L618-V622 HydrophobicContact CD1-CB 4.12Å; L618-V622 HydrophobicContact CD1-CG1 3.89Å; L618-E623 HydrophobicContact CD2-CB 4.01Å; L618-E623 VanDerWaalsContact CD2-OE2 3.24Å; L618-E623 WeakPolarHBondContact CD2-OE2 3.43Å
619	P	98.5	Very high	97.8	Very high	16 Å²	16	39.5 Å²	39.5	10%	0.104	24%	0.236	C	C	.	.			trans	-62.2	137.6	177.1	-23.2	34.7	0	0	0	111.4	L502 A503 L506 D617 Q621 V622 E623	L502-P619 HydrophobicContact CB-CG 3.76Å; A503-P619 HydrophobicContact CB-CG 4.2Å; L506-P619 HydrophobicContact CD1-CB 3.72Å; L506-P619 HydrophobicContact CD1-CG 4.21Å; D617-P619 VanDerWaalsContact O-CD 3.29Å; D617-P619 WeakPolarHBondContact O-CD 3.26Å; P619-Q621 PolarHBondContact O-N 3.23Å; P619-Q621 VanDerWaalsContact O-N 3.1Å; P619-V622 HydrophobicContact CB-CG2 4.26Å; P619-V622 HydrophobicContact CG-CG2 4.39Å; P619-V622 PolarHBondContact O-N 3.48Å; P619-E623 PolarHBondContact O-N 3.35Å
620	A	98.4	Very high	97.8	Very high	71 Å²	71	40.5 Å²	40.5	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-56.8	-30.7	-178.5	0	0	0	0	0	113	L618 E623 T624	L618-A620 PolarHBondContact O-N 2.87Å; A620-E623 PolarHBondContact O-N 3.41Å; A620-T624 WeakPolarHBondContact O-CB 3.36Å; A620-T624 PolarHBondContact O-N 2.64Å; A620-T624 PolarHBondContact O-OG1 2.88Å
621	Q	98.6	Very high	97.8	Very high	83 Å²	83	45 Å²	45	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-39.5	174.8	-64.3	90.5	-22.7	0	0	112.2	Q459 L506 P619 T624 E625	Q459-Q621 HydrophobicContact CG-CB 4Å; L506-Q621 HydrophobicContact CD1-CB 3.81Å; L506-Q621 HydrophobicContact CD1-CG 4.31Å; L506-Q621 HydrophobicContact CD2-CB 4.15Å; P619-Q621 PolarHBondContact O-N 3.23Å; P619-Q621 VanDerWaalsContact O-N 3.1Å; Q621-T624 WeakPolarHBondContact O-CB 3.48Å; Q621-T624 PolarHBondContact O-N 3.34Å; Q621-E625 WeakPolarHBondContact O-CG 3.1Å; Q621-E625 PolarHBondContact O-N 2.69Å; Q621-E625 VanDerWaalsContact O-N 3.09Å
622	V	98.7	Very high	97.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-40.3	178.5	-178.5	0	0	0	0	110.5	F463 L502 L506 F610 L618 P619 T624 E625 L626	F463-V622 HydrophobicContact CD2-CG1 3.99Å; L502-V622 HydrophobicContact CB-CG2 4.46Å; L502-V622 HydrophobicContact CD1-CG2 4.32Å; L506-V622 HydrophobicContact CD1-CG2 4.11Å; F610-V622 HydrophobicContact CZ-CG1 4.38Å; L618-V622 HydrophobicContact CD1-CB 4.12Å; L618-V622 HydrophobicContact CD1-CG1 3.89Å; P619-V622 HydrophobicContact CB-CG2 4.26Å; P619-V622 HydrophobicContact CG-CG2 4.39Å; P619-V622 PolarHBondContact O-N 3.48Å; V622-T624 VanDerWaalsContact C-N 3.27Å; V622-T624 PolarHBondContact O-N 3.35Å; V622-E625 PolarHBondContact O-N 2.92Å; V622-L626 PolarHBondContact O-N 3.04Å
623	E	98.4	Very high	97.9	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-38.8	172.6	-178	59.4	-152.4	0	0	111.6	R607 L618 P619 A620 L626 K627	R607-E623 IonicContact CZ-OE1 2.74Å; R607-E623 IonicContact NH1-OE1 3.53Å; R607-E623 PolarHBondContact NH1-OE1 2.96Å; R607-E623 IonicContact NH2-OE1 3.2Å; R607-E623 PolarHBondContact NH2-OE1 3.15Å; L618-E623 HydrophobicContact CD2-CB 4.01Å; L618-E623 VanDerWaalsContact CD2-OE2 3.24Å; L618-E623 WeakPolarHBondContact CD2-OE2 3.43Å; P619-E623 PolarHBondContact O-N 3.35Å; A620-E623 PolarHBondContact O-N 3.41Å; E623-L626 PolarHBondContact O-N 3.32Å; E623-K627 PolarHBondContact O-N 3.27Å
624	T	98.6	Very high	97.6	Very high	80 Å²	80	45.4 Å²	45.4	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.3	-60.2	0	0	0	0	111.4	A620 Q621 V622 K627 A628	A620-T624 WeakPolarHBondContact O-CB 3.36Å; A620-T624 PolarHBondContact O-N 2.64Å; A620-T624 PolarHBondContact O-OG1 2.88Å; Q621-T624 WeakPolarHBondContact O-CB 3.48Å; Q621-T624 PolarHBondContact O-N 3.34Å; V622-T624 VanDerWaalsContact C-N 3.27Å; V622-T624 PolarHBondContact O-N 3.35Å; T624-K627 PolarHBondContact O-N 3.23Å; T624-A628 VanDerWaalsContact O-CB 3.28Å; T624-A628 WeakPolarHBondContact O-CB 3.49Å; T624-A628 PolarHBondContact O-N 3.02Å
625	E	98.8	Very high	97.2	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-37.3	176.1	-68.6	-58.3	150.9	0	0	112.7	Q459 H460 F463 Q621 V622 A628 L629	Q459-E625 HydrophobicContact CG-CG 3.89Å; Q459-E625 PolarHBondContact NE2-OE1 2.51Å; H460-E625 IonicContact CD2-OE2 2.76Å; H460-E625 PolarHBondContact CD2-OE2 3.14Å; H460-E625 VanDerWaalsContact CD2-OE2 3.29Å; H460-E625 IonicContact CG-OE2 3.06Å; F463-E625 HydrophobicContact CB-CB 3.53Å; F463-E625 HydrophobicContact CB-CG 3.89Å; F463-E625 HydrophobicContact CD1-CB 3.97Å; F463-E625 HydrophobicContact CD2-CB 3.86Å; F463-E625 HydrophobicContact CG-CB 3.5Å; F463-E625 VanDerWaalsContact CG-CB 3.5Å; F463-E625 HydrophobicContact CG-CG 4.38Å; Q621-E625 WeakPolarHBondContact O-CG 3.1Å; Q621-E625 PolarHBondContact O-N 2.69Å; Q621-E625 VanDerWaalsContact O-N 3.09Å; V622-E625 PolarHBondContact O-N 2.92Å; E625-A628 PolarHBondContact O-N 2.97Å; E625-L629 PolarHBondContact O-N 3.37Å
626	L	98.7	Very high	97.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-50.7	173.7	176	62.5	0	0	0	111.2	F463 L606 R607 F610 V622 E623 A628 L629 E630	F463-L626 HydrophobicContact CE2-CB 3.78Å; F463-L626 HydrophobicContact CE2-CD1 4.16Å; F463-L626 HydrophobicContact CZ-CB 4.39Å; F463-L626 HydrophobicContact CZ-CD1 4.23Å; L606-L626 HydrophobicContact CB-CD1 3.9Å; R607-L626 HydrophobicContact CB-CD2 3.95Å; R607-L626 HydrophobicContact CG-CD2 4.38Å; F610-L626 HydrophobicContact CD2-CD2 4.16Å; V622-L626 PolarHBondContact O-N 3.04Å; E623-L626 PolarHBondContact O-N 3.32Å; L626-A628 VanDerWaalsContact C-N 3.3Å; L626-A628 PolarHBondContact O-N 3.35Å; L626-L629 PolarHBondContact O-N 2.97Å; L626-E630 WeakPolarHBondContact O-CG 3.5Å; L626-E630 PolarHBondContact O-N 2.91Å
627	K	98.6	Very high	97.4	Very high	119 Å²	119	49.4 Å²	49.4	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-43.8	177	-173.4	-167.4	175.4	80.4	0	111	E623 T624 L629 E630 D631	E623-K627 PolarHBondContact O-N 3.27Å; T624-K627 PolarHBondContact O-N 3.23Å; K627-L629 VanDerWaalsContact C-N 3.3Å; K627-L629 PolarHBondContact O-N 2.89Å; K627-E630 WeakPolarHBondContact O-CB 3.43Å; K627-E630 PolarHBondContact O-N 2.84Å; K627-E630 VanDerWaalsContact O-N 3.17Å; K627-D631 VanDerWaalsContact O-CG 3.3Å; K627-D631 PolarHBondContact O-N 3.18Å
628	A	98.6	Very high	97.4	Very high	28 Å²	28	50.8 Å²	50.8	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-35	178.6	0	0	0	0	0	112.2	T624 E625 L626 R632	T624-A628 VanDerWaalsContact O-CB 3.28Å; T624-A628 WeakPolarHBondContact O-CB 3.49Å; T624-A628 PolarHBondContact O-N 3.02Å; E625-A628 PolarHBondContact O-N 2.97Å; L626-A628 VanDerWaalsContact C-N 3.3Å; L626-A628 PolarHBondContact O-N 3.35Å; A628-R632 VanDerWaalsContact C-NH1 3.33Å; A628-R632 VanDerWaalsContact CB-NH1 3.34Å; A628-R632 VanDerWaalsContact O-CG 3.23Å; A628-R632 WeakPolarHBondContact O-CG 3.41Å; A628-R632 PolarHBondContact O-N 2.93Å; A628-R632 VanDerWaalsContact O-N 3.12Å; A628-R632 PolarHBondContact O-NH1 2.95Å
629	L	98.6	Very high	97.4	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-66	-44.5	172.3	176.4	62.1	0	0	0	111.4	F463 Y567 I568 W599 T603 E625 L626 K627 R632 V633	F463-L629 HydrophobicContact CE1-CB 4.48Å; F463-L629 HydrophobicContact CE1-CD2 3.93Å; F463-L629 HydrophobicContact CZ-CD2 3.93Å; Y567-L629 WeakPolarHBondContact O-CD1 3.43Å; I568-L629 HydrophobicContact CG2-CD1 4.1Å; W599-L629 HydrophobicContact CE3-CD2 4.35Å; W599-L629 HydrophobicContact CZ3-CD2 4.36Å; T603-L629 HydrophobicContact CG2-CB 4.47Å; T603-L629 HydrophobicContact CG2-CD2 3.71Å; T603-L629 HydrophobicContact CG2-CG 3.67Å; E625-L629 PolarHBondContact O-N 3.37Å; L626-L629 PolarHBondContact O-N 2.97Å; K627-L629 VanDerWaalsContact C-N 3.3Å; K627-L629 PolarHBondContact O-N 2.89Å; L629-R632 PolarHBondContact O-N 2.98Å; L629-V633 HydrophobicContact CD1-CG2 3.88Å; L629-V633 HydrophobicContact CG-CG2 4.31Å; L629-V633 WeakPolarHBondContact O-CB 3.21Å; L629-V633 VanDerWaalsContact O-CG2 3.22Å; L629-V633 WeakPolarHBondContact O-CG2 3.32Å; L629-V633 PolarHBondContact O-N 3.19Å
630	E	98.4	Very high	97.3	Very high	30 Å²	30	54.6 Å²	54.6	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-50.2	175.5	-71.7	169.6	163.3	0	0	111.3	T603 R607 L626 K627 R632 V633 H634	T603-E630 HydrophobicContact CG2-CG 3.86Å; R607-E630 IonicContact CZ-OE1 3.39Å; R607-E630 IonicContact CZ-OE2 3.42Å; R607-E630 IonicContact NE-OE1 2.71Å; R607-E630 PolarHBondContact NE-OE1 3.36Å; R607-E630 IonicContact NE-OE2 3.4Å; R607-E630 PolarHBondContact NE-OE2 3.32Å; R607-E630 VanDerWaalsContact NH2-CD 3.3Å; R607-E630 IonicContact NH2-OE1 2.68Å; R607-E630 PolarHBondContact NH2-OE1 3.47Å; R607-E630 IonicContact NH2-OE2 3.6Å; R607-E630 PolarHBondContact NH2-OE2 3Å; L626-E630 WeakPolarHBondContact O-CG 3.5Å; L626-E630 PolarHBondContact O-N 2.91Å; K627-E630 WeakPolarHBondContact O-CB 3.43Å; K627-E630 PolarHBondContact O-N 2.84Å; K627-E630 VanDerWaalsContact O-N 3.17Å; E630-R632 VanDerWaalsContact C-N 3.31Å; E630-R632 PolarHBondContact O-N 3.17Å; E630-V633 PolarHBondContact O-N 3.37Å; E630-V633 VanDerWaalsContact O-N 3.13Å; E630-H634 WeakPolarHBondContact O-CB 3.42Å; E630-H634 PolarHBondContact O-CD2 2.92Å; E630-H634 PolarHBondContact O-N 3.18Å
631	D	98.1	Very high	97.3	Very high	94 Å²	94	53.5 Å²	53.5	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-58	-43.9	179.3	-67.2	-22.1	0	0	0	111.1	K627 V633 H634 A635	K627-D631 VanDerWaalsContact O-CG 3.3Å; K627-D631 PolarHBondContact O-N 3.18Å; D631-V633 PolarHBondContact O-N 3.41Å; D631-H634 PolarHBondContact O-N 2.91Å; D631-A635 WeakPolarHBondContact O-CB 3.36Å; D631-A635 PolarHBondContact O-N 3.05Å
632	R	97.9	Very high	97.2	Very high	65 Å²	65	51.4 Å²	51.4	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-30	178.1	-68.3	-176.2	-53.8	-98.3	7.9	113.9	Y567 A628 L629 E630	Y567-R632 PolarHBondContact O-NE 3.17Å; Y567-R632 PolarHBondContact O-NH2 3.29Å; A628-R632 VanDerWaalsContact C-NH1 3.33Å; A628-R632 VanDerWaalsContact CB-NH1 3.34Å; A628-R632 VanDerWaalsContact O-CG 3.23Å; A628-R632 WeakPolarHBondContact O-CG 3.41Å; A628-R632 PolarHBondContact O-N 2.93Å; A628-R632 VanDerWaalsContact O-N 3.12Å; A628-R632 PolarHBondContact O-NH1 2.95Å; L629-R632 PolarHBondContact O-N 2.98Å; E630-R632 VanDerWaalsContact C-N 3.31Å; E630-R632 PolarHBondContact O-N 3.17Å
633	V	95.9	Very high	97	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-79.1	-29.4	178.6	168.2	0	0	0	0	111.3	Y567 W599 Q600 L629 E630 D631	Y567-V633 HydrophobicContact CD2-CG2 3.59Å; Y567-V633 HydrophobicContact CE2-CG2 3.84Å; Y567-V633 HydrophobicContact CG-CG2 4.35Å; W599-V633 HydrophobicContact CB-CG1 4.15Å; W599-V633 HydrophobicContact CB-CG2 3.94Å; Q600-V633 HydrophobicContact CB-CG1 4.34Å; Q600-V633 HydrophobicContact CG-CG1 3.44Å; Q600-V633 VanDerWaalsContact CG-CG1 3.44Å; L629-V633 HydrophobicContact CD1-CG2 3.88Å; L629-V633 HydrophobicContact CG-CG2 4.31Å; L629-V633 WeakPolarHBondContact O-CB 3.21Å; L629-V633 VanDerWaalsContact O-CG2 3.22Å; L629-V633 WeakPolarHBondContact O-CG2 3.32Å; L629-V633 PolarHBondContact O-N 3.19Å; E630-V633 PolarHBondContact O-N 3.37Å; E630-V633 VanDerWaalsContact O-N 3.13Å; D631-V633 PolarHBondContact O-N 3.41Å
634	H	91.8	Very high	96.9	Very high	112 Å²	112	54.6 Å²	54.6	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-91.1	-20.1	-179.3	-71.7	-59.4	0	0	0	114.6	E630 D631	E630-H634 WeakPolarHBondContact O-CB 3.42Å; E630-H634 PolarHBondContact O-CD2 2.92Å; E630-H634 PolarHBondContact O-N 3.18Å; D631-H634 PolarHBondContact O-N 2.91Å
635	A	89.2	Confident	96.8	Very high	105 Å²	105	52.3 Å²	52.3	87%	0.868	28%	0.284	S	S	*	.			trans	-66.4	0	162.8	0	0	0	0	0	111.2	K596 D631	K596-A635 PolarHBondContact NZ-OXT 3.02Å; D631-A635 WeakPolarHBondContact O-CB 3.36Å; D631-A635 PolarHBondContact O-N 3.05Å

Retrieved 635 of 635 residues in 1653.3 ms (Link to these results)

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